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 2jcv_1_A DATA FIRST_RESID 11 DATA SEQUENCE GRLRVVVLGS TGSIGTQALQ VIADNPDRFE VVGLAAGGAH LDTLLRQRAQ DATA SEQUENCE TGVTNIAVAD EHAAQRVGDI PYHGSDAATR LVEQTEADVV LNALVGALGL DATA SEQUENCE RPTLAALKTG ARLALANKES LVAGGSLVLR AARPGQIVPV DSEHSALAQC DATA SEQUENCE LRGGTPDEVA KLVLTASGGP FRGWSAADLE HVTPEQAGAH PTWSMGPMNT DATA SEQUENCE LNSASLVNKG LEVIETHLLF GIPYDRIDVV VHPQSIIHSM VTFIDGSTIA DATA SEQUENCE QASPPDMKLP ISLALGWPRR VSGAAAACDF HTASSWEFEP LDTDVFPAVE DATA SEQUENCE LARQAGVAGG CMTAVYNAAN EEAAAAFLAG RIGFPAIVGI IADVLHAADQ DATA SEQUENCE WAVEPATVDD VLDAQRWARE RAQRAVSGM 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 11 G HA2 0.000 nan 3.960 nan 0.000 0.244 11 G HA3 0.000 3.957 3.960 -0.005 0.000 0.244 11 G C 0.000 174.879 174.900 -0.035 0.000 0.946 11 G CA 0.000 45.086 45.100 -0.023 0.000 0.502 12 R N 0.980 121.465 120.500 -0.025 0.000 2.265 12 R HA 0.601 4.938 4.340 -0.005 0.000 0.314 12 R C 0.026 176.339 176.300 0.022 0.000 1.053 12 R CA -0.437 55.648 56.100 -0.026 0.000 0.931 12 R CB 0.470 30.762 30.300 -0.013 0.000 1.024 12 R HN 0.151 nan 8.270 nan 0.000 0.457 13 L N 5.409 126.668 121.223 0.060 0.000 2.319 13 L HA 0.348 4.685 4.340 -0.005 0.000 0.280 13 L C 0.345 177.307 176.870 0.153 0.000 1.099 13 L CA -0.302 54.621 54.840 0.138 0.000 0.828 13 L CB 1.090 43.298 42.059 0.249 0.000 1.150 13 L HN 0.530 nan 8.230 nan 0.000 0.442 14 R N 2.823 123.383 120.500 0.100 0.000 2.216 14 R HA 0.423 4.760 4.340 -0.005 0.000 0.332 14 R C -0.992 175.348 176.300 0.067 0.000 1.056 14 R CA -0.433 55.714 56.100 0.078 0.000 0.901 14 R CB 1.098 31.429 30.300 0.051 0.000 1.039 14 R HN 0.328 nan 8.270 nan 0.000 0.456 15 V N 4.322 124.271 119.914 0.059 0.000 2.409 15 V HA 0.253 4.370 4.120 -0.005 0.000 0.291 15 V C 0.042 176.139 176.094 0.004 0.000 1.020 15 V CA -0.941 61.372 62.300 0.021 0.000 0.848 15 V CB 1.839 33.656 31.823 -0.010 0.000 0.990 15 V HN 0.441 nan 8.190 nan 0.000 0.430 16 V N 5.710 125.617 119.914 -0.011 0.000 2.432 16 V HA 0.339 4.456 4.120 -0.005 0.000 0.275 16 V C 0.019 176.093 176.094 -0.033 0.000 1.043 16 V CA -0.337 61.952 62.300 -0.019 0.000 0.925 16 V CB 1.725 33.531 31.823 -0.029 0.000 0.985 16 V HN 0.645 nan 8.190 nan 0.000 0.466 17 V N 7.133 127.030 119.914 -0.028 0.000 2.334 17 V HA 0.416 4.534 4.120 -0.005 0.000 0.281 17 V C -0.105 175.971 176.094 -0.031 0.000 1.016 17 V CA -0.447 61.831 62.300 -0.036 0.000 0.832 17 V CB 1.229 33.031 31.823 -0.034 0.000 0.999 17 V HN 0.617 nan 8.190 nan 0.000 0.439 18 L N 4.080 125.279 121.223 -0.040 0.000 2.289 18 L HA 0.710 5.047 4.340 -0.005 0.000 0.285 18 L C 1.158 178.009 176.870 -0.033 0.000 1.049 18 L CA -0.251 54.568 54.840 -0.035 0.000 0.804 18 L CB 1.178 43.210 42.059 -0.045 0.000 1.195 18 L HN 0.874 nan 8.230 nan 0.000 0.428 19 G N 1.646 110.433 108.800 -0.021 0.000 2.289 19 G HA2 -0.287 3.671 3.960 -0.005 0.000 0.280 19 G HA3 -0.287 3.671 3.960 -0.005 0.000 0.280 19 G C 0.851 175.738 174.900 -0.022 0.000 1.089 19 G CA 0.443 45.532 45.100 -0.018 0.000 0.939 19 G HN 0.837 nan 8.290 nan 0.000 0.499 20 S N -1.158 114.533 115.700 -0.015 0.000 2.423 20 S HA -0.113 4.354 4.470 -0.005 0.000 0.231 20 S C 2.329 176.916 174.600 -0.022 0.000 1.014 20 S CA 2.066 60.255 58.200 -0.018 0.000 0.965 20 S CB -0.448 62.748 63.200 -0.007 0.000 0.785 20 S HN 1.446 nan 8.310 nan 0.000 0.495 21 T N -1.302 113.241 114.554 -0.018 0.000 3.088 21 T HA 0.355 4.702 4.350 -0.005 0.000 0.259 21 T C 1.112 175.761 174.700 -0.084 0.000 1.122 21 T CA 0.270 62.348 62.100 -0.037 0.000 1.095 21 T CB -0.498 68.368 68.868 -0.003 0.000 0.930 21 T HN 0.469 nan 8.240 nan 0.000 0.508 22 G N 0.609 109.370 108.800 -0.065 0.000 2.563 22 G HA2 0.366 4.323 3.960 -0.005 0.000 0.283 22 G HA3 0.366 4.323 3.960 -0.005 0.000 0.283 22 G C 1.033 175.892 174.900 -0.069 0.000 1.309 22 G CA 0.010 45.064 45.100 -0.076 0.000 1.022 22 G HN 0.168 nan 8.290 nan 0.000 0.501 23 S N -1.190 114.473 115.700 -0.062 0.000 2.353 23 S HA -0.154 4.313 4.470 -0.005 0.000 0.222 23 S C 2.335 176.911 174.600 -0.041 0.000 1.035 23 S CA 1.273 59.445 58.200 -0.047 0.000 1.025 23 S CB -0.345 62.831 63.200 -0.039 0.000 0.902 23 S HN 0.363 nan 8.310 nan 0.000 0.440 24 I N 1.716 122.256 120.570 -0.049 0.000 2.252 24 I HA -0.060 4.108 4.170 -0.005 0.000 0.245 24 I C 2.797 178.885 176.117 -0.049 0.000 1.102 24 I CA 1.481 62.749 61.300 -0.052 0.000 1.385 24 I CB -2.131 35.829 38.000 -0.067 0.000 1.064 24 I HN 0.487 nan 8.210 nan 0.000 0.414 25 G N 1.069 109.840 108.800 -0.049 0.000 2.440 25 G HA2 -0.299 3.658 3.960 -0.005 0.000 0.218 25 G HA3 -0.299 3.658 3.960 -0.005 0.000 0.218 25 G C 1.715 176.592 174.900 -0.038 0.000 1.154 25 G CA 1.779 46.852 45.100 -0.044 0.000 0.767 25 G HN 0.489 nan 8.290 nan 0.000 0.552 26 T N -1.180 113.352 114.554 -0.037 0.000 2.857 26 T HA -0.071 4.276 4.350 -0.005 0.000 0.266 26 T C 2.255 176.941 174.700 -0.022 0.000 1.048 26 T CA 1.492 63.575 62.100 -0.028 0.000 1.139 26 T CB -0.339 68.510 68.868 -0.032 0.000 0.874 26 T HN 0.416 nan 8.240 nan 0.000 0.455 27 Q N 1.116 120.903 119.800 -0.023 0.000 2.119 27 Q HA 0.113 4.450 4.340 -0.005 0.000 0.201 27 Q C 2.786 178.771 176.000 -0.025 0.000 0.972 27 Q CA 1.305 57.099 55.803 -0.015 0.000 0.847 27 Q CB -0.444 28.290 28.738 -0.007 0.000 0.903 27 Q HN 0.727 nan 8.270 nan 0.000 0.433 28 A N 1.062 123.856 122.820 -0.043 0.000 1.898 28 A HA -0.132 4.185 4.320 -0.005 0.000 0.216 28 A C 2.061 179.610 177.584 -0.059 0.000 1.181 28 A CA 0.945 52.940 52.037 -0.069 0.000 0.620 28 A CB -0.597 18.352 19.000 -0.085 0.000 0.819 28 A HN 0.273 nan 8.150 nan 0.000 0.442 29 L N -1.063 120.139 121.223 -0.034 0.000 2.083 29 L HA -0.249 4.088 4.340 -0.005 0.000 0.209 29 L C 2.843 179.716 176.870 0.004 0.000 1.083 29 L CA 1.617 56.449 54.840 -0.013 0.000 0.752 29 L CB -0.631 41.424 42.059 -0.007 0.000 0.899 29 L HN 0.512 nan 8.230 nan 0.000 0.433 30 Q N -0.690 119.112 119.800 0.003 0.000 2.079 30 Q HA -0.160 4.178 4.340 -0.005 0.000 0.200 30 Q C 2.343 178.362 176.000 0.032 0.000 0.974 30 Q CA 1.297 57.110 55.803 0.016 0.000 0.840 30 Q CB -0.029 28.716 28.738 0.012 0.000 0.898 30 Q HN 0.309 nan 8.270 nan 0.000 0.430 31 V N 0.705 120.632 119.914 0.022 0.000 2.343 31 V HA -0.269 3.848 4.120 -0.005 0.000 0.247 31 V C 2.032 178.198 176.094 0.120 0.000 1.051 31 V CA 1.634 63.964 62.300 0.050 0.000 1.036 31 V CB -0.413 31.405 31.823 -0.007 0.000 0.654 31 V HN 0.360 nan 8.190 nan 0.000 0.451 32 I N 0.405 121.022 120.570 0.078 0.000 2.252 32 I HA -0.201 3.966 4.170 -0.005 0.000 0.245 32 I C 2.674 178.884 176.117 0.155 0.000 1.102 32 I CA 1.413 62.818 61.300 0.174 0.000 1.385 32 I CB -0.634 37.414 38.000 0.081 0.000 1.064 32 I HN 0.263 nan 8.210 nan 0.000 0.414 33 A N 0.615 123.488 122.820 0.088 0.000 1.908 33 A HA -0.248 4.069 4.320 -0.005 0.000 0.218 33 A C 1.854 179.479 177.584 0.068 0.000 1.181 33 A CA 2.178 54.255 52.037 0.067 0.000 0.627 33 A CB -0.627 18.399 19.000 0.044 0.000 0.818 33 A HN 0.363 nan 8.150 nan 0.000 0.445 34 D N 0.083 120.529 120.400 0.077 0.000 2.348 34 D HA -0.027 4.610 4.640 -0.005 0.000 0.216 34 D C 0.068 176.416 176.300 0.079 0.000 0.970 34 D CA 0.644 54.686 54.000 0.070 0.000 0.889 34 D CB -0.135 40.705 40.800 0.067 0.000 0.912 34 D HN 0.424 nan 8.370 nan 0.000 0.524 35 N N 0.532 119.304 118.700 0.119 0.000 2.679 35 N HA 0.090 4.827 4.740 -0.005 0.000 0.302 35 N C -2.074 173.457 175.510 0.034 0.000 1.941 35 N CA -0.803 52.295 53.050 0.080 0.000 0.875 35 N CB 1.954 40.527 38.487 0.143 0.000 1.278 35 N HN 0.073 nan 8.380 nan 0.000 0.490 36 P HA -0.124 nan 4.420 nan 0.000 0.222 36 P C 0.766 178.043 177.300 -0.037 0.000 1.147 36 P CA 1.110 64.222 63.100 0.019 0.000 0.790 36 P CB 0.315 32.027 31.700 0.020 0.000 0.780 37 D N 0.271 120.627 120.400 -0.073 0.000 2.149 37 D HA -0.172 4.465 4.640 -0.005 0.000 0.198 37 D C 1.794 177.976 176.300 -0.197 0.000 0.990 37 D CA 1.027 54.962 54.000 -0.109 0.000 0.839 37 D CB -0.327 40.413 40.800 -0.099 0.000 0.948 37 D HN 0.222 nan 8.370 nan 0.000 0.460 38 R N -0.382 119.894 120.500 -0.374 0.000 2.167 38 R HA 0.226 4.563 4.340 -0.005 0.000 0.201 38 R C 0.340 176.216 176.300 -0.707 0.000 1.024 38 R CA 0.232 55.894 56.100 -0.730 0.000 1.053 38 R CB 0.395 29.859 30.300 -1.395 0.000 0.987 38 R HN 0.231 nan 8.270 nan 0.000 0.493 39 F N 1.204 121.163 119.950 0.015 0.000 2.565 39 F HA 0.325 4.849 4.527 -0.004 0.000 0.313 39 F C -0.224 175.584 175.800 0.013 0.000 1.091 39 F CA -1.283 56.727 58.000 0.016 0.000 0.915 39 F CB 1.919 40.930 39.000 0.018 0.000 1.208 39 F HN -0.120 nan 8.300 nan 0.000 0.453 40 E N 0.898 121.221 120.200 0.205 0.000 2.234 40 E HA 0.621 4.968 4.350 -0.005 0.000 0.266 40 E C -1.675 174.984 176.600 0.097 0.000 0.877 40 E CA -1.065 55.408 56.400 0.122 0.000 0.758 40 E CB 2.258 32.003 29.700 0.075 0.000 1.170 40 E HN 0.363 nan 8.360 nan 0.000 0.415 41 V N 3.453 123.409 119.914 0.071 0.000 2.521 41 V HA 0.045 4.162 4.120 -0.005 0.000 0.286 41 V C 0.984 177.102 176.094 0.040 0.000 1.034 41 V CA 0.103 62.429 62.300 0.043 0.000 1.045 41 V CB 0.864 32.705 31.823 0.031 0.000 0.974 41 V HN 0.763 nan 8.190 nan 0.000 0.480 42 V N 1.261 121.196 119.914 0.034 0.000 3.432 42 V HA 0.751 4.868 4.120 -0.005 0.000 0.298 42 V C 0.548 176.662 176.094 0.033 0.000 1.464 42 V CA 0.531 62.851 62.300 0.034 0.000 1.046 42 V CB 0.287 32.130 31.823 0.034 0.000 0.887 42 V HN 0.983 nan 8.190 nan 0.000 0.441 43 G N 0.479 109.294 108.800 0.026 0.000 2.733 43 G HA2 0.650 4.607 3.960 -0.005 0.000 0.297 43 G HA3 0.650 4.607 3.960 -0.005 0.000 0.297 43 G C -1.857 173.053 174.900 0.016 0.000 1.452 43 G CA -0.683 44.433 45.100 0.026 0.000 0.940 43 G HN 0.228 nan 8.290 nan 0.000 0.547 44 L N 0.775 122.014 121.223 0.027 0.000 2.408 44 L HA 0.843 5.180 4.340 -0.005 0.000 0.268 44 L C 0.113 176.999 176.870 0.026 0.000 0.986 44 L CA -1.012 53.840 54.840 0.020 0.000 0.820 44 L CB 2.348 44.423 42.059 0.026 0.000 1.303 44 L HN 0.811 nan 8.230 nan 0.000 0.411 45 A N 2.283 125.110 122.820 0.012 0.000 2.386 45 A HA 1.006 5.323 4.320 -0.005 0.000 0.311 45 A C -0.868 176.726 177.584 0.017 0.000 1.068 45 A CA -0.215 51.832 52.037 0.016 0.000 0.743 45 A CB 1.938 20.932 19.000 -0.009 0.000 1.258 45 A HN 0.849 nan 8.150 nan 0.000 0.429 46 A N 0.478 123.316 122.820 0.031 0.000 2.583 46 A HA 0.751 5.068 4.320 -0.005 0.000 0.289 46 A C 0.799 178.408 177.584 0.041 0.000 1.151 46 A CA 0.032 52.090 52.037 0.035 0.000 0.695 46 A CB 0.479 19.506 19.000 0.045 0.000 1.290 46 A HN 1.760 nan 8.150 nan 0.000 0.419 47 G N -1.025 107.802 108.800 0.046 0.000 2.430 47 G HA2 0.407 4.364 3.960 -0.005 0.000 0.216 47 G HA3 0.407 4.364 3.960 -0.005 0.000 0.216 47 G C 1.214 176.136 174.900 0.037 0.000 1.146 47 G CA 1.287 46.411 45.100 0.041 0.000 0.793 47 G HN 2.445 nan 8.290 nan 0.000 0.537 48 G N -1.097 107.726 108.800 0.039 0.000 2.192 48 G HA2 0.068 4.025 3.960 -0.005 0.000 0.193 48 G HA3 0.068 4.025 3.960 -0.005 0.000 0.193 48 G C 1.217 176.103 174.900 -0.025 0.000 0.999 48 G CA 0.864 45.972 45.100 0.014 0.000 0.659 48 G HN 1.118 nan 8.290 nan 0.000 0.503 49 A N -0.344 122.453 122.820 -0.039 0.000 2.119 49 A HA 0.395 4.712 4.320 -0.005 0.000 0.217 49 A C 0.927 178.261 177.584 -0.417 0.000 1.153 49 A CA 1.628 53.548 52.037 -0.196 0.000 0.692 49 A CB -0.202 18.680 19.000 -0.196 0.000 0.799 49 A HN 0.745 nan 8.150 nan 0.000 0.458 50 H N -1.091 117.976 119.070 -0.006 0.000 2.488 50 H HA 0.414 4.968 4.556 -0.004 0.000 0.237 50 H C 0.599 175.922 175.328 -0.008 0.000 1.395 50 H CA -0.395 55.649 56.048 -0.007 0.000 1.491 50 H CB 0.591 30.351 29.762 -0.003 0.000 1.567 50 H HN 0.155 nan 8.280 nan 0.000 0.508 51 L N 0.486 121.736 121.223 0.044 0.000 2.156 51 L HA -0.120 4.218 4.340 -0.005 0.000 0.208 51 L C 1.875 178.763 176.870 0.031 0.000 1.095 51 L CA 0.818 55.672 54.840 0.024 0.000 0.770 51 L CB -0.146 41.904 42.059 -0.015 0.000 0.914 51 L HN 0.648 nan 8.230 nan 0.000 0.439 52 D N -0.148 120.274 120.400 0.038 0.000 2.205 52 D HA -0.260 4.377 4.640 -0.005 0.000 0.190 52 D C 1.723 178.045 176.300 0.037 0.000 1.002 52 D CA 2.376 56.398 54.000 0.036 0.000 0.848 52 D CB -0.874 39.955 40.800 0.048 0.000 0.975 52 D HN 0.243 nan 8.370 nan 0.000 0.449 53 T N 1.231 115.817 114.554 0.054 0.000 2.684 53 T HA -0.161 4.186 4.350 -0.005 0.000 0.267 53 T C 2.053 176.770 174.700 0.028 0.000 1.036 53 T CA 1.250 63.369 62.100 0.033 0.000 1.148 53 T CB -0.524 68.357 68.868 0.022 0.000 0.863 53 T HN 0.055 nan 8.240 nan 0.000 0.436 54 L N 0.797 122.044 121.223 0.039 0.000 2.046 54 L HA 0.049 4.386 4.340 -0.005 0.000 0.208 54 L C 2.197 179.081 176.870 0.023 0.000 1.077 54 L CA 1.537 56.395 54.840 0.031 0.000 0.747 54 L CB -0.658 41.424 42.059 0.038 0.000 0.896 54 L HN 0.259 nan 8.230 nan 0.000 0.432 55 L N -1.017 120.218 121.223 0.020 0.000 2.093 55 L HA -0.181 4.156 4.340 -0.005 0.000 0.208 55 L C 2.743 179.621 176.870 0.013 0.000 1.085 55 L CA 1.268 56.117 54.840 0.014 0.000 0.755 55 L CB -0.549 41.516 42.059 0.009 0.000 0.904 55 L HN 0.314 nan 8.230 nan 0.000 0.435 56 R N 0.251 120.759 120.500 0.014 0.000 2.073 56 R HA -0.191 4.146 4.340 -0.005 0.000 0.234 56 R C 2.331 178.639 176.300 0.013 0.000 1.134 56 R CA 1.548 57.655 56.100 0.012 0.000 0.952 56 R CB -0.058 30.249 30.300 0.012 0.000 0.850 56 R HN 