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 2c82_1_B 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 3.958 3.960 -0.004 0.000 0.244 11 G C 0.000 174.857 174.900 -0.072 0.000 0.946 11 G CA 0.000 45.068 45.100 -0.053 0.000 0.502 12 R N 0.125 120.586 120.500 -0.065 0.000 2.489 12 R HA 0.425 4.763 4.340 -0.004 0.000 0.287 12 R C -0.505 175.786 176.300 -0.014 0.000 1.053 12 R CA -0.103 55.954 56.100 -0.071 0.000 1.036 12 R CB -0.014 30.260 30.300 -0.043 0.000 0.966 12 R HN 0.354 nan 8.270 nan 0.000 0.432 13 L N 5.364 126.599 121.223 0.019 0.000 2.309 13 L HA 0.452 4.790 4.340 -0.004 0.000 0.282 13 L C 0.264 177.219 176.870 0.141 0.000 1.036 13 L CA -0.781 54.123 54.840 0.107 0.000 0.806 13 L CB 1.682 43.863 42.059 0.204 0.000 1.220 13 L HN 0.570 nan 8.230 nan 0.000 0.429 14 R N 2.324 122.881 120.500 0.096 0.000 2.234 14 R HA 0.465 4.803 4.340 -0.004 0.000 0.324 14 R C -1.040 175.306 176.300 0.076 0.000 1.054 14 R CA -0.444 55.704 56.100 0.079 0.000 0.912 14 R CB 1.254 31.584 30.300 0.050 0.000 1.030 14 R HN 0.298 nan 8.270 nan 0.000 0.455 15 V N 4.351 124.306 119.914 0.068 0.000 2.409 15 V HA 0.234 4.352 4.120 -0.004 0.000 0.291 15 V C -0.064 176.035 176.094 0.008 0.000 1.020 15 V CA -0.920 61.398 62.300 0.031 0.000 0.848 15 V CB 1.937 33.762 31.823 0.004 0.000 0.990 15 V HN 0.456 nan 8.190 nan 0.000 0.430 16 V N 5.769 125.679 119.914 -0.007 0.000 2.432 16 V HA 0.290 4.408 4.120 -0.004 0.000 0.271 16 V C 0.084 176.159 176.094 -0.032 0.000 1.046 16 V CA -0.352 61.937 62.300 -0.018 0.000 0.945 16 V CB 1.635 33.441 31.823 -0.029 0.000 0.992 16 V HN 0.627 nan 8.190 nan 0.000 0.471 17 V N 7.385 127.282 119.914 -0.029 0.000 2.311 17 V HA 0.371 4.489 4.120 -0.004 0.000 0.275 17 V C -0.014 176.059 176.094 -0.034 0.000 1.022 17 V CA -0.351 61.926 62.300 -0.039 0.000 0.830 17 V CB 1.049 32.849 31.823 -0.038 0.000 1.012 17 V HN 0.614 nan 8.190 nan 0.000 0.452 18 L N 4.375 125.573 121.223 -0.041 0.000 2.275 18 L HA 0.701 5.039 4.340 -0.004 0.000 0.288 18 L C 1.069 177.918 176.870 -0.034 0.000 1.046 18 L CA -0.218 54.600 54.840 -0.036 0.000 0.805 18 L CB 1.182 43.215 42.059 -0.044 0.000 1.193 18 L HN 0.857 nan 8.230 nan 0.000 0.426 19 G N 1.699 110.485 108.800 -0.023 0.000 2.303 19 G HA2 -0.258 3.699 3.960 -0.004 0.000 0.260 19 G HA3 -0.258 3.699 3.960 -0.004 0.000 0.260 19 G C 0.718 175.601 174.900 -0.029 0.000 1.106 19 G CA 0.294 45.381 45.100 -0.022 0.000 0.900 19 G HN 0.796 nan 8.290 nan 0.000 0.495 20 S N -1.267 114.422 115.700 -0.020 0.000 2.453 20 S HA -0.041 4.426 4.470 -0.004 0.000 0.231 20 S C 2.244 176.824 174.600 -0.033 0.000 1.005 20 S CA 1.919 60.105 58.200 -0.024 0.000 0.949 20 S CB -0.207 62.986 63.200 -0.011 0.000 0.774 20 S HN 1.487 nan 8.310 nan 0.000 0.510 21 T N -1.454 113.078 114.554 -0.036 0.000 3.065 21 T HA 0.366 4.714 4.350 -0.004 0.000 0.252 21 T C 1.100 175.712 174.700 -0.147 0.000 1.099 21 T CA 0.207 62.264 62.100 -0.073 0.000 1.063 21 T CB -0.433 68.414 68.868 -0.035 0.000 0.948 21 T HN 0.424 nan 8.240 nan 0.000 0.506 22 G N 1.345 110.081 108.800 -0.107 0.000 2.651 22 G HA2 0.355 4.313 3.960 -0.004 0.000 0.260 22 G HA3 0.355 4.313 3.960 -0.004 0.000 0.260 22 G C 1.163 176.008 174.900 -0.091 0.000 1.216 22 G CA 0.026 45.060 45.100 -0.110 0.000 0.913 22 G HN 0.343 nan 8.290 nan 0.000 0.535 23 S N -0.574 115.083 115.700 -0.072 0.000 2.399 23 S HA -0.120 4.348 4.470 -0.004 0.000 0.231 23 S C 2.109 176.679 174.600 -0.050 0.000 1.022 23 S CA 0.856 59.026 58.200 -0.050 0.000 0.983 23 S CB -0.163 63.023 63.200 -0.023 0.000 0.803 23 S HN 0.351 nan 8.310 nan 0.000 0.480 24 I N 2.664 123.197 120.570 -0.061 0.000 2.286 24 I HA 0.006 4.173 4.170 -0.004 0.000 0.245 24 I C 2.854 178.930 176.117 -0.068 0.000 1.104 24 I CA 1.287 62.544 61.300 -0.072 0.000 1.397 24 I CB -2.139 35.809 38.000 -0.087 0.000 1.072 24 I HN 0.475 nan 8.210 nan 0.000 0.417 25 G N 1.067 109.829 108.800 -0.063 0.000 2.446 25 G HA2 -0.294 3.664 3.960 -0.004 0.000 0.217 25 G HA3 -0.294 3.664 3.960 -0.004 0.000 0.217 25 G C 1.715 176.585 174.900 -0.050 0.000 1.168 25 G CA 1.780 46.846 45.100 -0.057 0.000 0.771 25 G HN 0.472 nan 8.290 nan 0.000 0.551 26 T N -1.512 113.013 114.554 -0.049 0.000 2.821 26 T HA -0.054 4.293 4.350 -0.004 0.000 0.267 26 T C 2.249 176.930 174.700 -0.031 0.000 1.046 26 T CA 1.544 63.621 62.100 -0.038 0.000 1.139 26 T CB -0.283 68.562 68.868 -0.040 0.000 0.871 26 T HN 0.389 nan 8.240 nan 0.000 0.454 27 Q N 0.879 120.658 119.800 -0.035 0.000 2.079 27 Q HA 0.111 4.449 4.340 -0.004 0.000 0.200 27 Q C 2.818 178.792 176.000 -0.042 0.000 0.974 27 Q CA 1.351 57.137 55.803 -0.029 0.000 0.840 27 Q CB -0.434 28.288 28.738 -0.027 0.000 0.898 27 Q HN 0.729 nan 8.270 nan 0.000 0.430 28 A N 1.014 123.796 122.820 -0.064 0.000 1.877 28 A HA -0.167 4.150 4.320 -0.004 0.000 0.216 28 A C 2.047 179.584 177.584 -0.080 0.000 1.186 28 A CA 1.097 53.077 52.037 -0.096 0.000 0.620 28 A CB -0.752 18.181 19.000 -0.112 0.000 0.822 28 A HN 0.299 nan 8.150 nan 0.000 0.443 29 L N -0.857 120.336 121.223 -0.050 0.000 2.127 29 L HA -0.274 4.064 4.340 -0.004 0.000 0.211 29 L C 2.838 179.704 176.870 -0.006 0.000 1.089 29 L CA 1.651 56.476 54.840 -0.025 0.000 0.757 29 L CB -0.756 41.295 42.059 -0.014 0.000 0.899 29 L HN 0.542 nan 8.230 nan 0.000 0.434 30 Q N -0.610 119.186 119.800 -0.007 0.000 2.079 30 Q HA -0.142 4.196 4.340 -0.004 0.000 0.200 30 Q C 2.403 178.417 176.000 0.023 0.000 0.974 30 Q CA 1.200 57.009 55.803 0.009 0.000 0.840 30 Q CB -0.074 28.669 28.738 0.008 0.000 0.898 30 Q HN 0.341 nan 8.270 nan 0.000 0.430 31 V N 1.106 121.025 119.914 0.008 0.000 2.343 31 V HA -0.265 3.852 4.120 -0.004 0.000 0.247 31 V C 2.123 178.272 176.094 0.091 0.000 1.051 31 V CA 1.583 63.903 62.300 0.033 0.000 1.036 31 V CB -0.436 31.371 31.823 -0.027 0.000 0.654 31 V HN 0.344 nan 8.190 nan 0.000 0.451 32 I N 0.486 121.080 120.570 0.040 0.000 2.226 32 I HA -0.247 3.921 4.170 -0.004 0.000 0.245 32 I C 2.647 178.847 176.117 0.138 0.000 1.100 32 I CA 1.571 62.950 61.300 0.131 0.000 1.374 32 I CB -0.591 37.438 38.000 0.047 0.000 1.057 32 I HN 0.288 nan 8.210 nan 0.000 0.413 33 A N 0.310 123.177 122.820 0.078 0.000 1.972 33 A HA -0.217 4.100 4.320 -0.004 0.000 0.219 33 A C 1.804 179.428 177.584 0.067 0.000 1.169 33 A CA 1.965 54.040 52.037 0.063 0.000 0.635 33 A CB -0.507 18.518 19.000 0.041 0.000 0.810 33 A HN 0.350 nan 8.150 nan 0.000 0.446 34 D N 0.067 120.512 120.400 0.075 0.000 2.347 34 D HA -0.004 4.633 4.640 -0.004 0.000 0.215 34 D C 0.032 176.379 176.300 0.078 0.000 0.976 34 D CA 0.580 54.620 54.000 0.068 0.000 0.884 34 D CB -0.065 40.775 40.800 0.065 0.000 0.915 34 D HN 0.388 nan 8.370 nan 0.000 0.526 35 N N 0.685 119.454 118.700 0.116 0.000 2.723 35 N HA 0.095 4.832 4.740 -0.004 0.000 0.290 35 N C -2.116 173.429 175.510 0.058 0.000 1.882 35 N CA -0.802 52.303 53.050 0.091 0.000 0.851 35 N CB 2.010 40.590 38.487 0.156 0.000 1.234 35 N HN 0.067 nan 8.380 nan 0.000 0.491 36 P HA -0.105 nan 4.420 nan 0.000 0.226 36 P C 0.819 178.108 177.300 -0.018 0.000 1.153 36 P CA 1.065 64.183 63.100 0.030 0.000 0.777 36 P CB 0.301 32.018 31.700 0.028 0.000 0.794 37 D N -0.590 119.778 120.400 -0.054 0.000 2.269 37 D HA -0.118 4.520 4.640 -0.004 0.000 0.208 37 D C 1.713 177.908 176.300 -0.176 0.000 0.963 37 D CA 0.654 54.601 54.000 -0.088 0.000 0.864 37 D CB -0.200 40.555 40.800 -0.075 0.000 0.936 37 D HN 0.097 nan 8.370 nan 0.000 0.505 38 R N -0.589 119.725 120.500 -0.311 0.000 2.146 38 R HA 0.255 4.593 4.340 -0.004 0.000 0.206 38 R C 0.207 176.024 176.300 -0.805 0.000 1.049 38 R CA 0.317 55.994 56.100 -0.706 0.000 1.029 38 R CB 0.317 29.917 30.300 -1.166 0.000 0.949 38 R HN 0.221 nan 8.270 nan 0.000 0.471 39 F N 0.605 120.563 119.950 0.014 0.000 2.601 39 F HA 0.299 4.824 4.527 -0.004 0.000 0.309 39 F C -0.448 175.359 175.800 0.012 0.000 1.089 39 F CA -1.248 56.760 58.000 0.014 0.000 0.940 39 F CB 2.106 41.115 39.000 0.015 0.000 1.273 39 F HN -0.130 nan 8.300 nan 0.000 0.450 40 E N 0.394 120.718 120.200 0.207 0.000 2.292 40 E HA 0.633 4.980 4.350 -0.004 0.000 0.272 40 E C -1.867 174.792 176.600 0.098 0.000 0.881 40 E CA -1.094 55.379 56.400 0.121 0.000 0.754 40 E CB 2.287 32.032 29.700 0.075 0.000 1.201 40 E HN 0.312 nan 8.360 nan 0.000 0.425 41 V N 3.198 123.154 119.914 0.069 0.000 2.508 41 V HA 0.058 4.176 4.120 -0.004 0.000 0.281 41 V C 1.022 177.140 176.094 0.040 0.000 1.041 41 V CA 0.086 62.412 62.300 0.043 0.000 1.016 41 V CB 0.964 32.804 31.823 0.030 0.000 0.984 41 V HN 0.766 nan 8.190 nan 0.000 0.478 42 V N 1.450 121.385 119.914 0.035 0.000 3.605 42 V HA 0.713 4.831 4.120 -0.004 0.000 0.284 42 V C 0.646 176.760 176.094 0.034 0.000 1.386 42 V CA 0.648 62.968 62.300 0.035 0.000 1.053 42 V CB 0.214 32.057 31.823 0.034 0.000 0.857 42 V HN 0.935 nan 8.190 nan 0.000 0.436 43 G N 0.295 109.110 108.800 0.025 0.000 2.732 43 G HA2 0.662 4.619 3.960 -0.004 0.000 0.296 43 G HA3 0.662 4.619 3.960 -0.004 0.000 0.296 43 G C -1.871 173.038 174.900 0.015 0.000 1.448 43 G CA -0.725 44.390 45.100 0.025 0.000 0.911 43 G HN 0.209 nan 8.290 nan 0.000 0.528 44 L N 0.650 121.888 121.223 0.025 0.000 2.408 44 L HA 0.833 5.171 4.340 -0.004 0.000 0.268 44 L C 0.130 177.013 176.870 0.022 0.000 0.986 44 L CA -1.016 53.835 54.840 0.018 0.000 0.820 44 L CB 2.409 44.483 42.059 0.025 0.000 1.303 44 L HN 0.789 nan 8.230 nan 0.000 0.411 45 A N 2.257 125.081 122.820 0.007 0.000 2.371 45 A HA 0.974 5.291 4.320 -0.004 0.000 0.311 45 A C -0.840 176.754 177.584 0.016 0.000 1.068 45 A CA -0.333 51.711 52.037 0.012 0.000 0.744 45 A CB 1.753 20.745 19.000 -0.013 0.000 1.239 45 A HN 0.792 nan 8.150 nan 0.000 0.435 46 A N 0.960 123.800 122.820 0.033 0.000 2.515 46 A HA 0.744 5.061 4.320 -0.004 0.000 0.296 46 A C 0.936 178.548 177.584 0.047 0.000 1.094 46 A CA -0.037 52.022 52.037 0.038 0.000 0.718 46 A CB 0.957 19.985 19.000 0.047 0.000 1.307 46 A HN 1.673 nan 8.150 nan 0.000 0.408 47 G N -0.183 108.648 108.800 0.051 0.000 2.414 47 G HA2 0.342 4.300 3.960 -0.004 0.000 0.215 47 G HA3 0.342 4.300 3.960 -0.004 0.000 0.215 47 G C 1.141 176.076 174.900 0.059 0.000 1.188 47 G CA 1.443 46.575 45.100 0.052 0.000 0.783 47 G HN 2.347 nan 8.290 nan 0.000 0.537 48 G N -1.243 107.597 108.800 0.067 0.000 2.485 48 G HA2 0.143 4.100 3.960 -0.004 0.000 0.181 48 G HA3 0.143 4.100 3.960 -0.004 0.000 0.181 48 G C 1.365 176.288 174.900 0.040 0.000 0.999 48 G CA 0.999 46.134 45.100 0.058 0.000 0.721 48 G HN 1.071 nan 8.290 nan 0.000 0.486 49 A N 0.009 122.855 122.820 0.044 0.000 1.940 49 A HA 0.179 4.497 4.320 -0.004 0.000 0.219 49 A C 0.970 178.457 177.584 -0.163 0.000 1.176 49 A CA 1.844 53.858 52.037 -0.037 0.000 0.631 49 A CB -0.377 18.626 19.000 0.006 0.000 0.814 49 A HN 0.687 nan 8.150 nan 0.000 0.446 50 H N -1.625 117.452 119.070 0.012 0.000 2.551 50 H HA 0.588 5.141 4.556 -0.004 0.000 0.321 50 H C 0.487 175.823 175.328 0.013 0.000 1.028 50 H CA -0.400 55.654 56.048 0.011 0.000 1.215 50 H CB 1.279 31.047 29.762 0.009 0.000 1.414 50 H HN 0.129 nan 8.280 nan 0.000 0.480 51 L N 1.270 122.546 121.223 0.088 0.000 2.577 51 L HA 0.026 4.363 4.340 -0.004 0.000 0.225 51 L C 1.733 178.636 176.870 0.055 0.000 1.053 51 L CA 0.190 55.066 54.840 0.060 0.000 0.866 51 L CB 0.127 42.205 42.059 0.032 0.000 1.132 51 L HN 0.636 nan 8.230 nan 0.000 0.486 52 D N -0.398 120.035 120.400 0.055 0.000 2.144 52 D HA -0.179 4.458 4.640 -0.004 0.000 0.199 52 D C 1.645 177.975 176.300 0.050 0.000 0.984 52 D CA 1.778 55.805 54.000 0.046 0.000 0.834 52 D CB -0.521 40.305 40.800 0.043 0.000 0.955 52 D HN 0.158 nan 8.370 nan 0.000 0.465 53 T N 1.131 115.727 114.554 0.069 0.000 2.701 53 T HA -0.103 4.245 4.350 -0.004 0.000 0.263 53 T C 1.940 176.663 174.700 0.039 0.000 1.040 53 T CA 0.976 63.106 62.100 0.050 0.000 1.147 53 T CB -0.460 68.436 68.868 0.046 0.000 0.865 53 T HN 0.069 nan 8.240 nan 0.000 0.426 54 L N 1.013 122.266 121.223 0.050 0.000 2.079 54 L HA 0.009 4.346 4.340 -0.004 0.000 0.210 54 L C 2.117 179.008 176.870 0.034 0.000 1.081 54 L CA 1.534 56.399 54.840 0.041 0.000 0.752 54 L CB -0.677 41.411 42.059 0.050 0.000 0.896 54 L HN 0.260 nan 8.230 nan 0.000 0.433 55 L N -1.030 120.213 121.223 0.033 0.000 2.093 55 L HA -0.185 4.153 4.340 -0.004 0.000 0.208 55 L C 2.745 179.630 176.870 0.024 0.000 1.085 55 L CA 1.405 56.261 54.840 0.027 0.000 0.755 55 L CB -0.487 41.587 42.059 0.024 0.000 0.904 55 L HN 0.290 nan 8.230 nan 0.000 0.435 56 R N 0.063 120.577 120.500 0.024 0.000 2.092 56 R HA -0.163 4.174 4.340 -0.004 0.000 0.231 56 R C 2.329 178.640 176.300 0.019 0.000 1.119 56 R CA 1.287 57.400 56.100 0.020 0.000 0.970 56 R CB -0.008 30.304 30.300 0.020 0.000 0.864 56 R HN 0.400 nan 8.270 nan 0.000 0.440 57 Q N -0.385 119.427 119.800 0.020 0.000 2.079 57 Q HA -0.186 4.151 4.340 -0.004 0.000 0.200 57 Q C 2.178 178.191 176.000 0.021 0.000 0.974 57 Q CA 1.579 57.393 55.803 0.018 0.000 0.840 57 Q CB -0.158 28.590 28.738 0.016 0.000 0.898 57 Q HN 0.277 nan 8.270 nan 0.000 0.430 58 R N 0.663 121.177 120.500 0.024 0.000 2.083 58 R HA -0.196 4.142 4.340 -0.004 0.000 0.237 58 R C 2.178 178.491 176.300 0.021 0.000 1.137 58 R CA 1.505 57.620 56.100 0.025 0.000 0.951 58 R CB -0.307 30.009 30.300 0.026 0.000 0.851 58 R HN 0.256 nan 8.270 nan 0.000 0.434 59 A N 0.436 123.268 122.820 0.019 0.000 1.902 59 A HA -0.194 4.124 4.320 -0.004 0.000 0.217 59 A C 2.055 179.650 177.584 0.017 0.000 1.181 59 A CA 1.511 53.558 52.037 0.017 0.000 0.623 59 A CB -0.427 18.582 19.000 0.016 0.000 0.818 59 A HN 0.516 nan 8.150 nan 0.000 0.443 60 Q N -1.001 118.810 119.800 0.018 0.000 2.137 60 Q HA -0.086 4.251 4.340 -0.004 0.000 0.198 60 Q C 2.185 178.197 176.000 0.020 0.000 0.960 60 Q CA 1.748 57.562 55.803 0.018 0.000 0.847 60 Q CB -0.248 28.501 28.738 0.018 0.000 0.915 60 Q HN 0.863 nan 8.270 nan 0.000 0.448 61 T N -3.775 110.792 114.554 0.022 0.000 3.051 61 T HA 0.216 4.563 4.350 -0.004 0.000 0.255 61 T C 1.476 176.190 174.700 0.025 0.000 1.085 61 T CA 0.640 62.755 62.100 0.025 0.000 1.109 61 T CB 0.409 69.292 68.868 0.026 0.000 0.921 61 T HN 0.418 nan 8.240 nan 0.000 0.488 62 G N 0.971 109.784 108.800 0.023 0.000 2.155 62 G HA2 -0.231 3.726 3.960 -0.004 0.000 0.257 62 G HA3 -0.231 3.726 3.960 -0.004 0.000 0.257 62 G C 0.083 174.998 174.900 0.026 0.000 0.983 62 G CA 0.129 45.242 45.100 0.022 0.000 0.676 62 G HN 0.727 nan 8.290 nan 0.000 0.528 63 V N 1.664 121.595 119.914 0.029 0.000 2.408 63 V HA 0.478 4.596 4.120 -0.004 0.000 0.267 63 V C 1.564 177.680 176.094 0.037 0.000 1.047 63 V CA 0.894 63.215 62.300 0.034 0.000 0.937 63 V CB 1.170 33.014 31.823 0.036 0.000 0.999 63 V HN 0.661 nan 8.190 nan 0.000 0.472 64 T N 0.400 114.977 114.554 0.039 0.000 3.023 64 T HA 0.076 4.424 4.350 -0.004 0.000 0.253 64 T C 0.811 175.545 174.700 0.057 0.000 1.038 64 T CA -0.169 61.955 62.100 0.039 0.000 0.962 64 T CB -0.274 68.609 68.868 0.026 0.000 1.018 64 T HN 0.421 nan 8.240 nan 0.000 0.521 65 N N 1.835 120.579 118.700 0.074 0.000 2.549 65 N HA 0.308 5.046 4.740 -0.004 0.000 0.267 65 N C -1.077 174.519 175.510 0.144 0.000 1.182 65 N CA -0.315 52.811 53.050 0.126 0.000 1.019 65 N CB -0.683 37.876 38.487 0.120 0.000 1.380 65 N HN 0.522 nan 8.380 nan 0.000 0.505 66 I N 0.943 121.615 120.570 0.169 0.000 2.608 66 I HA 0.545 4.713 4.170 -0.004 0.000 0.295 66 I C -0.357 175.894 176.117 0.224 0.000 1.049 66 I CA -1.266 60.122 61.300 0.147 0.000 1.063 66 I CB 2.124 40.181 38.000 0.095 0.000 1.248 66 I HN 0.302 nan 8.210 nan 0.000 0.424 67 A N 5.589 128.506 122.820 0.161 0.000 2.318 67 A HA 0.820 5.138 4.320 -0.004 0.000 0.324 67 A C -0.948 176.705 177.584 0.115 0.000 1.170 67 A CA -0.495 51.641 52.037 0.164 0.000 0.810 67 A CB 1.204 20.243 19.000 0.066 0.000 1.198 67 A HN 0.425 nan 8.150 nan 0.000 0.484 68 V N 2.703 122.699 119.914 0.136 0.000 2.443 68 V HA 0.460 4.577 4.120 -0.004 0.000 0.293 68 V C 1.121 177.284 176.094 0.115 0.000 1.021 68 V CA 0.105 62.469 62.300 0.107 0.000 0.848 68 V CB 0.937 32.817 31.823 0.096 0.000 0.998 68 V HN 1.182 nan 8.190 nan 0.000 0.424 69 A N 3.385 126.256 122.820 0.084 0.000 1.845 69 A HA -0.116 4.202 4.320 -0.004 0.000 0.215 69 A C 1.085 178.721 177.584 0.088 0.000 1.195 69 A CA 1.412 53.495 52.037 0.077 0.000 0.616 69 A CB -0.398 18.634 19.000 0.053 0.000 0.832 69 A HN 0.869 nan 8.150 nan 0.000 0.443 70 D N -0.295 120.153 120.400 0.081 0.000 2.434 70 D HA 0.114 4.752 4.640 -0.004 0.000 0.252 70 D C 1.138 177.494 176.300 0.093 0.000 1.185 70 D CA 0.117 54.172 54.000 0.092 0.000 0.886 70 D CB 0.539 41.389 40.800 0.083 0.000 1.148 70 D HN 0.282 nan 8.370 nan 0.000 0.483 71 E N 2.590 122.844 120.200 0.090 0.000 2.051 71 E HA -0.196 4.152 4.350 -0.004 0.000 0.192 71 E C 1.614 178.164 176.600 -0.084 0.000 0.991 71 E CA 1.093 57.489 56.400 -0.006 0.000 0.799 71 E CB -0.160 29.507 29.700 -0.054 0.000 0.748 71 E HN 0.702 nan 8.360 nan 0.000 0.449 72 H N 0.205 119.267 119.070 -0.014 0.000 2.387 72 H HA -0.018 4.536 4.556 -0.004 0.000 0.299 72 H C 2.071 177.384 175.328 -0.025 0.000 1.090 72 H CA 1.174 57.208 56.048 -0.023 0.000 1.332 72 H CB 0.021 29.774 29.762 -0.015 0.000 1.386 72 H HN 0.147 nan 8.280 nan 0.000 0.516 73 A N 1.431 124.317 122.820 0.110 0.000 1.902 73 A HA -0.084 4.234 4.320 -0.004 0.000 0.217 73 A C 2.711 180.307 177.584 0.019 0.000 1.181 73 A CA 1.529 53.599 52.037 0.055 0.000 0.623 73 A CB -0.772 18.260 19.000 0.054 0.000 0.818 73 A HN 0.428 nan 8.150 nan 0.000 0.443 74 A N -0.780 122.039 122.820 -0.002 0.000 1.933 74 A HA -0.186 4.132 4.320 -0.004 0.000 0.218 74 A C 2.109 179.629 177.584 -0.107 0.000 1.175 74 A CA 1.719 53.727 52.037 -0.048 0.000 0.628 74 A CB -0.412 18.544 19.000 -0.073 0.000 0.814 74 A HN 0.555 nan 8.150 nan 0.000 0.444 75 Q N -0.523 119.204 119.800 -0.122 0.000 2.083 75 Q HA -0.130 4.208 4.340 -0.004 0.000 0.198 75 Q C 2.182 178.149 176.000 -0.054 0.000 0.969 75 Q CA 1.514 57.250 55.803 -0.112 0.000 0.838 75 Q CB -0.544 28.122 28.738 -0.121 0.000 0.900 75 Q HN 0.792 nan 8.270 nan 0.000 0.436 76 R N 1.244 121.730 120.500 -0.024 0.000 2.091 76 R HA -0.126 4.212 4.340 -0.004 0.000 0.238 76 R C 2.269 178.566 176.300 -0.005 0.000 1.136 76 R CA 1.747 57.844 56.100 -0.005 0.000 0.959 76 R CB -0.064 30.244 30.300 0.013 0.000 0.856 76 R HN 0.262 nan 8.270 nan 0.000 0.437 77 V N -2.282 117.629 119.914 -0.004 0.000 2.488 77 V HA 0.260 4.378 4.120 -0.004 0.000 0.246 77 V C 1.053 177.144 176.094 -0.006 0.000 1.046 77 V CA 0.710 63.011 62.300 0.002 0.000 1.053 77 V CB -1.103 30.728 31.823 0.014 0.000 0.679 77 V HN 0.534 nan 8.190 nan 0.000 0.458 78 G N 0.484 109.271 108.800 -0.021 0.000 2.767 78 G HA2 0.013 3.971 3.960 -0.004 0.000 0.686 78 G HA3 0.013 3.971 3.960 -0.004 0.000 0.686 78 G C -0.421 174.469 174.900 -0.017 0.000 1.213 78 G CA -0.233 44.850 45.100 -0.027 0.000 0.803 78 G HN 0.893 nan 8.290 nan 0.000 0.603 79 D N -1.207 119.179 120.400 -0.024 0.000 2.746 79 D HA -0.157 4.481 4.640 -0.004 0.000 0.236 79 D C 0.667 176.969 176.300 0.003 0.000 1.129 79 D CA 1.437 55.431 54.000 -0.011 0.000 0.691 79 D CB -0.730 40.066 40.800 -0.007 0.000 1.077 79 D HN 0.701 nan 8.370 nan 0.000 0.432 80 I N 1.092 121.672 120.570 0.016 0.000 2.312 80 I HA 0.135 4.303 4.170 -0.004 0.000 0.290 80 I C -0.804 175.366 176.117 0.089 0.000 1.008 80 I CA -1.849 59.488 61.300 0.061 0.000 1.226 80 I CB 1.181 39.231 38.000 0.083 0.000 1.371 80 I HN -0.189 nan 8.210 nan 0.000 0.468 81 P HA -0.079 nan 4.420 nan 0.000 0.222 81 P C -0.364 176.659 177.300 -0.463 0.000 1.153 81 P CA 1.202 64.142 63.100 -0.267 0.000 0.798 81 P CB 0.218 31.665 31.700 -0.422 0.000 0.796 82 Y N 1.154 121.476 120.300 0.037 0.000 2.338 82 Y HA 0.376 4.923 4.550 -0.004 0.000 0.328 82 Y C 0.884 176.794 175.900 0.016 0.000 0.965 82 Y CA -0.931 57.143 58.100 -0.044 0.000 1.208 82 Y CB 1.103 39.547 38.460 -0.026 0.000 1.132 82 Y HN 0.067 nan 8.280 nan 0.000 0.469 83 H N 0.886 120.026 119.070 0.117 0.000 2.961 83 H HA 0.821 5.375 4.556 -0.004 0.000 0.371 83 H C 0.191 175.551 175.328 0.054 0.000 1.190 83 H CA -0.967 55.123 56.048 0.069 0.000 1.138 83 H CB 1.838 31.617 29.762 0.028 0.000 1.816 83 H HN 0.843 nan 8.280 nan 0.000 0.551 84 G N 0.848 109.752 108.800 0.173 0.000 2.512 84 G HA2 -0.298 3.659 3.960 -0.004 0.000 0.210 84 G HA3 -0.298 3.659 3.960 -0.004 0.000 0.210 84 G C 0.635 175.571 174.900 0.060 0.000 1.295 84 G CA 0.151 45.314 45.100 0.104 0.000 0.934 84 G HN 0.669 nan 8.290 nan 0.000 0.554 85 S N 0.232 115.956 115.700 0.040 0.000 2.427 85 S HA -0.113 4.355 4.470 -0.004 0.000 0.231 85 S C 1.120 175.731 174.600 0.017 0.000 1.045 85 S CA 1.910 60.126 58.200 0.027 0.000 1.154 85 S CB -0.247 62.964 63.200 0.020 0.000 1.093 85 S HN 0.666 nan 8.310 nan 0.000 0.422 86 D N 0.929 121.334 120.400 0.008 0.000 3.058 86 D HA 0.548 5.185 4.640 -0.004 0.000 0.272 86 D C 1.070 177.362 176.300 -0.014 0.000 1.350 86 D CA 0.103 54.099 54.000 -0.006 0.000 0.863 86 D CB 0.493 41.286 40.800 -0.012 0.000 1.064 86 D HN 0.310 nan 8.370 nan 0.000 0.488 87 A N 0.900 123.725 122.820 0.008 0.000 1.865 87 A HA -0.183 4.135 4.320 -0.004 0.000 0.217 87 A C 2.302 179.843 177.584 -0.072 0.000 1.191 87 A CA 1.942 53.993 52.037 0.023 0.000 0.623 87 A CB -0.315 18.735 19.000 0.084 0.000 0.826 87 A HN 0.369 nan 8.150 nan 0.000 0.444 88 A N -1.150 121.635 122.820 -0.058 0.000 1.908 88 A HA -0.109 4.209 4.320 -0.004 0.000 0.218 88 A C 2.309 179.812 177.584 -0.135 0.000 1.181 88 A CA 2.402 54.383 52.037 -0.093 0.000 0.627 88 A CB -1.361 17.607 19.000 -0.052 0.000 0.818 88 A HN 0.461 nan 8.150 nan 0.000 0.445 89 T N -0.417 114.075 114.554 -0.103 0.000 2.746 89 T HA -0.145 4.203 4.350 -0.004 0.000 0.267 89 T C 2.067 176.678 174.700 -0.148 0.000 1.039 89 T CA 1.599 63.638 62.100 -0.101 0.000 1.142 89 T CB -0.224 68.606 68.868 -0.062 0.000 0.866 89 T HN 0.515 nan 8.240 nan 0.000 0.444 90 R N 0.190 120.579 120.500 -0.185 0.000 2.075 90 R HA 0.051 4.389 4.340 -0.004 0.000 0.232 90 R C 2.461 178.438 176.300 -0.538 0.000 1.126 90 R CA 0.899 56.858 56.100 -0.235 0.000 0.963 90 R CB -0.609 29.638 30.300 -0.088 0.000 0.858 90 R HN 0.257 nan 8.270 nan 0.000 0.435 91 L N 0.824 121.537 121.223 -0.849 0.000 1.990 91 L HA -0.205 4.133 4.340 -0.004 0.000 0.213 91 L C 2.085 178.728 176.870 -0.379 0.000 1.072 91 L CA 1.673 55.980 54.840 -0.889 0.000 0.755 91 L CB -0.323 41.389 42.059 -0.578 0.000 0.889 91 L HN -0.080 nan 8.230 nan 0.000 0.432 92 V N -0.274 119.492 119.914 -0.246 0.000 2.343 92 V HA -0.282 3.835 4.120 -0.004 0.000 0.247 92 V C 2.491 178.519 176.094 -0.110 0.000 1.051 92 V CA 2.102 64.319 62.300 -0.140 0.000 1.036 92 V CB -0.735 31.025 31.823 -0.105 0.000 0.654 92 V HN 0.513 nan 8.190 nan 0.000 0.451 93 E N -0.262 119.867 120.200 -0.118 0.000 2.160 93 E HA -0.250 4.098 4.350 -0.004 0.000 0.195 93 E C 1.946 178.516 176.600 -0.049 0.000 0.991 93 E CA 1.245 57.602 56.400 -0.072 0.000 0.810 93 E CB -0.046 29.618 29.700 -0.061 0.000 0.742 93 E HN 0.676 nan 8.360 nan 0.000 0.466 94 Q N -0.526 119.235 119.800 -0.064 0.000 2.194 94 Q HA 0.115 4.453 4.340 -0.004 0.000 0.214 94 Q C -0.537 175.474 176.000 0.019 0.000 0.838 94 Q CA 0.067 55.873 55.803 0.005 0.000 0.972 94 Q CB 1.588 30.381 28.738 0.090 0.000 1.131 94 Q HN -0.060 nan 8.270 nan 0.000 0.498 95 T N 1.120 115.662 114.554 -0.019 0.000 2.779 95 T HA 0.236 4.583 4.350 -0.004 0.000 0.280 95 T C -0.499 174.201 174.700 -0.001 0.000 0.987 95 T CA -0.546 61.555 62.100 0.001 0.000 0.966 95 T CB 1.556 70.415 68.868 -0.015 0.000 0.933 95 T HN 0.043 nan 8.240 nan 0.000 0.442 96 E N 1.852 122.059 120.200 0.013 0.000 2.257 96 E HA 0.511 4.859 4.350 -0.004 0.000 0.278 96 E C -0.383 176.226 176.600 0.014 0.000 1.049 96 E CA -0.332 56.075 56.400 0.012 0.000 0.876 96 E CB 0.732 30.442 29.700 0.016 0.000 1.035 96 E HN 0.727 nan 8.360 nan 0.000 0.419 97 A N 3.401 126.228 122.820 0.011 0.000 2.609 97 A HA 0.308 4.626 4.320 -0.004 0.000 0.291 97 A C -0.358 177.239 177.584 0.021 0.000 1.096 97 A CA -0.716 51.331 52.037 0.017 0.000 0.684 97 A CB 1.409 20.413 19.000 0.008 0.000 1.282 97 A HN 0.583 nan 8.150 nan 0.000 0.412 98 D N -0.565 119.855 120.400 0.035 0.000 2.338 98 D HA 0.219 4.857 4.640 -0.004 0.000 0.208 98 D C -0.034 176.292 176.300 0.043 0.000 0.997 98 D CA 1.230 55.256 54.000 0.043 0.000 0.880 98 D CB 0.870 41.706 40.800 0.060 0.000 0.980 98 D HN 0.225 nan 8.370 nan 0.000 0.509 99 V N 1.484 121.422 119.914 0.040 0.000 2.686 99 V HA 0.294 4.412 4.120 -0.004 0.000 0.306 99 V C -0.358 175.734 176.094 -0.003 0.000 1.065 99 V CA -0.866 61.449 62.300 0.024 0.000 0.894 99 V CB 2.917 34.765 31.823 0.042 0.000 1.004 99 V HN -0.260 nan 8.190 nan 0.000 0.424 100 V N 5.355 125.256 119.914 -0.022 0.000 2.357 100 V HA 0.421 4.539 4.120 -0.004 0.000 0.284 100 V C -0.350 175.714 176.094 -0.050 0.000 1.018 100 V CA -0.543 61.735 62.300 -0.037 0.000 0.841 100 V CB 1.563 33.360 31.823 -0.043 0.000 0.991 100 V HN 0.679 nan 8.190 nan 0.000 0.437 101 L N 5.307 126.495 121.223 -0.058 0.000 2.268 101 L HA 0.500 4.838 4.340 -0.004 0.000 0.289 101 L C 0.124 176.955 176.870 -0.065 0.000 1.064 101 L CA 0.268 55.066 54.840 -0.070 0.000 0.824 101 L CB 0.565 42.573 42.059 -0.085 0.000 1.202 101 L HN 0.613 nan 8.230 nan 0.000 0.433 102 N N 4.389 123.049 118.700 -0.067 0.000 2.558 102 N HA 0.377 5.114 4.740 -0.004 0.000 0.233 102 N C -0.023 175.450 175.510 -0.062 0.000 1.038 102 N CA 0.282 53.295 53.050 -0.061 0.000 0.934 102 N CB 1.240 39.691 38.487 -0.061 0.000 1.175 102 N HN 0.705 nan 8.380 nan 0.000 0.512 103 A N 4.403 127.188 122.820 -0.058 0.000 2.574 103 A HA 0.293 4.611 4.320 -0.004 0.000 0.283 103 A C 0.516 178.073 177.584 -0.044 0.000 1.270 103 A CA -0.388 51.615 52.037 -0.057 0.000 0.945 103 A CB -0.192 18.770 19.000 -0.064 0.000 1.127 103 A HN 0.579 nan 8.150 nan 0.000 0.522 104 L N 0.183 121.383 121.223 -0.038 0.000 2.467 104 L HA 0.216 4.554 4.340 -0.004 0.000 0.270 104 L C -0.138 176.718 176.870 -0.025 0.000 1.205 104 L CA -0.179 54.645 54.840 -0.027 0.000 0.828 104 L CB 1.020 43.064 42.059 -0.025 0.000 1.101 104 L HN 0.061 nan 8.230 nan 0.000 0.479 105 V N 1.687 121.593 119.914 -0.015 0.000 2.427 105 V HA 0.777 4.895 4.120 -0.004 0.000 0.286 105 V C 0.618 176.707 176.094 -0.008 0.000 1.034 105 V CA 0.178 62.471 62.300 -0.011 0.000 0.893 105 V CB 0.615 32.436 31.823 -0.004 0.000 0.982 105 V HN 1.061 nan 8.190 nan 0.000 0.452 106 G N 4.132 112.926 108.800 -0.010 0.000 2.660 106 G HA2 0.125 4.083 3.960 -0.004 