0.418 nan 8.270 nan 0.000 0.433 57 Q N -0.353 119.456 119.800 0.014 0.000 2.124 57 Q HA -0.210 4.128 4.340 -0.005 0.000 0.202 57 Q C 2.202 178.211 176.000 0.016 0.000 0.977 57 Q CA 1.683 57.495 55.803 0.014 0.000 0.850 57 Q CB -0.178 28.567 28.738 0.012 0.000 0.901 57 Q HN 0.302 nan 8.270 nan 0.000 0.429 58 R N 0.659 121.170 120.500 0.018 0.000 2.083 58 R HA -0.187 4.151 4.340 -0.005 0.000 0.237 58 R C 2.186 178.496 176.300 0.017 0.000 1.137 58 R CA 1.492 57.603 56.100 0.019 0.000 0.951 58 R CB -0.329 29.982 30.300 0.019 0.000 0.851 58 R HN 0.239 nan 8.270 nan 0.000 0.434 59 A N 0.643 123.472 122.820 0.014 0.000 1.877 59 A HA -0.214 4.103 4.320 -0.005 0.000 0.216 59 A C 2.114 179.707 177.584 0.014 0.000 1.186 59 A CA 1.635 53.679 52.037 0.013 0.000 0.620 59 A CB -0.551 18.455 19.000 0.010 0.000 0.822 59 A HN 0.555 nan 8.150 nan 0.000 0.443 60 Q N -0.839 118.970 119.800 0.014 0.000 2.079 60 Q HA -0.121 4.216 4.340 -0.005 0.000 0.200 60 Q C 2.295 178.306 176.000 0.018 0.000 0.974 60 Q CA 1.983 57.795 55.803 0.015 0.000 0.840 60 Q CB -0.364 28.383 28.738 0.014 0.000 0.898 60 Q HN 0.885 nan 8.270 nan 0.000 0.430 61 T N -3.651 110.914 114.554 0.020 0.000 3.014 61 T HA 0.158 4.505 4.350 -0.005 0.000 0.263 61 T C 1.502 176.217 174.700 0.024 0.000 1.078 61 T CA 0.657 62.771 62.100 0.024 0.000 1.135 61 T CB 0.161 69.044 68.868 0.024 0.000 0.895 61 T HN 0.451 nan 8.240 nan 0.000 0.480 62 G N 0.763 109.575 108.800 0.021 0.000 2.143 62 G HA2 -0.208 3.749 3.960 -0.005 0.000 0.248 62 G HA3 -0.208 3.749 3.960 -0.005 0.000 0.248 62 G C 0.029 174.943 174.900 0.023 0.000 0.991 62 G CA 0.041 45.153 45.100 0.020 0.000 0.689 62 G HN 0.737 nan 8.290 nan 0.000 0.522 63 V N 1.521 121.450 119.914 0.026 0.000 2.406 63 V HA 0.520 4.637 4.120 -0.005 0.000 0.272 63 V C 1.539 177.652 176.094 0.033 0.000 1.043 63 V CA 0.690 63.009 62.300 0.031 0.000 0.915 63 V CB 1.272 33.115 31.823 0.034 0.000 0.988 63 V HN 0.649 nan 8.190 nan 0.000 0.466 64 T N 0.445 115.020 114.554 0.035 0.000 3.022 64 T HA 0.053 4.401 4.350 -0.005 0.000 0.250 64 T C 0.857 175.587 174.700 0.050 0.000 1.060 64 T CA -0.064 62.056 62.100 0.033 0.000 1.013 64 T CB -0.284 68.596 68.868 0.021 0.000 0.982 64 T HN 0.433 nan 8.240 nan 0.000 0.508 65 N N 1.746 120.487 118.700 0.068 0.000 2.671 65 N HA 0.279 5.017 4.740 -0.005 0.000 0.274 65 N C -1.084 174.509 175.510 0.139 0.000 1.188 65 N CA -0.245 52.876 53.050 0.118 0.000 1.065 65 N CB -0.715 37.841 38.487 0.115 0.000 1.415 65 N HN 0.514 nan 8.380 nan 0.000 0.511 66 I N 1.088 121.753 120.570 0.160 0.000 2.608 66 I HA 0.538 4.705 4.170 -0.005 0.000 0.295 66 I C -0.444 175.800 176.117 0.211 0.000 1.049 66 I CA -1.216 60.168 61.300 0.141 0.000 1.063 66 I CB 2.085 40.136 38.000 0.086 0.000 1.248 66 I HN 0.334 nan 8.210 nan 0.000 0.424 67 A N 5.902 128.818 122.820 0.160 0.000 2.318 67 A HA 0.815 5.133 4.320 -0.005 0.000 0.317 67 A C -1.015 176.634 177.584 0.109 0.000 1.159 67 A CA -0.487 51.648 52.037 0.163 0.000 0.799 67 A CB 1.274 20.325 19.000 0.086 0.000 1.194 67 A HN 0.413 nan 8.150 nan 0.000 0.479 68 V N 2.606 122.596 119.914 0.126 0.000 2.483 68 V HA 0.471 4.588 4.120 -0.005 0.000 0.297 68 V C 1.119 177.275 176.094 0.102 0.000 1.027 68 V CA 0.140 62.497 62.300 0.095 0.000 0.855 68 V CB 1.066 32.940 31.823 0.084 0.000 0.995 68 V HN 1.169 nan 8.190 nan 0.000 0.424 69 A N 2.918 125.780 122.820 0.070 0.000 1.873 69 A HA -0.075 4.242 4.320 -0.005 0.000 0.215 69 A C 1.186 178.813 177.584 0.072 0.000 1.186 69 A CA 1.157 53.231 52.037 0.062 0.000 0.616 69 A CB -0.178 18.846 19.000 0.039 0.000 0.823 69 A HN 0.806 nan 8.150 nan 0.000 0.442 70 D N 0.008 120.444 120.400 0.061 0.000 2.371 70 D HA 0.049 4.686 4.640 -0.005 0.000 0.256 70 D C 0.492 176.840 176.300 0.080 0.000 1.193 70 D CA -0.064 53.973 54.000 0.062 0.000 0.881 70 D CB 0.660 41.485 40.800 0.043 0.000 1.143 70 D HN 0.274 nan 8.370 nan 0.000 0.473 71 E N 2.703 122.960 120.200 0.096 0.000 2.077 71 E HA -0.224 4.124 4.350 -0.005 0.000 0.193 71 E C 1.495 178.148 176.600 0.088 0.000 0.989 71 E CA 0.985 57.444 56.400 0.097 0.000 0.800 71 E CB -0.207 29.553 29.700 0.100 0.000 0.746 71 E HN 0.635 nan 8.360 nan 0.000 0.452 72 H N 0.870 119.932 119.070 -0.013 0.000 2.353 72 H HA 0.009 4.563 4.556 -0.004 0.000 0.300 72 H C 1.847 177.158 175.328 -0.029 0.000 1.090 72 H CA 1.826 57.858 56.048 -0.025 0.000 1.327 72 H CB -0.244 29.507 29.762 -0.018 0.000 1.383 72 H HN 0.128 nan 8.280 nan 0.000 0.508 73 A N 0.604 123.391 122.820 -0.056 0.000 1.902 73 A HA -0.038 4.279 4.320 -0.005 0.000 0.217 73 A C 2.646 180.182 177.584 -0.079 0.000 1.181 73 A CA 1.834 53.802 52.037 -0.115 0.000 0.623 73 A CB -1.200 17.767 19.000 -0.054 0.000 0.818 73 A HN 0.566 nan 8.150 nan 0.000 0.443 74 A N -1.096 121.703 122.820 -0.035 0.000 1.930 74 A HA -0.143 4.174 4.320 -0.005 0.000 0.217 74 A C 2.133 179.660 177.584 -0.095 0.000 1.175 74 A CA 2.018 54.030 52.037 -0.041 0.000 0.627 74 A CB -0.462 18.536 19.000 -0.004 0.000 0.815 74 A HN 0.521 nan 8.150 nan 0.000 0.443 75 Q N 0.246 119.987 119.800 -0.099 0.000 2.050 75 Q HA -0.146 4.191 4.340 -0.005 0.000 0.202 75 Q C 2.156 178.110 176.000 -0.076 0.000 0.980 75 Q CA 1.988 57.740 55.803 -0.085 0.000 0.840 75 Q CB -0.356 28.377 28.738 -0.008 0.000 0.898 75 Q HN 0.651 nan 8.270 nan 0.000 0.424 76 R N -0.821 119.610 120.500 -0.114 0.000 2.117 76 R HA -0.141 4.196 4.340 -0.005 0.000 0.243 76 R C 2.189 178.443 176.300 -0.076 0.000 1.143 76 R CA 1.585 57.613 56.100 -0.119 0.000 0.968 76 R CB -0.435 29.753 30.300 -0.186 0.000 0.863 76 R HN 0.203 nan 8.270 nan 0.000 0.444 77 V N -0.312 119.561 119.914 -0.067 0.000 2.346 77 V HA 0.058 4.175 4.120 -0.005 0.000 0.244 77 V C 1.138 177.209 176.094 -0.039 0.000 1.037 77 V CA 1.213 63.487 62.300 -0.043 0.000 1.029 77 V CB -0.765 31.040 31.823 -0.030 0.000 0.663 77 V HN 0.689 nan 8.190 nan 0.000 0.454 78 G N 0.472 109.242 108.800 -0.049 0.000 2.722 78 G HA2 -0.094 3.863 3.960 -0.005 0.000 0.686 78 G HA3 -0.094 3.863 3.960 -0.005 0.000 0.686 78 G C -0.308 174.571 174.900 -0.035 0.000 1.282 78 G CA -0.273 44.798 45.100 -0.047 0.000 0.817 78 G HN 0.437 nan 8.290 nan 0.000 0.605 79 D N -1.317 119.060 120.400 -0.037 0.000 2.811 79 D HA -0.175 4.462 4.640 -0.005 0.000 0.231 79 D C 1.038 177.330 176.300 -0.013 0.000 1.157 79 D CA 1.472 55.457 54.000 -0.024 0.000 0.716 79 D CB -0.654 40.134 40.800 -0.019 0.000 1.077 79 D HN 0.683 nan 8.370 nan 0.000 0.428 80 I N 1.312 121.881 120.570 -0.002 0.000 2.452 80 I HA 0.022 4.190 4.170 -0.005 0.000 0.287 80 I C -0.481 175.666 176.117 0.049 0.000 1.079 80 I CA -1.450 59.872 61.300 0.036 0.000 1.387 80 I CB 0.579 38.616 38.000 0.062 0.000 1.404 80 I HN -0.149 nan 8.210 nan 0.000 0.522 81 P HA -0.104 nan 4.420 nan 0.000 0.219 81 P C -0.378 176.600 177.300 -0.536 0.000 1.150 81 P CA 1.312 64.228 63.100 -0.307 0.000 0.814 81 P CB 0.207 31.646 31.700 -0.436 0.000 0.787 82 Y N 0.013 120.346 120.300 0.054 0.000 2.331 82 Y HA 0.452 4.999 4.550 -0.005 0.000 0.334 82 Y C 0.514 176.431 175.900 0.028 0.000 0.960 82 Y CA -1.006 57.072 58.100 -0.037 0.000 1.130 82 Y CB 1.295 39.735 38.460 -0.033 0.000 1.164 82 Y HN 0.067 nan 8.280 nan 0.000 0.458 83 H N 0.187 119.334 119.070 0.127 0.000 2.930 83 H HA 0.877 5.430 4.556 -0.005 0.000 0.371 83 H C -0.045 175.323 175.328 0.067 0.000 1.169 83 H CA -1.274 54.821 56.048 0.078 0.000 1.157 83 H CB 1.879 31.666 29.762 0.042 0.000 1.789 83 H HN 0.930 nan 8.280 nan 0.000 0.547 84 G N 0.083 108.977 108.800 0.158 0.000 2.592 84 G HA2 -0.099 3.859 3.960 -0.005 0.000 0.684 84 G HA3 -0.099 3.859 3.960 -0.005 0.000 0.684 84 G C 0.726 175.656 174.900 0.050 0.000 1.291 84 G CA -0.043 45.112 45.100 0.091 0.000 0.891 84 G HN 1.392 nan 8.290 nan 0.000 0.544 85 S N -0.889 114.831 115.700 0.033 0.000 2.474 85 S HA -0.026 4.441 4.470 -0.005 0.000 0.235 85 S C 1.456 176.058 174.600 0.003 0.000 0.997 85 S CA 1.922 60.132 58.200 0.018 0.000 0.949 85 S CB -0.053 63.155 63.200 0.012 0.000 0.766 85 S HN 1.252 nan 8.310 nan 0.000 0.517 86 D N 0.938 121.338 120.400 -0.001 0.000 2.340 86 D HA 0.379 5.016 4.640 -0.005 0.000 0.217 86 D C 1.559 177.844 176.300 -0.025 0.000 1.081 86 D CA 0.481 54.471 54.000 -0.016 0.000 0.842 86 D CB -0.128 40.662 40.800 -0.017 0.000 0.934 86 D HN 0.405 nan 8.370 nan 0.000 0.511 87 A N 1.259 124.077 122.820 -0.002 0.000 1.883 87 A HA 0.035 4.352 4.320 -0.005 0.000 0.217 87 A C 2.427 179.970 177.584 -0.068 0.000 1.186 87 A CA 2.173 54.221 52.037 0.019 0.000 0.624 87 A CB -0.965 18.087 19.000 0.088 0.000 0.822 87 A HN 0.354 nan 8.150 nan 0.000 0.444 88 A N -0.993 121.795 122.820 -0.053 0.000 1.902 88 A HA -0.093 4.224 4.320 -0.005 0.000 0.217 88 A C 2.318 179.825 177.584 -0.128 0.000 1.181 88 A CA 2.374 54.361 52.037 -0.083 0.000 0.623 88 A CB -1.334 17.637 19.000 -0.048 0.000 0.818 88 A HN 0.459 nan 8.150 nan 0.000 0.443 89 T N -0.271 114.220 114.554 -0.105 0.000 2.708 89 T HA -0.154 4.193 4.350 -0.005 0.000 0.266 89 T C 2.070 176.676 174.700 -0.157 0.000 1.037 89 T CA 1.597 63.633 62.100 -0.107 0.000 1.146 89 T CB -0.251 68.575 68.868 -0.071 0.000 0.865 89 T HN 0.508 nan 8.240 nan 0.000 0.435 90 R N 0.286 120.670 120.500 -0.193 0.000 2.092 90 R HA 0.038 4.375 4.340 -0.005 0.000 0.231 90 R C 2.472 178.423 176.300 -0.581 0.000 1.119 90 R CA 0.871 56.810 56.100 -0.268 0.000 0.970 90 R CB -0.622 29.592 30.300 -0.142 0.000 0.864 90 R HN 0.255 nan 8.270 nan 0.000 0.440 91 L N 0.767 121.509 121.223 -0.803 0.000 2.013 91 L HA -0.205 4.132 4.340 -0.005 0.000 0.212 91 L C 2.074 178.722 176.870 -0.369 0.000 1.073 91 L CA 1.594 55.939 54.840 -0.824 0.000 0.753 91 L CB -0.235 41.534 42.059 -0.484 0.000 0.890 91 L HN -0.078 nan 8.230 nan 0.000 0.432 92 V N -0.238 119.530 119.914 -0.243 0.000 2.295 92 V HA -0.282 3.835 4.120 -0.005 0.000 0.246 92 V C 2.434 178.458 176.094 -0.117 0.000 1.049 92 V CA 2.141 64.356 62.300 -0.142 0.000 1.024 92 V CB -0.708 31.050 31.823 -0.108 0.000 0.648 92 V HN 0.515 nan 8.190 nan 0.000 0.447 93 E N -0.232 119.893 120.200 -0.126 0.000 2.204 93 E HA -0.246 4.101 4.350 -0.005 0.000 0.195 93 E C 1.998 178.561 176.600 -0.062 0.000 0.990 93 E CA 1.197 57.548 56.400 -0.082 0.000 0.821 93 E CB -0.082 29.574 29.700 -0.073 0.000 0.750 93 E HN 0.676 nan 8.360 nan 0.000 0.477 94 Q N -0.330 119.419 119.800 -0.086 0.000 2.217 94 Q HA 0.105 4.442 4.340 -0.005 0.000 0.217 94 Q C -0.346 175.656 176.000 0.004 0.000 0.844 94 Q CA 0.141 55.933 55.803 -0.017 0.000 0.957 94 Q CB 1.408 30.174 28.738 0.048 0.000 1.127 94 Q HN -0.012 nan 8.270 nan 0.000 0.503 95 T N 1.229 115.766 114.554 -0.030 0.000 2.771 95 T HA 0.221 4.569 4.350 -0.005 0.000 0.281 95 T C -0.435 174.263 174.700 -0.003 0.000 0.982 95 T CA -0.480 61.618 62.100 -0.003 0.000 0.978 95 T CB 1.610 70.470 68.868 -0.014 0.000 0.930 95 T HN 0.040 nan 8.240 nan 0.000 0.447 96 E N 1.755 121.962 120.200 0.011 0.000 2.299 96 E HA 0.493 4.840 4.350 -0.005 0.000 0.272 96 E C -0.341 176.266 176.600 0.012 0.000 1.043 96 E CA -0.309 56.097 56.400 0.010 0.000 0.895 96 E CB 0.615 30.324 29.700 0.015 0.000 1.011 96 E HN 0.758 nan 8.360 nan 0.000 0.432 97 A N 3.485 126.311 122.820 0.010 0.000 2.602 97 A HA 0.305 4.622 4.320 -0.005 0.000 0.290 97 A C -0.364 177.232 177.584 0.020 0.000 1.114 97 A CA -0.707 51.340 52.037 0.016 0.000 0.683 97 A CB 1.385 20.389 19.000 0.007 0.000 1.281 97 A HN 0.601 nan 8.150 nan 0.000 0.416 98 D N -0.697 119.722 120.400 0.033 0.000 2.324 98 D HA 0.213 4.850 4.640 -0.005 0.000 0.212 98 D C -0.040 176.282 176.300 0.037 0.000 0.984 98 D CA 1.273 55.297 54.000 0.041 0.000 0.885 98 D CB 0.812 41.649 40.800 0.062 0.000 0.996 98 D HN 0.221 nan 8.370 nan 0.000 0.505 99 V N 1.633 121.566 119.914 0.030 0.000 2.623 99 V HA 0.269 4.386 4.120 -0.005 0.000 0.304 99 V C -0.245 175.841 176.094 -0.014 0.000 1.054 99 V CA -0.864 61.443 62.300 0.011 0.000 0.882 99 V CB 2.817 34.651 31.823 0.018 0.000 1.002 99 V HN -0.261 nan 8.190 nan 0.000 0.424 100 V N 5.622 125.518 119.914 -0.030 0.000 2.333 100 V HA 0.359 4.476 4.120 -0.005 0.000 0.274 100 V C -0.169 175.890 176.094 -0.057 0.000 1.028 100 V CA -0.445 61.829 62.300 -0.044 0.000 0.851 100 V CB 1.415 33.208 31.823 -0.049 0.000 1.000 100 V HN 0.688 nan 8.190 nan 0.000 0.456 101 L N 5.619 126.804 121.223 -0.063 0.000 2.312 101 L HA 0.436 4.773 4.340 -0.005 0.000 0.287 101 L C 0.281 177.110 176.870 -0.068 0.000 1.091 101 L CA 0.326 55.121 54.840 -0.074 0.000 0.846 101 L CB 0.366 42.373 42.059 -0.086 0.000 1.219 101 L HN 0.611 nan 8.230 nan 0.000 0.439 102 N N 4.386 123.043 118.700 -0.072 0.000 2.482 102 N HA 0.343 5.081 4.740 -0.005 0.000 0.242 102 N C 0.001 175.469 175.510 -0.070 0.000 1.100 102 N CA 0.337 53.346 53.050 -0.068 0.000 0.946 102 N CB 1.203 39.648 38.487 -0.071 0.000 1.227 102 N HN 0.675 nan 8.380 nan 0.000 0.508 103 A N 4.690 127.473 122.820 -0.062 0.000 2.630 103 A HA 0.292 4.609 4.320 -0.005 0.000 0.290 103 A C 0.511 178.065 177.584 -0.050 0.000 1.267 103 A CA -0.426 51.575 52.037 -0.061 0.000 0.950 103 A CB -0.231 18.733 19.000 -0.060 0.000 1.144 103 A HN 0.593 nan 8.150 nan 0.000 0.527 104 L N -0.603 120.593 121.223 -0.045 0.000 2.476 104 L HA 0.299 4.637 4.340 -0.005 0.000 0.264 104 L C 0.403 177.250 176.870 -0.038 0.000 1.224 104 L CA -0.216 54.602 54.840 -0.036 0.000 0.821 104 L CB 0.842 42.880 42.059 -0.034 0.000 1.101 104 L HN 0.093 nan 8.230 nan 0.000 0.488 105 V N 1.024 120.921 119.914 -0.028 0.000 2.513 105 V HA 0.877 4.994 4.120 -0.005 0.000 0.299 105 V C 0.224 176.303 176.094 -0.025 0.000 1.035 105 V CA 0.562 62.845 62.300 -0.028 0.000 0.889 105 V CB 0.920 32.731 31.823 -0.019 0.000 0.988 105 V HN 0.998 nan 8.190 nan 0.000 0.440 106 G N 4.554 113.337 108.800 -0.028 0.000 2.712 106 G HA2 0.191 4.148 3.960 -0.005 0.000 0.683 106 G HA3 0.191 4.148 3.960 -0.005 0.000 0.683 106 G C 0.613 175.495 174.900 -0.030 0.000 1.320 106 G CA -0.221 44.863 45.100 -0.026 0.000 0.847 106 G HN 2.005 nan 8.290 nan 0.000 0.553 107 A N -0.438 122.364 122.820 -0.030 0.000 2.172 107 A HA 0.239 4.556 4.320 -0.005 0.000 0.216 107 A C 2.518 180.082 177.584 -0.033 0.000 1.154 107 A CA 2.410 54.427 52.037 -0.033 0.000 0.701 107 A CB -0.550 18.429 19.000 -0.035 0.000 0.789 107 A HN 2.028 nan 8.150 nan 0.000 0.465 108 L N -2.377 118.828 121.223 -0.030 0.000 2.450 108 L HA 0.125 4.462 4.340 -0.005 0.000 0.224 108 L C 1.753 178.605 176.870 -0.031 0.000 1.149 108 L CA 1.626 56.449 54.840 -0.027 0.000 0.816 108 L CB -1.266 40.780 42.059 -0.020 0.000 0.932 108 L HN 0.087 nan 8.230 nan 0.000 0.449 109 G N -0.401 108.378 108.800 -0.035 0.000 2.920 109 G HA2 -0.044 3.913 3.960 -0.005 0.000 0.208 109 G HA3 -0.044 3.913 3.960 -0.005 0.000 0.208 109 G C 1.315 176.188 174.900 -0.045 0.000 1.159 109 G CA 0.420 45.495 45.100 -0.041 0.000 0.784 109 G HN 0.373 nan 8.290 nan 0.000 0.535 110 L N 0.813 122.012 121.223 -0.042 0.000 1.970 110 L HA 0.004 4.341 4.340 -0.005 0.000 0.212 110 L C 2.805 179.650 176.870 -0.042 0.000 1.071 110 L CA 1.802 56.616 54.840 -0.042 0.000 0.751 110 L CB -0.491 41.546 42.059 -0.037 0.000 0.889 110 L HN 0.131 nan 8.230 nan 0.000 0.432 111 R N -0.455 120.021 120.500 -0.039 0.000 2.081 111 R HA -0.119 4.218 4.340 -0.005 0.000 0.235 111 R C -0.111 176.160 176.300 -0.048 0.000 1.131 111 R CA 1.774 57.850 56.100 -0.040 0.000 0.960 111 R CB -1.748 28.530 30.300 -0.035 0.000 0.856 111 R HN 0.427 nan 8.270 nan 0.000 0.436 112 P HA -0.087 nan 4.420 nan 0.000 0.216 112 P C 1.107 178.371 177.300 -0.060 0.000 1.150 112 P CA 1.377 64.441 63.100 -0.060 0.000 0.837 112 P CB -0.027 31.637 31.700 -0.059 0.000 0.786 113 T N -0.256 114.263 114.554 -0.058 0.000 2.674 113 T HA -0.106 4.241 4.350 -0.005 0.000 0.265 113 T C 1.721 176.386 174.700 -0.058 0.000 1.039 113 T CA 1.201 63.264 62.100 -0.062 0.000 1.150 113 T CB -0.940 67.889 68.868 -0.065 0.000 0.864 113 T HN 0.038 nan 8.240 nan 0.000 0.427 114 L N 0.644 121.837 121.223 -0.051 0.000 2.046 114 L HA -0.072 4.265 4.340 -0.005 0.000 0.208 114 L C 2.986 179.830 176.870 -0.044 0.000 1.077 114 L CA 1.225 56.038 54.840 -0.046 0.000 0.747 114 L CB -0.613 41.422 42.059 -0.038 0.000 0.896 114 L HN 0.226 nan 8.230 nan 0.000 0.432 115 A N -0.015 122.776 122.820 -0.048 0.000 1.902 115 A HA -0.151 4.166 4.320 -0.005 0.000 0.217 115 A C 2.552 180.106 177.584 -0.050 0.000 1.181 115 A CA 1.655 53.662 52.037 -0.049 0.000 0.623 115 A CB -0.722 18.243 19.000 -0.059 0.000 0.818 115 A HN 0.388 nan 8.150 nan 0.000 0.443 116 A N -0.053 122.735 122.820 -0.054 0.000 1.865 116 A HA -0.108 4.209 4.320 -0.005 0.000 0.217 116 A C 2.177 179.734 177.584 -0.045 0.000 1.191 116 A CA 1.624 53.630 52.037 -0.052 0.000 0.623 116 A CB -0.731 18.235 19.000 -0.057 0.000 0.826 116 A HN 0.477 nan 8.150 nan 0.000 0.444 117 L N -0.819 120.375 121.223 -0.048 0.000 2.079 117 L HA -0.216 4.121 4.340 -0.005 0.000 0.210 117 L C 2.545 179.394 176.870 -0.035 0.000 1.081 117 L CA 1.746 56.559 54.840 -0.045 0.000 0.752 117 L CB -0.427 41.602 42.059 -0.051 0.000 0.896 117 L HN 0.367 nan 8.230 nan 0.000 0.433 118 K N -0.462 119.918 120.400 -0.034 0.000 2.209 118 K HA -0.149 4.168 4.320 -0.005 0.000 0.204 118 K C 2.054 178.640 176.600 -0.023 0.000 1.048 118 K CA 1.770 58.041 56.287 -0.027 0.000 0.940 118 K CB -0.237 32.246 32.500 -0.027 0.000 0.729 118 K HN 0.483 nan 8.250 nan 0.000 0.451 119 T N -2.976 111.562 114.554 -0.026 0.000 3.055 119 T HA 0.049 4.396 4.350 -0.005 0.000 0.265 119 T C 1.552 176.243 174.700 -0.014 0.000 1.111 119 T CA 0.931 63.018 62.100 -0.020 0.000 1.118 119 T CB 0.059 68.912 68.868 -0.024 0.000 0.909 119 T HN 0.366 nan 8.240 nan 0.000 0.501 120 G N 1.194 109.984 108.800 -0.016 0.000 2.199 120 G HA2 -0.088 3.869 3.960 -0.005 0.000 0.254 120 G HA3 -0.088 3.869 3.960 -0.005 0.000 0.254 120 G C 0.404 175.300 174.900 -0.006 0.000 0.982 120 G CA 0.022 45.115 45.100 -0.010 0.000 0.632 120 G HN 1.239 nan 8.290 nan 0.000 0.529 121 A N 0.120 122.935 122.820 -0.009 0.000 2.448 121 A HA 0.611 4.928 4.320 -0.005 0.000 0.239 121 A C 0.896 178.474 177.584 -0.011 0.000 1.080 121 A CA 0.865 52.900 52.037 -0.004 0.000 0.779 121 A CB 0.122 19.117 19.000 -0.009 0.000 1.026 121 A HN 1.213 nan 8.150 nan 0.000 0.499 122 R N 0.607 121.108 120.500 0.001 0.000 2.522 122 R HA 0.247 4.585 4.340 -0.005 0.000 0.284 122 R C -0.769 175.510 176.300 -0.034 0.000 1.032 122 R CA -0.246 55.848 56.100 -0.010 0.000 1.049 122 R CB 0.065 30.377 30.300 0.021 0.000 0.956 122 R HN 0.552 nan 8.270 nan 0.000 0.422 123 L N 5.086 126.272 121.223 -0.061 0.000 2.270 123 L HA 0.395 4.732 4.340 -0.005 0.000 0.286 123 L C -0.695 176.117 176.870 -0.096 0.000 1.059 123 L CA 0.011 54.805 54.840 -0.077 0.000 0.839 123 L CB 0.968 42.975 42.059 -0.087 0.000 1.221 123 L HN 0.784 nan 8.230 nan 0.000 0.431 124 A N 5.585 128.355 122.820 -0.084 0.000 2.376 124 A HA 0.455 4.772 4.320 -0.005 0.000 0.298 124 A C -0.610 176.912 177.584 -0.104 0.000 1.271 124 A CA -0.363 51.617 52.037 -0.095 0.000 0.926 124 A CB -0.164 18.787 19.000 -0.082 0.000 1.141 124 A HN 0.666 nan 8.150 nan 0.000 0.539 125 L N 3.641 124.789 121.223 -0.124 0.000 2.272 125 L HA 0.571 4.909 4.340 -0.005 0.000 0.284 125 L C 0.997 177.793 176.870 -0.122 0.000 1.045 125 L CA 0.351 55.115 54.840 -0.126 0.000 0.842 125 L CB 0.944 42.911 42.059 -0.152 0.000 1.224 125 L HN 0.698 nan 8.230 nan 0.000 0.430 126 A N 3.773 126.530 122.820 -0.105 0.000 1.984 126 A HA -0.001 4.316 4.320 -0.005 0.000 0.214 126 A C 1.273 178.797 177.584 -0.100 0.000 1.173 126 A CA 0.396 52.371 52.037 -0.103 0.000 0.673 126 A CB -0.317 18.627 19.000 -0.094 0.000 0.830 126 A HN 0.770 nan 8.150 nan 0.000 0.453 127 N N 1.086 119.731 118.700 -0.091 0.000 2.971 127 N HA -0.010 4.727 4.740 -0.005 0.000 0.294 127 N C 0.863 176.322 175.510 -0.086 0.000 1.210 127 N CA 0.278 53.280 53.050 -0.079 0.000 1.157 127 N CB 0.164 38.610 38.487 -0.068 0.000 1.450 127 N HN 0.600 nan 8.380 nan 0.000 0.527 128 K N 0.781 121.126 120.400 -0.092 0.000 2.209 128 K HA -0.158 4.159 4.320 -0.005 0.000 0.204 128 K C 0.918 177.476 176.600 -0.070 0.000 1.048 128 K CA 1.153 57.378 56.287 -0.104 0.000 0.940 128 K CB 0.080 32.514 32.500 -0.110 0.000 0.729 128 K HN 0.266 nan 8.250 nan 0.000 0.451 129 E N 1.592 121.764 120.200 -0.047 0.000 2.160 129 E HA -0.193 4.154 4.350 -0.005 0.000 0.195 129 E C 2.136 178.716 176.600 -0.034 0.000 0.991 129 E CA 1.925 58.309 56.400 -0.027 0.000 0.810 129 E CB -0.111 29.574 29.700 -0.024 0.000 0.742 129 E HN 0.611 nan 8.360 nan 0.000 0.466 130 S N 0.301 115.972 115.700 -0.049 0.000 2.406 130 S HA -0.065 4.402 4.470 -0.005 0.000 0.228 130 S C 1.951 176.518 174.600 -0.056 0.000 1.020 130 S CA 0.497 58.666 58.200 -0.051 0.000 0.965 130 S CB -0.216 62.950 63.200 -0.057 0.000 0.798 130 S HN 0.233 nan 8.310 nan 0.000 0.488 131 L N 1.168 122.348 121.223 -0.072 0.000 2.095 131 L HA 0.039 4.376 4.340 -0.005 0.000 0.204 131 L C 2.458 179.296 176.870 -0.053 0.000 1.080 131 L CA 0.994 55.785 54.840 -0.082 0.000 0.759 131 L CB -0.426 41.556 42.059 -0.128 0.000 0.914 131 L HN 0.255 nan 8.230 nan 0.000 0.439 132 V N 0.424 120.315 119.914 -0.038 0.000 2.295 132 V HA -0.295 3.822 4.120 -0.005 0.000 0.246 132 V C 2.815 178.916 176.094 0.012 0.000 1.049 132 V CA 1.807 64.108 62.300 0.001 0.000 1.024 132 V CB -0.877 30.964 31.823 0.031 0.000 0.648 132 V HN 0.564 nan 8.190 nan 0.000 0.447 133 A N 0.321 123.140 122.820 -0.001 0.000 1.855 133 A HA -0.060 4.257 4.320 -0.005 0.000 0.215 133 A C 2.428 180.004 177.584 -0.013 0.000 1.191 133 A CA 1.895 53.927 52.037 -0.008 0.000 0.613 133 A CB -1.303 17.684 19.000 -0.022 0.000 0.829 133 A HN 0.522 nan 8.150 nan 0.000 0.442 134 G N -1.341 107.445 108.800 -0.023 0.000 2.422 134 G HA2 0.267 4.225 3.960 -0.005 0.000 0.218 134 G HA3 0.267 4.225 3.960 -0.005 0.000 0.218 134 G C 1.422 176.314 174.900 -0.013 0.000 1.146 134 G CA 1.161 46.247 45.100 -0.023 0.000 0.769 134 G HN 1.599 nan 8.290 nan 0.000 0.547 135 G N 0.048 108.842 108.800 -0.012 0.000 2.611 135 G HA2 -0.328 3.629 3.960 -0.005 0.000 0.301 135 G HA3 -0.328 3.629 3.960 -0.005 0.000 0.301 135 G C 1.709 176.602 174.900 -0.011 0.000 1.233 135 G CA 2.112 47.214 45.100 0.003 0.000 0.993 135 G HN 1.424 nan 8.290 nan 0.000 0.553 136 S N -0.189 115.513 115.700 0.003 0.000 2.419 136 S HA 0.013 4.480 4.470 -0.005 0.000 0.233 136 S C 2.426 177.017 174.600 -0.015 0.000 1.016 136 S CA 2.025 60.220 58.200 -0.008 0.000 0.974 136 S CB -0.145 63.059 63.200 0.008 0.000 0.786 136 S HN 1.370 nan 8.310 nan 0.000 0.492 137 L N 1.759 122.976 121.223 -0.010 0.000 2.012 137 L HA -0.008 4.329 4.340 -0.005 0.000 0.210 137 L C 2.504 179.358 176.870 -0.027 0.000 1.073 137 L CA 1.521 56.353 54.840 -0.014 0.000 0.748 137 L CB -0.644 41.410 42.059 -0.008 0.000 0.891 137 L HN 0.224 nan 8.230 nan 0.000 0.431 138 V N -0.514 119.378 119.914 -0.036 0.000 2.358 138 V HA -0.280 3.837 4.120 -0.005 0.000 0.246 138 V C 2.497 178.554 176.094 -0.061 0.000 1.047 138 V CA 1.835 64.104 62.300 -0.051 0.000 1.035 138 V CB -0.459 31.327 31.823 -0.062 0.000 0.658 138 V HN 0.421 nan 8.190 nan 0.000 0.452 139 L N -0.603 120.582 121.223 -0.063 0.000 2.083 139 L HA -0.170 4.167 4.340 -0.005 0.000 0.209 139 L C 2.733 179.570 176.870 -0.056 0.000 1.083 139 L CA 1.572 56.369 54.840 -0.072 0.000 0.752 139 L CB -0.578 41.434 42.059 -0.078 0.000 0.899 139 L HN 0.241 nan 8.230 nan 0.000 0.433 140 R N -0.199 120.276 120.500 -0.041 0.000 2.148 140 R HA -0.079 4.258 4.340 -0.005 0.000 0.227 140 R C 2.205 178.486 176.300 -0.032 0.000 1.103 140 R CA 1.062 57.142 56.100 -0.032 0.000 0.983 140 R CB -0.246 30.041 30.300 -0.022 0.000 0.874 140 R HN 0.324 nan 8.270 nan 0.000 0.451 141 A N 0.732 123.530 122.820 -0.037 0.000 2.167 141 A HA 0.236 4.553 4.320 -0.005 0.000 0.214 141 A C 0.916 178.475 177.584 -0.041 0.000 1.151 141 A CA 0.569 52.584 52.037 -0.036 0.000 0.735 141 A CB 0.149 19.126 19.000 -0.038 0.000 0.802 141 A HN 0.272 nan 8.150 nan 0.000 0.467 142 A N 0.454 123.244 122.820 -0.050 0.000 2.312 142 A HA 0.612 4.930 4.320 -0.005 0.000 0.328 142 A C 0.424 177.979 177.584 -0.047 0.000 1.158 142 A CA -0.795 51.209 52.037 -0.056 0.000 0.821 142 A CB 0.396 19.349 19.000 -0.079 0.000 1.170 142 A HN 0.633 nan 8.150 nan 0.000 0.490 143 R N 1.376 121.853 120.500 -0.040 0.000 2.583 143 R HA 0.552 4.889 4.340 -0.005 0.000 0.268 143 R C -2.730 173.547 176.300 -0.038 0.000 1.101 143 R CA -1.378 54.704 56.100 -0.030 0.000 1.180 143 R CB -0.473 29.817 30.300 -0.016 0.000 1.128 143 R HN 0.331 nan 8.270 nan 0.000 0.568 144 P HA 0.087 nan 4.420 nan 0.000 0.267 144 P C 0.259 177.545 177.300 -0.023 0.000 1.209 144 P CA 0.928 64.012 63.100 -0.027 0.000 0.763 144 P CB 0.951 32.647 31.700 -0.005 0.000 0.816 145 G N 2.544 111.311 108.800 -0.055 0.000 2.184 145 G HA2 -0.356 3.601 3.960 -0.005 0.000 0.264 145 G HA3 -0.356 3.601 3.960 -0.005 0.000 0.264 145 G C 1.082 175.929 174.900 -0.089 0.000 0.975 145 G CA 0.446 45.505 45.100 -0.068 0.000 0.642 145 G HN 0.560 nan 8.290 nan 0.000 0.536 146 Q N -0.410 119.342 119.800 -0.079 0.000 2.167 146 Q HA 0.146 4.483 4.340 -0.005 0.000 0.202 146 Q C 1.210 177.143 176.000 -0.112 0.000 0.970 146 Q CA 0.693 56.453 55.803 -0.072 0.000 0.855 146 Q CB -0.035 28.669 28.738 -0.057 0.000 0.911 146 Q HN 0.700 nan 8.270 nan 0.000 0.438 147 I N 1.815 122.292 120.570 -0.156 0.000 2.312 147 I HA 0.132 4.299 4.170 -0.005 0.000 0.291 147 I C -0.909 175.050 176.117 -0.263 0.000 1.031 147 I CA -0.555 60.630 61.300 -0.192 0.000 1.293 147 I CB 1.393 39.269 38.000 -0.206 0.000 1.403 147 I HN -0.175 nan 8.210 nan 0.000 0.484 148 V N 8.864 128.627 119.914 -0.251 0.000 2.350 148 V HA 0.317 4.434 4.120 -0.005 0.000 0.285 148 V C -2.015 173.930 176.094 -0.249 0.000 1.014 148 V CA -1.759 60.343 62.300 -0.330 0.000 0.831 148 V CB 1.344 32.968 31.823 -0.331 0.000 1.000 148 V HN 0.579 nan 8.190 nan 0.000 0.433 149 P HA 0.178 nan 4.420 nan 0.000 0.271 149 P C 0.400 177.637 177.300 -0.104 0.000 1.218 149 P CA 0.142 63.138 63.100 -0.174 0.000 0.780 149 P CB 2.180 33.803 31.700 -0.127 0.000 0.901 150 V N 1.096 120.955 119.914 -0.092 0.000 3.379 150 V HA -0.029 4.088 4.120 -0.005 0.000 0.249 150 V C 0.886 176.934 176.094 -0.077 0.000 1.184 150 V CA 0.857 63.112 62.300 -0.075 0.000 1.106 150 V CB -0.835 30.935 31.823 -0.089 0.000 0.826 150 V HN 0.625 nan 8.190 nan 0.000 0.465 151 D N -0.644 119.711 120.400 -0.074 0.000 2.400 151 D HA 0.004 4.641 4.640 -0.005 0.000 0.238 151 D C 1.179 177.420 176.300 -0.099 0.000 1.157 151 D CA 0.470 54.402 54.000 -0.114 0.000 0.889 151 D CB 0.937 41.699 40.800 -0.063 0.000 1.199 151 D HN -0.049 nan 8.370 