0.000 0.215 106 G HA3 0.125 4.083 3.960 -0.004 0.000 0.215 106 G C 0.793 175.685 174.900 -0.013 0.000 1.345 106 G CA -0.089 45.005 45.100 -0.009 0.000 0.877 106 G HN 1.503 nan 8.290 nan 0.000 0.549 107 A N -1.126 121.686 122.820 -0.014 0.000 2.076 107 A HA 0.138 4.456 4.320 -0.004 0.000 0.220 107 A C 2.553 180.127 177.584 -0.016 0.000 1.160 107 A CA 2.508 54.535 52.037 -0.017 0.000 0.653 107 A CB -0.296 18.692 19.000 -0.019 0.000 0.801 107 A HN 1.657 nan 8.150 nan 0.000 0.455 108 L N -0.169 121.046 121.223 -0.013 0.000 2.187 108 L HA -0.106 4.231 4.340 -0.004 0.000 0.213 108 L C 2.291 179.149 176.870 -0.019 0.000 1.100 108 L CA 1.866 56.699 54.840 -0.012 0.000 0.765 108 L CB -0.559 41.496 42.059 -0.006 0.000 0.904 108 L HN 0.337 nan 8.230 nan 0.000 0.437 109 G N -1.542 107.245 108.800 -0.023 0.000 2.572 109 G HA2 -0.165 3.792 3.960 -0.004 0.000 0.216 109 G HA3 -0.165 3.792 3.960 -0.004 0.000 0.216 109 G C 1.472 176.351 174.900 -0.035 0.000 1.133 109 G CA 0.549 45.630 45.100 -0.031 0.000 0.791 109 G HN 0.359 nan 8.290 nan 0.000 0.538 110 L N 0.675 121.879 121.223 -0.031 0.000 2.027 110 L HA 0.110 4.448 4.340 -0.004 0.000 0.206 110 L C 2.825 179.675 176.870 -0.034 0.000 1.074 110 L CA 1.597 56.417 54.840 -0.033 0.000 0.745 110 L CB -0.451 41.591 42.059 -0.028 0.000 0.898 110 L HN 0.083 nan 8.230 nan 0.000 0.433 111 R N -0.341 120.141 120.500 -0.030 0.000 2.073 111 R HA -0.121 4.217 4.340 -0.004 0.000 0.234 111 R C -0.089 176.187 176.300 -0.040 0.000 1.134 111 R CA 1.797 57.878 56.100 -0.032 0.000 0.952 111 R CB -1.809 28.475 30.300 -0.027 0.000 0.850 111 R HN 0.402 nan 8.270 nan 0.000 0.433 112 P HA -0.111 nan 4.420 nan 0.000 0.216 112 P C 1.143 178.411 177.300 -0.053 0.000 1.150 112 P CA 1.449 64.516 63.100 -0.054 0.000 0.837 112 P CB -0.059 31.608 31.700 -0.054 0.000 0.786 113 T N -0.331 114.193 114.554 -0.051 0.000 2.652 113 T HA -0.132 4.216 4.350 -0.004 0.000 0.267 113 T C 1.724 176.393 174.700 -0.051 0.000 1.039 113 T CA 1.251 63.319 62.100 -0.054 0.000 1.153 113 T CB -0.959 67.875 68.868 -0.056 0.000 0.863 113 T HN 0.047 nan 8.240 nan 0.000 0.428 114 L N 0.603 121.799 121.223 -0.045 0.000 2.046 114 L HA -0.069 4.269 4.340 -0.004 0.000 0.208 114 L C 2.981 179.828 176.870 -0.039 0.000 1.077 114 L CA 1.174 55.990 54.840 -0.041 0.000 0.747 114 L CB -0.621 41.417 42.059 -0.034 0.000 0.896 114 L HN 0.229 nan 8.230 nan 0.000 0.432 115 A N 0.064 122.859 122.820 -0.042 0.000 1.877 115 A HA -0.203 4.115 4.320 -0.004 0.000 0.216 115 A C 2.548 180.105 177.584 -0.044 0.000 1.186 115 A CA 1.827 53.838 52.037 -0.043 0.000 0.620 115 A CB -0.806 18.163 19.000 -0.052 0.000 0.822 115 A HN 0.396 nan 8.150 nan 0.000 0.443 116 A N -0.239 122.553 122.820 -0.048 0.000 1.908 116 A HA -0.079 4.239 4.320 -0.004 0.000 0.218 116 A C 2.175 179.735 177.584 -0.040 0.000 1.181 116 A CA 1.593 53.602 52.037 -0.046 0.000 0.627 116 A CB -0.652 18.318 19.000 -0.050 0.000 0.818 116 A HN 0.488 nan 8.150 nan 0.000 0.445 117 L N -0.761 120.436 121.223 -0.043 0.000 2.083 117 L HA -0.180 4.158 4.340 -0.004 0.000 0.209 117 L C 2.587 179.438 176.870 -0.032 0.000 1.083 117 L CA 1.841 56.656 54.840 -0.041 0.000 0.752 117 L CB -0.419 41.612 42.059 -0.047 0.000 0.899 117 L HN 0.474 nan 8.230 nan 0.000 0.433 118 K N 0.261 120.642 120.400 -0.030 0.000 2.209 118 K HA -0.182 4.136 4.320 -0.004 0.000 0.204 118 K C 2.021 178.609 176.600 -0.020 0.000 1.048 118 K CA 1.761 58.033 56.287 -0.024 0.000 0.940 118 K CB -0.045 32.441 32.500 -0.024 0.000 0.729 118 K HN 0.415 nan 8.250 nan 0.000 0.451 119 T N -3.499 111.041 114.554 -0.022 0.000 3.035 119 T HA 0.105 4.453 4.350 -0.004 0.000 0.268 119 T C 1.466 176.159 174.700 -0.012 0.000 1.109 119 T CA 0.879 62.969 62.100 -0.017 0.000 1.119 119 T CB -0.057 68.799 68.868 -0.020 0.000 0.900 119 T HN 0.430 nan 8.240 nan 0.000 0.503 120 G N 1.121 109.913 108.800 -0.014 0.000 2.195 120 G HA2 -0.066 3.892 3.960 -0.004 0.000 0.246 120 G HA3 -0.066 3.892 3.960 -0.004 0.000 0.246 120 G C 0.383 175.279 174.900 -0.005 0.000 0.984 120 G CA -0.024 45.071 45.100 -0.009 0.000 0.633 120 G HN 1.206 nan 8.290 nan 0.000 0.525 121 A N 0.244 123.060 122.820 -0.007 0.000 2.406 121 A HA 0.627 4.945 4.320 -0.004 0.000 0.243 121 A C 0.925 178.505 177.584 -0.006 0.000 1.082 121 A CA 0.754 52.790 52.037 -0.002 0.000 0.786 121 A CB 0.175 19.172 19.000 -0.005 0.000 1.029 121 A HN 1.021 nan 8.150 nan 0.000 0.495 122 R N 0.444 120.948 120.500 0.006 0.000 2.570 122 R HA 0.238 4.576 4.340 -0.004 0.000 0.277 122 R C -1.029 175.256 176.300 -0.025 0.000 1.039 122 R CA -0.263 55.836 56.100 -0.002 0.000 1.065 122 R CB 0.086 30.404 30.300 0.030 0.000 0.964 122 R HN 0.545 nan 8.270 nan 0.000 0.428 123 L N 4.758 125.950 121.223 -0.051 0.000 2.264 123 L HA 0.377 4.714 4.340 -0.004 0.000 0.287 123 L C -0.706 176.113 176.870 -0.085 0.000 1.039 123 L CA 0.027 54.827 54.840 -0.067 0.000 0.829 123 L CB 1.150 43.162 42.059 -0.079 0.000 1.211 123 L HN 0.760 nan 8.230 nan 0.000 0.427 124 A N 5.572 128.348 122.820 -0.073 0.000 2.437 124 A HA 0.430 4.748 4.320 -0.004 0.000 0.303 124 A C -0.592 176.937 177.584 -0.093 0.000 1.324 124 A CA -0.348 51.638 52.037 -0.085 0.000 0.983 124 A CB -0.311 18.645 19.000 -0.074 0.000 1.142 124 A HN 0.652 nan 8.150 nan 0.000 0.541 125 L N 3.354 124.512 121.223 -0.109 0.000 2.257 125 L HA 0.614 4.952 4.340 -0.004 0.000 0.290 125 L C 0.843 177.658 176.870 -0.092 0.000 1.044 125 L CA 0.534 55.312 54.840 -0.103 0.000 0.810 125 L CB 1.175 43.158 42.059 -0.126 0.000 1.193 125 L HN 0.651 nan 8.230 nan 0.000 0.425 126 A N 4.018 126.789 122.820 -0.081 0.000 2.055 126 A HA 0.105 4.423 4.320 -0.004 0.000 0.205 126 A C 0.980 178.526 177.584 -0.064 0.000 1.235 126 A CA -0.047 51.943 52.037 -0.078 0.000 0.822 126 A CB -0.277 18.671 19.000 -0.088 0.000 0.903 126 A HN 0.749 nan 8.150 nan 0.000 0.473 127 N N 1.126 119.791 118.700 -0.059 0.000 2.423 127 N HA -0.028 4.709 4.740 -0.004 0.000 0.275 127 N C 0.505 175.991 175.510 -0.040 0.000 1.283 127 N CA 0.128 53.150 53.050 -0.047 0.000 0.932 127 N CB 0.452 38.911 38.487 -0.047 0.000 1.185 127 N HN 0.349 nan 8.380 nan 0.000 0.483 128 K N 2.678 123.064 120.400 -0.024 0.000 2.097 128 K HA -0.227 4.091 4.320 -0.004 0.000 0.206 128 K C 1.494 178.088 176.600 -0.009 0.000 1.049 128 K CA 1.341 57.624 56.287 -0.007 0.000 0.933 128 K CB 0.042 32.552 32.500 0.017 0.000 0.717 128 K HN 0.610 nan 8.250 nan 0.000 0.442 129 E N 1.247 121.441 120.200 -0.011 0.000 2.130 129 E HA -0.179 4.168 4.350 -0.004 0.000 0.196 129 E C 1.719 178.305 176.600 -0.023 0.000 0.998 129 E CA 1.853 58.247 56.400 -0.011 0.000 0.806 129 E CB -0.067 29.624 29.700 -0.014 0.000 0.738 129 E HN 0.075 nan 8.360 nan 0.000 0.459 130 S N -0.044 115.634 115.700 -0.036 0.000 2.365 130 S HA -0.176 4.292 4.470 -0.004 0.000 0.225 130 S C 1.825 176.394 174.600 -0.053 0.000 1.039 130 S CA 1.541 59.712 58.200 -0.048 0.000 1.033 130 S CB -0.300 62.863 63.200 -0.062 0.000 0.887 130 S HN 0.302 nan 8.310 nan 0.000 0.447 131 L N 0.415 121.602 121.223 -0.060 0.000 2.145 131 L HA 0.041 4.379 4.340 -0.004 0.000 0.201 131 L C 2.316 179.168 176.870 -0.031 0.000 1.075 131 L CA 0.532 55.332 54.840 -0.068 0.000 0.773 131 L CB -0.462 41.529 42.059 -0.114 0.000 0.936 131 L HN 0.181 nan 8.230 nan 0.000 0.451 132 V N 0.186 120.094 119.914 -0.010 0.000 2.343 132 V HA -0.255 3.863 4.120 -0.004 0.000 0.247 132 V C 2.525 178.631 176.094 0.019 0.000 1.051 132 V CA 2.010 64.323 62.300 0.020 0.000 1.036 132 V CB -0.709 31.142 31.823 0.048 0.000 0.654 132 V HN 0.474 nan 8.190 nan 0.000 0.451 133 A N -0.085 122.738 122.820 0.004 0.000 1.924 133 A HA 0.233 4.551 4.320 -0.004 0.000 0.211 133 A C 2.333 179.909 177.584 -0.012 0.000 1.198 133 A CA 1.103 53.136 52.037 -0.006 0.000 0.657 133 A CB -0.860 18.130 19.000 -0.016 0.000 0.852 133 A HN 0.470 nan 8.150 nan 0.000 0.454 134 G N -0.583 108.206 108.800 -0.019 0.000 2.422 134 G HA2 0.260 4.217 3.960 -0.004 0.000 0.218 134 G HA3 0.260 4.217 3.960 -0.004 0.000 0.218 134 G C 1.418 176.307 174.900 -0.018 0.000 1.140 134 G CA 1.003 46.089 45.100 -0.023 0.000 0.775 134 G HN 1.356 nan 8.290 nan 0.000 0.545 135 G N 0.315 109.105 108.800 -0.016 0.000 2.698 135 G HA2 -0.410 3.548 3.960 -0.004 0.000 0.337 135 G HA3 -0.410 3.548 3.960 -0.004 0.000 0.337 135 G C 1.602 176.489 174.900 -0.022 0.000 1.286 135 G CA 1.299 46.394 45.100 -0.008 0.000 1.000 135 G HN 0.565 nan 8.290 nan 0.000 0.547 136 S N 0.217 115.913 115.700 -0.008 0.000 2.423 136 S HA 0.090 4.558 4.470 -0.004 0.000 0.231 136 S C 2.541 177.127 174.600 -0.022 0.000 1.014 136 S CA 1.382 59.573 58.200 -0.016 0.000 0.965 136 S CB -0.253 62.947 63.200 -0.001 0.000 0.785 136 S HN 0.441 nan 8.310 nan 0.000 0.495 137 L N 0.677 121.890 121.223 -0.017 0.000 2.012 137 L HA -0.143 4.195 4.340 -0.004 0.000 0.210 137 L C 2.271 179.121 176.870 -0.032 0.000 1.073 137 L CA 1.200 56.028 54.840 -0.020 0.000 0.748 137 L CB -0.617 41.433 42.059 -0.015 0.000 0.891 137 L HN 0.235 nan 8.230 nan 0.000 0.431 138 V N -0.122 119.767 119.914 -0.042 0.000 2.307 138 V HA -0.270 3.848 4.120 -0.004 0.000 0.245 138 V C 2.375 178.429 176.094 -0.067 0.000 1.045 138 V CA 1.467 63.733 62.300 -0.056 0.000 1.024 138 V CB -0.362 31.421 31.823 -0.067 0.000 0.651 138 V HN 0.332 nan 8.190 nan 0.000 0.449 139 L N -0.466 120.713 121.223 -0.073 0.000 2.012 139 L HA -0.226 4.112 4.340 -0.004 0.000 0.210 139 L C 2.775 179.607 176.870 -0.065 0.000 1.073 139 L CA 1.813 56.603 54.840 -0.084 0.000 0.748 139 L CB -0.697 41.308 42.059 -0.090 0.000 0.891 139 L HN 0.232 nan 8.230 nan 0.000 0.431 140 R N -0.203 120.269 120.500 -0.048 0.000 2.152 140 R HA -0.125 4.213 4.340 -0.004 0.000 0.232 140 R C 2.263 178.541 176.300 -0.037 0.000 1.117 140 R CA 1.212 57.289 56.100 -0.037 0.000 0.981 140 R CB -0.301 29.983 30.300 -0.026 0.000 0.870 140 R HN 0.376 nan 8.270 nan 0.000 0.451 141 A N 0.593 123.388 122.820 -0.041 0.000 2.119 141 A HA 0.222 4.540 4.320 -0.004 0.000 0.216 141 A C 0.930 178.487 177.584 -0.044 0.000 1.152 141 A CA 0.649 52.663 52.037 -0.039 0.000 0.708 141 A CB 0.132 19.108 19.000 -0.039 0.000 0.805 141 A HN 0.288 nan 8.150 nan 0.000 0.460 142 A N 0.026 122.813 122.820 -0.055 0.000 2.306 142 A HA 0.647 4.965 4.320 -0.004 0.000 0.314 142 A C 0.298 177.850 177.584 -0.054 0.000 1.164 142 A CA -0.677 51.323 52.037 -0.061 0.000 0.822 142 A CB 0.430 19.379 19.000 -0.085 0.000 1.130 142 A HN 0.470 nan 8.150 nan 0.000 0.496 143 R N 1.110 121.583 120.500 -0.046 0.000 2.560 143 R HA 0.380 4.718 4.340 -0.004 0.000 0.270 143 R C -2.462 173.811 176.300 -0.044 0.000 1.074 143 R CA -1.544 54.534 56.100 -0.036 0.000 1.140 143 R CB 0.137 30.423 30.300 -0.023 0.000 1.073 143 R HN 0.449 nan 8.270 nan 0.000 0.527 144 P HA -0.001 nan 4.420 nan 0.000 0.264 144 P C 0.388 177.674 177.300 -0.023 0.000 1.193 144 P CA 0.833 63.913 63.100 -0.033 0.000 0.763 144 P CB 0.579 32.271 31.700 -0.013 0.000 0.810 145 G N 2.501 111.276 108.800 -0.043 0.000 2.205 145 G HA2 -0.349 3.609 3.960 -0.004 0.000 0.261 145 G HA3 -0.349 3.609 3.960 -0.004 0.000 0.261 145 G C 1.073 175.938 174.900 -0.058 0.000 0.980 145 G CA 0.468 45.549 45.100 -0.032 0.000 0.632 145 G HN 0.570 nan 8.290 nan 0.000 0.533 146 Q N -0.302 119.458 119.800 -0.067 0.000 2.187 146 Q HA 0.241 4.579 4.340 -0.004 0.000 0.199 146 Q C 1.153 177.094 176.000 -0.098 0.000 0.957 146 Q CA 0.501 56.267 55.803 -0.061 0.000 0.857 146 Q CB 0.014 28.720 28.738 -0.053 0.000 0.929 146 Q HN 0.668 nan 8.270 nan 0.000 0.453 147 I N 1.629 122.111 120.570 -0.146 0.000 2.342 147 I HA 0.170 4.338 4.170 -0.004 0.000 0.291 147 I C -0.943 175.020 176.117 -0.256 0.000 1.010 147 I CA -0.641 60.548 61.300 -0.186 0.000 1.308 147 I CB 1.653 39.528 38.000 -0.208 0.000 1.400 147 I HN -0.154 nan 8.210 nan 0.000 0.488 148 V N 8.499 128.265 119.914 -0.246 0.000 2.444 148 V HA 0.365 4.483 4.120 -0.004 0.000 0.294 148 V C -2.174 173.768 176.094 -0.253 0.000 1.022 148 V CA -1.693 60.406 62.300 -0.336 0.000 0.850 148 V CB 1.748 33.371 31.823 -0.333 0.000 0.992 148 V HN 0.583 nan 8.190 nan 0.000 0.426 149 P HA 0.245 nan 4.420 nan 0.000 0.279 149 P C 0.328 177.577 177.300 -0.086 0.000 1.239 149 P CA 0.018 63.029 63.100 -0.147 0.000 0.789 149 P CB 2.262 33.907 31.700 -0.092 0.000 0.933 150 V N 0.891 120.764 119.914 -0.068 0.000 3.263 150 V HA 0.002 4.119 4.120 -0.004 0.000 0.248 150 V C 1.217 177.246 176.094 -0.107 0.000 1.145 150 V CA 0.578 62.828 62.300 -0.083 0.000 1.107 150 V CB -0.758 31.006 31.823 -0.099 0.000 0.797 150 V HN 0.621 nan 8.190 nan 0.000 0.467 151 D N 1.312 121.667 120.400 -0.074 0.000 2.533 151 D HA -0.092 4.545 4.640 -0.004 0.000 0.236 151 D C 1.547 177.722 176.300 -0.208 0.000 1.137 151 D CA 0.927 54.829 54.000 -0.164 0.000 0.867 151 D CB 1.504 42.267 40.800 -0.061 0.000 1.170 151 D HN 0.350 nan 8.370 nan 0.000 0.474 152 S N 3.449 118.942 115.700 -0.344 0.000 2.399 152 S HA -0.183 4.285 4.470 -0.004 0.000 0.231 152 S C 1.362 175.876 174.600 -0.144 0.000 1.022 152 S CA 0.718 58.742 58.200 -0.294 0.000 0.983 152 S CB -0.055 62.861 63.200 -0.473 0.000 0.803 152 S HN 0.588 nan 8.310 nan 0.000 0.480 153 E N 1.351 121.448 120.200 -0.172 0.000 2.072 153 E HA -0.141 4.207 4.350 -0.004 0.000 0.191 153 E C 2.008 178.565 176.600 -0.071 0.000 0.985 153 E CA 1.535 57.862 56.400 -0.120 0.000 0.801 153 E CB -0.513 29.058 29.700 -0.215 0.000 0.750 153 E HN 0.831 nan 8.360 nan 0.000 0.452 154 H N 0.062 119.167 119.070 0.059 0.000 2.395 154 H HA 0.005 4.558 4.556 -0.004 0.000 0.299 154 H C 2.422 177.831 175.328 0.135 0.000 1.070 154 H CA 1.102 57.245 56.048 0.159 0.000 1.356 154 H CB 0.129 29.958 29.762 0.112 0.000 1.401 154 H HN 0.013 nan 8.280 nan 0.000 0.524 155 S N 0.460 116.244 115.700 0.140 0.000 2.356 155 S HA -0.209 4.259 4.470 -0.004 0.000 0.223 155 S C 2.410 177.086 174.600 0.127 0.000 1.032 155 S CA 0.982 59.240 58.200 0.098 0.000 1.005 155 S CB -0.382 62.844 63.200 0.043 0.000 0.867 155 S HN 0.504 nan 8.310 nan 0.000 0.449 156 A N 1.539 124.417 122.820 0.097 0.000 1.883 156 A HA 0.004 4.322 4.320 -0.004 0.000 0.217 156 A C 2.250 179.869 177.584 0.059 0.000 1.186 156 A CA 1.620 53.720 52.037 0.104 0.000 0.624 156 A CB -0.945 18.130 19.000 0.125 0.000 0.822 156 A HN 0.579 nan 8.150 nan 0.000 0.444 157 L N -0.759 120.463 121.223 -0.003 0.000 2.012 157 L HA -0.247 4.091 4.340 -0.004 0.000 0.210 157 L C 3.133 179.888 176.870 -0.193 0.000 1.073 157 L CA 1.235 55.962 54.840 -0.189 0.000 0.748 157 L CB -0.638 41.166 42.059 -0.426 0.000 0.891 157 L HN 0.452 nan 8.230 nan 0.000 0.431 158 A N -0.543 122.265 122.820 -0.020 0.000 1.940 158 A HA -0.276 4.042 4.320 -0.004 0.000 0.219 158 A C 2.219 179.973 177.584 0.283 0.000 1.176 158 A CA 1.816 53.930 52.037 0.129 0.000 0.631 158 A CB -0.487 18.550 19.000 0.062 0.000 0.814 158 A HN 0.522 nan 8.150 nan 0.000 0.446 159 Q N -1.187 118.783 119.800 0.283 0.000 2.046 159 Q HA -0.160 4.178 4.340 -0.004 0.000 0.200 159 Q C 2.300 178.405 176.000 0.175 0.000 0.975 159 Q CA 1.646 57.611 55.803 0.270 0.000 0.836 159 Q CB -0.401 28.468 28.738 0.219 0.000 0.896 159 Q HN 0.748 nan 8.270 nan 0.000 0.428 160 C N 0.589 119.961 119.300 0.120 0.000 2.422 160 C HA -0.072 4.385 4.460 -0.004 0.000 0.279 160 C C 2.410 177.521 174.990 0.202 0.000 1.305 160 C CA 0.428 59.523 59.018 0.128 0.000 1.757 160 C CB -0.895 26.877 27.740 0.052 0.000 1.962 160 C HN 0.463 nan 8.230 nan 0.000 0.499 161 L N 0.286 121.582 121.223 0.122 0.000 2.362 161 L HA -0.081 4.257 4.340 -0.004 0.000 0.219 161 L C 2.620 179.625 176.870 0.224 0.000 1.134 161 L CA 0.969 55.907 54.840 0.163 0.000 0.807 161 L CB -0.513 41.557 42.059 0.018 0.000 0.927 161 L HN 0.349 nan 8.230 nan 0.000 0.447 162 R N -0.100 120.515 120.500 0.191 0.000 2.241 162 R HA -0.091 4.246 4.340 -0.004 0.000 0.224 162 R C 2.186 178.527 176.300 0.069 0.000 1.101 162 R CA 0.887 57.066 56.100 0.130 0.000 0.995 162 R CB -0.464 29.898 30.300 0.103 0.000 0.870 162 R HN 0.388 nan 8.270 nan 0.000 0.463 163 G N 0.035 108.895 108.800 0.100 0.000 2.625 163 G HA2 0.063 4.021 3.960 -0.004 0.000 0.214 163 G HA3 0.063 4.021 3.960 -0.004 0.000 0.214 163 G C 0.426 174.993 174.900 -0.555 0.000 1.132 163 G CA 0.710 45.709 45.100 -0.167 0.000 0.782 163 G HN 0.471 nan 8.290 nan 0.000 0.538 164 G N -1.519 107.143 108.800 -0.231 0.000 2.488 164 G HA2 0.497 4.455 3.960 -0.004 0.000 0.301 164 G HA3 0.497 4.455 3.960 -0.004 0.000 0.301 164 G C -0.492 174.449 174.900 0.069 0.000 1.339 164 G CA 0.091 45.081 45.100 -0.183 0.000 0.803 164 G HN 0.553 nan 8.290 nan 0.000 0.482 165 T N -1.216 113.378 114.554 0.067 0.000 2.874 165 T HA 0.557 4.905 4.350 -0.004 0.000 0.281 165 T C -1.536 173.238 174.700 0.125 0.000 0.994 165 T CA -1.133 61.018 62.100 0.085 0.000 1.015 165 T CB 1.932 70.830 68.868 0.049 0.000 1.028 165 T HN 0.134 nan 8.240 nan 0.000 0.523 166 P HA -0.113 nan 4.420 nan 0.000 0.216 166 P C 1.203 178.546 177.300 0.072 0.000 1.150 166 P CA 1.210 64.359 63.100 0.082 0.000 0.837 166 P CB -0.120 31.616 31.700 0.060 0.000 0.786 167 D N -0.233 120.205 120.400 0.064 0.000 2.350 167 D HA -0.169 4.468 4.640 -0.004 0.000 0.216 167 D C 1.193 177.537 176.300 0.073 0.000 0.968 167 D CA 0.993 55.026 54.000 0.054 0.000 0.894 167 D CB -0.897 39.927 40.800 0.040 0.000 0.909 167 D HN 0.288 nan 8.370 nan 0.000 0.520 168 E N -0.189 120.083 120.200 0.120 0.000 2.474 168 E HA 0.120 4.468 4.350 -0.004 0.000 0.195 168 E C -0.024 176.734 176.600 0.264 0.000 1.039 168 E CA -0.186 56.324 56.400 0.183 0.000 0.881 168 E CB 1.043 30.858 29.700 0.191 0.000 0.970 168 E HN 0.080 nan 8.360 nan 0.000 0.486 169 V N 1.494 121.490 119.914 0.137 0.000 2.508 169 V HA 0.091 4.209 4.120 -0.004 0.000 0.281 169 V C 0.887 176.939 176.094 -0.071 0.000 1.041 169 V CA 0.386 62.644 62.300 -0.069 0.000 1.016 169 V CB 1.151 32.901 31.823 -0.122 0.000 0.984 169 V HN 0.217 nan 8.190 nan 0.000 0.478 170 A N 5.334 128.078 122.820 -0.127 0.000 1.920 170 A HA 0.342 4.659 4.320 -0.004 0.000 0.209 170 A C 0.840 178.367 177.584 -0.096 0.000 1.229 170 A CA 0.553 52.544 52.037 -0.075 0.000 0.671 170 A CB 0.344 19.318 19.000 -0.044 0.000 0.886 170 A HN 0.677 nan 8.150 nan 0.000 0.461 171 K N -0.555 119.752 120.400 -0.155 0.000 2.546 171 K HA 0.612 4.929 4.320 -0.004 0.000 0.264 171 K C -1.838 174.652 176.600 -0.184 0.000 0.937 171 K CA -0.452 55.757 56.287 -0.130 0.000 0.833 171 K CB 2.114 34.557 32.500 -0.096 0.000 1.378 171 K HN 0.188 nan 8.250 nan 0.000 0.432 172 L N 2.170 123.309 121.223 -0.139 0.000 2.307 172 L HA 0.558 4.895 4.340 -0.004 0.000 0.284 172 L C -0.642 176.173 176.870 -0.092 0.000 1.023 172 L CA -1.229 53.520 54.840 -0.152 0.000 0.810 172 L CB 1.730 43.704 42.059 -0.142 0.000 1.231 172 L HN 0.231 nan 8.230 nan 0.000 0.423 173 V N 4.500 124.359 119.914 -0.093 0.000 2.349 173 V HA 0.330 4.447 4.120 -0.004 0.000 0.284 173 V C -0.072 176.007 176.094 -0.026 0.000 1.014 173 V CA -0.494 61.775 62.300 -0.053 0.000 0.826 173 V CB 1.494 33.276 31.823 -0.069 0.000 1.009 173 V HN 0.431 nan 8.190 nan 0.000 0.431 174 L N 4.693 125.919 121.223 0.005 0.000 2.350 174 L HA 0.610 4.947 4.340 -0.004 0.000 0.275 174 L C 0.898 177.795 176.870 0.046 0.000 1.099 174 L CA 0.478 55.332 54.840 0.024 0.000 0.808 174 L CB 1.636 43.716 42.059 0.035 0.000 1.149 174 L HN 0.825 nan 8.230 nan 0.000 0.442 175 T N -0.174 114.417 114.554 0.063 0.000 2.902 175 T HA 0.895 5.243 4.350 -0.004 0.000 0.283 175 T C -0.358 174.399 174.700 0.095 0.000 1.009 175 T CA -0.773 61.386 62.100 0.098 0.000 1.051 175 T CB 1.790 70.726 68.868 0.114 0.000 0.999 175 T HN 0.746 nan 8.240 nan 0.000 0.474 176 A N 1.315 124.184 122.820 0.082 0.000 2.414 176 A HA 0.666 4.984 4.320 -0.004 0.000 0.306 176 A C 1.120 178.704 177.584 0.000 0.000 1.054 176 A CA -0.367 51.695 52.037 0.041 0.000 0.724 176 A CB 1.448 20.454 19.000 0.011 0.000 1.267 176 A HN 1.165 nan 8.150 nan 0.000 0.418 177 S N 1.198 116.875 115.700 -0.039 0.000 2.423 177 S HA 0.256 4.724 4.470 -0.004 0.000 0.231 177 S C 1.555 176.073 174.600 -0.137 0.000 1.014 177 S CA 1.584 59.715 58.200 -0.115 0.000 0.965 177 S CB -0.189 62.924 63.200 -0.145 0.000 0.785 177 S HN 2.718 nan 8.310 nan 0.000 0.495 178 G N 0.639 109.349 108.800 -0.150 0.000 2.258 178 G HA2 0.182 4.140 3.960 -0.004 0.000 0.233 178 G HA3 0.182 4.140 3.960 -0.004 0.000 0.233 178 G C 1.219 175.940 174.900 -0.299 0.000 1.006 178 G CA 0.298 45.261 45.100 -0.229 0.000 0.620 178 G HN 1.926 nan 8.290 nan 0.000 0.511 179 G N 0.032 108.686 108.800 -0.244 0.000 2.741 179 G HA2 0.161 4.119 3.960 -0.004 0.000 0.222 179 G HA3 0.161 4.119 3.960 -0.004 0.000 0.222 179 G C -0.719 173.940 174.900 -0.403 0.000 1.364 179 G CA 0.466 45.387 45.100 -0.299 0.000 0.866 179 G HN 0.951 nan 8.290 nan 0.000 0.555 180 P HA 0.091 nan 4.420 nan 0.000 0.225 180 P C 1.134 177.899 177.300 -0.892 0.000 1.156 180 P CA 1.255 63.897 63.100 -0.763 0.000 0.787 180 P CB -0.059 31.029 31.700 -1.020 0.000 0.802 181 F N -0.076 119.523 119.950 -0.584 0.000 2.660 181 F HA 0.258 4.783 4.527 -0.004 0.000 0.297 181 F C 1.335 176.969 175.800 -0.277 0.000 1.132 181 F CA -1.021 56.410 58.000 -0.948 0.000 1.372 181 F CB -0.226 38.343 39.000 -0.719 0.000 1.003 181 F HN -0.258 nan 8.300 nan 0.000 0.524 182 R N 1.495 121.944 120.500 -0.085 0.000 2.446 182 R HA 0.252 4.590 4.340 -0.004 0.000 0.314 182 R C 1.073 177.542 176.300 0.282 0.000 1.003 182 R CA 1.044 57.173 56.100 0.048 0.000 1.018 182 R CB -0.045 30.225 30.300 -0.051 0.000 0.945 182 R HN 0.550 nan 8.270 nan 0.000 0.419 183 G N 3.627 112.652 108.800 0.376 0.000 2.136 183 G HA2 -0.226 3.732 3.960 -0.004 0.000 0.242 183 G HA3 -0.226 3.732 3.960 -0.004 0.000 0.242 183 G C -0.791 174.412 174.900 0.504 0.000 0.989 183 G CA -0.044 45.284 45.100 0.381 0.000 0.682 183 G HN 0.565 nan 8.290 nan 0.000 0.522 184 W N 1.599 123.047 121.300 0.247 0.000 2.449 184 W HA 0.689 5.346 4.660 -0.004 0.000 0.331 184 W C 1.096 177.668 176.519 0.089 0.000 1.119 184 W CA -0.586 56.857 57.345 0.163 0.000 1.240 184 W CB 1.196 30.767 29.460 0.187 0.000 1.251 184 W HN 0.538 nan 8.180 nan 0.000 0.576 185 S N 1.166 116.981 115.700 0.192 0.000 2.593 185 S HA 0.454 4.921 4.470 -0.004 0.000 0.269 185 S C 1.128 175.759 174.600 0.052 0.000 1.334 185 S CA -0.064 58.188 58.200 0.087 0.000 1.015 185 S CB 1.330 64.547 63.200 0.029 0.000 0.912 185 S HN 0.658 nan 8.310 nan 0.000 0.541 186 A N 2.263 125.077 122.820 -0.009 0.000 1.948 186 A HA 0.054 4.372 4.320 -0.004 0.000 0.220 186 A C 2.428 180.002 177.584 -0.018 0.000 1.177 186 A CA 2.046 54.054 52.037 -0.049 0.000 0.636 186 A CB -1.742 17.225 19.000 -0.055 0.000 0.815 186 A HN 1.419 nan 8.150 nan 0.000 0.449 187 A N 0.038 122.858 122.820 0.001 0.000 1.908 187 A HA -0.219 4.099 4.320 -0.004 0.000 0.218 187 A C 1.778 179.386 177.584 0.040 0.000 1.181 187 A CA 1.912 53.958 52.037 0.015 0.000 0.627 187 A CB -0.641 18.367 19.000 0.014 0.000 0.818 187 A HN 0.485 nan 8.150 nan 0.000 0.445 188 D N 0.182 120.604 120.400 0.037 0.000 2.149 188 D HA -0.130 4.507 4.640 -0.004 0.000 0.198 188 D C 1.803 178.196 176.300 0.155 0.000 0.990 188 D CA 1.033 55.066 54.000 0.056 0.000 0.839 188 D CB -0.342 40.446 40.800 -0.021 0.000 0.948 188 D HN 0.469 nan 8.370 nan 0.000 0.460 189 L N 0.448 121.730 121.223 0.097 0.000 2.465 189 L HA -0.092 4.246 4.340 -0.004 0.000 0.224 189 L C 2.129 178.980 176.870 -0.032 0.000 1.145 189 L CA 0.545 55.368 54.840 -0.028 0.000 0.834 189 L CB -0.206 41.846 42.059 -0.012 0.000 0.944 189 L HN -0.083 nan 8.230 nan 0.000 0.451 190 E N -0.405 119.764 120.200 -0.051 0.000 2.204 190 E HA -0.126 4.222 4.350 -0.004 0.000 0.194 190 E C 1.065 177.463 176.600 -0.336 0.000 0.989 190 E CA 0.905 57.185 56.400 -0.199 0.000 0.824 190 E CB 0.199 29.728 29.700 -0.285 0.000 0.756 190 E HN 0.420 nan 8.360 nan 0.000 0.477 191 H N -0.852 118.239 119.070 0.036 0.000 2.481 191 H HA 0.254 4.807 4.556 -0.004 0.000 0.273 191 H C -0.735 174.622 175.328 0.050 0.000 1.145 191 H CA -0.290 55.786 56.048 0.048 0.000 0.964 191 H CB 0.069 29.850 29.762 0.032 0.000 1.722 191 H HN -0.085 nan 8.280 nan 0.000 0.573 192 V N 2.735 122.683 119.914 0.057 0.000 2.546 192 V HA 0.114 4.232 4.120 -0.004 0.000 0.284 192 V C 0.846 177.052 176.094 0.186 0.000 1.050 192 V CA -0.226 62.040 62.300 -0.057 0.000 0.981 192 V CB 1.612 33.019 31.823 -0.693 0.000 0.990 192 V HN 0.520 nan 8.190 nan 0.000 0.474 193 T N 3.065 117.734 114.554 0.190 0.000 2.945 193 T HA 0.431 4.778 4.350 -0.004 0.000 0.286 193 T C -1.917 172.922 174.700 0.231 0.000 1.025 193 T CA -2.102 60.102 62.100 0.174 0.000 1.039 193 T CB 1.771 70.689 68.868 0.084 0.000 1.068 193 T HN 0.361 nan 8.240 nan 0.000 0.497 194 P HA -0.236 nan 4.420 nan 0.000 0.218 194 P C 1.601 178.960 177.300 0.099 0.000 1.154 194 P CA 1.425 64.504 63.100 -0.035 0.000 0.872 194 P CB 0.096 31.645 31.700 -0.251 0.000 0.790 195 E N -0.307 119.923 120.200 0.049 0.000 2.299 195 E HA -0.155 4.192 4.350 -0.004 0.000 0.193 195 E C 1.799 178.419 176.600 0.033 0.000 0.998 195 E CA 0.858 57.276 56.400 0.031 0.000 0.851 195 E CB -0.711 28.993 29.700 0.006 0.000 0.795 195 E HN 0.343 nan 8.360 nan 0.000 0.492 196 Q N 0.681 120.540 119.800 0.099 0.000 2.046 196 Q HA -0.049 4.289 4.340 -0.004 0.000 0.200 196 Q C 2.294 178.332 176.000 0.063 0.000 0.975 196 Q CA 1.849 57.727 55.803 0.127 0.000 0.836 196 Q CB -0.176 28.717 28.738 0.258 0.000 0.896 196 Q HN 0.445 nan 8.270 nan 0.000 0.428 197 A N 0.620 123.570 122.820 0.217 0.000 1.902 197 A HA -0.066 4.251 4.320 -0.004 0.000 0.217 197 A C 1.734 179.276 177.584 -0.069 0.000 1.181 197 A CA 1.455 53.551 52.037 0.099 0.000 0.623 197 A CB -0.654 18.579 19.000 0.387 0.000 0.818 197 A HN 0.400 nan 8.150 nan 0.000 0.443 198 G N -1.054 107.745 108.800 -0.001 0.000 3.717 198 G HA2 0.481 4.438 3.960 -0.004 0.000 0.258 198 G HA3 0.481 4.438 3.960 -0.004 0.000 0.258 198 G C 0.646 175.470 174.900 -0.127 0.000 1.088 198 G CA 0.659 45.734 45.100 -0.041 0.000 1.737 198 G HN 0.607 nan 8.290 nan 0.000 0.648 199 A N 0.906 123.583 122.820 -0.239 0.000 2.353 199 A HA 0.266 4.584 4.320 -0.004 0.000 0.218 199 A C 0.828 178.134 177.584 -0.463 0.000 1.760 199 A CA 0.300 52.081 52.037 -0.426 0.000 0.638 199 A CB 0.053 18.735 19.000 -0.531 0.000 1.280 199 A HN 0.425 nan 8.150 nan 0.000 0.511 200 H N 1.018 120.014 119.070 -0.123 0.000 2.572 200 H HA 0.374 4.928 4.556 -0.004 0.000 0.248 200 H C -2.429 172.815 175.328 -0.140 0.000 1.397 200 H CA -1.976 54.003 