nan 0.000 0.436 152 S N 0.890 116.456 115.700 -0.223 0.000 2.382 152 S HA -0.175 4.292 4.470 -0.005 0.000 0.228 152 S C 1.495 176.053 174.600 -0.070 0.000 1.027 152 S CA 1.172 59.251 58.200 -0.203 0.000 0.991 152 S CB -0.356 62.599 63.200 -0.409 0.000 0.823 152 S HN 0.558 nan 8.310 nan 0.000 0.469 153 E N 0.780 120.928 120.200 -0.087 0.000 2.031 153 E HA -0.130 4.217 4.350 -0.005 0.000 0.193 153 E C 1.846 178.342 176.600 -0.173 0.000 0.994 153 E CA 1.480 57.800 56.400 -0.132 0.000 0.800 153 E CB -0.312 29.232 29.700 -0.259 0.000 0.752 153 E HN 0.647 nan 8.360 nan 0.000 0.447 154 H N -1.075 118.030 119.070 0.058 0.000 2.470 154 H HA 0.116 4.669 4.556 -0.005 0.000 0.289 154 H C 2.055 177.466 175.328 0.139 0.000 1.033 154 H CA 1.119 57.258 56.048 0.151 0.000 1.331 154 H CB 0.035 29.847 29.762 0.083 0.000 1.414 154 H HN 0.021 nan 8.280 nan 0.000 0.545 155 S N 0.200 115.987 115.700 0.145 0.000 2.356 155 S HA -0.199 4.268 4.470 -0.005 0.000 0.223 155 S C 2.416 177.110 174.600 0.158 0.000 1.032 155 S CA 0.993 59.273 58.200 0.132 0.000 1.005 155 S CB -0.399 62.858 63.200 0.095 0.000 0.867 155 S HN 0.525 nan 8.310 nan 0.000 0.449 156 A N 1.504 124.394 122.820 0.116 0.000 1.877 156 A HA 0.002 4.319 4.320 -0.005 0.000 0.216 156 A C 2.227 179.846 177.584 0.060 0.000 1.186 156 A CA 1.587 53.691 52.037 0.111 0.000 0.620 156 A CB -0.941 18.129 19.000 0.118 0.000 0.822 156 A HN 0.569 nan 8.150 nan 0.000 0.443 157 L N -0.779 120.442 121.223 -0.003 0.000 2.012 157 L HA -0.243 4.094 4.340 -0.005 0.000 0.210 157 L C 3.128 179.894 176.870 -0.174 0.000 1.073 157 L CA 1.237 55.979 54.840 -0.163 0.000 0.748 157 L CB -0.605 41.272 42.059 -0.302 0.000 0.891 157 L HN 0.458 nan 8.230 nan 0.000 0.431 158 A N -0.553 122.296 122.820 0.049 0.000 1.902 158 A HA -0.252 4.066 4.320 -0.005 0.000 0.217 158 A C 2.218 179.969 177.584 0.279 0.000 1.181 158 A CA 1.625 53.771 52.037 0.181 0.000 0.623 158 A CB -0.469 18.644 19.000 0.188 0.000 0.818 158 A HN 0.496 nan 8.150 nan 0.000 0.443 159 Q N -1.126 118.840 119.800 0.277 0.000 2.079 159 Q HA -0.170 4.168 4.340 -0.005 0.000 0.200 159 Q C 2.267 178.363 176.000 0.160 0.000 0.974 159 Q CA 1.667 57.617 55.803 0.245 0.000 0.840 159 Q CB -0.397 28.465 28.738 0.206 0.000 0.898 159 Q HN 0.746 nan 8.270 nan 0.000 0.430 160 C N 0.385 119.753 119.300 0.113 0.000 2.446 160 C HA -0.026 4.431 4.460 -0.005 0.000 0.279 160 C C 2.404 177.505 174.990 0.185 0.000 1.366 160 C CA 0.273 59.362 59.018 0.120 0.000 1.763 160 C CB -0.800 26.974 27.740 0.057 0.000 1.929 160 C HN 0.467 nan 8.230 nan 0.000 0.509 161 L N 0.397 121.677 121.223 0.095 0.000 2.362 161 L HA -0.096 4.241 4.340 -0.005 0.000 0.219 161 L C 2.606 179.599 176.870 0.206 0.000 1.134 161 L CA 1.078 55.993 54.840 0.126 0.000 0.807 161 L CB -0.468 41.562 42.059 -0.048 0.000 0.927 161 L HN 0.350 nan 8.230 nan 0.000 0.447 162 R N -0.273 120.329 120.500 0.169 0.000 2.237 162 R HA -0.074 4.263 4.340 -0.005 0.000 0.219 162 R C 2.201 178.537 176.300 0.059 0.000 1.080 162 R CA 0.851 57.021 56.100 0.117 0.000 0.995 162 R CB -0.453 29.905 30.300 0.097 0.000 0.875 162 R HN 0.374 nan 8.270 nan 0.000 0.462 163 G N 0.057 108.907 108.800 0.083 0.000 2.559 163 G HA2 0.040 3.997 3.960 -0.005 0.000 0.216 163 G HA3 0.040 3.997 3.960 -0.005 0.000 0.216 163 G C 0.442 175.019 174.900 -0.538 0.000 1.126 163 G CA 0.701 45.707 45.100 -0.158 0.000 0.778 163 G HN 0.447 nan 8.290 nan 0.000 0.543 164 G N -1.408 107.229 108.800 -0.272 0.000 2.606 164 G HA2 0.512 4.469 3.960 -0.005 0.000 0.300 164 G HA3 0.512 4.469 3.960 -0.005 0.000 0.300 164 G C -0.511 174.426 174.900 0.061 0.000 1.360 164 G CA 0.130 45.097 45.100 -0.222 0.000 0.783 164 G HN 0.471 nan 8.290 nan 0.000 0.484 165 T N -1.240 113.350 114.554 0.060 0.000 2.874 165 T HA 0.521 4.868 4.350 -0.005 0.000 0.281 165 T C -1.597 173.177 174.700 0.122 0.000 0.994 165 T CA -1.212 60.936 62.100 0.080 0.000 1.015 165 T CB 1.952 70.848 68.868 0.045 0.000 1.028 165 T HN 0.116 nan 8.240 nan 0.000 0.523 166 P HA -0.136 nan 4.420 nan 0.000 0.216 166 P C 1.358 178.698 177.300 0.067 0.000 1.150 166 P CA 1.209 64.355 63.100 0.077 0.000 0.843 166 P CB -0.064 31.671 31.700 0.058 0.000 0.787 167 D N -0.222 120.215 120.400 0.062 0.000 2.350 167 D HA -0.167 4.470 4.640 -0.005 0.000 0.216 167 D C 1.174 177.517 176.300 0.071 0.000 0.968 167 D CA 0.905 54.937 54.000 0.052 0.000 0.894 167 D CB -0.557 40.267 40.800 0.040 0.000 0.909 167 D HN 0.295 nan 8.370 nan 0.000 0.520 168 E N 0.139 120.411 120.200 0.119 0.000 2.478 168 E HA 0.088 4.435 4.350 -0.005 0.000 0.194 168 E C 0.130 176.877 176.600 0.244 0.000 1.045 168 E CA -0.166 56.347 56.400 0.188 0.000 0.868 168 E CB 0.985 30.812 29.700 0.211 0.000 0.885 168 E HN 0.087 nan 8.360 nan 0.000 0.505 169 V N 1.539 121.518 119.914 0.109 0.000 2.470 169 V HA 0.076 4.193 4.120 -0.005 0.000 0.276 169 V C 0.878 176.916 176.094 -0.092 0.000 1.040 169 V CA 0.339 62.577 62.300 -0.103 0.000 1.008 169 V CB 1.076 32.811 31.823 -0.147 0.000 0.990 169 V HN 0.206 nan 8.190 nan 0.000 0.477 170 A N 5.611 128.346 122.820 -0.142 0.000 1.920 170 A HA 0.310 4.627 4.320 -0.005 0.000 0.209 170 A C 0.870 178.389 177.584 -0.108 0.000 1.229 170 A CA 0.585 52.569 52.037 -0.087 0.000 0.671 170 A CB 0.286 19.253 19.000 -0.055 0.000 0.886 170 A HN 0.680 nan 8.150 nan 0.000 0.461 171 K N -0.490 119.811 120.400 -0.165 0.000 2.502 171 K HA 0.640 4.957 4.320 -0.005 0.000 0.257 171 K C -1.679 174.805 176.600 -0.194 0.000 0.938 171 K CA -0.436 55.767 56.287 -0.140 0.000 0.819 171 K CB 2.221 34.657 32.500 -0.106 0.000 1.333 171 K HN 0.176 nan 8.250 nan 0.000 0.434 172 L N 2.288 123.421 121.223 -0.149 0.000 2.295 172 L HA 0.527 4.865 4.340 -0.005 0.000 0.285 172 L C -0.619 176.187 176.870 -0.107 0.000 1.035 172 L CA -1.238 53.505 54.840 -0.161 0.000 0.806 172 L CB 1.663 43.630 42.059 -0.152 0.000 1.214 172 L HN 0.268 nan 8.230 nan 0.000 0.426 173 V N 4.754 124.602 119.914 -0.110 0.000 2.326 173 V HA 0.302 4.419 4.120 -0.005 0.000 0.281 173 V C -0.025 176.039 176.094 -0.050 0.000 1.015 173 V CA -0.459 61.799 62.300 -0.070 0.000 0.823 173 V CB 1.501 33.275 31.823 -0.082 0.000 1.009 173 V HN 0.460 nan 8.190 nan 0.000 0.436 174 L N 5.093 126.299 121.223 -0.028 0.000 2.305 174 L HA 0.484 4.821 4.340 -0.005 0.000 0.281 174 L C 0.973 177.865 176.870 0.037 0.000 1.085 174 L CA 0.469 55.298 54.840 -0.018 0.000 0.813 174 L CB 1.620 43.663 42.059 -0.028 0.000 1.157 174 L HN 0.814 nan 8.230 nan 0.000 0.436 175 T N 0.722 115.317 114.554 0.068 0.000 2.882 175 T HA 0.820 5.167 4.350 -0.005 0.000 0.287 175 T C -0.167 174.608 174.700 0.125 0.000 0.992 175 T CA -0.760 61.422 62.100 0.137 0.000 1.076 175 T CB 1.606 70.591 68.868 0.194 0.000 0.961 175 T HN 0.689 nan 8.240 nan 0.000 0.490 176 A N 1.729 124.625 122.820 0.126 0.000 2.386 176 A HA 0.652 4.969 4.320 -0.005 0.000 0.311 176 A C 1.197 178.834 177.584 0.088 0.000 1.068 176 A CA -0.360 51.732 52.037 0.092 0.000 0.743 176 A CB 1.451 20.476 19.000 0.042 0.000 1.258 176 A HN 1.142 nan 8.150 nan 0.000 0.429 177 S N 1.543 117.308 115.700 0.109 0.000 2.402 177 S HA 0.254 4.722 4.470 -0.005 0.000 0.229 177 S C 1.513 176.072 174.600 -0.068 0.000 1.021 177 S CA 1.649 59.878 58.200 0.048 0.000 0.974 177 S CB -0.209 63.098 63.200 0.180 0.000 0.800 177 S HN 2.695 nan 8.310 nan 0.000 0.484 178 G N 0.360 109.106 108.800 -0.091 0.000 2.213 178 G HA2 0.250 4.207 3.960 -0.005 0.000 0.226 178 G HA3 0.250 4.207 3.960 -0.005 0.000 0.226 178 G C 1.193 175.912 174.900 -0.301 0.000 0.992 178 G CA 0.245 45.221 45.100 -0.208 0.000 0.632 178 G HN 1.906 nan 8.290 nan 0.000 0.511 179 G N -0.019 108.611 108.800 -0.285 0.000 2.855 179 G HA2 0.154 4.111 3.960 -0.005 0.000 0.352 179 G HA3 0.154 4.111 3.960 -0.005 0.000 0.352 179 G C -0.720 173.826 174.900 -0.590 0.000 1.415 179 G CA 0.342 45.185 45.100 -0.429 0.000 0.871 179 G HN 0.834 nan 8.290 nan 0.000 0.543 180 P HA 0.001 nan 4.420 nan 0.000 0.222 180 P C 1.081 177.764 177.300 -1.028 0.000 1.147 180 P CA 1.513 64.051 63.100 -0.937 0.000 0.790 180 P CB -0.109 30.880 31.700 -1.186 0.000 0.780 181 F N -0.821 118.733 119.950 -0.660 0.000 2.647 181 F HA 0.280 4.804 4.527 -0.005 0.000 0.300 181 F C 1.329 176.924 175.800 -0.341 0.000 1.106 181 F CA -1.056 56.286 58.000 -1.096 0.000 1.313 181 F CB -0.164 38.293 39.000 -0.905 0.000 1.007 181 F HN -0.278 nan 8.300 nan 0.000 0.536 182 R N 1.421 121.838 120.500 -0.139 0.000 2.504 182 R HA 0.202 4.539 4.340 -0.005 0.000 0.291 182 R C 1.265 177.730 176.300 0.275 0.000 0.974 182 R CA 1.317 57.422 56.100 0.007 0.000 1.077 182 R CB -0.014 30.239 30.300 -0.078 0.000 0.926 182 R HN 0.574 nan 8.270 nan 0.000 0.407 183 G N 3.371 112.384 108.800 0.355 0.000 2.176 183 G HA2 -0.245 3.712 3.960 -0.005 0.000 0.253 183 G HA3 -0.245 3.712 3.960 -0.005 0.000 0.253 183 G C -0.528 174.662 174.900 0.483 0.000 0.979 183 G CA 0.083 45.405 45.100 0.369 0.000 0.641 183 G HN 0.590 nan 8.290 nan 0.000 0.530 184 W N 2.238 123.699 121.300 0.268 0.000 2.184 184 W HA 0.624 5.281 4.660 -0.005 0.000 0.338 184 W C 1.231 177.822 176.519 0.120 0.000 1.257 184 W CA -0.273 57.190 57.345 0.196 0.000 1.243 184 W CB 0.711 30.308 29.460 0.229 0.000 1.122 184 W HN 0.527 nan 8.180 nan 0.000 0.585 185 S N 0.877 116.709 115.700 0.220 0.000 2.632 185 S HA 0.555 5.023 4.470 -0.005 0.000 0.267 185 S C 1.015 175.641 174.600 0.044 0.000 1.276 185 S CA -0.202 58.055 58.200 0.094 0.000 0.998 185 S CB 1.364 64.586 63.200 0.036 0.000 0.953 185 S HN 0.628 nan 8.310 nan 0.000 0.547 186 A N 1.457 124.261 122.820 -0.027 0.000 1.933 186 A HA 0.127 4.444 4.320 -0.005 0.000 0.218 186 A C 2.366 179.913 177.584 -0.061 0.000 1.175 186 A CA 1.813 53.806 52.037 -0.073 0.000 0.628 186 A CB -1.674 17.278 19.000 -0.080 0.000 0.814 186 A HN 1.342 nan 8.150 nan 0.000 0.444 187 A N -0.028 122.766 122.820 -0.044 0.000 1.902 187 A HA -0.181 4.136 4.320 -0.005 0.000 0.217 187 A C 1.785 179.320 177.584 -0.082 0.000 1.181 187 A CA 1.779 53.778 52.037 -0.064 0.000 0.623 187 A CB -0.546 18.444 19.000 -0.018 0.000 0.818 187 A HN 0.471 nan 8.150 nan 0.000 0.443 188 D N 0.168 120.568 120.400 -0.000 0.000 2.123 188 D HA -0.125 4.513 4.640 -0.005 0.000 0.196 188 D C 1.880 178.266 176.300 0.144 0.000 0.992 188 D CA 1.030 55.063 54.000 0.055 0.000 0.833 188 D CB -0.309 40.490 40.800 -0.002 0.000 0.954 188 D HN 0.453 nan 8.370 nan 0.000 0.455 189 L N 0.856 122.139 121.223 0.099 0.000 2.275 189 L HA -0.122 4.215 4.340 -0.005 0.000 0.215 189 L C 2.202 179.037 176.870 -0.058 0.000 1.119 189 L CA 0.789 55.642 54.840 0.022 0.000 0.790 189 L CB -0.343 41.731 42.059 0.024 0.000 0.919 189 L HN 0.023 nan 8.230 nan 0.000 0.443 190 E N -0.538 119.537 120.200 -0.207 0.000 2.160 190 E HA -0.219 4.128 4.350 -0.005 0.000 0.195 190 E C 1.601 178.055 176.600 -0.244 0.000 0.991 190 E CA 1.040 57.257 56.400 -0.305 0.000 0.810 190 E CB -0.009 29.376 29.700 -0.525 0.000 0.742 190 E HN 0.628 nan 8.360 nan 0.000 0.466 191 H N -0.779 118.328 119.070 0.062 0.000 2.575 191 H HA 0.150 4.703 4.556 -0.005 0.000 0.267 191 H C 0.375 175.745 175.328 0.070 0.000 0.966 191 H CA -0.063 56.024 56.048 0.065 0.000 1.165 191 H CB 0.057 29.848 29.762 0.049 0.000 1.433 191 H HN -0.074 nan 8.280 nan 0.000 0.544 192 V N 3.729 123.684 119.914 0.069 0.000 2.644 192 V HA -0.068 4.049 4.120 -0.005 0.000 0.305 192 V C 1.160 177.352 176.094 0.163 0.000 1.053 192 V CA 0.679 62.923 62.300 -0.093 0.000 1.186 192 V CB 0.521 31.879 31.823 -0.774 0.000 0.895 192 V HN 0.477 nan 8.190 nan 0.000 0.490 193 T N 3.252 117.907 114.554 0.168 0.000 2.943 193 T HA 0.421 4.768 4.350 -0.005 0.000 0.284 193 T C -1.792 173.060 174.700 0.253 0.000 1.015 193 T CA -2.159 60.048 62.100 0.177 0.000 1.042 193 T CB 1.839 70.767 68.868 0.100 0.000 1.055 193 T HN 0.394 nan 8.240 nan 0.000 0.500 194 P HA -0.095 nan 4.420 nan 0.000 0.217 194 P C 1.285 178.659 177.300 0.124 0.000 1.148 194 P CA 1.097 64.207 63.100 0.017 0.000 0.828 194 P CB 0.123 31.662 31.700 -0.268 0.000 0.783 195 E N -0.562 119.689 120.200 0.085 0.000 2.072 195 E HA -0.185 4.162 4.350 -0.005 0.000 0.191 195 E C 2.134 178.802 176.600 0.114 0.000 0.985 195 E CA 0.902 57.352 56.400 0.084 0.000 0.801 195 E CB -0.303 29.433 29.700 0.060 0.000 0.750 195 E HN 0.426 nan 8.360 nan 0.000 0.452 196 Q N 0.180 120.075 119.800 0.159 0.000 2.084 196 Q HA -0.103 4.234 4.340 -0.005 0.000 0.202 196 Q C 2.066 178.189 176.000 0.206 0.000 0.978 196 Q CA 1.343 57.268 55.803 0.203 0.000 0.844 196 Q CB -0.092 28.822 28.738 0.293 0.000 0.898 196 Q HN 0.182 nan 8.270 nan 0.000 0.426 197 A N 0.385 123.386 122.820 0.302 0.000 2.167 197 A HA 0.055 4.373 4.320 -0.005 0.000 0.214 197 A C 1.938 179.612 177.584 0.151 0.000 1.151 197 A CA 0.999 53.187 52.037 0.251 0.000 0.735 197 A CB -0.291 18.930 19.000 0.369 0.000 0.802 197 A HN 0.423 nan 8.150 nan 0.000 0.467 198 G N -1.120 107.762 108.800 0.137 0.000 2.985 198 G HA2 0.427 4.384 3.960 -0.005 0.000 0.209 198 G HA3 0.427 4.384 3.960 -0.005 0.000 0.209 198 G C 0.471 175.408 174.900 0.062 0.000 1.165 198 G CA 0.687 45.849 45.100 0.105 0.000 0.776 198 G HN 0.734 nan 8.290 nan 0.000 0.541 199 A N -0.066 122.767 122.820 0.021 0.000 2.340 199 A HA 0.705 5.022 4.320 -0.005 0.000 0.331 199 A C -1.126 176.447 177.584 -0.018 0.000 1.140 199 A CA -0.666 51.373 52.037 0.002 0.000 0.801 199 A CB 1.213 20.197 19.000 -0.026 0.000 1.234 199 A HN 0.277 nan 8.150 nan 0.000 0.469 200 H N 2.803 121.830 119.070 -0.072 0.000 2.600 200 H HA 0.369 4.922 4.556 -0.005 0.000 0.357 200 H C -1.837 173.447 175.328 -0.074 0.000 1.106 200 H CA -1.529 54.472 56.048 -0.078 0.000 1.193 200 H CB 2.443 32.210 29.762 0.007 0.000 1.594 200 H HN 0.510 nan 8.280 nan 0.000 0.526 201 P HA -0.091 nan 4.420 nan 0.000 0.220 201 P C 0.919 178.156 177.300 -0.104 0.000 1.148 201 P CA 1.344 64.303 63.100 -0.235 0.000 0.803 201 P CB 0.473 31.982 31.700 -0.318 0.000 0.782 202 T N -7.661 106.931 114.554 0.062 0.000 2.980 202 T HA 0.147 4.494 4.350 -0.005 0.000 0.252 202 T C 0.103 174.682 174.700 -0.200 0.000 0.962 202 T CA -0.404 61.643 62.100 -0.088 0.000 0.932 202 T CB -0.284 68.446 68.868 -0.231 0.000 1.188 202 T HN -0.029 nan 8.240 nan 0.000 0.500 203 W N 1.535 122.963 121.300 0.215 0.000 2.689 203 W HA 0.746 5.403 4.660 -0.005 0.000 0.340 203 W C -0.238 176.244 176.519 -0.062 0.000 1.060 203 W CA -0.966 56.346 57.345 -0.055 0.000 1.218 203 W CB 1.988 31.279 29.460 -0.281 0.000 1.410 203 W HN -0.069 nan 8.180 nan 0.000 0.528 204 S N 3.796 119.612 115.700 0.193 0.000 2.461 204 S HA 0.733 5.200 4.470 -0.005 0.000 0.322 204 S C -0.557 174.083 174.600 0.067 0.000 1.063 204 S CA -0.407 57.851 58.200 0.098 0.000 1.120 204 S CB -0.363 62.873 63.200 0.060 0.000 0.968 204 S HN 0.469 nan 8.310 nan 0.000 0.467 205 M N 2.807 122.419 119.600 0.021 0.000 2.719 205 M HA 0.531 5.008 4.480 -0.005 0.000 0.291 205 M C 0.815 177.104 176.300 -0.019 0.000 1.264 205 M CA -1.029 54.256 55.300 -0.025 0.000 0.811 205 M CB 1.410 33.956 32.600 -0.090 0.000 1.756 205 M HN 0.636 nan 8.290 nan 0.000 0.464 206 G N 0.373 109.154 108.800 -0.032 0.000 2.716 206 G HA2 0.261 4.218 3.960 -0.005 0.000 0.251 206 G HA3 0.261 4.218 3.960 -0.005 0.000 0.251 206 G C -2.214 172.686 174.900 0.000 0.000 1.224 206 G CA -0.948 44.141 45.100 -0.018 0.000 0.891 206 G HN 0.440 nan 8.290 nan 0.000 0.561 207 P HA -0.103 nan 4.420 nan 0.000 0.217 207 P C 1.966 179.296 177.300 0.049 0.000 1.150 207 P CA 0.909 64.035 63.100 0.043 0.000 0.832 207 P CB 0.068 31.799 31.700 0.051 0.000 0.787 208 M N -0.364 119.254 119.600 0.030 0.000 2.156 208 M HA -0.054 4.424 4.480 -0.005 0.000 0.264 208 M C 1.790 178.099 176.300 0.015 0.000 1.067 208 M CA 1.620 56.937 55.300 0.028 0.000 1.131 208 M CB -1.381 31.226 32.600 0.011 0.000 1.368 208 M HN -0.223 nan 8.290 nan 0.000 0.416 209 N N -0.905 117.786 118.700 -0.016 0.000 2.244 209 N HA -0.101 4.636 4.740 -0.005 0.000 0.183 209 N C 1.287 176.773 175.510 -0.040 0.000 1.016 209 N CA 1.808 54.828 53.050 -0.050 0.000 0.866 209 N CB -0.178 38.247 38.487 -0.104 0.000 0.980 209 N HN 0.419 nan 8.380 nan 0.000 0.430 210 T N 1.469 116.017 114.554 -0.011 0.000 2.708 210 T HA -0.137 4.211 4.350 -0.005 0.000 0.266 210 T C 1.907 176.667 174.700 0.100 0.000 1.037 210 T CA 0.940 63.062 62.100 0.036 0.000 1.146 210 T CB -0.352 68.550 68.868 0.057 0.000 0.865 210 T HN 0.134 nan 8.240 nan 0.000 0.435 211 L N 2.081 123.375 121.223 0.118 0.000 1.994 211 L HA -0.052 4.285 4.340 -0.005 0.000 0.208 211 L C 1.944 178.908 176.870 0.157 0.000 1.071 211 L CA 1.761 56.711 54.840 0.183 0.000 0.745 211 L CB -0.970 41.210 42.059 0.201 0.000 0.892 211 L HN 0.087 nan 8.230 nan 0.000 0.431 212 N N -0.624 118.127 118.700 0.085 0.000 2.205 212 N HA -0.153 4.585 4.740 -0.005 0.000 0.186 212 N C 1.887 177.440 175.510 0.072 0.000 1.015 212 N CA 1.476 54.560 53.050 0.056 0.000 0.862 212 N CB -0.398 38.101 38.487 0.021 0.000 0.986 212 N HN 0.370 nan 8.380 nan 0.000 0.429 213 S N 0.153 115.897 115.700 0.073 0.000 2.406 213 S HA 0.066 4.533 4.470 -0.005 0.000 0.228 213 S C 1.975 176.639 174.600 0.107 0.000 1.020 213 S CA 0.783 59.040 58.200 0.095 0.000 0.965 213 S CB -0.076 63.201 63.200 0.129 0.000 0.798 213 S HN 0.500 nan 8.310 nan 0.000 0.488 214 A N 1.579 124.486 122.820 0.145 0.000 1.929 214 A HA -0.027 4.290 4.320 -0.005 0.000 0.216 214 A C 2.229 180.104 177.584 0.486 0.000 1.176 214 A CA 1.629 53.765 52.037 0.165 0.000 0.628 214 A CB -0.584 18.518 19.000 0.170 0.000 0.816 214 A HN 0.580 nan 8.150 nan 0.000 0.444 215 S N -1.651 114.299 115.700 0.416 0.000 2.528 215 S HA 0.226 4.693 4.470 -0.005 0.000 0.219 215 S C 0.880 175.613 174.600 0.221 0.000 0.985 215 S CA 0.547 58.917 58.200 0.284 0.000 0.914 215 S CB 0.053 63.208 63.200 -0.075 0.000 0.776 215 S HN 0.587 nan 8.310 nan 0.000 0.526 216 L N -0.158 121.150 121.223 0.141 0.000 4.937 216 L HA -0.181 4.156 4.340 -0.005 0.000 0.422 216 L C 1.396 178.333 176.870 0.111 0.000 1.059 216 L CA 0.696 55.589 54.840 0.088 0.000 1.111 216 L CB -2.467 39.640 42.059 0.080 0.000 2.033 216 L HN 0.386 nan 8.230 nan 0.000 0.708 217 V N -0.410 119.562 119.914 0.096 0.000 2.515 217 V HA -0.228 3.889 4.120 -0.005 0.000 0.250 217 V C 2.214 178.387 176.094 0.133 0.000 1.058 217 V CA 2.326 64.697 62.300 0.118 0.000 1.064 217 V CB -0.437 31.382 31.823 -0.007 0.000 0.675 217 V HN 0.562 nan 8.190 nan 0.000 0.461 218 N N 0.686 119.431 118.700 0.075 0.000 2.061 218 N HA -0.246 4.491 4.740 -0.005 0.000 0.193 218 N C 1.751 177.301 175.510 0.066 0.000 1.030 218 N CA 1.733 54.813 53.050 0.050 0.000 0.856 218 N CB -0.194 38.294 38.487 0.001 0.000 1.023 218 N HN 0.234 nan 8.380 nan 0.000 0.424 219 K N -0.183 120.257 120.400 0.067 0.000 2.097 219 K HA 0.080 4.397 4.320 -0.005 0.000 0.205 219 K C 1.876 178.531 176.600 0.091 0.000 1.050 219 K CA 1.349 57.677 56.287 0.068 0.000 0.938 219 K CB -1.015 31.517 32.500 0.053 0.000 0.718 219 K HN 0.308 nan 8.250 nan 0.000 0.442 220 G N 0.658 109.529 108.800 0.118 0.000 2.446 220 G HA2 -0.237 3.720 3.960 -0.005 0.000 0.217 220 G HA3 -0.237 3.720 3.960 -0.005 0.000 0.217 220 G C 1.478 176.411 174.900 0.055 0.000 1.168 220 G CA 1.049 46.203 45.100 0.089 0.000 0.771 220 G HN 0.291 nan 8.290 nan 0.000 0.551 221 L N 0.146 121.465 121.223 0.159 0.000 2.079 221 L HA -0.078 4.259 4.340 -0.005 0.000 0.210 221 L C 2.869 179.795 176.870 0.093 0.000 1.081 221 L CA 1.241 56.158 54.840 0.128 0.000 0.752 221 L CB -0.385 41.755 42.059 0.135 0.000 0.896 221 L HN 0.304 nan 8.230 nan 0.000 0.433 222 E N -0.431 119.845 120.200 0.127 0.000 2.152 222 E HA -0.148 4.199 4.350 -0.005 0.000 0.192 222 E C 2.326 179.084 176.600 0.263 0.000 0.983 222 E CA 0.952 57.496 56.400 0.240 0.000 0.818 222 E CB 0.015 29.848 29.700 0.220 0.000 0.758 222 E HN 0.290 nan 8.360 nan 0.000 0.467 223 V N 1.557 121.574 119.914 0.172 0.000 2.343 223 V HA -0.260 3.857 4.120 -0.005 0.000 0.247 223 V C 2.234 178.476 176.094 0.248 0.000 1.051 223 V CA 1.515 63.930 62.300 0.191 0.000 1.036 223 V CB -0.345 31.572 31.823 0.157 0.000 0.654 223 V HN 0.236 nan 8.190 nan 0.000 0.451 224 I N -0.122 120.574 120.570 0.210 0.000 2.179 224 I HA -0.267 3.901 4.170 -0.005 0.000 0.242 224 I C 2.600 178.794 176.117 0.128 0.000 1.088 224 I CA 1.958 63.402 61.300 0.240 0.000 1.357 224 I CB -0.423 37.634 38.000 0.095 0.000 1.051 224 I HN 0.396 nan 8.210 nan 0.000 0.409 225 E N 0.625 120.845 120.200 0.034 0.000 2.097 225 E HA -0.254 4.093 4.350 -0.005 0.000 0.196 225 E C 2.062 178.575 176.600 -0.144 0.000 1.000 225 E CA 2.172 58.480 56.400 -0.152 0.000 0.804 225 E CB 0.014 29.497 29.700 -0.362 0.000 0.740 225 E HN 0.446 nan 8.360 nan 0.000 0.454 226 T N -0.533 114.124 114.554 0.171 0.000 2.708 226 T HA -0.214 4.133 4.350 -0.005 0.000 0.266 226 T C 1.623 176.391 174.700 0.113 0.000 1.037 226 T CA 1.710 63.998 62.100 0.312 0.000 1.146 226 T CB -0.565 68.527 68.868 0.374 0.000 0.865 226 T HN 0.409 nan 8.240 nan 0.000 0.435 227 H N 1.064 120.067 119.070 -0.111 0.000 2.353 227 H HA 0.058 4.611 4.556 -0.005 0.000 0.300 227 H C 1.979 177.198 175.328 -0.181 0.000 1.090 227 H CA 1.370 57.242 56.048 -0.293 0.000 1.327 227 H CB -0.528 28.756 29.762 -0.797 0.000 1.383 227 H HN 0.264 nan 8.280 nan 0.000 0.508 228 L N -0.483 120.598 121.223 -0.236 0.000 2.072 228 L HA -0.113 4.225 4.340 -0.005 0.000 0.205 228 L C 2.536 179.215 176.870 -0.318 0.000 1.079 228 L CA 0.919 55.594 54.840 -0.275 0.000 0.752 228 L CB -0.323 41.653 42.059 -0.138 0.000 0.906 228 L HN 0.296 nan 8.230 nan 0.000 0.436 229 L N -1.559 119.432 121.223 -0.387 0.000 2.109 229 L HA -0.113 4.225 4.340 -0.005 0.000 0.207 229 L C 1.970 178.490 176.870 -0.583 0.000 1.086 229 L CA 1.339 55.831 54.840 -0.581 0.000 0.760 229 L CB -0.159 41.363 42.059 -0.896 0.000 0.910 229 L HN 0.198 nan 8.230 nan 0.000 0.437 230 F N -1.140 118.728 119.950 -0.137 0.000 2.704 230 F HA 0.267 4.791 4.527 -0.005 0.000 0.304 230 F C 1.700 177.418 175.800 -0.137 0.000 1.094 230 F CA 0.345 58.281 58.000 -0.107 0.000 1.275 230 F CB 0.420 39.382 39.000 -0.063 0.000 1.073 230 F HN 0.129 nan 8.300 nan 0.000 0.586 231 G N 1.425 110.160 108.800 -0.107 0.000 2.166 231 G HA2 -0.280 3.677 3.960 -0.005 0.000 0.260 231 G HA3 -0.280 3.677 3.960 -0.005 0.000 0.260 231 G C 0.204 175.042 174.900 -0.103 0.000 0.986 231 G CA -0.156 44.832 45.100 -0.187 0.000 0.683 231 G HN 0.166 nan 8.290 nan 0.000 0.527 232 I N 2.043 122.594 120.570 -0.032 0.000 2.441 232 I HA 0.254 4.422 4.170 -0.005 0.000 0.287 232 I C -1.406 174.760 176.117 0.081 0.000 1.049 232 I CA -2.769 58.541 61.300 0.017 0.000 1.381 232 I CB 0.431 38.437 38.000 0.011 0.000 1.409 232 I HN -0.065 nan 8.210 nan 0.000 0.523 233 P HA -0.012 nan 4.420 nan 0.000 0.267 233 P C 0.386 177.639 177.300 -0.078 0.000 1.200 233 P CA 0.141 63.255 63.100 0.023 0.000 0.772 233 P CB 0.428 32.152 31.700 0.040 0.000 0.855 234 Y N 1.169 121.425 120.300 -0.074 0.000 2.315 234 Y HA -0.226 4.321 4.550 -0.005 0.000 0.288 234 Y C 2.166 178.044 175.900 -0.036 0.000 1.154 234 Y CA 1.892 59.941 58.100 -0.086 0.000 1.229 234 Y CB -0.615 37.746 38.460 -0.166 0.000 0.980 234 Y HN 0.407 nan 8.280 nan 0.000 0.540 235 D N -0.442 120.018 120.400 0.100 0.000 2.349 235 D HA -0.076 4.561 4.640 -0.005 0.000 0.224 235 D C 1.164 177.482 176.300 0.031 0.000 1.029 235 D CA 0.564 54.600 54.000 0.059 0.000 0.879 235 D CB -0.304 40.521 40.800 0.043 0.000 0.906 235 D HN 0.267 nan 8.370 nan 0.000 0.528 236 R N -0.052 120.459 120.500 0.018 0.000 2.509 236 R HA 0.361 4.698 4.340 -0.005 0.000 0.300 236 R C -0.021 176.269 176.300 -0.017 0.000 0.985 236 R CA -0.235 55.861 56.100 -0.008 0.000 1.092 236 R CB 0.797 31.085 30.300 -0.019 0.000 1.237 236 R HN 0.195 nan 8.270 nan 0.000 0.546 237 I N 1.724 122.299 120.570 0.008 0.000 2.371 237 I HA 0.184 4.351 4.170 -0.005 0.000 0.282 237 I C -0.606 175.527 176.117 0.027 0.000 1.031 237 I CA -0.636 60.672 61.300 0.014 0.000 1.180 237 I CB 1.245 39.268 38.000 0.039 0.000 1.336 237 I HN -0.202 nan 8.210 nan 0.000 0.467 238 D N 5.330 125.732 120.400 0.003 0.000 2.253 238 D HA 0.461 5.098 4.640 -0.005 0.000 0.249 238 D C -0.390 175.923 176.300 0.021 0.000 1.049 238 D CA -0.179 53.828 54.000 0.011 0.000 0.929 238 D CB 2.625 43.419 40.800 -0.010 0.000 1.176 238 D HN 0.043 nan 8.370 nan 0.000 0.437 239 V N 1.688 121.624 119.914 0.037 0.000 2.540 239 V HA 0.445 4.562 4.120 -0.005 0.000 0.302 239 V C -0.349 175.783 176.094 0.063 0.000 1.035 239 V CA -0.750 61.579 62.300 0.048 0.000 0.873 239 V CB 2.162 34.018 31.823 0.056 0.000 0.992 239 V HN 0.272 nan 8.190 nan 0.000 0.428 240 V N 5.940 125.906 119.914 0.086 0.000 2.709 240 V HA 0.593 4.711 4.120 -0.005 0.000 0.308 240 V C -0.554 175.641 176.094 0.169 0.000 1.062 240 V CA -0.429 61.950 62.300 0.132 0.000 0.901 240 V CB 2.558 34.472 31.823 0.151 0.000 1.003 240 V HN 0.616 nan 8.190 nan 0.000 0.425 241 V N 6.047 126.056 119.914 0.158 0.000 2.488 241 V HA 0.351 4.468 4.120 -0.005 0.000 0.277 241 V C -0.370 175.831 176.094 0.178 0.000 1.046 241 V CA -0.191 62.183 62.300 0.124 0.000 0.986 241 V CB 0.970 32.828 31.823 0.057 0.000 0.989 241 V HN 0.975 nan 8.190 nan 0.000 0.475 242 H N 7.264 126.333 119.070 -0.001 0.000 2.917 242 H HA 0.429 4.982 4.556 -0.005 0.000 0.279 242 H C -2.425 172.832 175.328 -0.118 0.000 1.211 242 H CA -2.011 53.956 56.048 -0.135 0.000 1.534 242 H CB 2.067 31.726 29.762 -0.171 0.000 1.581 242 H HN 0.308 nan 8.280 nan 0.000 0.510 243 P HA -0.130 nan 4.420 nan 0.000 0.220 243 P C 0.955 178.014 177.300 -0.402 0.000 1.148 243 P CA 1.008 63.937 63.100 -0.285 0.000 0.803 243 P CB 0.473 32.068 31.700 -0.174 0.000 0.782 244 Q N -1.056 118.334 119.800 -0.684 0.000 2.369 244 Q HA 0.058 4.395 4.340 -0.005 0.000 0.206 244 Q C 0.855 176.545 176.000 -0.516 0.000 0.963 244 Q CA 0.581 56.058 55.803 -0.544 0.000 0.894 244 Q CB -0.829 27.663 28.738 -0.411 0.000 0.965 244 Q HN 0.012 nan 8.270 nan 0.000 0.475 245 S N -0.714 114.624 115.700 -0.603 0.000 3.581 245 S HA -0.220 4.247 4.470 -0.005 0.000 0.354 245 S C 0.697 175.187 174.600 -0.184 0.000 1.059 245 S CA 0.692 58.801 58.200 -0.151 0.000 1.060 245 S CB -1.725 61.479 63.200 0.007 0.000 0.908 245 S HN 0.406 nan 8.310 nan 0.000 0.475 246 I N -0.279 120.118 120.570 -0.289 0.000 2.685 246 I HA 0.202 4.370 4.170 -0.005 0.000 0.251 246 I C 1.046 176.609 176.117 -0.923 0.000 1.102 246 I CA 0.404 61.376 61.300 -0.547 0.000 1.442 246 I CB 0.093 37.737 38.000 -0.592 0.000 1.194 246 I HN 0.295 nan 8.210 nan 0.000 0.448 247 I N 1.997 122.111 120.570 -0.759 0.000 2.598 247 I HA -0.098 4.069 4.170 -0.005 0.000 0.284 247 I C 1.074 176.978 176.117 -0.355 0.000 