56.048 -0.115 0.000 1.319 200 H CB -0.496 29.197 29.762 -0.116 0.000 1.452 200 H HN 0.384 nan 8.280 nan 0.000 0.535 201 P HA 0.133 nan 4.420 nan 0.000 0.280 201 P C 0.840 178.047 177.300 -0.156 0.000 1.244 201 P CA -0.356 62.697 63.100 -0.078 0.000 0.784 201 P CB 1.691 33.376 31.700 -0.025 0.000 0.913 202 T N 0.619 114.989 114.554 -0.306 0.000 2.746 202 T HA -0.066 4.282 4.350 -0.004 0.000 0.267 202 T C 0.388 174.663 174.700 -0.709 0.000 1.039 202 T CA 1.305 63.020 62.100 -0.641 0.000 1.142 202 T CB -0.299 67.963 68.868 -1.010 0.000 0.866 202 T HN 0.503 nan 8.240 nan 0.000 0.444 203 W N 0.194 121.479 121.300 -0.024 0.000 2.671 203 W HA 0.636 5.293 4.660 -0.004 0.000 0.360 203 W C -0.218 176.289 176.519 -0.021 0.000 1.128 203 W CA -0.984 56.346 57.345 -0.025 0.000 1.184 203 W CB 0.956 30.397 29.460 -0.031 0.000 1.415 203 W HN -0.339 nan 8.180 nan 0.000 0.604 204 S N 1.552 117.389 115.700 0.228 0.000 2.080 204 S HA 0.312 4.780 4.470 -0.004 0.000 0.162 204 S C -0.034 174.620 174.600 0.090 0.000 1.618 204 S CA -0.528 57.741 58.200 0.115 0.000 1.200 204 S CB -0.306 62.938 63.200 0.073 0.000 1.135 204 S HN 0.453 nan 8.310 nan 0.000 0.455 205 M N 1.552 121.208 119.600 0.093 0.000 2.504 205 M HA 0.338 4.815 4.480 -0.004 0.000 0.370 205 M C 0.647 176.973 176.300 0.042 0.000 1.110 205 M CA -0.202 55.129 55.300 0.051 0.000 0.938 205 M CB 0.993 33.613 32.600 0.034 0.000 1.460 205 M HN 0.664 nan 8.290 nan 0.000 0.535 206 G N 0.810 109.640 108.800 0.049 0.000 2.555 206 G HA2 -0.117 3.841 3.960 -0.004 0.000 0.686 206 G HA3 -0.117 3.841 3.960 -0.004 0.000 0.686 206 G C -2.859 172.072 174.900 0.052 0.000 1.275 206 G CA -1.233 43.895 45.100 0.046 0.000 0.871 206 G HN 0.064 nan 8.290 nan 0.000 0.603 207 P HA -0.083 nan 4.420 nan 0.000 0.215 207 P C 2.409 179.755 177.300 0.077 0.000 1.157 207 P CA 1.907 65.043 63.100 0.061 0.000 0.868 207 P CB 0.036 31.768 31.700 0.054 0.000 0.788 208 M N -0.954 118.687 119.600 0.069 0.000 2.108 208 M HA -0.182 4.296 4.480 -0.004 0.000 0.261 208 M C 2.048 178.390 176.300 0.069 0.000 1.066 208 M CA 1.592 56.934 55.300 0.071 0.000 1.107 208 M CB -1.827 30.803 32.600 0.050 0.000 1.356 208 M HN 0.091 nan 8.290 nan 0.000 0.406 209 N N -0.442 118.295 118.700 0.061 0.000 2.142 209 N HA -0.123 4.615 4.740 -0.004 0.000 0.186 209 N C 1.341 176.902 175.510 0.085 0.000 1.023 209 N CA 1.839 54.928 53.050 0.065 0.000 0.852 209 N CB 0.197 38.718 38.487 0.058 0.000 0.998 209 N HN 0.310 nan 8.380 nan 0.000 0.424 210 T N 1.756 116.360 114.554 0.082 0.000 2.821 210 T HA -0.114 4.234 4.350 -0.004 0.000 0.267 210 T C 1.863 176.607 174.700 0.072 0.000 1.046 210 T CA 0.478 62.619 62.100 0.068 0.000 1.139 210 T CB -0.220 68.672 68.868 0.041 0.000 0.871 210 T HN 0.130 nan 8.240 nan 0.000 0.454 211 L N 2.213 123.501 121.223 0.108 0.000 2.046 211 L HA -0.030 4.307 4.340 -0.004 0.000 0.208 211 L C 1.816 178.765 176.870 0.131 0.000 1.077 211 L CA 1.717 56.653 54.840 0.161 0.000 0.747 211 L CB -0.894 41.285 42.059 0.200 0.000 0.896 211 L HN 0.098 nan 8.230 nan 0.000 0.432 212 N N -0.921 117.833 118.700 0.090 0.000 2.309 212 N HA -0.107 4.631 4.740 -0.004 0.000 0.182 212 N C 1.880 177.436 175.510 0.076 0.000 1.018 212 N CA 1.260 54.351 53.050 0.068 0.000 0.876 212 N CB -0.206 38.314 38.487 0.055 0.000 0.972 212 N HN 0.336 nan 8.380 nan 0.000 0.434 213 S N 0.226 115.971 115.700 0.076 0.000 2.406 213 S HA 0.087 4.555 4.470 -0.004 0.000 0.228 213 S C 1.950 176.562 174.600 0.021 0.000 1.020 213 S CA 0.766 58.998 58.200 0.054 0.000 0.965 213 S CB 0.027 63.264 63.200 0.061 0.000 0.798 213 S HN 0.479 nan 8.310 nan 0.000 0.488 214 A N 1.402 124.257 122.820 0.059 0.000 1.930 214 A HA -0.001 4.317 4.320 -0.004 0.000 0.215 214 A C 2.185 180.006 177.584 0.394 0.000 1.176 214 A CA 1.536 53.630 52.037 0.094 0.000 0.632 214 A CB -0.582 18.457 19.000 0.065 0.000 0.819 214 A HN 0.570 nan 8.150 nan 0.000 0.445 215 S N -1.624 114.279 115.700 0.338 0.000 2.558 215 S HA 0.240 4.707 4.470 -0.004 0.000 0.217 215 S C 0.770 175.469 174.600 0.164 0.000 0.975 215 S CA 0.680 59.002 58.200 0.203 0.000 0.912 215 S CB -0.261 62.861 63.200 -0.131 0.000 0.776 215 S HN 0.664 nan 8.310 nan 0.000 0.526 216 L N -0.564 120.728 121.223 0.114 0.000 4.884 216 L HA -0.208 4.130 4.340 -0.004 0.000 0.430 216 L C 1.413 178.345 176.870 0.104 0.000 1.087 216 L CA 0.590 55.475 54.840 0.075 0.000 1.033 216 L CB -2.010 40.081 42.059 0.053 0.000 2.030 216 L HN 0.264 nan 8.230 nan 0.000 0.762 217 V N -0.695 119.276 119.914 0.093 0.000 2.490 217 V HA -0.275 3.843 4.120 -0.004 0.000 0.250 217 V C 2.201 178.386 176.094 0.151 0.000 1.061 217 V CA 2.388 64.766 62.300 0.130 0.000 1.064 217 V CB -0.429 31.405 31.823 0.017 0.000 0.670 217 V HN 0.700 nan 8.190 nan 0.000 0.461 218 N N 0.516 119.276 118.700 0.100 0.000 2.104 218 N HA -0.215 4.523 4.740 -0.004 0.000 0.190 218 N C 1.741 177.304 175.510 0.087 0.000 1.024 218 N CA 1.522 54.624 53.050 0.087 0.000 0.853 218 N CB -0.177 38.353 38.487 0.071 0.000 1.008 218 N HN 0.219 nan 8.380 nan 0.000 0.424 219 K N -0.081 120.369 120.400 0.082 0.000 2.097 219 K HA 0.104 4.421 4.320 -0.004 0.000 0.205 219 K C 1.866 178.521 176.600 0.091 0.000 1.050 219 K CA 1.313 57.644 56.287 0.073 0.000 0.938 219 K CB -1.031 31.504 32.500 0.058 0.000 0.718 219 K HN 0.291 nan 8.250 nan 0.000 0.442 220 G N 0.730 109.601 108.800 0.118 0.000 2.446 220 G HA2 -0.237 3.720 3.960 -0.004 0.000 0.217 220 G HA3 -0.237 3.720 3.960 -0.004 0.000 0.217 220 G C 1.490 176.420 174.900 0.050 0.000 1.168 220 G CA 1.103 46.257 45.100 0.091 0.000 0.771 220 G HN 0.295 nan 8.290 nan 0.000 0.551 221 L N 0.091 121.397 121.223 0.137 0.000 2.083 221 L HA -0.060 4.278 4.340 -0.004 0.000 0.209 221 L C 2.850 179.797 176.870 0.128 0.000 1.083 221 L CA 1.285 56.199 54.840 0.123 0.000 0.752 221 L CB -0.437 41.715 42.059 0.155 0.000 0.899 221 L HN 0.286 nan 8.230 nan 0.000 0.433 222 E N -0.346 119.936 120.200 0.138 0.000 2.106 222 E HA -0.165 4.183 4.350 -0.004 0.000 0.192 222 E C 2.319 179.082 176.600 0.272 0.000 0.984 222 E CA 1.029 57.556 56.400 0.212 0.000 0.806 222 E CB -0.030 29.689 29.700 0.031 0.000 0.750 222 E HN 0.258 nan 8.360 nan 0.000 0.458 223 V N 1.427 121.444 119.914 0.173 0.000 2.295 223 V HA -0.276 3.842 4.120 -0.004 0.000 0.246 223 V C 2.222 178.450 176.094 0.223 0.000 1.049 223 V CA 1.601 64.012 62.300 0.184 0.000 1.024 223 V CB -0.365 31.555 31.823 0.161 0.000 0.648 223 V HN 0.258 nan 8.190 nan 0.000 0.447 224 I N -0.159 120.541 120.570 0.217 0.000 2.163 224 I HA -0.285 3.883 4.170 -0.004 0.000 0.243 224 I C 2.535 178.729 176.117 0.128 0.000 1.085 224 I CA 1.847 63.293 61.300 0.243 0.000 1.347 224 I CB -0.424 37.634 38.000 0.097 0.000 1.044 224 I HN 0.382 nan 8.210 nan 0.000 0.408 225 E N -0.019 120.225 120.200 0.072 0.000 2.150 225 E HA -0.168 4.180 4.350 -0.004 0.000 0.193 225 E C 2.134 178.613 176.600 -0.201 0.000 0.985 225 E CA 1.646 57.986 56.400 -0.099 0.000 0.814 225 E CB -0.126 29.478 29.700 -0.159 0.000 0.752 225 E HN 0.481 nan 8.360 nan 0.000 0.466 226 T N -0.031 114.538 114.554 0.025 0.000 2.708 226 T HA -0.209 4.139 4.350 -0.004 0.000 0.266 226 T C 1.700 176.429 174.700 0.050 0.000 1.037 226 T CA 1.724 63.917 62.100 0.155 0.000 1.146 226 T CB -0.386 68.647 68.868 0.275 0.000 0.865 226 T HN 0.314 nan 8.240 nan 0.000 0.435 227 H N 0.991 119.949 119.070 -0.186 0.000 2.352 227 H HA 0.020 4.574 4.556 -0.004 0.000 0.299 227 H C 1.967 177.154 175.328 -0.236 0.000 1.097 227 H CA 1.474 57.309 56.048 -0.355 0.000 1.311 227 H CB -0.494 28.750 29.762 -0.863 0.000 1.377 227 H HN 0.270 nan 8.280 nan 0.000 0.504 228 L N -0.682 120.371 121.223 -0.282 0.000 2.095 228 L HA -0.079 4.259 4.340 -0.004 0.000 0.204 228 L C 2.540 179.187 176.870 -0.373 0.000 1.080 228 L CA 0.721 55.373 54.840 -0.314 0.000 0.759 228 L CB -0.284 41.675 42.059 -0.167 0.000 0.914 228 L HN 0.276 nan 8.230 nan 0.000 0.439 229 L N -1.286 119.650 121.223 -0.479 0.000 2.056 229 L HA -0.155 4.182 4.340 -0.004 0.000 0.207 229 L C 1.779 178.185 176.870 -0.774 0.000 1.078 229 L CA 1.540 55.925 54.840 -0.758 0.000 0.749 229 L CB -0.165 41.155 42.059 -1.232 0.000 0.901 229 L HN 0.172 nan 8.230 nan 0.000 0.433 230 F N -1.238 118.588 119.950 -0.207 0.000 2.678 230 F HA 0.316 4.840 4.527 -0.004 0.000 0.305 230 F C 1.582 177.278 175.800 -0.172 0.000 1.090 230 F CA 0.199 58.103 58.000 -0.160 0.000 1.272 230 F CB 0.254 39.182 39.000 -0.121 0.000 1.060 230 F HN 0.070 nan 8.300 nan 0.000 0.576 231 G N 1.886 110.598 108.800 -0.148 0.000 2.283 231 G HA2 -0.280 3.678 3.960 -0.004 0.000 0.280 231 G HA3 -0.280 3.678 3.960 -0.004 0.000 0.280 231 G C -0.016 174.810 174.900 -0.123 0.000 1.029 231 G CA -0.087 44.886 45.100 -0.212 0.000 0.840 231 G HN 0.185 nan 8.290 nan 0.000 0.505 232 I N 0.434 120.958 120.570 -0.077 0.000 2.359 232 I HA 0.337 4.504 4.170 -0.004 0.000 0.294 232 I C -1.805 174.352 176.117 0.067 0.000 0.987 232 I CA -3.206 58.089 61.300 -0.008 0.000 1.225 232 I CB 1.175 39.171 38.000 -0.006 0.000 1.366 232 I HN -0.154 nan 8.210 nan 0.000 0.466 233 P HA 0.077 nan 4.420 nan 0.000 0.269 233 P C 0.421 177.719 177.300 -0.003 0.000 1.215 233 P CA 0.110 63.264 63.100 0.090 0.000 0.780 233 P CB 0.417 32.161 31.700 0.073 0.000 0.898 234 Y N 1.032 121.305 120.300 -0.044 0.000 2.256 234 Y HA -0.240 4.308 4.550 -0.003 0.000 0.288 234 Y C 2.085 177.970 175.900 -0.025 0.000 1.155 234 Y CA 1.799 59.858 58.100 -0.070 0.000 1.203 234 Y CB -0.627 37.736 38.460 -0.162 0.000 0.980 234 Y HN 0.427 nan 8.280 nan 0.000 0.530 235 D N -0.174 120.299 120.400 0.121 0.000 2.363 235 D HA -0.101 4.536 4.640 -0.004 0.000 0.226 235 D C 1.146 177.471 176.300 0.042 0.000 1.020 235 D CA 0.657 54.700 54.000 0.072 0.000 0.892 235 D CB -0.319 40.513 40.800 0.053 0.000 0.900 235 D HN 0.289 nan 8.370 nan 0.000 0.531 236 R N -0.132 120.387 120.500 0.032 0.000 2.509 236 R HA 0.367 4.704 4.340 -0.004 0.000 0.300 236 R C -0.001 176.295 176.300 -0.007 0.000 0.985 236 R CA -0.230 55.872 56.100 0.003 0.000 1.092 236 R CB 0.821 31.116 30.300 -0.009 0.000 1.237 236 R HN 0.196 nan 8.270 nan 0.000 0.546 237 I N 1.681 122.263 120.570 0.019 0.000 2.359 237 I HA 0.202 4.369 4.170 -0.004 0.000 0.284 237 I C -0.679 175.461 176.117 0.039 0.000 1.018 237 I CA -0.693 60.621 61.300 0.023 0.000 1.173 237 I CB 1.376 39.400 38.000 0.040 0.000 1.326 237 I HN -0.179 nan 8.210 nan 0.000 0.462 238 D N 5.405 125.815 120.400 0.016 0.000 2.277 238 D HA 0.527 5.165 4.640 -0.004 0.000 0.250 238 D C -0.434 175.885 176.300 0.033 0.000 1.032 238 D CA -0.245 53.768 54.000 0.022 0.000 0.947 238 D CB 2.536 43.337 40.800 0.001 0.000 1.159 238 D HN 0.040 nan 8.370 nan 0.000 0.460 239 V N 1.254 121.194 119.914 0.043 0.000 2.540 239 V HA 0.443 4.561 4.120 -0.004 0.000 0.302 239 V C -0.314 175.815 176.094 0.058 0.000 1.035 239 V CA -0.822 61.509 62.300 0.051 0.000 0.873 239 V CB 2.076 33.933 31.823 0.056 0.000 0.992 239 V HN 0.287 nan 8.190 nan 0.000 0.428 240 V N 5.770 125.728 119.914 0.073 0.000 2.769 240 V HA 0.621 4.738 4.120 -0.004 0.000 0.312 240 V C -0.415 175.757 176.094 0.129 0.000 1.061 240 V CA -0.426 61.940 62.300 0.109 0.000 0.931 240 V CB 2.488 34.394 31.823 0.138 0.000 1.010 240 V HN 0.635 nan 8.190 nan 0.000 0.433 241 V N 5.828 125.816 119.914 0.123 0.000 2.530 241 V HA 0.361 4.479 4.120 -0.004 0.000 0.282 241 V C -0.423 175.756 176.094 0.143 0.000 1.048 241 V CA -0.175 62.178 62.300 0.088 0.000 0.997 241 V CB 0.966 32.807 31.823 0.030 0.000 0.987 241 V HN 1.003 nan 8.190 nan 0.000 0.477 242 H N 6.860 125.904 119.070 -0.043 0.000 3.108 242 H HA 0.421 4.975 4.556 -0.003 0.000 0.301 242 H C -2.501 172.726 175.328 -0.169 0.000 1.139 242 H CA -1.762 54.193 56.048 -0.155 0.000 1.552 242 H CB 2.211 31.870 29.762 -0.172 0.000 1.663 242 H HN 0.303 nan 8.280 nan 0.000 0.517 243 P HA -0.142 nan 4.420 nan 0.000 0.218 243 P C 0.989 178.010 177.300 -0.465 0.000 1.148 243 P CA 1.080 63.977 63.100 -0.339 0.000 0.822 243 P CB 0.466 32.038 31.700 -0.213 0.000 0.784 244 Q N -1.103 118.257 119.800 -0.733 0.000 2.369 244 Q HA 0.055 4.393 4.340 -0.004 0.000 0.206 244 Q C 0.845 176.525 176.000 -0.533 0.000 0.963 244 Q CA 0.637 56.106 55.803 -0.557 0.000 0.894 244 Q CB -0.866 27.632 28.738 -0.399 0.000 0.965 244 Q HN 0.001 nan 8.270 nan 0.000 0.475 245 S N -0.780 114.514 115.700 -0.677 0.000 3.581 245 S HA -0.203 4.265 4.470 -0.004 0.000 0.354 245 S C 0.685 175.111 174.600 -0.289 0.000 1.059 245 S CA 0.641 58.659 58.200 -0.303 0.000 1.060 245 S CB -1.663 61.379 63.200 -0.264 0.000 0.908 245 S HN 0.427 nan 8.310 nan 0.000 0.475 246 I N -0.399 119.986 120.570 -0.309 0.000 2.729 246 I HA 0.177 4.345 4.170 -0.004 0.000 0.256 246 I C 1.002 176.606 176.117 -0.854 0.000 1.115 246 I CA 0.506 61.504 61.300 -0.505 0.000 1.446 246 I CB 0.098 37.780 38.000 -0.529 0.000 1.176 246 I HN 0.294 nan 8.210 nan 0.000 0.446 247 I N 2.000 122.103 120.570 -0.778 0.000 2.452 247 I HA -0.043 4.125 4.170 -0.004 0.000 0.287 247 I C 1.110 176.927 176.117 -0.500 0.000 1.079 247 I CA 0.200 61.072 61.300 -0.714 0.000 1.387 247 I CB 0.544 38.128 38.000 -0.694 0.000 1.404 247 I HN 0.245 nan 8.210 nan 0.000 0.522 248 H N 3.687 122.721 119.070 -0.060 0.000 2.592 248 H HA 0.372 