1.140 247 I CA 0.401 61.310 61.300 -0.652 0.000 1.420 247 I CB 0.418 38.053 38.000 -0.609 0.000 1.387 247 I HN 0.288 nan 8.210 nan 0.000 0.553 248 H N 3.647 122.710 119.070 -0.011 0.000 2.648 248 H HA 0.387 4.940 4.556 -0.005 0.000 0.265 248 H C 0.129 175.467 175.328 0.017 0.000 0.961 248 H CA 0.053 56.138 56.048 0.061 0.000 1.185 248 H CB 0.858 30.674 29.762 0.089 0.000 1.449 248 H HN 0.602 nan 8.280 nan 0.000 0.523 249 S N -0.442 115.299 115.700 0.069 0.000 2.719 249 S HA 0.331 4.798 4.470 -0.005 0.000 0.272 249 S C -1.342 173.248 174.600 -0.017 0.000 0.964 249 S CA -0.802 57.403 58.200 0.007 0.000 0.944 249 S CB 1.067 64.244 63.200 -0.039 0.000 1.199 249 S HN 0.143 nan 8.310 nan 0.000 0.461 250 M N 1.181 120.749 119.600 -0.054 0.000 2.569 250 M HA 0.670 5.147 4.480 -0.005 0.000 0.279 250 M C -1.547 174.672 176.300 -0.135 0.000 1.253 250 M CA -0.951 54.309 55.300 -0.067 0.000 0.867 250 M CB 2.047 34.608 32.600 -0.065 0.000 1.727 250 M HN 0.325 nan 8.290 nan 0.000 0.467 251 V N 0.814 120.628 119.914 -0.166 0.000 2.448 251 V HA 0.458 4.575 4.120 -0.005 0.000 0.295 251 V C -0.322 175.532 176.094 -0.401 0.000 1.025 251 V CA -0.523 61.559 62.300 -0.364 0.000 0.859 251 V CB 1.844 33.340 31.823 -0.544 0.000 0.988 251 V HN 0.910 nan 8.190 nan 0.000 0.431 252 T N 5.846 120.174 114.554 -0.376 0.000 2.771 252 T HA 0.614 4.961 4.350 -0.005 0.000 0.291 252 T C -0.391 174.080 174.700 -0.382 0.000 0.954 252 T CA 0.110 62.061 62.100 -0.249 0.000 1.045 252 T CB 0.314 69.101 68.868 -0.135 0.000 0.917 252 T HN 0.292 nan 8.240 nan 0.000 0.484 253 F N 1.679 121.609 119.950 -0.033 0.000 2.408 253 F HA 0.405 4.929 4.527 -0.005 0.000 0.325 253 F C 1.870 177.658 175.800 -0.021 0.000 1.082 253 F CA -1.301 56.684 58.000 -0.026 0.000 1.032 253 F CB 0.619 39.606 39.000 -0.022 0.000 1.259 253 F HN 0.538 nan 8.300 nan 0.000 0.503 254 I N -1.482 119.198 120.570 0.183 0.000 2.700 254 I HA -0.151 4.016 4.170 -0.005 0.000 0.261 254 I C 1.228 177.387 176.117 0.071 0.000 1.219 254 I CA 1.191 62.545 61.300 0.089 0.000 1.463 254 I CB -0.579 37.465 38.000 0.073 0.000 1.092 254 I HN 0.542 nan 8.210 nan 0.000 0.452 255 D N 0.952 121.405 120.400 0.088 0.000 2.350 255 D HA 0.137 4.775 4.640 -0.005 0.000 0.213 255 D C 1.700 178.028 176.300 0.046 0.000 1.031 255 D CA 0.735 54.765 54.000 0.051 0.000 0.861 255 D CB 0.245 41.066 40.800 0.033 0.000 0.926 255 D HN 0.493 nan 8.370 nan 0.000 0.520 256 G N -0.360 108.477 108.800 0.063 0.000 2.195 256 G HA2 -0.234 3.723 3.960 -0.005 0.000 0.224 256 G HA3 -0.234 3.723 3.960 -0.005 0.000 0.224 256 G C 0.247 175.181 174.900 0.058 0.000 0.990 256 G CA 0.162 45.289 45.100 0.044 0.000 0.639 256 G HN 0.548 nan 8.290 nan 0.000 0.514 257 S N 0.690 116.450 115.700 0.101 0.000 2.548 257 S HA 0.626 5.093 4.470 -0.005 0.000 0.277 257 S C 0.357 175.075 174.600 0.198 0.000 1.315 257 S CA 0.873 59.144 58.200 0.118 0.000 1.050 257 S CB 0.840 64.092 63.200 0.087 0.000 0.918 257 S HN 0.451 nan 8.310 nan 0.000 0.497 258 T N 5.782 120.413 114.554 0.129 0.000 2.807 258 T HA 0.519 4.866 4.350 -0.005 0.000 0.279 258 T C -0.703 174.084 174.700 0.144 0.000 0.993 258 T CA -0.543 61.625 62.100 0.112 0.000 0.970 258 T CB 0.676 69.548 68.868 0.006 0.000 0.950 258 T HN 0.458 nan 8.240 nan 0.000 0.441 259 I N 2.905 123.594 120.570 0.198 0.000 2.378 259 I HA 0.671 4.838 4.170 -0.005 0.000 0.291 259 I C 0.180 176.358 176.117 0.102 0.000 0.992 259 I CA -0.888 60.520 61.300 0.181 0.000 1.154 259 I CB 1.031 39.213 38.000 0.304 0.000 1.315 259 I HN 0.710 nan 8.210 nan 0.000 0.448 260 A N 6.604 129.477 122.820 0.088 0.000 2.380 260 A HA 0.695 5.012 4.320 -0.005 0.000 0.315 260 A C -0.725 176.901 177.584 0.070 0.000 1.101 260 A CA -0.570 51.502 52.037 0.059 0.000 0.771 260 A CB 2.324 21.356 19.000 0.054 0.000 1.287 260 A HN 0.637 nan 8.150 nan 0.000 0.436 261 Q N 0.545 120.374 119.800 0.049 0.000 2.309 261 Q HA 0.709 5.046 4.340 -0.005 0.000 0.264 261 Q C -1.145 174.850 176.000 -0.008 0.000 1.008 261 Q CA -0.464 55.383 55.803 0.073 0.000 0.853 261 Q CB 1.925 30.736 28.738 0.122 0.000 1.314 261 Q HN 1.166 nan 8.270 nan 0.000 0.448 262 A N 2.240 125.057 122.820 -0.005 0.000 2.486 262 A HA 0.795 5.112 4.320 -0.005 0.000 0.300 262 A C -1.282 176.286 177.584 -0.026 0.000 1.048 262 A CA -0.098 51.819 52.037 -0.200 0.000 0.696 262 A CB 1.571 20.364 19.000 -0.345 0.000 1.278 262 A HN 0.877 nan 8.150 nan 0.000 0.405 263 S N 0.680 116.334 115.700 -0.076 0.000 2.565 263 S HA 0.735 5.202 4.470 -0.005 0.000 0.274 263 S C -3.486 171.148 174.600 0.057 0.000 1.144 263 S CA -1.188 57.061 58.200 0.082 0.000 0.849 263 S CB 1.191 64.510 63.200 0.200 0.000 1.103 263 S HN 0.375 nan 8.310 nan 0.000 0.455 264 P HA 0.261 nan 4.420 nan 0.000 0.264 264 P C -2.589 174.662 177.300 -0.081 0.000 1.183 264 P CA -0.560 62.495 63.100 -0.076 0.000 0.763 264 P CB -0.711 30.943 31.700 -0.078 0.000 0.807 265 P HA 0.034 nan 4.420 nan 0.000 0.257 265 P C -0.616 176.482 177.300 -0.337 0.000 1.189 265 P CA 1.044 63.745 63.100 -0.666 0.000 0.780 265 P CB 0.095 30.897 31.700 -1.498 0.000 0.772 266 D N 4.026 124.413 120.400 -0.022 0.000 2.591 266 D HA 0.117 4.755 4.640 -0.005 0.000 0.222 266 D C 0.752 177.157 176.300 0.175 0.000 1.360 266 D CA -0.363 53.686 54.000 0.082 0.000 0.967 266 D CB 0.992 41.810 40.800 0.029 0.000 1.456 266 D HN -0.051 nan 8.370 nan 0.000 0.588 267 M N 2.408 122.134 119.600 0.210 0.000 2.446 267 M HA -0.029 4.449 4.480 -0.005 0.000 0.263 267 M C 1.564 177.893 176.300 0.047 0.000 1.066 267 M CA 1.000 56.368 55.300 0.114 0.000 1.087 267 M CB -0.469 32.170 32.600 0.064 0.000 1.406 267 M HN 0.408 nan 8.290 nan 0.000 0.459 268 K N -0.266 120.164 120.400 0.049 0.000 2.209 268 K HA -0.164 4.153 4.320 -0.005 0.000 0.204 268 K C 1.873 178.498 176.600 0.041 0.000 1.048 268 K CA 0.801 57.108 56.287 0.033 0.000 0.940 268 K CB -0.229 32.291 32.500 0.035 0.000 0.729 268 K HN 0.158 nan 8.250 nan 0.000 0.451 269 L N 1.975 123.230 121.223 0.054 0.000 1.973 269 L HA -0.097 4.241 4.340 -0.005 0.000 0.208 269 L C -1.246 175.663 176.870 0.066 0.000 1.073 269 L CA 1.810 56.690 54.840 0.066 0.000 0.746 269 L CB -1.058 41.046 42.059 0.075 0.000 0.891 269 L HN 0.033 nan 8.230 nan 0.000 0.433 270 P HA -0.160 nan 4.420 nan 0.000 0.218 270 P C 2.180 179.497 177.300 0.029 0.000 1.149 270 P CA 1.709 64.834 63.100 0.042 0.000 0.817 270 P CB -0.053 31.641 31.700 -0.010 0.000 0.785 271 I N 0.961 121.530 120.570 -0.001 0.000 2.127 271 I HA -0.278 3.889 4.170 -0.005 0.000 0.241 271 I C 2.811 178.906 176.117 -0.038 0.000 1.075 271 I CA 2.229 63.507 61.300 -0.036 0.000 1.334 271 I CB -0.891 37.077 38.000 -0.054 0.000 1.040 271 I HN 0.086 nan 8.210 nan 0.000 0.405 272 S N 1.133 116.835 115.700 0.003 0.000 2.370 272 S HA -0.224 4.243 4.470 -0.005 0.000 0.226 272 S C 2.025 176.696 174.600 0.117 0.000 1.033 272 S CA 1.198 59.423 58.200 0.041 0.000 1.011 272 S CB -0.865 62.399 63.200 0.107 0.000 0.852 272 S HN 0.347 nan 8.310 nan 0.000 0.457 273 L N 2.087 123.398 121.223 0.146 0.000 2.093 273 L HA 0.245 4.582 4.340 -0.005 0.000 0.208 273 L C 2.707 179.770 176.870 0.321 0.000 1.085 273 L CA 1.568 56.550 54.840 0.237 0.000 0.755 273 L CB -1.388 40.831 42.059 0.266 0.000 0.904 273 L HN 0.397 nan 8.230 nan 0.000 0.435 274 A N -0.644 122.290 122.820 0.191 0.000 1.898 274 A HA -0.136 4.181 4.320 -0.005 0.000 0.216 274 A C 2.241 179.885 177.584 0.099 0.000 1.181 274 A CA 1.783 53.894 52.037 0.123 0.000 0.620 274 A CB -0.780 18.220 19.000 0.001 0.000 0.819 274 A HN 0.475 nan 8.150 nan 0.000 0.442 275 L N -0.989 120.234 121.223 -0.000 0.000 2.046 275 L HA -0.110 4.227 4.340 -0.005 0.000 0.208 275 L C 2.471 179.447 176.870 0.177 0.000 1.077 275 L CA 1.252 56.033 54.840 -0.099 0.000 0.747 275 L CB -0.525 41.168 42.059 -0.609 0.000 0.896 275 L HN 0.502 nan 8.230 nan 0.000 0.432 276 G N -2.251 106.741 108.800 0.319 0.000 3.126 276 G HA2 -0.102 3.855 3.960 -0.005 0.000 0.224 276 G HA3 -0.102 3.855 3.960 -0.005 0.000 0.224 276 G C 0.338 175.397 174.900 0.265 0.000 1.142 276 G CA -0.547 44.795 45.100 0.403 0.000 0.759 276 G HN 0.207 nan 8.290 nan 0.000 0.550 277 W N 2.652 124.013 121.300 0.102 0.000 2.493 277 W HA 0.010 4.668 4.660 -0.004 0.000 0.337 277 W C -1.454 175.103 176.519 0.064 0.000 1.234 277 W CA -0.657 56.731 57.345 0.071 0.000 1.286 277 W CB 0.926 30.417 29.460 0.052 0.000 1.188 277 W HN 0.141 nan 8.180 nan 0.000 0.564 278 P HA 0.064 nan 4.420 nan 0.000 0.261 278 P C -0.008 176.971 177.300 -0.534 0.000 1.268 278 P CA 0.461 62.943 63.100 -1.030 0.000 0.833 278 P CB 0.210 31.430 31.700 -0.800 0.000 1.231 279 R N 1.283 121.654 120.500 -0.215 0.000 2.267 279 R HA 0.267 4.604 4.340 -0.005 0.000 0.319 279 R C 0.538 176.812 176.300 -0.044 0.000 1.067 279 R CA -0.338 55.693 56.100 -0.114 0.000 0.936 279 R CB 0.738 31.006 30.300 -0.054 0.000 1.006 279 R HN 0.120 nan 8.270 nan 0.000 0.452 280 R N 1.516 121.986 120.500 -0.049 0.000 2.590 280 R HA 0.099 4.436 4.340 -0.005 0.000 0.274 280 R C -0.302 176.023 176.300 0.041 0.000 1.061 280 R CA -0.201 55.906 56.100 0.011 0.000 1.081 280 R CB 0.702 31.003 30.300 0.002 0.000 0.984 280 R HN 0.260 nan 8.270 nan 0.000 0.448 281 V N 2.669 122.634 119.914 0.085 0.000 2.348 281 V HA 0.030 4.147 4.120 -0.005 0.000 0.270 281 V C 0.559 176.695 176.094 0.070 0.000 1.037 281 V CA -0.227 62.131 62.300 0.097 0.000 0.872 281 V CB 1.270 33.206 31.823 0.189 0.000 1.002 281 V HN 0.772 nan 8.190 nan 0.000 0.464 282 S N 4.257 119.982 115.700 0.042 0.000 2.552 282 S HA 0.352 4.820 4.470 -0.005 0.000 0.289 282 S C 1.419 176.044 174.600 0.043 0.000 1.304 282 S CA 0.867 59.088 58.200 0.035 0.000 1.063 282 S CB 0.215 63.426 63.200 0.018 0.000 0.848 282 S HN 1.779 nan 8.310 nan 0.000 0.499 283 G N 3.132 111.957 108.800 0.041 0.000 2.168 283 G HA2 -0.295 3.662 3.960 -0.005 0.000 0.263 283 G HA3 -0.295 3.662 3.960 -0.005 0.000 0.263 283 G C 0.997 175.926 174.900 0.048 0.000 0.977 283 G CA 0.574 45.698 45.100 0.041 0.000 0.659 283 G HN 1.309 nan 8.290 nan 0.000 0.533 284 A N -0.737 122.118 122.820 0.059 0.000 1.908 284 A HA 0.540 4.857 4.320 -0.005 0.000 0.218 284 A C 1.596 179.211 177.584 0.052 0.000 1.181 284 A CA 2.499 54.576 52.037 0.066 0.000 0.627 284 A CB -0.160 18.889 19.000 0.081 0.000 0.818 284 A HN 2.364 nan 8.150 nan 0.000 0.445 285 A N -2.730 120.119 122.820 0.048 0.000 2.609 285 A HA 0.693 5.010 4.320 -0.005 0.000 0.291 285 A C -0.169 177.434 177.584 0.031 0.000 1.096 285 A CA -0.128 51.932 52.037 0.039 0.000 0.684 285 A CB 0.219 19.248 19.000 0.048 0.000 1.282 285 A HN 1.475 nan 8.150 nan 0.000 0.412 286 A N 0.313 123.143 122.820 0.017 0.000 2.440 286 A HA 0.633 4.950 4.320 -0.005 0.000 0.251 286 A C 0.698 178.283 177.584 0.002 0.000 1.089 286 A CA 0.448 52.487 52.037 0.003 0.000 0.779 286 A CB -0.162 18.830 19.000 -0.014 0.000 1.022 286 A HN 2.330 nan 8.150 nan 0.000 0.492 287 A N 1.226 124.042 122.820 -0.006 0.000 2.271 287 A HA 0.483 4.800 4.320 -0.005 0.000 0.288 287 A C 0.471 178.003 177.584 -0.087 0.000 1.094 287 A CA -0.353 51.677 52.037 -0.011 0.000 0.828 287 A CB -0.083 18.925 19.000 0.013 0.000 1.091 287 A HN 1.015 nan 8.150 nan 0.000 0.493 288 C N 1.304 120.535 119.300 -0.116 0.000 2.538 288 C HA 0.154 4.611 4.460 -0.005 0.000 0.408 288 C C 0.614 175.239 174.990 -0.609 0.000 1.421 288 C CA 0.565 59.377 59.018 -0.343 0.000 1.642 288 C CB -1.236 26.300 27.740 -0.341 0.000 2.553 288 C HN 0.831 nan 8.230 nan 0.000 0.604 289 D N 1.056 121.092 120.400 -0.607 0.000 2.329 289 D HA 0.378 5.015 4.640 -0.005 0.000 0.232 289 D C -0.183 175.733 176.300 -0.639 0.000 1.088 289 D CA -0.388 53.295 54.000 -0.527 0.000 0.835 289 D CB 0.279 40.923 40.800 -0.259 0.000 1.078 289 D HN 0.488 nan 8.370 nan 0.000 0.495 290 F N 1.508 121.306 119.950 -0.252 0.000 2.639 290 F HA 0.216 4.740 4.527 -0.005 0.000 0.300 290 F C 1.226 176.961 175.800 -0.108 0.000 1.109 290 F CA -0.280 57.620 58.000 -0.168 0.000 1.335 290 F CB 0.268 39.191 39.000 -0.129 0.000 1.014 290 F HN 0.548 nan 8.300 nan 0.000 0.537 291 H N -1.875 117.252 119.070 0.095 0.000 2.539 291 H HA 0.128 4.681 4.556 -0.005 0.000 0.269 291 H C 0.753 176.102 175.328 0.035 0.000 0.980 291 H CA 0.207 56.291 56.048 0.060 0.000 1.152 291 H CB 0.550 30.335 29.762 0.037 0.000 1.407 291 H HN -0.005 nan 8.280 nan 0.000 0.564 292 T N 0.329 114.945 114.554 0.103 0.000 2.900 292 T HA 0.593 4.940 4.350 -0.005 0.000 0.295 292 T C -0.607 174.118 174.700 0.042 0.000 1.044 292 T CA -0.726 61.410 62.100 0.061 0.000 0.995 292 T CB 1.068 69.957 68.868 0.036 0.000 1.072 292 T HN 0.283 nan 8.240 nan 0.000 0.473 293 A N 2.865 125.704 122.820 0.032 0.000 2.498 293 A HA 0.600 4.917 4.320 -0.005 0.000 0.239 293 A C 0.500 178.090 177.584 0.010 0.000 1.068 293 A CA 0.283 52.331 52.037 0.019 0.000 0.766 293 A CB -0.366 18.641 19.000 0.011 0.000 1.003 293 A HN 1.359 nan 8.150 nan 0.000 0.497 294 S N 0.302 115.999 115.700 -0.004 0.000 2.615 294 S HA 0.807 5.274 4.470 -0.005 0.000 0.269 294 S C -0.650 173.923 174.600 -0.044 0.000 1.161 294 S CA -0.046 58.154 58.200 -0.001 0.000 0.817 294 S CB 1.218 64.442 63.200 0.039 0.000 1.131 294 S HN 2.131 nan 8.310 nan 0.000 0.467 295 S N 0.074 115.781 115.700 0.010 0.000 2.549 295 S HA 0.773 5.240 4.470 -0.005 0.000 0.280 295 S C -1.928 172.803 174.600 0.219 0.000 