4.925 4.556 -0.004 0.000 0.265 248 H C 0.160 175.488 175.328 -0.001 0.000 0.955 248 H CA 0.074 56.132 56.048 0.017 0.000 1.175 248 H CB 0.858 30.652 29.762 0.052 0.000 1.433 248 H HN 0.592 nan 8.280 nan 0.000 0.537 249 S N -0.509 115.217 115.700 0.043 0.000 2.718 249 S HA 0.366 4.834 4.470 -0.004 0.000 0.271 249 S C -1.284 173.301 174.600 -0.025 0.000 0.999 249 S CA -0.784 57.419 58.200 0.006 0.000 0.899 249 S CB 1.401 64.604 63.200 0.006 0.000 1.148 249 S HN 0.093 nan 8.310 nan 0.000 0.463 250 M N 1.294 120.861 119.600 -0.054 0.000 2.575 250 M HA 0.669 5.147 4.480 -0.004 0.000 0.284 250 M C -1.604 174.616 176.300 -0.133 0.000 1.253 250 M CA -0.807 54.450 55.300 -0.072 0.000 0.861 250 M CB 2.238 34.792 32.600 -0.077 0.000 1.733 250 M HN 0.351 nan 8.290 nan 0.000 0.462 251 V N 0.730 120.542 119.914 -0.171 0.000 2.531 251 V HA 0.507 4.624 4.120 -0.004 0.000 0.301 251 V C -0.576 175.277 176.094 -0.401 0.000 1.034 251 V CA -0.550 61.531 62.300 -0.365 0.000 0.865 251 V CB 2.163 33.653 31.823 -0.556 0.000 0.995 251 V HN 0.894 nan 8.190 nan 0.000 0.424 252 T N 5.625 119.948 114.554 -0.385 0.000 2.795 252 T HA 0.659 5.007 4.350 -0.004 0.000 0.282 252 T C -0.490 173.990 174.700 -0.368 0.000 0.980 252 T CA 0.016 61.965 62.100 -0.252 0.000 1.012 252 T CB 0.555 69.346 68.868 -0.128 0.000 0.936 252 T HN 0.283 nan 8.240 nan 0.000 0.457 253 F N 1.540 121.475 119.950 -0.026 0.000 2.457 253 F HA 0.429 4.956 4.527 -0.000 0.000 0.330 253 F C 1.889 177.680 175.800 -0.016 0.000 1.069 253 F CA -1.273 56.715 58.000 -0.020 0.000 1.009 253 F CB 0.683 39.673 39.000 -0.017 0.000 1.276 253 F HN 0.545 nan 8.300 nan 0.000 0.492 254 I N -1.527 119.161 120.570 0.196 0.000 2.614 254 I HA -0.148 4.020 4.170 -0.004 0.000 0.258 254 I C 1.335 177.498 176.117 0.077 0.000 1.189 254 I CA 1.219 62.577 61.300 0.097 0.000 1.462 254 I CB -0.574 37.473 38.000 0.078 0.000 1.092 254 I HN 0.548 nan 8.210 nan 0.000 0.442 255 D N 1.179 121.634 120.400 0.092 0.000 2.355 255 D HA 0.096 4.733 4.640 -0.004 0.000 0.218 255 D C 1.745 178.074 176.300 0.048 0.000 1.004 255 D CA 0.895 54.927 54.000 0.053 0.000 0.880 255 D CB 0.063 40.881 40.800 0.030 0.000 0.911 255 D HN 0.528 nan 8.370 nan 0.000 0.528 256 G N -0.499 108.341 108.800 0.067 0.000 2.201 256 G HA2 -0.237 3.721 3.960 -0.004 0.000 0.212 256 G HA3 -0.237 3.721 3.960 -0.004 0.000 0.212 256 G C 0.278 175.215 174.900 0.062 0.000 0.994 256 G CA 0.172 45.300 45.100 0.048 0.000 0.644 256 G HN 0.560 nan 8.290 nan 0.000 0.508 257 S N 0.710 116.471 115.700 0.102 0.000 2.548 257 S HA 0.603 5.070 4.470 -0.004 0.000 0.277 257 S C 0.384 175.098 174.600 0.190 0.000 1.315 257 S CA 0.958 59.228 58.200 0.118 0.000 1.050 257 S CB 0.787 64.042 63.200 0.091 0.000 0.918 257 S HN 0.452 nan 8.310 nan 0.000 0.497 258 T N 5.808 120.435 114.554 0.121 0.000 2.797 258 T HA 0.523 4.871 4.350 -0.004 0.000 0.279 258 T C -0.689 174.090 174.700 0.132 0.000 0.991 258 T CA -0.542 61.618 62.100 0.100 0.000 0.979 258 T CB 0.635 69.502 68.868 -0.002 0.000 0.943 258 T HN 0.449 nan 8.240 nan 0.000 0.444 259 I N 2.814 123.491 120.570 0.178 0.000 2.404 259 I HA 0.697 4.865 4.170 -0.004 0.000 0.293 259 I C 0.160 176.331 176.117 0.090 0.000 0.992 259 I CA -1.019 60.381 61.300 0.166 0.000 1.149 259 I CB 1.140 39.304 38.000 0.273 0.000 1.315 259 I HN 0.708 nan 8.210 nan 0.000 0.446 260 A N 6.396 129.265 122.820 0.080 0.000 2.401 260 A HA 0.659 4.977 4.320 -0.004 0.000 0.310 260 A C -0.732 176.890 177.584 0.064 0.000 1.075 260 A CA -0.584 51.482 52.037 0.048 0.000 0.746 260 A CB 2.251 21.279 19.000 0.046 0.000 1.277 260 A HN 0.652 nan 8.150 nan 0.000 0.425 261 Q N 0.820 120.646 119.800 0.043 0.000 2.282 261 Q HA 0.692 5.030 4.340 -0.004 0.000 0.260 261 Q C -1.100 174.907 176.000 0.012 0.000 0.964 261 Q CA -0.431 55.416 55.803 0.074 0.000 0.880 261 Q CB 1.860 30.668 28.738 0.117 0.000 1.286 261 Q HN 1.102 nan 8.270 nan 0.000 0.445 262 A N 2.483 125.322 122.820 0.032 0.000 2.455 262 A HA 0.792 5.110 4.320 -0.004 0.000 0.300 262 A C -1.279 176.342 177.584 0.061 0.000 1.040 262 A CA -0.241 51.731 52.037 -0.108 0.000 0.697 262 A CB 1.514 20.370 19.000 -0.239 0.000 1.265 262 A HN 0.832 nan 8.150 nan 0.000 0.407 263 S N 0.912 116.650 115.700 0.064 0.000 2.558 263 S HA 0.707 5.174 4.470 -0.004 0.000 0.277 263 S C -3.462 171.245 174.600 0.179 0.000 1.143 263 S CA -1.218 57.079 58.200 0.160 0.000 0.865 263 S CB 1.167 64.497 63.200 0.218 0.000 1.102 263 S HN 0.355 nan 8.310 nan 0.000 0.454 264 P HA 0.263 nan 4.420 nan 0.000 0.264 264 P C -2.545 174.828 177.300 0.123 0.000 1.183 264 P CA -0.492 62.644 63.100 0.060 0.000 0.763 264 P CB -0.626 31.088 31.700 0.024 0.000 0.807 265 P HA 0.028 nan 4.420 nan 0.000 0.260 265 P C -0.638 176.744 177.300 0.138 0.000 1.185 265 P CA 1.107 64.250 63.100 0.070 0.000 0.763 265 P CB 0.162 31.649 31.700 -0.354 0.000 0.776 266 D N 3.945 124.500 120.400 0.259 0.000 2.484 266 D HA 0.071 4.709 4.640 -0.004 0.000 0.206 266 D C 0.635 177.022 176.300 0.144 0.000 1.322 266 D CA -0.325 53.785 54.000 0.184 0.000 0.913 266 D CB 0.795 41.655 40.800 0.100 0.000 1.559 266 D HN -0.031 nan 8.370 nan 0.000 0.565 267 M N 2.402 122.077 119.600 0.125 0.000 2.549 267 M HA -0.015 4.462 4.480 -0.004 0.000 0.260 267 M C 1.529 177.812 176.300 -0.029 0.000 1.076 267 M CA 0.896 56.179 55.300 -0.028 0.000 1.090 267 M CB -0.443 32.102 32.600 -0.092 0.000 1.418 267 M HN 0.407 nan 8.290 nan 0.000 0.486 268 K N -0.106 120.299 120.400 0.009 0.000 2.209 268 K HA -0.167 4.151 4.320 -0.004 0.000 0.204 268 K C 1.866 178.473 176.600 0.012 0.000 1.048 268 K CA 0.817 57.106 56.287 0.004 0.000 0.940 268 K CB -0.229 32.283 32.500 0.021 0.000 0.729 268 K HN 0.175 nan 8.250 nan 0.000 0.451 269 L N 2.004 123.240 121.223 0.022 0.000 1.973 269 L HA -0.086 4.251 4.340 -0.004 0.000 0.208 269 L C -1.260 175.628 176.870 0.030 0.000 1.073 269 L CA 1.771 56.633 54.840 0.037 0.000 0.746 269 L CB -1.040 41.048 42.059 0.049 0.000 0.891 269 L HN 0.023 nan 8.230 nan 0.000 0.433 270 P HA -0.159 nan 4.420 nan 0.000 0.218 270 P C 2.157 179.449 177.300 -0.014 0.000 1.149 270 P CA 1.737 64.831 63.100 -0.009 0.000 0.817 270 P CB -0.067 31.584 31.700 -0.082 0.000 0.785 271 I N 0.999 121.541 120.570 -0.047 0.000 2.163 271 I HA -0.276 3.891 4.170 -0.004 0.000 0.243 271 I C 2.785 178.867 176.117 -0.059 0.000 1.085 271 I CA 2.239 63.497 61.300 -0.069 0.000 1.347 271 I CB -0.865 37.083 38.000 -0.088 0.000 1.044 271 I HN 0.079 nan 8.210 nan 0.000 0.408 272 S N 0.901 116.590 115.700 -0.018 0.000 2.368 272 S HA -0.190 4.278 4.470 -0.004 0.000 0.225 272 S C 2.011 176.679 174.600 0.113 0.000 1.030 272 S CA 0.966 59.178 58.200 0.020 0.000 0.999 272 S CB -0.782 62.468 63.200 0.083 0.000 0.844 272 S HN 0.337 nan 8.310 nan 0.000 0.459 273 L N 1.997 123.303 121.223 0.139 0.000 2.093 273 L HA 0.243 4.580 4.340 -0.004 0.000 0.208 273 L C 2.710 179.773 176.870 0.322 0.000 1.085 273 L CA 1.548 56.536 54.840 0.247 0.000 0.755 273 L CB -1.246 40.980 42.059 0.278 0.000 0.904 273 L HN 0.392 nan 8.230 nan 0.000 0.435 274 A N -0.752 122.171 122.820 0.171 0.000 1.898 274 A HA -0.128 4.190 4.320 -0.004 0.000 0.216 274 A C 2.234 179.878 177.584 0.099 0.000 1.181 274 A CA 1.717 53.814 52.037 0.101 0.000 0.620 274 A CB -0.746 18.245 19.000 -0.016 0.000 0.819 274 A HN 0.464 nan 8.150 nan 0.000 0.442 275 L N -1.029 120.206 121.223 0.019 0.000 2.046 275 L HA -0.106 4.232 4.340 -0.004 0.000 0.208 275 L C 2.531 179.569 176.870 0.280 0.000 1.077 275 L CA 1.282 56.099 54.840 -0.038 0.000 0.747 275 L CB -0.549 41.174 42.059 -0.560 0.000 0.896 275 L HN 0.507 nan 8.230 nan 0.000 0.432 276 G N -2.186 106.849 108.800 0.391 0.000 3.088 276 G HA2 -0.116 3.842 3.960 -0.004 0.000 0.217 276 G HA3 -0.116 3.842 3.960 -0.004 0.000 0.217 276 G C 0.411 175.475 174.900 0.275 0.000 1.159 276 G CA -0.538 44.821 45.100 0.430 0.000 0.760 276 G HN 0.205 nan 8.290 nan 0.000 0.550 277 W N 2.588 123.953 121.300 0.108 0.000 2.484 277 W HA 0.023 4.680 4.660 -0.005 0.000 0.337 277 W C -1.487 175.067 176.519 0.058 0.000 1.214 277 W CA -0.768 56.620 57.345 0.071 0.000 1.296 277 W CB 0.969 30.461 29.460 0.053 0.000 1.174 277 W HN 0.117 nan 8.180 nan 0.000 0.564 278 P HA 0.062 nan 4.420 nan 0.000 0.255 278 P C -0.053 176.935 177.300 -0.520 0.000 1.248 278 P CA 0.544 63.068 63.100 -0.961 0.000 0.807 278 P CB 0.167 31.424 31.700 -0.738 0.000 1.150 279 R N 1.141 121.515 120.500 -0.209 0.000 2.234 279 R HA 0.300 4.637 4.340 -0.004 0.000 0.324 279 R C 0.655 176.926 176.300 -0.048 0.000 1.054 279 R CA -0.454 55.575 56.100 -0.119 0.000 0.912 279 R CB 0.981 31.242 30.300 -0.066 0.000 1.030 279 R HN 0.110 nan 8.270 nan 0.000 0.455 280 R N 1.305 121.773 120.500 -0.053 0.000 2.738 280 R HA 0.144 4.482 4.340 -0.004 0.000 0.268 280 R C -0.318 176.006 176.300 0.040 0.000 1.062 280 R CA -0.202 55.903 56.100 0.007 0.000 1.158 280 R CB 0.672 30.970 30.300 -0.003 0.000 1.046 280 R HN 0.243 nan 8.270 nan 0.000 0.493 281 V N 1.883 121.845 119.914 0.080 0.000 2.313 281 V HA 0.054 4.172 4.120 -0.004 0.000 0.278 281 V C 0.360 176.497 176.094 0.072 0.000 1.017 281 V CA -0.418 61.940 62.300 0.097 0.000 0.823 281 V CB 1.371 33.308 31.823 0.190 0.000 1.010 281 V HN 0.774 nan 8.190 nan 0.000 0.443 282 S N 4.048 119.775 115.700 0.046 0.000 2.563 282 S HA 0.347 4.815 4.470 -0.004 0.000 0.294 282 S C 1.400 176.030 174.600 0.049 0.000 1.279 282 S CA 1.070 59.294 58.200 0.040 0.000 1.069 282 S CB 0.137 63.352 63.200 0.025 0.000 0.828 282 S HN 1.861 nan 8.310 nan 0.000 0.497 283 G N 3.143 111.971 108.800 0.048 0.000 2.148 283 G HA2 -0.271 3.686 3.960 -0.004 0.000 0.254 283 G HA3 -0.271 3.686 3.960 -0.004 0.000 0.254 283 G C 0.951 175.883 174.900 0.053 0.000 0.981 283 G CA 0.500 45.629 45.100 0.047 0.000 0.670 283 G HN 1.294 nan 8.290 nan 0.000 0.528 284 A N -0.753 122.104 122.820 0.062 0.000 1.902 284 A HA 0.571 4.889 4.320 -0.004 0.000 0.217 284 A C 1.593 179.209 177.584 0.054 0.000 1.181 284 A CA 2.474 54.549 52.037 0.063 0.000 0.623 284 A CB -0.143 18.900 19.000 0.073 0.000 0.818 284 A HN 2.355 nan 8.150 nan 0.000 0.443 285 A N -2.664 120.189 122.820 0.055 0.000 2.594 285 A HA 0.697 5.015 4.320 -0.004 0.000 0.291 285 A C -0.124 177.491 177.584 0.052 0.000 1.105 285 A CA -0.139 51.930 52.037 0.053 0.000 0.694 285 A CB 0.220 19.257 19.000 0.060 0.000 1.291 285 A HN 1.465 nan 8.150 nan 0.000 0.410 286 A N 0.207 123.055 122.820 0.046 0.000 2.425 286 A HA 0.631 4.948 4.320 -0.004 0.000 0.249 286 A C 0.678 178.288 177.584 0.042 0.000 1.084 286 A CA 0.470 52.530 52.037 0.039 0.000 0.781 286 A CB -0.134 18.883 19.000 0.028 0.000 1.019 286 A HN 2.335 nan 8.150 nan 0.000 0.490 287 A N 0.995 123.837 122.820 0.036 0.000 2.264 287 A HA 0.512 4.829 4.320 -0.004 0.000 0.304 287 A C 0.415 177.987 177.584 -0.020 0.000 1.100 287 A CA -0.391 51.667 52.037 0.036 0.000 0.839 287 A CB -0.039 18.992 19.000 0.053 0.000 1.121 287 A HN 1.028 nan 8.150 nan 0.000 0.496 288 C N 1.414 120.687 119.300 -0.045 0.000 2.563 288 C HA 0.212 4.670 4.460 -0.004 0.000 0.411 288 C C 0.494 175.215 174.990 -0.449 0.000 1.386 288 C CA 0.336 59.206 59.018 -0.246 0.000 1.703 288 C CB -0.931 26.642 27.740 -0.279 0.000 2.596 288 C HN 0.793 nan 8.230 nan 0.000 0.605 289 D N 0.812 120.905 120.400 -0.512 0.000 2.381 289 D HA 0.365 5.003 4.640 -0.004 0.000 0.235 289 D C -0.373 175.582 176.300 -0.575 0.000 1.068 289 D CA -0.520 53.233 54.000 -0.411 0.000 0.832 289 D CB 0.525 41.242 40.800 -0.139 0.000 1.101 289 D HN 0.496 nan 8.370 nan 0.000 0.515 290 F N 1.803 121.609 119.950 -0.240 0.000 2.668 290 F HA 0.202 4.727 4.527 -0.004 0.000 0.297 290 F C 1.450 177.123 175.800 -0.211 0.000 1.124 290 F CA -0.284 57.589 58.000 -0.211 0.000 1.353 290 F CB 0.289 39.173 39.000 -0.194 0.000 0.992 290 F HN 0.500 nan 8.300 nan 0.000 0.524 291 H N -1.769 117.352 119.070 0.085 0.000 2.551 291 H HA 0.071 4.625 4.556 -0.004 0.000 0.266 291 H C 0.962 176.310 175.328 0.032 0.000 0.964 291 H CA 0.561 56.642 56.048 0.054 0.000 1.180 291 H CB 0.479 30.260 29.762 0.031 0.000 1.408 291 H HN 0.021 nan 8.280 nan 0.000 0.563 292 T N 0.167 114.787 114.554 0.109 0.000 2.876 292 T HA 0.618 4.965 4.350 -0.004 0.000 0.289 292 T C -0.484 174.240 174.700 0.039 0.000 1.014 292 T CA -0.774 61.363 62.100 0.063 0.000 0.986 292 T CB 0.952 69.845 68.868 0.042 0.000 1.021 292 T HN 0.281 nan 8.240 nan 0.000 0.458 293 A N 3.214 126.050 122.820 0.028 0.000 2.498 293 A HA 0.598 4.916 4.320 -0.004 0.000 0.239 293 A C 0.557 178.141 177.584 0.001 0.000 1.068 293 A CA 0.213 52.257 52.037 0.012 0.000 0.766 293 A CB -0.336 18.666 19.000 0.003 0.000 1.003 293 A HN 1.378 nan 8.150 nan 0.000 0.497 294 S N 0.237 115.927 115.700 -0.017 0.000 2.656 294 S HA 0.820 5.288 4.470 -0.004 0.000 0.273 294 S C -0.599 173.961 174.600 -0.066 0.000 1.168 294 S CA -0.029 58.158 58.200 -0.021 0.000 0.817 294 S CB 1.312 64.514 63.200 0.003 0.000 1.146 294 S HN 2.173 nan 8.310 nan 0.000 0.475 295 S N 0.122 115.809 115.700 -0.022 0.000 2.540 295 S HA 0.748 5.216 4.470 -0.004 0.000 0.275 295 S C -2.063 172.631 174.600 0.156 0.000 1.123 295 S CA -0.664 57.523 58.200 -0.022 0.000 0.907 295 S CB 0.907 64.111 63.200 0.006 0.000 1.081 295 S HN 0.755 nan 8.310 nan 0.000 0.476 296 W N 2.019 123.318 121.300 -0.001 0.000 2.361 296 W HA 0.531 5.188 4.660 -0.005 0.000 0.314 296 W C -0.006 176.348 176.519 -0.275 0.000 1.041 296 W CA -1.002 56.305 57.345 -0.063 0.000 1.241 296 W CB 0.568 30.010 29.460 -0.030 0.000 1.279 296 W HN 0.775 nan 8.180 nan 0.000 0.436 297 E N 1.932 122.064 120.200 -0.113 0.000 2.202 297 E HA 0.667 5.015 4.350 -0.004 0.000 0.272 297 E C -1.258 175.091 176.600 -0.418 0.000 0.951 297 E CA -0.786 55.513 56.400 -0.169 0.000 0.813 297 E CB 1.778 31.449 29.700 -0.047 0.000 1.151 297 E HN 0.065 nan 8.360 nan 0.000 0.398 298 F N 1.044 121.095 119.950 0.169 0.000 2.556 298 F HA 0.343 4.868 4.527 -0.003 0.000 0.314 298 F C -0.141 175.711 175.800 0.087 0.000 1.106 298 F CA -0.820 57.255 58.000 0.126 0.000 0.911 298 F CB 1.924 40.973 39.000 0.083 0.000 1.190 298 F HN 0.386 nan 8.300 nan 0.000 0.448 299 E N 2.153 122.499 120.200 0.243 0.000 2.392 299 E HA 0.517 4.865 4.350 -0.004 0.000 0.279 299 E C -3.323 173.357 176.600 0.134 0.000 0.964 299 E CA -2.437 54.058 56.400 0.159 0.000 0.777 299 E CB 2.732 32.501 29.700 0.115 0.000 1.249 299 E HN 0.153 nan 8.360 nan 0.000 0.449 300 P HA 0.046 nan 4.420 nan 0.000 0.271 300 P C -0.414 176.943 177.300 0.095 0.000 1.218 300 P CA -0.555 62.602 63.100 0.095 0.000 0.780 300 P CB 0.624 32.375 31.700 0.084 0.000 0.901 301 L N 2.430 123.706 121.223 0.088 0.000 2.380 301 L HA 0.216 4.554 4.340 -0.004 0.000 0.273 301 L C 0.275 177.226 176.870 0.136 0.000 1.138 301 L CA 0.198 55.093 54.840 0.092 0.000 0.832 301 L CB -0.284 41.818 42.059 0.072 0.000 1.124 301 L HN 0.224 nan 8.230 nan 0.000 0.454 302 D N 2.698 123.219 120.400 0.202 0.000 2.435 302 D HA 0.035 4.672 4.640 -0.004 0.000 0.230 302 D C 1.174 177.630 176.300 0.261 0.000 1.215 302 D CA 0.480 54.621 54.000 0.234 0.000 0.947 302 D CB 0.813 41.788 40.800 0.292 0.000 1.048 302 D HN 0.785 nan 8.370 nan 0.000 0.512 303 T N -0.044 114.614 114.554 0.173 0.000 2.995 303 T HA -0.122 4.226 4.350 -0.004 0.000 0.269 303 T C 1.173 175.945 174.700 0.119 0.000 1.091 303 T CA 0.554 62.746 62.100 0.154 0.000 1.128 303 T CB 0.193 69.126 68.868 0.107 0.000 0.891 303 T HN 0.134 nan 8.240 nan 0.000 0.492 304 D N 1.239 121.697 120.400 0.096 0.000 2.117 304 D HA -0.025 4.612 4.640 -0.004 0.000 0.198 304 D C 2.224 178.532 176.300 0.013 0.000 0.982 304 D CA 0.877 54.909 54.000 0.052 0.000 0.828 304 D CB -0.181 40.647 40.800 0.047 0.000 0.967 304 D HN 0.357 nan 8.370 nan 0.000 0.464 305 V N -0.271 119.646 119.914 0.005 0.000 2.649 305 V HA -0.043 4.074 4.120 -0.004 0.000 0.248 305 V C 0.537 176.394 176.094 -0.394 0.000 1.054 305 V CA 0.787 62.969 62.300 -0.198 0.000 1.073 305 V CB -0.138 31.550 31.823 -0.225 0.000 0.699 305 V HN 0.014 nan 8.190 nan 0.000 0.463 306 F N 0.626 120.622 119.950 0.077 0.000 2.366 306 F HA 0.411 4.936 4.527 -0.004 0.000 0.357 306 F C -1.925 173.905 175.800 0.049 0.000 1.107 306 F CA -1.865 56.175 58.000 0.068 0.000 1.208 306 F CB 0.967 40.021 39.000 0.092 0.000 1.464 306 F HN 0.079 nan 8.300 nan 0.000 0.501 307 P HA -0.030 nan 4.420 nan 0.000 0.241 307 P C 1.487 178.857 177.300 0.117 0.000 1.191 307 P CA 0.539 63.700 63.100 0.102 0.000 0.771 307 P CB 0.279 32.008 31.700 0.049 0.000 0.929 308 A N -0.087 122.819 122.820 0.143 0.000 1.940 308 A HA -0.160 4.158 4.320 -0.004 0.000 0.219 308 A C 2.205 179.903 177.584 0.191 0.000 1.176 308 A CA 1.836 53.975 52.037 0.171 0.000 0.631 308 A CB -1.589 17.503 19.000 0.155 0.000 0.814 308 A HN 0.087 nan 8.150 nan 0.000 0.446 309 V N -0.100 119.895 119.914 0.136 0.000 2.379 309 V HA -0.190 3.927 4.120 -0.004 0.000 0.245 309 V C 2.566 178.684 176.094 0.039 0.000 1.044 309 V CA 2.223 64.575 62.300 0.085 0.000 1.036 309 V CB -0.678 31.195 31.823 0.083 0.000 0.664 309 V HN 0.731 nan 8.190 nan 0.000 0.453 310 E N 0.627 120.860 120.200 0.055 0.000 2.110 310 E HA -0.238 4.110 4.350 -0.004 0.000 0.193 310 E C 1.935 178.534 176.600 -0.002 0.000 0.988 310 E CA 1.404 57.818 56.400 0.024 0.000 0.804 310 E CB -0.487 29.240 29.700 0.044 0.000 0.745 310 E HN 0.393 nan 8.360 nan 0.000 0.458 311 L N 0.223 121.476 121.223 0.051 0.000 2.046 311 L HA -0.072 4.266 4.340 -0.004 0.000 0.208 311 L C 2.289 179.124 176.870 -0.059 0.000 1.077 311 L CA 2.059 56.945 54.840 0.077 0.000 0.747 311 L CB -0.974 41.212 42.059 0.211 0.000 0.896 311 L HN 0.254 nan 8.230 nan 0.000 0.432 312 A N -0.552 122.137 122.820 -0.218 0.000 1.908 312 A HA -0.254 4.063 4.320 -0.004 0.000 0.218 312 A C 2.388 179.687 177.584 -0.476 0.000 1.181 312 A CA 1.962 53.614 52.037 -0.641 0.000 0.627 312 A CB -0.535 18.166 19.000 -0.498 0.000 0.818 312 A HN 0.474 nan 8.150 nan 0.000 0.445 313 R N -0.602 119.689 120.500 -0.348 0.000 2.073 313 R HA -0.165 4.172 4.340 -0.004 0.000 0.234 313 R C 2.521 178.514 176.300 -0.512 0.000 1.134 313 R CA 1.741 57.532 56.100 -0.516 0.000 0.952 313 R CB -0.420 29.737 30.300 -0.238 0.000 0.850 313 R HN 0.703 nan 8.270 nan 0.000 0.433 314 Q N 0.217 119.856 119.800 -0.269 0.000 2.061 314 Q HA -0.173 4.165 4.340 -0.004 0.000 0.204 314 Q C 2.290 178.176 176.000 -0.190 0.000 0.984 314 Q CA 1.776 57.475 55.803 -0.173 0.000 0.846 314 Q CB -0.254 28.454 28.738 -0.050 0.000 0.902 314 Q HN 0.398 nan 8.270 nan 0.000 0.421 315 A N 0.962 123.662 122.820 -0.199 0.000 1.902 315 A HA -0.119 4.199 4.320 -0.004 0.000 0.217 315 A C 2.312 179.762 177.584 -0.223 0.000 1.181 315 A CA 1.660 53.604 52.037 -0.155 0.000 0.623 315 A CB -1.265 17.664 19.000 -0.119 0.000 0.818 315 A HN 0.493 nan 8.150 nan 0.000 0.443 316 G N -0.539 107.996 108.800 -0.440 0.000 2.446 316 G HA2 -0.139 3.818 3.960 -0.004 0.000 0.217 316 G HA3 -0.139 3.818 3.960 -0.004 0.000 0.217 316 G C 1.504 176.185 174.900 -0.365 0.000 1.168 316 G CA 1.308 46.110 45.100 -0.497 0.000 0.771 316 G HN 0.332 nan 8.290 nan 0.000 0.551 317 V N 1.534 121.147 119.914 -0.500 0.000 2.427 317 V HA -0.096 4.021 4.120 -0.004 0.000 0.248 317 V C 3.305 179.344 176.094 -0.090 0.000 1.051 317 V CA 1.842 64.015 62.300 -0.213 0.000 1.048 317 V CB -0.759 30.946 31.823 -0.197 0.000 0.666 317 V HN 0.479 nan 8.190 nan 0.000 0.456 318 A N -0.692 122.071 122.820 -0.094 0.000 1.933 318 A HA 0.256 4.573 4.320 -0.004 0.000 0.218 318 A C 1.663 179.245 177.584 -0.003 0.000 1.175 318 A CA 1.615 53.633 52.037 -0.032 0.000 0.628 318 A CB -0.896 18.094 19.000 -0.016 0.000 0.814 318 A HN 1.226 nan 8.150 nan 0.000 0.444 319 G N -2.974 105.826 108.800 -0.000 0.000 2.693 319 G HA2 0.307 4.264 3.960 -0.004 0.000 0.226 319 G HA3 0.307 4.264 3.960 -0.004 0.000 0.226 319 G C 1.152 176.080 174.900 0.047 0.000 1.354 319 G CA 0.485 45.608 45.100 0.038 0.000 0.873 319 G HN 2.371 nan 8.290 nan 0.000 0.562 320 G N -2.057 106.776 108.800 0.055 0.000 2.561 320 G HA2 -0.129 3.829 3.960 -0.004 0.000 0.289 320 G HA3 -0.129 3.829 3.960 -0.004 0.000 0.289 320 G C 1.305 176.247 174.900 0.070 0.000 1.169 320 G CA 1.512 46.650 45.100 0.063 0.000 0.980 320 G HN 2.208 nan 8.290 nan 0.000 0.550 321 C N 1.686 121.048 119.300 0.103 0.000 2.625 321 C HA 0.377 4.835 4.460 -0.004 0.000 0.285 321 C C 2.756 177.777 174.990 0.053 0.000 1.279 321 C CA 0.755 59.817 59.018 0.075 0.000 1.698 321 C CB -1.312 26.492 27.740 0.107 0.000 1.821 321 C HN 0.504 nan 8.230 nan 0.000 0.600 322 M N 1.604 121.247 119.600 0.073 0.000 2.175 322 M HA -0.075 4.403 4.480 -0.004 0.000 0.264 322 M C 2.424 178.761 176.300 0.062 0.000 1.063 322 M CA 1.917 57.259 55.300 0.071 0.000 1.119 322 M CB -1.872 30.762 32.600 0.056 0.000 1.377 322 M HN 0.625 nan 8.290 nan 0.000 0.415 323 T N -1.284 113.292 114.554 0.037 0.000 2.951 323 T HA 0.100 4.447 4.350 -0.004 0.000 0.268 323 T C 1.957 176.707 174.700 0.083 0.000 1.073 323 T CA 1.125 63.249 62.100 0.041 0.000 1.134 323 T CB -0.492 68.381 68.868 0.009 0.000 0.884 323 T HN 0.292 nan 8.240 nan 0.000 0.479 324 A N 1.396 124.237 122.820 0.036 0.000 1.902 324 A HA 0.061 4.379 4.320 -0.004 0.000 0.217 324 A C 2.607 180.190 177.584 -0.001 0.000 1.181 324 A CA 1.564 53.602 52.037 0.002 0.000 0.623 324 A CB -1.138 17.831 19.000 -0.052 0.000 0.818 324 A HN 0.404 nan 8.150 nan 0.000 0.443 325 V N -1.353 118.559 119.914 -0.002 0.000 2.343 325 V HA -0.303 3.815 4.120 -0.004 0.000 0.247 325 V C 2.353 178.497 176.094 0.083 0.000 1.051 325 V CA 2.145 64.463 62.300 0.031 0.000 1.036 325 V CB -1.084 30.785 31.823 0.076 0.000 0.654 325 V HN 0.728 nan 8.190 nan 0.000 0.451 326 Y N 1.620 121.912 120.300 -0.015 0.000 2.165 326 Y HA -0.299 4.249 4.550 -0.003 0.000 0.286 326 Y C 2.533 178.417 175.900 -0.026 0.000 1.155 326 Y CA 2.362 60.448 58.100 -0.022 0.000 1.164 326 Y CB -0.259 38.187 38.460 -0.023 0.000 0.978 326 Y HN 0.352 nan 8.280 nan 0.000 0.513 327 N N 0.249 119.043 118.700 0.156 0.000 2.106 327 N HA -0.140 4.598 4.740 -0.004 0.000 0.188 327 N C 1.891 177.379 175.510 -0.038 0.000 1.029 327 N CA 1.624 54.709 53.050 0.058 0.000 0.848 327 N CB -0.601 37.944 38.487 0.096 0.000 1.007 327 N HN 0.461 nan 8.380 nan 0.000 0.423 328 A N 0.404 123.205 122.820 -0.031 0.000 1.877 328 A HA 0.025 4.343 4.320 -0.004 0.000 0.216 328 A C 2.334 179.869 177.584 -0.081 0.000 1.186 328 A CA 1.997 54.002 52.037 -0.053 0.000 0.620 328 A CB -1.285 17.682 19.000 -0.055 0.000 0.822 328 A HN 0.420 nan 8.150 nan 0.000 0.443 329 A N 0.202 122.964 122.820 -0.098 0.000 1.933 329 A HA -0.233 4.084 4.320 -0.004 0.000 0.218 329 A C 1.951 179.437 177.584 -0.164 0.000 1.175 329 A CA 2.168 54.127 52.037 -0.130 0.000 0.628 329 A CB -0.805 18.116 19.000 -0.131 0.000 0.814 329 A HN 0.668 nan 8.150 nan 0.000 0.444 330 N N -0.235 118.333 118.700 -0.219 0.000 2.120 330 N HA -0.172 4.565 4.740 -0.004 0.000 0.188 330 N C 1.617 177.057 175.510 -0.117 0.000 1.024 330 N CA 1.876 54.798 53.050 -0.214 0.000 0.852 330 N CB -0.266 38.053 38.487 -0.280 0.000 1.003 330 N HN 0.631 nan 8.380 nan 0.000 0.424 331 E N -0.073 120.075 120.200 -0.086 0.000 2.038 331 E HA -0.203 4.145 4.350 -0.004 0.000 0.195 331 E C 1.761 178.337 176.600 -0.041 0.000 1.000 331 E CA 1.109 57.481 56.400 -0.047 0.000 0.803 331 E CB -0.075 29.602 29.700 -0.037 0.000 0.750 331 E HN 0.405 nan 8.360 nan 0.000 0.448 332 E N 0.198 120.364 120.200 -0.056 0.000 2.051 332 E HA -0.181 4.167 4.350 -0.004 0.000 0.192 332 E C 2.068 178.643 176.600 -0.041 0.000 0.991 332 E CA 1.093 57.463 56.400 -0.050 0.000 0.799 332 E CB -0.235 29.424 29.700 -0.069 0.000 0.748 332 E HN 0.237 nan 8.360 nan 0.000 0.449 333 A N 1.332 124.115 122.820 -0.062 0.000 1.902 333 A HA -0.073 4.244 4.320 -0.004 0.000 0.217 333 A C 2.401 179.982 177.584 -0.005 0.000 1.181 333 A CA 2.059 54.065 52.037 -0.052 0.000 0.623 333 A CB -0.550 18.387 19.000 -0.104 0.000 0.818 333 A HN 0.271 nan 8.150 nan 0.000 0.443 334 A N -0.189 122.624 122.820 -0.013 0.000 1.930 334 A HA 0.196 4.514 4.320 -0.004 0.000 0.217 334 A C 2.486 180.145 177.584 0.125 0.000 1.175 334 A CA 1.973 54.043 52.037 0.055 0.000 0.627 334 A CB -0.950 18.062 19.000 0.021 0.000 0.815 334 A HN 1.002 nan 8.150 nan 0.000 0.443 335 A N 0.039 122.897 122.820 0.062 0.000 1.877 335 A HA 0.146 4.464 4.320 -0.004 0.000 0.216 335 A C 2.522 180.137 177.584 0.052 0.000 1.186 335 A CA 2.125 54.192 52.037 0.050 0.000 0.620 335 A CB -1.130 17.880 19.000 0.017 0.000 0.822 335 A HN 1.117 nan 8.150 nan 0.000 0.443 336 A N -1.251 121.597 122.820 0.047 0.000 1.986 336 A HA -0.118 4.199 4.320 -0.004 0.000 0.220 336 A C 2.044 179.675 177.584 0.078 0.000 1.171 336 A CA 1.772 53.833 52.037 0.041 0.000 0.640 336 A CB -0.717 18.299 19.000 0.026 0.000 0.811 336 A HN 0.792 nan 8.150 nan 0.000 0.451 337 F N 0.256 120.206 119.950 -0.000 0.000 2.163 337 F HA -0.020 4.504 4.527 -0.004 0.000 0.297 337 F C 1.783 177.611 175.800 0.046 0.000 1.094 337 F CA 1.397 59.415 58.000 0.030 0.000 1.290 337 F CB -0.200 38.831 39.000 0.053 0.000 1.017 337 F HN 0.120 nan 8.300 nan 0.000 0.483 338 L N 0.081 121.276 121.223 -0.047 0.000 2.201 338 L HA -0.079 4.258 4.340 -0.004 0.000 0.212 338 L C 2.266 179.044 176.870 -0.152 0.000 1.105 338 L CA 0.934 55.693 54.840 -0.135 0.000 0.775 338 L CB -0.883 41.194 42.059 0.031 0.000 0.913 338 L HN 0.255 nan 8.230 nan 0.000 0.440 339 A N -0.310 122.451 122.820 -0.098 0.000 2.327 339 A HA 0.344 4.662 4.320 -0.004 0.000 0.228 339 A C 1.614 179.140 177.584 -0.097 0.000 1.275 339 A CA 0.512 52.503 52.037 -0.078 0.000 0.875 339 A CB -0.646 18.330 19.000 -0.039 0.000 0.925 339 A HN 0.480 nan 8.150 nan 0.000 0.493 340 G N -0.335 108.363 108.800 -0.169 0.000 2.203 340 G HA2 -0.341 3.617 3.960 -0.004 0.000 0.263 340 G HA3 -0.341 3.617 3.960 -0.004 0.000 0.263 340 G C 0.907 175.762 174.900 -0.075 0.000 1.012 340 G CA 0.910 45.919 45.100 -0.152 0.000 0.749 340 G HN 0.655 nan 8.290 nan 0.000 0.512 341 R N -0.374 120.099 120.500 -0.046 0.000 2.254 341 R HA 0.536 4.874 4.340 -0.004 0.000 0.193 341 R C 1.348 177.660 176.300 0.021 0.000 0.929 341 R CA 0.958 57.052 56.100 -0.010 0.000 1.038 341 R CB 0.137 30.431 30.300 -0.010 0.000 1.009 341 R HN 0.818 nan 8.270 nan 0.000 0.512 342 I N -3.846 116.763 120.570 0.064 0.000 3.191 342 I HA 0.673 4.840 4.170 -0.004 0.000 0.313 342 I C -0.116 176.130 176.117 0.216 0.000 1.193 342 I CA -1.603 59.758 61.300 0.102 0.000 0.968 342 I CB 1.832 39.880 38.000 0.081 0.000 1.262 342 