1.109 295 S CA -0.721 57.481 58.200 0.003 0.000 0.905 295 S CB 0.847 64.058 63.200 0.019 0.000 1.081 295 S HN 0.766 nan 8.310 nan 0.000 0.477 296 W N 1.722 123.036 121.300 0.023 0.000 2.329 296 W HA 0.543 5.200 4.660 -0.004 0.000 0.312 296 W C 0.029 176.436 176.519 -0.187 0.000 1.054 296 W CA -1.037 56.300 57.345 -0.012 0.000 1.245 296 W CB 0.314 29.753 29.460 -0.035 0.000 1.255 296 W HN 0.768 nan 8.180 nan 0.000 0.436 297 E N 1.920 122.111 120.200 -0.016 0.000 2.202 297 E HA 0.649 4.997 4.350 -0.005 0.000 0.272 297 E C -1.252 175.145 176.600 -0.339 0.000 0.951 297 E CA -0.824 55.516 56.400 -0.100 0.000 0.813 297 E CB 1.861 31.564 29.700 0.004 0.000 1.151 297 E HN 0.065 nan 8.360 nan 0.000 0.398 298 F N 1.161 121.220 119.950 0.182 0.000 2.551 298 F HA 0.362 4.886 4.527 -0.005 0.000 0.316 298 F C -0.003 175.856 175.800 0.098 0.000 1.089 298 F CA -0.796 57.285 58.000 0.136 0.000 0.915 298 F CB 1.881 40.932 39.000 0.086 0.000 1.186 298 F HN 0.376 nan 8.300 nan 0.000 0.456 299 E N 1.908 122.263 120.200 0.259 0.000 2.392 299 E HA 0.513 4.860 4.350 -0.005 0.000 0.279 299 E C -3.317 173.372 176.600 0.148 0.000 0.964 299 E CA -2.412 54.091 56.400 0.171 0.000 0.777 299 E CB 2.665 32.440 29.700 0.125 0.000 1.249 299 E HN 0.153 nan 8.360 nan 0.000 0.449 300 P HA 0.081 nan 4.420 nan 0.000 0.274 300 P C -0.441 176.922 177.300 0.104 0.000 1.231 300 P CA -0.629 62.533 63.100 0.103 0.000 0.790 300 P CB 0.664 32.417 31.700 0.088 0.000 0.951 301 L N 2.348 123.630 121.223 0.098 0.000 2.380 301 L HA 0.186 4.523 4.340 -0.005 0.000 0.273 301 L C 0.349 177.307 176.870 0.147 0.000 1.138 301 L CA 0.222 55.126 54.840 0.107 0.000 0.832 301 L CB -0.390 41.724 42.059 0.090 0.000 1.124 301 L HN 0.266 nan 8.230 nan 0.000 0.454 302 D N 2.691 123.218 120.400 0.212 0.000 2.402 302 D HA 0.010 4.648 4.640 -0.005 0.000 0.235 302 D C 1.137 177.586 176.300 0.247 0.000 1.226 302 D CA 0.467 54.600 54.000 0.222 0.000 0.918 302 D CB 0.913 41.867 40.800 0.258 0.000 1.043 302 D HN 0.773 nan 8.370 nan 0.000 0.506 303 T N 0.191 114.845 114.554 0.167 0.000 3.035 303 T HA -0.114 4.233 4.350 -0.005 0.000 0.268 303 T C 1.160 175.925 174.700 0.108 0.000 1.109 303 T CA 0.553 62.743 62.100 0.150 0.000 1.119 303 T CB 0.193 69.125 68.868 0.106 0.000 0.900 303 T HN 0.190 nan 8.240 nan 0.000 0.503 304 D N 1.241 121.690 120.400 0.081 0.000 2.117 304 D HA -0.032 4.605 4.640 -0.005 0.000 0.198 304 D C 2.213 178.506 176.300 -0.012 0.000 0.982 304 D CA 0.960 54.981 54.000 0.036 0.000 0.828 304 D CB -0.060 40.759 40.800 0.032 0.000 0.967 304 D HN 0.359 nan 8.370 nan 0.000 0.464 305 V N -0.177 119.718 119.914 -0.031 0.000 2.649 305 V HA -0.071 4.046 4.120 -0.005 0.000 0.248 305 V C 0.610 176.413 176.094 -0.486 0.000 1.054 305 V CA 0.905 63.051 62.300 -0.257 0.000 1.073 305 V CB -0.179 31.477 31.823 -0.279 0.000 0.699 305 V HN 0.022 nan 8.190 nan 0.000 0.463 306 F N 1.236 121.227 119.950 0.069 0.000 2.550 306 F HA 0.407 4.931 4.527 -0.005 0.000 0.348 306 F C -1.853 173.980 175.800 0.054 0.000 1.219 306 F CA -1.753 56.285 58.000 0.063 0.000 1.203 306 F CB 1.208 40.260 39.000 0.085 0.000 1.436 306 F HN 0.042 nan 8.300 nan 0.000 0.541 307 P HA 0.037 nan 4.420 nan 0.000 0.249 307 P C 1.302 178.681 177.300 0.132 0.000 1.229 307 P CA 0.475 63.646 63.100 0.118 0.000 0.788 307 P CB 0.368 32.112 31.700 0.073 0.000 1.072 308 A N 0.404 123.319 122.820 0.159 0.000 1.978 308 A HA -0.135 4.182 4.320 -0.005 0.000 0.220 308 A C 2.234 179.937 177.584 0.199 0.000 1.170 308 A CA 1.798 53.949 52.037 0.191 0.000 0.636 308 A CB -1.492 17.613 19.000 0.176 0.000 0.810 308 A HN 0.117 nan 8.150 nan 0.000 0.448 309 V N -0.138 119.858 119.914 0.137 0.000 2.379 309 V HA -0.143 3.974 4.120 -0.005 0.000 0.245 309 V C 2.502 178.612 176.094 0.026 0.000 1.044 309 V CA 1.824 64.171 62.300 0.077 0.000 1.036 309 V CB -0.662 31.208 31.823 0.080 0.000 0.664 309 V HN 0.463 nan 8.190 nan 0.000 0.453 310 E N 0.479 120.709 120.200 0.050 0.000 2.077 310 E HA -0.164 4.183 4.350 -0.005 0.000 0.193 310 E C 2.229 178.828 176.600 -0.001 0.000 0.989 310 E CA 1.168 57.582 56.400 0.023 0.000 0.800 310 E CB -0.470 29.258 29.700 0.048 0.000 0.746 310 E HN 0.499 nan 8.360 nan 0.000 0.452 311 L N 0.457 121.712 121.223 0.054 0.000 2.042 311 L HA -0.201 4.136 4.340 -0.005 0.000 0.210 311 L C 2.498 179.302 176.870 -0.111 0.000 1.076 311 L CA 1.249 56.135 54.840 0.077 0.000 0.749 311 L CB -0.565 41.624 42.059 0.217 0.000 0.893 311 L HN 0.075 nan 8.230 nan 0.000 0.432 312 A N 0.076 122.714 122.820 -0.303 0.000 1.902 312 A HA -0.214 4.103 4.320 -0.005 0.000 0.217 312 A C 2.379 179.659 177.584 -0.508 0.000 1.181 312 A CA 1.518 53.102 52.037 -0.756 0.000 0.623 312 A CB -0.470 18.164 19.000 -0.610 0.000 0.818 312 A HN 0.318 nan 8.150 nan 0.000 0.443 313 R N -0.623 119.668 120.500 -0.349 0.000 2.083 313 R HA -0.190 4.147 4.340 -0.005 0.000 0.237 313 R C 2.518 178.530 176.300 -0.479 0.000 1.137 313 R CA 1.904 57.730 56.100 -0.457 0.000 0.951 313 R CB -0.399 29.780 30.300 -0.202 0.000 0.851 313 R HN 0.702 nan 8.270 nan 0.000 0.434 314 Q N -0.114 119.533 119.800 -0.254 0.000 2.084 314 Q HA -0.134 4.203 4.340 -0.005 0.000 0.202 314 Q C 2.214 178.102 176.000 -0.187 0.000 0.978 314 Q CA 1.630 57.337 55.803 -0.160 0.000 0.844 314 Q CB -0.163 28.566 28.738 -0.015 0.000 0.898 314 Q HN 0.379 nan 8.270 nan 0.000 0.426 315 A N 0.891 123.582 122.820 -0.215 0.000 1.902 315 A HA -0.107 4.210 4.320 -0.005 0.000 0.217 315 A C 2.305 179.746 177.584 -0.239 0.000 1.181 315 A CA 1.623 53.556 52.037 -0.174 0.000 0.623 315 A CB -1.233 17.664 19.000 -0.172 0.000 0.818 315 A HN 0.481 nan 8.150 nan 0.000 0.443 316 G N -0.585 107.933 108.800 -0.469 0.000 2.418 316 G HA2 -0.115 3.842 3.960 -0.005 0.000 0.217 316 G HA3 -0.115 3.842 3.960 -0.005 0.000 0.217 316 G C 1.516 176.146 174.900 -0.450 0.000 1.158 316 G CA 1.247 46.008 45.100 -0.566 0.000 0.771 316 G HN 0.312 nan 8.290 nan 0.000 0.545 317 V N 1.582 121.151 119.914 -0.574 0.000 2.295 317 V HA -0.139 3.978 4.120 -0.005 0.000 0.246 317 V C 3.345 179.382 176.094 -0.096 0.000 1.049 317 V CA 2.018 64.173 62.300 -0.242 0.000 1.024 317 V CB -0.881 30.814 31.823 -0.212 0.000 0.648 317 V HN 0.479 nan 8.190 nan 0.000 0.447 318 A N -0.829 121.934 122.820 -0.095 0.000 1.908 318 A HA 0.187 4.504 4.320 -0.005 0.000 0.218 318 A C 1.735 179.319 177.584 0.000 0.000 1.181 318 A CA 1.850 53.868 52.037 -0.031 0.000 0.627 318 A CB -1.049 17.943 19.000 -0.014 0.000 0.818 318 A HN 1.272 nan 8.150 nan 0.000 0.445 319 G N -2.890 105.911 108.800 0.003 0.000 2.645 319 G HA2 0.252 4.209 3.960 -0.005 0.000 0.239 319 G HA3 0.252 4.209 3.960 -0.005 0.000 0.239 319 G C 1.270 176.205 174.900 0.058 0.000 1.331 319 G CA 0.719 45.849 45.100 0.050 0.000 0.890 319 G HN 2.330 nan 8.290 nan 0.000 0.572 320 G N -1.903 106.937 108.800 0.066 0.000 2.596 320 G HA2 -0.211 3.746 3.960 -0.005 0.000 0.304 320 G HA3 -0.211 3.746 3.960 -0.005 0.000 0.304 320 G C 1.423 176.371 174.900 0.080 0.000 1.189 320 G CA 1.909 47.051 45.100 0.070 0.000 0.986 320 G HN 2.171 nan 8.290 nan 0.000 0.548 321 C N 0.277 119.646 119.300 0.116 0.000 2.754 321 C HA 0.439 4.896 4.460 -0.005 0.000 0.276 321 C C 2.499 177.541 174.990 0.086 0.000 1.264 321 C CA 1.072 60.151 59.018 0.101 0.000 1.700 321 C CB -0.834 26.997 27.740 0.153 0.000 1.885 321 C HN 0.568 nan 8.230 nan 0.000 0.607 322 M N 2.057 121.718 119.600 0.102 0.000 2.296 322 M HA -0.091 4.386 4.480 -0.005 0.000 0.265 322 M C 2.363 178.710 176.300 0.078 0.000 1.064 322 M CA 1.833 57.191 55.300 0.096 0.000 1.109 322 M CB -0.567 32.076 32.600 0.072 0.000 1.396 322 M HN 0.514 nan 8.290 nan 0.000 0.430 323 T N -2.809 111.779 114.554 0.056 0.000 2.942 323 T HA 0.135 4.483 4.350 -0.005 0.000 0.265 323 T C 1.914 176.673 174.700 0.097 0.000 1.062 323 T CA 0.860 62.999 62.100 0.066 0.000 1.139 323 T CB -0.819 68.070 68.868 0.034 0.000 0.883 323 T HN 0.312 nan 8.240 nan 0.000 0.468 324 A N 1.377 124.224 122.820 0.045 0.000 1.933 324 A HA 0.059 4.376 4.320 -0.005 0.000 0.218 324 A C 2.585 180.168 177.584 -0.000 0.000 1.175 324 A CA 1.549 53.590 52.037 0.006 0.000 0.628 324 A CB -1.126 17.847 19.000 -0.045 0.000 0.814 324 A HN 0.403 nan 8.150 nan 0.000 0.444 325 V N -1.384 118.538 119.914 0.013 0.000 2.295 325 V HA -0.288 3.829 4.120 -0.005 0.000 0.246 325 V C 2.325 178.462 176.094 0.072 0.000 1.049 325 V CA 2.108 64.433 62.300 0.041 0.000 1.024 325 V CB -1.086 30.804 31.823 0.112 0.000 0.648 325 V HN 0.719 nan 8.190 nan 0.000 0.447 326 Y N 1.901 122.191 120.300 -0.016 0.000 2.097 326 Y HA -0.336 4.212 4.550 -0.004 0.000 0.282 326 Y C 2.556 178.435 175.900 -0.036 0.000 1.152 326 Y CA 2.482 60.564 58.100 -0.030 0.000 1.136 326 Y CB -0.475 37.967 38.460 -0.030 0.000 0.975 326 Y HN 0.378 nan 8.280 nan 0.000 0.498 327 N N 0.128 118.871 118.700 0.072 0.000 2.120 327 N HA -0.171 4.566 4.740 -0.005 0.000 0.188 327 N C 1.833 177.287 175.510 -0.094 0.000 1.024 327 N CA 1.725 54.757 53.050 -0.031 0.000 0.852 327 N CB -0.569 37.948 38.487 0.050 0.000 1.003 327 N HN 0.475 nan 8.380 nan 0.000 0.424 328 A N 0.166 122.944 122.820 -0.069 0.000 1.930 328 A HA 0.123 4.441 4.320 -0.005 0.000 0.217 328 A C 2.326 179.843 177.584 -0.111 0.000 1.175 328 A CA 1.657 53.644 52.037 -0.083 0.000 0.627 328 A CB -1.168 17.785 19.000 -0.079 0.000 0.815 328 A HN 0.448 nan 8.150 nan 0.000 0.443 329 A N 0.590 123.332 122.820 -0.129 0.000 1.883 329 A HA -0.253 4.064 4.320 -0.005 0.000 0.217 329 A C 1.965 179.441 177.584 -0.180 0.000 1.186 329 A CA 2.207 54.151 52.037 -0.156 0.000 0.624 329 A CB -0.849 18.057 19.000 -0.157 0.000 0.822 329 A HN 0.642 nan 8.150 nan 0.000 0.444 330 N N -0.067 118.487 118.700 -0.243 0.000 2.061 330 N HA -0.208 4.529 4.740 -0.005 0.000 0.193 330 N C 1.649 177.078 175.510 -0.135 0.000 1.030 330 N CA 2.149 55.059 53.050 -0.234 0.000 0.856 330 N CB -0.319 37.985 38.487 -0.306 0.000 1.023 330 N HN 0.645 nan 8.380 nan 0.000 0.424 331 E N -0.390 119.745 120.200 -0.108 0.000 2.085 331 E HA -0.196 4.152 4.350 -0.005 0.000 0.194 331 E C 1.714 178.283 176.600 -0.052 0.000 0.994 331 E CA 1.116 57.477 56.400 -0.065 0.000 0.801 331 E CB -0.104 29.563 29.700 -0.056 0.000 0.743 331 E HN 0.479 nan 8.360 nan 0.000 0.453 332 E N 0.575 120.733 120.200 -0.070 0.000 2.047 332 E HA -0.141 4.206 4.350 -0.005 0.000 0.191 332 E C 2.094 178.666 176.600 -0.046 0.000 0.987 332 E CA 1.036 57.399 56.400 -0.061 0.000 0.799 332 E CB -0.365 29.284 29.700 -0.085 0.000 0.752 332 E HN 0.243 nan 8.360 nan 0.000 0.449 333 A N 1.750 124.531 122.820 -0.065 0.000 1.902 333 A HA -0.089 4.228 4.320 -0.005 0.000 0.217 333 A C 2.458 180.050 177.584 0.013 0.000 1.181 333 A CA 2.218 54.226 52.037 -0.048 0.000 0.623 333 A CB -0.691 18.248 19.000 -0.102 0.000 0.818 333 A HN 0.267 nan 8.150 nan 0.000 0.443 334 A N -0.049 122.774 122.820 0.006 0.000 1.883 334 A HA 0.097 4.415 4.320 -0.005 0.000 0.217 334 A C 2.530 180.193 177.584 0.132 0.000 1.186 334 A CA 2.336 54.425 52.037 0.086 0.000 0.624 334 A CB -1.118 17.908 19.000 0.043 0.000 0.822 334 A HN 1.132 nan 8.150 nan 0.000 0.444 335 A N -0.280 122.576 122.820 0.060 0.000 1.908 335 A HA 0.123 4.441 4.320 -0.005 0.000 0.218 335 A C 2.490 180.099 177.584 0.041 0.000 1.181 335 A CA 2.236 54.298 52.037 0.041 0.000 0.627 335 A CB -0.965 18.041 19.000 0.009 0.000 0.818 335 A HN 1.098 nan 8.150 nan 0.000 0.445 336 A N -1.351 121.498 122.820 0.047 0.000 1.930 336 A HA 0.043 4.360 4.320 -0.005 0.000 0.217 336 A C 2.020 179.652 177.584 0.080 0.000 1.175 336 A CA 1.471 53.533 52.037 0.042 0.000 0.627 336 A CB -0.654 18.363 19.000 0.028 0.000 0.815 336 A HN 0.705 nan 8.150 nan 0.000 0.443 337 F N 0.795 120.748 119.950 0.004 0.000 2.102 337 F HA -0.106 4.419 4.527 -0.003 0.000 0.298 337 F C 1.786 177.619 175.800 0.055 0.000 1.105 337 F CA 1.653 59.676 58.000 0.039 0.000 1.239 337 F CB -0.318 38.719 39.000 0.062 0.000 0.991 337 F HN 0.121 nan 8.300 nan 0.000 0.474 338 L N -0.029 121.133 121.223 -0.102 0.000 2.265 338 L HA -0.121 4.216 4.340 -0.005 0.000 0.215 338 L C 2.455 179.219 176.870 -0.176 0.000 1.117 338 L CA 0.966 55.693 54.840 -0.189 0.000 0.782 338 L CB -0.986 41.081 42.059 0.013 0.000 0.914 338 L HN 0.295 nan 8.230 nan 0.000 0.441 339 A N -0.718 122.034 122.820 -0.114 0.000 2.238 339 A HA 0.338 4.656 4.320 -0.005 0.000 0.210 339 A C 1.737 179.263 177.584 -0.096 0.000 1.179 339 A CA 0.694 52.682 52.037 -0.081 0.000 0.827 339 A CB -0.136 18.840 19.000 -0.041 0.000 0.856 339 A HN 0.478 nan 8.150 nan 0.000 0.488 340 G N -0.647 108.063 108.800 -0.150 0.000 2.141 340 G HA2 -0.295 3.663 3.960 -0.005 0.000 0.242 340 G HA3 -0.295 3.663 3.960 -0.005 0.000 0.242 340 G C 1.013 175.882 174.900 -0.051 0.000 0.982 340 G CA 0.802 45.827 45.100 -0.124 0.000 0.662 340 G HN 0.580 nan 8.290 nan 0.000 0.527 341 R N 0.786 121.269 120.500 -0.028 0.000 2.127 341 R HA 0.374 4.711 4.340 -0.005 0.000 0.217 341 R C 1.440 177.758 176.300 0.029 0.000 1.074 341 R CA 1.741 57.841 56.100 0.000 0.000 0.991 341 R CB -0.199 30.101 30.300 -0.001 0.000 0.895 341 R HN 1.020 nan 8.270 nan 0.000 0.450 342 I N -3.388 117.224 120.570 0.070 0.000 3.042 342 I HA 0.697 4.865 4.170 -0.005 0.000 0.310 342 I C 0.192 176.443 176.117 0.223 0.000 1.117 342 I CA -1.536 59.830 61.300 0.110 0.000 1.003 342 I CB 1.969 40.021 38.000 0.088 0.000 1.228 342 I HN -0.002 nan 8.210 nan 0.000 0.443 343 G N 0.866 109.780 108.800 0.190 0.000 2.572 343 G HA2 0.233 4.190 3.960 -0.005 0.000 0.261 343 G HA3 0.233 4.190 3.960 -0.005 0.000 0.261 343 G C -0.057 174.998 174.900 0.258 0.000 1.197 343 G CA -0.421 44.837 45.100 0.262 0.000 0.870 343 G HN 0.765 nan 8.290 nan 0.000 0.548 344 F N 1.928 121.896 119.950 0.030 0.000 2.095 344 F HA -0.031 4.493 4.527 -0.006 0.000 0.298 344 F C 0.030 175.650 175.800 -0.300 0.000 1.104 344 F CA 1.594 59.316 58.000 -0.464 0.000 1.232 344 F CB -0.523 38.165 39.000 -0.520 0.000 0.987 344 F HN 0.311 nan 8.300 nan 0.000 0.475 345 P HA -0.088 nan 4.420 nan 0.000 0.222 345 P C 1.266 178.429 177.300 -0.229 0.000 1.147 345 P CA 1.702 64.658 63.100 -0.241 0.000 0.790 345 P CB -0.373 31.256 31.700 -0.119 0.000 0.780 346 A N -0.881 121.840 122.820 -0.166 0.000 2.121 346 A HA -0.110 4.207 4.320 -0.005 0.000 0.218 346 A C 2.042 179.527 177.584 -0.165 0.000 1.154 346 A CA 0.813 52.778 52.037 -0.120 0.000 0.679 346 A CB -1.392 17.580 19.000 -0.047 0.000 0.795 346 A HN 0.133 nan 8.150 nan 0.000 0.458 347 I N -0.706 119.699 120.570 -0.276 0.000 2.113 347 I HA -0.222 3.945 4.170 -0.005 0.000 0.238 347 I C 2.245 178.215 176.117 -0.244 0.000 1.070 347 I CA 1.425 62.556 61.300 -0.283 0.000 1.332 347 I CB -0.372 37.365 38.000 -0.437 0.000 1.044 347 I HN 0.148 nan 8.210 nan 0.000 0.402 348 V N 0.910 120.666 119.914 -0.262 0.000 2.667 348 V HA -0.103 4.014 4.120 -0.005 0.000 0.252 348 V C 2.496 178.515 176.094 -0.124 0.000 1.065 348 V CA 1.726 63.919 62.300 -0.178 0.000 1.083 348 V CB -1.119 30.623 31.823 -0.135 0.000 0.692 348 V HN 0.583 nan 8.190 nan 0.000 0.468 349 G N 0.347 109.073 108.800 -0.124 0.000 2.446 349 G HA2 -0.246 3.711 3.960 -0.005 0.000 0.217 349 G HA3 -0.246 3.711 3.960 -0.005 0.000 0.217 349 G C 1.575 176.430 174.900 -0.074 0.000 1.168 349 G CA 1.107 46.160 45.100 -0.078 0.000 0.771 349 G HN 0.487 nan 8.290 nan 0.000 0.551 350 I N 0.540 121.052 120.570 -0.098 0.000 2.226 350 I HA -0.121 4.046 4.170 -0.005 0.000 0.245 350 I C 2.657 178.702 176.117 -0.121 0.000 1.100 350 I CA 0.644 61.884 61.300 -0.099 0.000 1.374 350 I CB -0.166 37.773 38.000 -0.103 0.000 1.057 350 I HN 0.163 nan 8.210 nan 0.000 0.413 351 I N 0.733 121.212 120.570 -0.152 0.000 2.163 351 I HA -0.344 3.823 4.170 -0.005 0.000 0.243 351 I C 2.816 178.834 176.117 -0.164 0.000 1.085 351 I CA 1.538 62.730 61.300 -0.180 0.000 1.347 351 I CB -0.577 37.267 38.000 -0.259 0.000 1.044 351 I HN 0.205 nan 8.210 nan 0.000 0.408 352 A N 0.578 123.308 122.820 -0.150 0.000 1.883 352 A HA -0.269 4.048 4.320 -0.005 0.000 0.217 352 A C 1.969 179.375 177.584 -0.295 0.000 1.186 352 A CA 2.307 54.195 52.037 -0.247 0.000 0.624 352 A CB -0.717 18.290 19.000 0.012 0.000 0.822 352 A HN 0.365 nan 8.150 nan 0.000 0.444 353 D N -0.443 119.914 120.400 -0.072 0.000 2.123 353 D HA -0.102 4.535 4.640 -0.005 0.000 0.196 353 D C 2.049 178.348 176.300 -0.001 0.000 0.992 353 D CA 1.453 55.456 54.000 0.006 0.000 0.833 353 D CB -0.393 40.407 40.800 -0.001 0.000 0.954 353 D HN 0.231 nan 8.370 nan 0.000 0.455 354 V N 0.767 120.652 119.914 -0.048 0.000 2.323 354 V HA -0.154 3.964 4.120 -0.005 0.000 0.244 354 V C 2.639 178.822 176.094 0.148 0.000 1.041 354 V CA 0.899 63.210 62.300 0.017 0.000 1.025 354 V CB -0.378 31.406 31.823 -0.065 0.000 0.656 354 V HN 0.206 nan 8.190 nan 0.000 0.451 355 L N -0.406 120.803 121.223 -0.023 0.000 2.079 355 L HA -0.228 4.109 4.340 -0.005 0.000 0.210 355 L C 2.421 179.321 176.870 0.050 0.000 1.081 355 L CA 1.910 56.740 54.840 -0.016 0.000 0.752 355 L CB -0.606 41.342 42.059 -0.185 0.000 0.896 355 L HN 0.503 nan 8.230 nan 0.000 0.433 356 H N -1.550 117.602 119.070 0.137 0.000 2.547 356 H HA 0.086 4.639 4.556 -0.005 0.000 0.272 356 H C 1.800 177.205 175.328 0.129 0.000 0.989 356 H CA 0.394 56.505 56.048 0.104 0.000 1.214 356 H CB 0.214 30.017 29.762 0.069 0.000 1.389 356 H HN 0.336 nan 8.280 nan 0.000 0.577 357 A N 0.692 123.686 122.820 0.290 0.000 2.308 357 A HA 0.442 4.759 4.320 -0.005 0.000 0.217 357 A C 1.730 179.513 177.584 0.333 0.000 1.216 357 A CA 0.383 52.617 52.037 0.328 0.000 0.864 357 A CB 0.017 19.254 19.000 0.395 0.000 0.902 357 A HN 0.353 nan 8.150 nan 0.000 0.499 358 A N 0.010 122.980 122.820 0.249 0.000 2.532 358 A HA 0.331 4.648 4.320 -0.005 0.000 0.273 358 A C 0.782 178.317 177.584 -0.081 0.000 1.342 358 A CA 0.286 52.349 52.037 0.044 0.000 0.929 358 A CB -0.461 18.695 19.000 0.261 0.000 1.051 358 A HN 0.312 nan 8.150 nan 0.000 0.521 359 D N 1.191 121.529 120.400 -0.103 0.000 2.192 359 D HA -0.324 4.313 4.640 -0.005 0.000 0.189 359 D C 2.226 178.372 176.300 -0.257 0.000 1.007 359 D CA 2.213 56.133 54.000 -0.133 0.000 0.859 359 D CB -0.348 40.382 40.800 -0.117 0.000 0.936 359 D HN 0.835 nan 8.370 nan 0.000 0.447 360 Q N -0.582 118.915 119.800 -0.504 0.000 2.368 360 Q HA -0.162 4.175 4.340 -0.005 0.000 0.210 360 Q C 1.153 176.706 176.000 -0.745 0.000 0.982 360 Q CA 1.008 56.375 55.803 -0.726 0.000 0.884 360 Q CB -0.670 27.429 28.738 -1.064 0.000 0.933 360 Q HN 0.509 nan 8.270 nan 0.000 0.460 361 W N 0.018 121.177 121.300 -0.235 0.000 3.330 361 W HA 0.487 5.144 4.660 -0.005 0.000 0.348 361 W C 1.712 178.175 176.519 -0.093 0.000 1.205 361 W CA -0.150 57.092 57.345 -0.172 0.000 1.841 361 W CB 0.457 29.797 29.460 -0.198 0.000 1.084 361 W HN 0.202 nan 8.180 nan 0.000 0.665 362 A N 0.489 123.333 122.820 0.041 0.000 2.167 362 A HA 0.051 4.368 4.320 -0.005 0.000 0.214 362 A C 1.100 178.700 177.584 0.025 0.000 1.151 362 A CA 0.555 52.611 52.037 0.031 0.000 0.735 362 A CB -0.974 18.023 19.000 -0.006 0.000 0.802 362 A HN 0.060 nan 8.150 nan 0.000 0.467 363 V N -1.291 118.630 119.914 0.012 0.000 2.740 363 V HA 0.214 4.332 4.120 -0.005 0.000 0.303 363 V C -0.111 176.017 176.094 0.055 0.000 1.054 363 V CA -1.020 61.287 62.300 0.012 0.000 1.106 363 V CB 0.348 32.157 31.823 -0.024 0.000 0.957 363 V HN 0.327 nan 8.190 nan 0.000 0.486 364 E N 5.352 125.575 120.200 0.039 0.000 2.360 364 E HA 0.268 4.615 4.350 -0.005 0.000 0.269 364 E C -2.332 174.298 176.600 0.050 0.000 1.022 364 E CA -1.793 54.633 56.400 0.044 0.000 0.887 364 E CB 0.777 30.495 29.700 0.030 0.000 0.990 364 E HN 0.681 nan 8.360 nan 0.000 0.426 365 P HA 0.052 nan 4.420 nan 0.000 0.271 365 P C -0.256 177.063 177.300 0.031 0.000 1.220 365 P CA 0.088 63.219 63.100 0.051 0.000 0.768 365 P CB 1.137 32.861 31.700 0.041 0.000 0.848 366 A N 3.710 126.548 122.820 0.031 0.000 1.984 366 A HA 0.156 4.473 4.320 -0.005 0.000 0.214 366 A C 1.059 178.652 177.584 0.014 0.000 1.173 366 A CA 1.387 53.435 52.037 0.019 0.000 0.673 366 A CB -0.491 18.519 19.000 0.017 0.000 0.830 366 A HN 0.640 nan 8.150 nan 0.000 0.453 367 T N -5.240 109.326 114.554 0.019 0.000 2.865 367 T HA 0.447 4.794 4.350 -0.005 0.000 0.294 367 T C 0.858 175.565 174.700 0.011 0.000 1.119 367 T CA 0.077 62.184 62.100 0.012 0.000 1.007 367 T CB 1.184 70.060 68.868 0.014 0.000 1.225 367 T HN 0.134 nan 8.240 nan 0.000 0.515 368 V N 0.882 120.798 119.914 0.002 0.000 2.380 368 V HA -0.178 3.940 4.120 -0.005 0.000 0.251 368 V C 2.342 178.437 176.094 0.001 0.000 1.063 368 V CA 2.115 64.413 62.300 -0.004 0.000 1.055 368 V CB -0.886 30.932 31.823 -0.010 0.000 0.657 368 V HN 0.883 nan 8.190 nan 0.000 0.455 369 D N 0.155 120.562 120.400 0.011 0.000 2.178 369 D HA -0.163 4.475 4.640 -0.005 0.000 0.201 369 D C 1.858 178.180 176.300 0.036 0.000 0.980 369 D CA 1.452 55.464 54.000 0.020 0.000 0.842 369 D CB -0.208 40.608 40.800 0.026 0.000 0.948 369 D HN 0.478 nan 8.370 nan 0.000 0.472 370 D N 0.407 120.837 120.400 0.050 0.000 2.117 370 D HA -0.105 4.532 4.640 -0.005 0.000 0.197 370 D C 2.358 178.682 176.300 0.039 0.000 0.987 370 D CA 0.464 54.520 54.000 0.092 0.000 0.829 370 D CB -0.233 40.627 40.800 0.099 0.000 0.961 370 D HN 0.103 nan 8.370 nan 0.000 0.460 371 V N 1.311 121.224 119.914 -0.001 0.000 2.358 371 V HA -0.198 3.919 4.120 -0.005 0.000 0.246 371 V C 2.690 178.727 176.094 -0.094 0.000 1.047 371 V CA 1.036 63.306 62.300 -0.050 0.000 1.035 371 V CB -0.522 31.282 31.823 -0.031 0.000 0.658 371 V HN 0.194 nan 8.190 nan 0.000 0.452 372 L N -0.102 121.086 121.223 -0.058 0.000 2.042 372 L HA -0.210 4.127 4.340 -0.005 0.000 0.210 372 L C 2.394 179.214 176.870 -0.084 0.000 1.076 372 L CA 1.646 56.451 54.840 -0.058 0.000 0.749 372 L CB -0.845 41.199 42.059 -0.025 0.000 0.893 372 L HN 0.352 nan 8.230 nan 0.000 0.432 373 D N 0.245 120.602 120.400 -0.072 0.000 2.117 373 D HA -0.132 4.505 4.640 -0.005 0.000 0.198 373 D C 2.255 178.311 176.300 -0.406 0.000 0.982 373 D CA 1.514 55.477 54.000 -0.061 0.000 0.828 373 D CB -0.036 40.853 40.800 0.148 0.000 0.967 373 D HN 0.304 nan 8.370 nan 0.000 0.464 374 A N 0.849 123.192 122.820 -0.795 0.000 1.902 374 A HA -0.226 4.091 4.320 -0.005 0.000 0.217 374 A C 2.137 179.343 177.584 -0.630 0.000 1.181 374 A CA 1.448 52.622 52.037 -1.438 0.000 0.623 374 A CB -0.629 17.755 19.000 -1.026 0.000 0.818 374 A HN 0.212 nan 8.150 nan 0.000 0.443 375 Q N -1.039 118.565 119.800 -0.327 0.000 2.084 375 Q HA -0.179 4.158 4.340 -0.005 0.000 0.202 375 Q C 2.390 178.318 176.000 -0.119 0.000 0.978 375 Q CA 1.565 57.265 55.803 -0.171 0.000 0.844 375 Q CB -0.206 28.462 28.738 -0.118 0.000 0.898 375 Q HN 0.677 nan 8.270 nan 0.000 0.426 376 R N -0.029 120.412 120.500 -0.097 0.000 2.073 376 R HA -0.205 4.132 4.340 -0.005 0.000 0.234 376 R C 1.966 178.261 176.300 -0.009 0.000 1.134 376 R CA 1.718 57.793 56.100 -0.041 0.000 0.952 376 R CB -0.360 29.939 30.300 -0.001 0.000 0.850 376 R HN 0.391 nan 8.270 nan 0.000 0.433 377 W N 0.834 122.043 121.300 -0.153 0.000 2.335 377 W HA -0.200 4.458 4.660 -0.003 0.000 0.311 377 W C 2.020 178.493 176.519 -0.076 0.000 1.213 377 W CA 2.220 59.533 57.345 -0.053 0.000 1.274 377 W CB -0.389 29.110 29.460 0.066 0.000 1.148 377 W HN 0.216 nan 8.180 nan 0.000 0.498 378 A N 0.753 123.556 122.820 -0.028 0.000 1.933 378 A HA -0.173 4.144 4.320 -0.005 0.000 0.218 378 A C 2.029 179.443 177.584 -0.283 0.000 1.175 378 A CA 1.798 53.725 52.037 -0.183 0.000 0.628 378 A CB -0.744 18.250 19.000 -0.010 0.000 0.814 378 A HN 0.424 nan 8.150 nan 0.000 0.444 379 R N -0.457 119.925 120.500 -0.197 0.000 2.073 379 R HA -0.132 4.205 4.340 -0.005 0.000 0.234 379 R C 2.143 178.323 176.300 -0.200 0.000 1.134 379 R CA 1.607 57.608 56.100 -0.166 0.000 0.952 379 R CB -0.380 29.853 30.300 -0.111 0.000 0.850 379 R HN 0.656 nan 8.270 nan 0.000 0.433 380 E N 0.188 120.248 120.200 -0.232 0.000 2.058 380 E HA -0.226 4.121 4.350 -0.005 0.000 0.194 380 E C 2.072 178.476 176.600 -0.326 0.000 0.997 380 E CA 1.210 57.466 56.400 -0.240 0.000 0.801 380 E CB -0.027 29.544 29.700 -0.215 0.000 0.746 380 E HN 0.033 nan 8.360 nan 0.000 0.450 381 R N 0.721 120.887 120.500 -0.556 0.000 2.092 381 R HA -0.049 4.288 4.340 -0.005 0.000 0.231 381 R C 1.934 178.034 176.300 -0.333 0.000 1.119 381 R CA 1.522 57.277 56.100 -0.575 0.000 0.970 381 R CB -0.593 29.049 30.300 -1.096 0.000 0.864 381 R HN 0.175 nan 8.270 nan 0.000 0.440 382 A N 0.192 122.839 122.820 -0.288 0.000 1.933 382 A HA -0.157 4.160 4.320 -0.005 0.000 0.218 382 A C 1.904 179.405 177.584 -0.139 0.000 1.175 382 A CA 1.322 53.248 52.037 -0.185 0.000 0.628 382 A CB -0.411 18.492 19.000 -0.162 0.000 0.814 382 A HN 0.337 nan 8.150 nan 0.000 0.444 383 Q N -0.101 119.615 119.800 -0.140 0.000 2.119 383 Q HA -0.111 4.226 4.340 -0.005 0.000 0.201 383 Q C 2.181 178.127 176.000 -0.090 0.000 0.972 383 Q CA 1.327 57.069 55.803 -0.100 0.000 0.847 383 Q CB -0.461 28.222 28.738 -0.092 0.000 0.903 383 Q HN 0.693 nan 8.270 nan 0.000 0.433 384 R N 0.398 120.831 120.500 -0.112 0.000 2.091 384 R HA -0.076 4.261 4.340 -0.005 0.000 0.238 384 R C 2.246 178.504 176.300 -0.070 0.000 1.136 384 R CA 1.277 57.325 56.100 -0.087 0.000 0.959 384 R CB -0.456 29.784 30.300 -0.100 0.000 0.856 384 R HN 0.236 nan 8.270 nan 0.000 0.437 385 A N 0.815 123.585 122.820 -0.084 0.000 1.902 385 A HA -0.115 4.202 4.320 -0.005 0.000 0.217 385 A C 2.412 179.966 177.584 -0.049 0.000 1.181 385 A CA 1.416 53.415 52.037 -0.063 0.000 0.623 385 A CB -0.561 18.395 19.000 -0.074 0.000 0.818 385 A HN 0.112 nan 8.150 nan 0.000 0.443 386 V N -0.085 119.797 119.914 -0.053 0.000 2.287 386 V HA -0.247 3.870 4.120 -0.005 0.000 0.248 386 V C 2.743 178.820 176.094 -0.028 0.000 1.053 386 V CA 2.367 64.645 62.300 -0.036 0.000 1.027 386 V CB -0.950 30.852 31.823 -0.036 0.000 0.646 386 V HN 0.556 nan 8.190 nan 0.000 0.447 387 S N 0.575 116.255 115.700 -0.033 0.000 2.420 387 S HA -0.160 4.308 4.470 -0.005 0.000 0.237 387 S C 1.849 176.438 174.600 -0.020 0.000 1.023 387 S CA 1.312 59.497 58.200 -0.026 0.000 0.991 387 S CB -0.542 62.640 63.200 -0.030 0.000 0.792 387 S HN 0.737 nan 8.310 nan 0.000 0.488 388 G N 0.973 109.760 108.800 -0.021 0.000 2.920 388 G HA2 0.274 4.231 3.960 -0.005 0.000 0.208 388 G HA3 0.274 4.231 3.960 -0.005 0.000 0.208 388 G C 0.323 175.216 174.900 -0.011 0.000 1.159 388 G CA 0.062 45.153 45.100 -0.015 0.000 0.784 388 G HN 0.564 nan 8.290 nan 0.000 0.535 389 M N 0.000 119.594 119.600 -0.010 0.000 2.572 389 M HA 0.000 4.477 4.480 -0.005 0.000 0.227 389 M CA 0.000 55.297 55.300 -0.005 0.000 0.988 389 M CB 0.000 32.596 32.600 -0.006 0.000 1.302 389 M HN 0.000 nan 8.290 nan 0.000 0.411