I HN -0.089 nan 8.210 nan 0.000 0.456 343 G N 0.521 109.421 108.800 0.166 0.000 2.537 343 G HA2 0.297 4.254 3.960 -0.004 0.000 0.273 343 G HA3 0.297 4.254 3.960 -0.004 0.000 0.273 343 G C -0.117 174.897 174.900 0.189 0.000 1.189 343 G CA -0.435 44.796 45.100 0.218 0.000 0.881 343 G HN 0.743 nan 8.290 nan 0.000 0.535 344 F N 2.134 122.053 119.950 -0.052 0.000 2.069 344 F HA -0.033 4.492 4.527 -0.004 0.000 0.298 344 F C 0.065 175.686 175.800 -0.298 0.000 1.113 344 F CA 1.710 59.431 58.000 -0.465 0.000 1.214 344 F CB -0.612 38.093 39.000 -0.491 0.000 0.978 344 F HN 0.315 nan 8.300 nan 0.000 0.474 345 P HA -0.166 nan 4.420 nan 0.000 0.218 345 P C 1.373 178.542 177.300 -0.219 0.000 1.148 345 P CA 2.141 65.111 63.100 -0.217 0.000 0.822 345 P CB -0.386 31.250 31.700 -0.107 0.000 0.784 346 A N -1.108 121.618 122.820 -0.157 0.000 2.121 346 A HA -0.139 4.179 4.320 -0.004 0.000 0.218 346 A C 2.039 179.526 177.584 -0.161 0.000 1.154 346 A CA 0.919 52.885 52.037 -0.119 0.000 0.679 346 A CB -1.475 17.493 19.000 -0.053 0.000 0.795 346 A HN 0.126 nan 8.150 nan 0.000 0.458 347 I N -0.542 119.872 120.570 -0.260 0.000 2.069 347 I HA -0.268 3.900 4.170 -0.004 0.000 0.237 347 I C 2.303 178.268 176.117 -0.253 0.000 1.053 347 I CA 1.695 62.827 61.300 -0.281 0.000 1.311 347 I CB -0.542 37.194 38.000 -0.440 0.000 1.030 347 I HN 0.157 nan 8.210 nan 0.000 0.398 348 V N 1.037 120.785 119.914 -0.277 0.000 2.515 348 V HA -0.156 3.962 4.120 -0.004 0.000 0.250 348 V C 2.567 178.570 176.094 -0.150 0.000 1.058 348 V CA 1.853 64.033 62.300 -0.200 0.000 1.064 348 V CB -1.504 30.227 31.823 -0.153 0.000 0.675 348 V HN 0.624 nan 8.190 nan 0.000 0.461 349 G N 0.497 109.213 108.800 -0.140 0.000 2.529 349 G HA2 -0.297 3.660 3.960 -0.004 0.000 0.219 349 G HA3 -0.297 3.660 3.960 -0.004 0.000 0.219 349 G C 1.576 176.418 174.900 -0.096 0.000 1.177 349 G CA 1.425 46.468 45.100 -0.095 0.000 0.773 349 G HN 0.495 nan 8.290 nan 0.000 0.573 350 I N 0.567 121.070 120.570 -0.112 0.000 2.226 350 I HA -0.122 4.046 4.170 -0.004 0.000 0.245 350 I C 2.685 178.721 176.117 -0.135 0.000 1.100 350 I CA 0.681 61.916 61.300 -0.108 0.000 1.374 350 I CB -0.189 37.749 38.000 -0.103 0.000 1.057 350 I HN 0.184 nan 8.210 nan 0.000 0.413 351 I N 0.764 121.231 120.570 -0.172 0.000 2.163 351 I HA -0.319 3.848 4.170 -0.004 0.000 0.243 351 I C 2.829 178.834 176.117 -0.186 0.000 1.085 351 I CA 1.433 62.614 61.300 -0.200 0.000 1.347 351 I CB -0.615 37.199 38.000 -0.309 0.000 1.044 351 I HN 0.187 nan 8.210 nan 0.000 0.408 352 A N 0.862 123.557 122.820 -0.208 0.000 1.865 352 A HA -0.267 4.051 4.320 -0.004 0.000 0.217 352 A C 1.986 179.231 177.584 -0.565 0.000 1.191 352 A CA 2.297 54.092 52.037 -0.405 0.000 0.623 352 A CB -0.736 18.136 19.000 -0.213 0.000 0.826 352 A HN 0.386 nan 8.150 nan 0.000 0.444 353 D N -0.249 120.030 120.400 -0.202 0.000 2.123 353 D HA -0.117 4.521 4.640 -0.004 0.000 0.196 353 D C 2.084 178.369 176.300 -0.024 0.000 0.992 353 D CA 1.574 55.547 54.000 -0.045 0.000 0.833 353 D CB -0.570 40.227 40.800 -0.005 0.000 0.954 353 D HN 0.255 nan 8.370 nan 0.000 0.455 354 V N 1.085 120.966 119.914 -0.055 0.000 2.307 354 V HA -0.197 3.921 4.120 -0.004 0.000 0.245 354 V C 2.705 178.896 176.094 0.163 0.000 1.045 354 V CA 1.057 63.374 62.300 0.028 0.000 1.024 354 V CB -0.504 31.299 31.823 -0.034 0.000 0.651 354 V HN 0.165 nan 8.190 nan 0.000 0.449 355 L N -0.549 120.694 121.223 0.033 0.000 2.012 355 L HA -0.231 4.107 4.340 -0.004 0.000 0.210 355 L C 2.534 179.492 176.870 0.147 0.000 1.073 355 L CA 2.022 56.909 54.840 0.078 0.000 0.748 355 L CB -0.829 41.219 42.059 -0.018 0.000 0.891 355 L HN 0.449 nan 8.230 nan 0.000 0.431 356 H N -0.899 118.246 119.070 0.125 0.000 2.457 356 H HA -0.110 4.443 4.556 -0.004 0.000 0.297 356 H C 1.946 177.353 175.328 0.130 0.000 1.092 356 H CA 0.647 56.755 56.048 0.100 0.000 1.309 356 H CB 0.031 29.835 29.762 0.069 0.000 1.382 356 H HN 0.414 nan 8.280 nan 0.000 0.535 357 A N 0.492 123.498 122.820 0.310 0.000 2.275 357 A HA 0.441 4.758 4.320 -0.004 0.000 0.212 357 A C 1.657 179.484 177.584 0.404 0.000 1.201 357 A CA 0.473 52.716 52.037 0.343 0.000 0.843 357 A CB 0.078 19.297 19.000 0.366 0.000 0.873 357 A HN 0.364 nan 8.150 nan 0.000 0.492 358 A N -0.051 122.953 122.820 0.308 0.000 2.842 358 A HA 0.400 4.718 4.320 -0.004 0.000 0.298 358 A C 0.364 177.953 177.584 0.007 0.000 1.293 358 A CA 0.113 52.227 52.037 0.128 0.000 0.959 358 A CB -0.488 18.702 19.000 0.317 0.000 1.119 358 A HN 0.346 nan 8.150 nan 0.000 0.564 359 D N 0.270 120.647 120.400 -0.038 0.000 2.269 359 D HA -0.182 4.456 4.640 -0.004 0.000 0.208 359 D C 2.084 178.276 176.300 -0.181 0.000 0.963 359 D CA 1.323 55.285 54.000 -0.064 0.000 0.864 359 D CB -0.034 40.746 40.800 -0.034 0.000 0.936 359 D HN 0.808 nan 8.370 nan 0.000 0.505 360 Q N -0.295 119.275 119.800 -0.384 0.000 2.291 360 Q HA -0.132 4.205 4.340 -0.004 0.000 0.205 360 Q C 0.729 176.346 176.000 -0.638 0.000 0.970 360 Q CA 0.811 56.257 55.803 -0.596 0.000 0.876 360 Q CB -0.456 27.747 28.738 -0.892 0.000 0.935 360 Q HN 0.482 nan 8.270 nan 0.000 0.455 361 W N 0.157 121.309 121.300 -0.246 0.000 3.325 361 W HA 0.525 5.183 4.660 -0.004 0.000 0.370 361 W C 1.290 177.747 176.519 -0.105 0.000 1.169 361 W CA -0.201 57.032 57.345 -0.188 0.000 1.874 361 W CB 0.453 29.779 29.460 -0.224 0.000 1.076 361 W HN 0.182 nan 8.180 nan 0.000 0.684 362 A N 0.105 122.949 122.820 0.041 0.000 2.238 362 A HA 0.196 4.513 4.320 -0.004 0.000 0.208 362 A C 0.620 178.216 177.584 0.020 0.000 1.177 362 A CA 0.332 52.388 52.037 0.032 0.000 0.804 362 A CB -0.408 18.592 19.000 0.001 0.000 0.823 362 A HN -0.013 nan 8.150 nan 0.000 0.482 363 V N 1.474 121.397 119.914 0.015 0.000 2.607 363 V HA 0.140 4.258 4.120 -0.004 0.000 0.289 363 V C 0.194 176.317 176.094 0.048 0.000 1.053 363 V CA -1.026 61.281 62.300 0.011 0.000 0.996 363 V CB 1.186 32.995 31.823 -0.023 0.000 0.995 363 V HN 0.402 nan 8.190 nan 0.000 0.476 364 E N 5.004 125.225 120.200 0.035 0.000 2.392 364 E HA 0.176 4.523 4.350 -0.004 0.000 0.264 364 E C -2.215 174.413 176.600 0.047 0.000 1.024 364 E CA -1.224 55.200 56.400 0.041 0.000 0.903 364 E CB 0.441 30.157 29.700 0.027 0.000 0.963 364 E HN 0.490 nan 8.360 nan 0.000 0.432 365 P HA 0.120 nan 4.420 nan 0.000 0.279 365 P C -0.380 176.939 177.300 0.032 0.000 1.239 365 P CA -0.103 63.029 63.100 0.053 0.000 0.789 365 P CB 1.285 33.014 31.700 0.047 0.000 0.933 366 A N 2.828 125.667 122.820 0.031 0.000 2.014 366 A HA 0.205 4.523 4.320 -0.004 0.000 0.210 366 A C 1.031 178.623 177.584 0.014 0.000 1.188 366 A CA 1.329 53.377 52.037 0.019 0.000 0.731 366 A CB -0.475 18.535 19.000 0.017 0.000 0.858 366 A HN 0.677 nan 8.150 nan 0.000 0.464 367 T N -5.447 109.118 114.554 0.020 0.000 2.838 367 T HA 0.460 4.808 4.350 -0.004 0.000 0.292 367 T C 0.762 175.470 174.700 0.013 0.000 1.113 367 T CA 0.106 62.214 62.100 0.014 0.000 1.008 367 T CB 1.201 70.079 68.868 0.016 0.000 1.259 367 T HN -0.005 nan 8.240 nan 0.000 0.520 368 V N 1.072 120.989 119.914 0.005 0.000 2.407 368 V HA -0.140 3.978 4.120 -0.004 0.000 0.248 368 V C 2.358 178.456 176.094 0.006 0.000 1.055 368 V CA 2.114 64.414 62.300 0.001 0.000 1.049 368 V CB -0.770 31.050 31.823 -0.005 0.000 0.662 368 V HN 0.881 nan 8.190 nan 0.000 0.455 369 D N -0.052 120.357 120.400 0.015 0.000 2.178 369 D HA -0.163 4.474 4.640 -0.004 0.000 0.201 369 D C 1.880 178.204 176.300 0.040 0.000 0.980 369 D CA 1.291 55.306 54.000 0.024 0.000 0.842 369 D CB -0.262 40.556 40.800 0.029 0.000 0.948 369 D HN 0.445 nan 8.370 nan 0.000 0.472 370 D N 0.296 120.727 120.400 0.052 0.000 2.104 370 D HA -0.112 4.526 4.640 -0.004 0.000 0.194 370 D C 2.321 178.649 176.300 0.047 0.000 0.994 370 D CA 0.493 54.548 54.000 0.091 0.000 0.830 370 D CB -0.254 40.602 40.800 0.095 0.000 0.959 370 D HN 0.091 nan 8.370 nan 0.000 0.452 371 V N 1.149 121.066 119.914 0.006 0.000 2.343 371 V HA -0.204 3.913 4.120 -0.004 0.000 0.247 371 V C 2.636 178.680 176.094 -0.083 0.000 1.051 371 V CA 1.107 63.381 62.300 -0.044 0.000 1.036 371 V CB -0.447 31.360 31.823 -0.027 0.000 0.654 371 V HN 0.190 nan 8.190 nan 0.000 0.451 372 L N -0.347 120.849 121.223 -0.045 0.000 2.093 372 L HA -0.152 4.186 4.340 -0.004 0.000 0.208 372 L C 2.357 179.192 176.870 -0.058 0.000 1.085 372 L CA 1.371 56.184 54.840 -0.045 0.000 0.755 372 L CB -0.798 41.252 42.059 -0.015 0.000 0.904 372 L HN 0.328 nan 8.230 nan 0.000 0.435 373 D N 0.564 120.943 120.400 -0.035 0.000 2.097 373 D HA -0.161 4.476 4.640 -0.004 0.000 0.195 373 D C 2.280 178.426 176.300 -0.257 0.000 0.989 373 D CA 1.577 55.577 54.000 -0.000 0.000 0.827 373 D CB -0.064 40.838 40.800 0.169 0.000 0.966 373 D HN 0.303 nan 8.370 nan 0.000 0.456 374 A N 0.969 123.390 122.820 -0.665 0.000 1.908 374 A HA -0.240 4.077 4.320 -0.004 0.000 0.218 374 A C 2.130 179.348 177.584 -0.611 0.000 1.181 374 A CA 1.505 52.711 52.037 -1.385 0.000 0.627 374 A CB -0.603 17.749 19.000 -1.081 0.000 0.818 374 A HN 0.228 nan 8.150 nan 0.000 0.445 375 Q N -1.253 118.364 119.800 -0.305 0.000 2.123 375 Q HA -0.140 4.197 4.340 -0.004 0.000 0.199 375 Q C 2.367 178.315 176.000 -0.087 0.000 0.966 375 Q CA 1.259 56.971 55.803 -0.151 0.000 0.845 375 Q CB -0.163 28.514 28.738 -0.101 0.000 0.907 375 Q HN 0.708 nan 8.270 nan 0.000 0.439 376 R N 0.136 120.598 120.500 -0.062 0.000 2.080 376 R HA -0.209 4.129 4.340 -0.004 0.000 0.236 376 R C 1.942 178.263 176.300 0.034 0.000 1.137 376 R CA 1.772 57.870 56.100 -0.004 0.000 0.943 376 R CB -0.382 29.937 30.300 0.031 0.000 0.846 376 R HN 0.334 nan 8.270 nan 0.000 0.431 377 W N 0.795 122.027 121.300 -0.114 0.000 2.333 377 W HA -0.240 4.418 4.660 -0.004 0.000 0.316 377 W C 2.105 178.595 176.519 -0.048 0.000 1.215 377 W CA 2.497 59.831 57.345 -0.019 0.000 1.278 377 W CB -0.477 29.045 29.460 0.104 0.000 1.154 377 W HN 0.252 nan 8.180 nan 0.000 0.486 378 A N 0.487 123.363 122.820 0.093 0.000 1.933 378 A HA -0.171 4.147 4.320 -0.004 0.000 0.218 378 A C 2.028 179.502 177.584 -0.183 0.000 1.175 378 A CA 1.766 53.764 52.037 -0.066 0.000 0.628 378 A CB -0.777 18.257 19.000 0.056 0.000 0.814 378 A HN 0.408 nan 8.150 nan 0.000 0.444 379 R N -0.437 119.986 120.500 -0.129 0.000 2.073 379 R HA -0.145 4.192 4.340 -0.004 0.000 0.234 379 R C 2.189 178.396 176.300 -0.155 0.000 1.134 379 R CA 1.716 57.744 56.100 -0.120 0.000 0.952 379 R CB -0.360 29.893 30.300 -0.078 0.000 0.850 379 R HN 0.689 nan 8.270 nan 0.000 0.433 380 E N -0.039 120.053 120.200 -0.181 0.000 2.058 380 E HA -0.243 4.105 4.350 -0.004 0.000 0.194 380 E C 2.077 178.511 176.600 -0.277 0.000 0.997 380 E CA 1.187 57.468 56.400 -0.197 0.000 0.801 380 E CB -0.078 29.514 29.700 -0.179 0.000 0.746 380 E HN 0.071 nan 8.360 nan 0.000 0.450 381 R N 0.930 121.147 120.500 -0.472 0.000 2.096 381 R HA -0.110 4.227 4.340 -0.004 0.000 0.235 381 R C 1.972 178.093 176.300 -0.297 0.000 1.127 381 R CA 1.586 57.380 56.100 -0.510 0.000 0.968 381 R CB -0.452 29.267 30.300 -0.968 0.000 0.861 381 R HN 0.163 nan 8.270 nan 0.000 0.440 382 A N 0.171 122.842 122.820 -0.247 0.000 1.929 382 A HA -0.146 4.171 4.320 -0.004 0.000 0.216 382 A C 2.094 179.604 177.584 -0.124 0.000 1.176 382 A CA 1.259 53.199 52.037 -0.161 0.000 0.628 382 A CB -0.584 18.332 19.000 -0.139 0.000 0.816 382 A HN 0.470 nan 8.150 nan 0.000 0.444 383 Q N 0.187 119.912 119.800 -0.124 0.000 2.050 383 Q HA -0.199 4.138 4.340 -0.004 0.000 0.202 383 Q C 2.268 178.218 176.000 -0.085 0.000 0.980 383 Q CA 1.691 57.439 55.803 -0.091 0.000 0.840 383 Q CB -0.267 28.420 28.738 -0.086 0.000 0.898 383 Q HN 0.697 nan 8.270 nan 0.000 0.424 384 R N -0.245 120.192 120.500 -0.105 0.000 2.103 384 R HA -0.159 4.179 4.340 -0.004 0.000 0.242 384 R C 2.310 178.567 176.300 -0.072 0.000 1.142 384 R CA 1.399 57.447 56.100 -0.087 0.000 0.960 384 R CB -0.430 29.806 30.300 -0.106 0.000 0.858 384 R HN 0.303 nan 8.270 nan 0.000 0.439 385 A N 0.479 123.249 122.820 -0.083 0.000 1.930 385 A HA -0.078 4.240 4.320 -0.004 0.000 0.217 385 A C 2.335 179.889 177.584 -0.050 0.000 1.175 385 A CA 1.134 53.132 52.037 -0.064 0.000 0.627 385 A CB -0.292 18.664 19.000 -0.074 0.000 0.815 385 A HN 0.118 nan 8.150 nan 0.000 0.443 386 V N -0.251 119.632 119.914 -0.052 0.000 2.358 386 V HA -0.182 3.936 4.120 -0.004 0.000 0.246 386 V C 2.673 178.750 176.094 -0.029 0.000 1.047 386 V CA 2.164 64.442 62.300 -0.036 0.000 1.035 386 V CB -0.705 31.097 31.823 -0.035 0.000 0.658 386 V HN 0.538 nan 8.190 nan 0.000 0.452 387 S N 0.611 116.291 115.700 -0.034 0.000 2.440 387 S HA -0.118 4.350 4.470 -0.004 0.000 0.238 387 S C 1.668 176.255 174.600 -0.022 0.000 1.010 387 S CA 1.212 59.396 58.200 -0.028 0.000 0.972 387 S CB -0.348 62.833 63.200 -0.032 0.000 0.774 387 S HN 0.703 nan 8.310 nan 0.000 0.501 388 G N 0.513 109.299 108.800 -0.023 0.000 3.591 388 G HA2 0.505 4.462 3.960 -0.004 0.000 0.282 388 G HA3 0.505 4.462 3.960 -0.004 0.000 0.282 388 G C -0.016 174.876 174.900 -0.014 0.000 1.238 388 G CA -0.242 44.848 45.100 -0.017 0.000 0.993 388 G HN 0.270 nan 8.290 nan 0.000 0.542 389 M N 0.000 119.593 119.600 -0.012 0.000 2.572 389 M HA 0.000 4.478 4.480 -0.004 0.000 0.227 389 M CA 0.000 55.296 55.300 -0.007 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