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 2jcy_1_A DATA FIRST_RESID 11 DATA SEQUENCE GRLRVVVLGS TGSIGTQALQ VIADNPDRFE VVGLAAGGAH LDTLLRQRAQ DATA SEQUENCE TGVTNIAVAD EHAAQRVGDI PYHGSDAATR LVEQTEADVV LNALVGALGL DATA SEQUENCE RPTLAALKTG ARLALANKES LVAGGSLVLR AARPGQIVPV NSEHSALAQC DATA SEQUENCE LRGGTPDEVA KLVLTASGGP FRGWSAADLE HVTPEQAGAH PTWSMGPMNT DATA SEQUENCE LNSASLVNKG LQVIETHLLF 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 3.962 3.960 0.003 0.000 0.244 11 G C 0.000 174.863 174.900 -0.062 0.000 0.946 11 G CA 0.000 45.076 45.100 -0.040 0.000 0.502 12 R N 1.212 121.686 120.500 -0.044 0.000 2.255 12 R HA 0.604 4.946 4.340 0.003 0.000 0.326 12 R C -0.602 175.696 176.300 -0.003 0.000 0.986 12 R CA -0.473 55.597 56.100 -0.051 0.000 0.847 12 R CB 0.684 30.968 30.300 -0.027 0.000 1.111 12 R HN 0.120 nan 8.270 nan 0.000 0.452 13 L N 5.333 126.566 121.223 0.017 0.000 2.290 13 L HA 0.380 4.722 4.340 0.003 0.000 0.284 13 L C 0.476 177.434 176.870 0.146 0.000 1.078 13 L CA -0.321 54.583 54.840 0.106 0.000 0.815 13 L CB 0.908 43.084 42.059 0.194 0.000 1.162 13 L HN 0.415 nan 8.230 nan 0.000 0.435 14 R N 2.749 123.308 120.500 0.098 0.000 2.267 14 R HA 0.433 4.775 4.340 0.003 0.000 0.319 14 R C -0.944 175.403 176.300 0.079 0.000 1.067 14 R CA -0.388 55.761 56.100 0.082 0.000 0.936 14 R CB 1.070 31.402 30.300 0.053 0.000 1.006 14 R HN 0.340 nan 8.270 nan 0.000 0.452 15 V N 4.298 124.254 119.914 0.071 0.000 2.448 15 V HA 0.269 4.391 4.120 0.003 0.000 0.295 15 V C -0.082 176.020 176.094 0.014 0.000 1.025 15 V CA -0.921 61.401 62.300 0.037 0.000 0.859 15 V CB 1.940 33.770 31.823 0.011 0.000 0.988 15 V HN 0.438 nan 8.190 nan 0.000 0.431 16 V N 5.536 125.451 119.914 0.000 0.000 2.407 16 V HA 0.371 4.493 4.120 0.003 0.000 0.278 16 V C -0.026 176.055 176.094 -0.023 0.000 1.037 16 V CA -0.423 61.871 62.300 -0.009 0.000 0.900 16 V CB 1.814 33.626 31.823 -0.017 0.000 0.983 16 V HN 0.636 nan 8.190 nan 0.000 0.459 17 V N 7.142 127.044 119.914 -0.020 0.000 2.311 17 V HA 0.411 4.533 4.120 0.003 0.000 0.275 17 V C -0.114 175.967 176.094 -0.021 0.000 1.022 17 V CA -0.397 61.886 62.300 -0.028 0.000 0.830 17 V CB 1.163 32.968 31.823 -0.030 0.000 1.012 17 V HN 0.612 nan 8.190 nan 0.000 0.452 18 L N 4.207 125.414 121.223 -0.028 0.000 2.275 18 L HA 0.729 5.071 4.340 0.003 0.000 0.288 18 L C 1.073 177.932 176.870 -0.018 0.000 1.046 18 L CA -0.313 54.513 54.840 -0.023 0.000 0.805 18 L CB 1.303 43.343 42.059 -0.032 0.000 1.193 18 L HN 0.863 nan 8.230 nan 0.000 0.426 19 G N 1.670 110.467 108.800 -0.005 0.000 2.291 19 G HA2 -0.271 3.691 3.960 0.003 0.000 0.271 19 G HA3 -0.271 3.691 3.960 0.003 0.000 0.271 19 G C 0.777 175.678 174.900 0.000 0.000 1.099 19 G CA 0.376 45.477 45.100 0.003 0.000 0.919 19 G HN 0.817 nan 8.290 nan 0.000 0.496 20 S N -1.196 114.507 115.700 0.006 0.000 2.428 20 S HA -0.079 4.393 4.470 0.003 0.000 0.230 20 S C 2.291 176.890 174.600 -0.002 0.000 1.014 20 S CA 1.978 60.177 58.200 -0.001 0.000 0.957 20 S CB -0.328 62.876 63.200 0.006 0.000 0.784 20 S HN 1.499 nan 8.310 nan 0.000 0.499 21 T N -1.281 113.282 114.554 0.015 0.000 3.100 21 T HA 0.370 4.723 4.350 0.003 0.000 0.253 21 T C 1.053 175.722 174.700 -0.052 0.000 1.118 21 T CA 0.191 62.294 62.100 0.004 0.000 1.058 21 T CB -0.422 68.494 68.868 0.080 0.000 0.953 21 T HN 0.446 nan 8.240 nan 0.000 0.515 22 G N 0.526 109.310 108.800 -0.026 0.000 2.621 22 G HA2 0.355 4.317 3.960 0.003 0.000 0.271 22 G HA3 0.355 4.317 3.960 0.003 0.000 0.271 22 G C 0.996 175.864 174.900 -0.054 0.000 1.236 22 G CA -0.032 45.043 45.100 -0.043 0.000 0.958 22 G HN 0.169 nan 8.290 nan 0.000 0.512 23 S N -1.105 114.569 115.700 -0.044 0.000 2.359 23 S HA -0.147 4.325 4.470 0.003 0.000 0.224 23 S C 2.330 176.912 174.600 -0.031 0.000 1.035 23 S CA 1.085 59.266 58.200 -0.033 0.000 1.018 23 S CB -0.318 62.876 63.200 -0.010 0.000 0.876 23 S HN 0.383 nan 8.310 nan 0.000 0.448 24 I N 1.545 122.094 120.570 -0.036 0.000 2.202 24 I HA -0.035 4.137 4.170 0.003 0.000 0.242 24 I C 2.779 178.867 176.117 -0.049 0.000 1.091 24 I CA 1.456 62.728 61.300 -0.047 0.000 1.368 24 I CB -2.123 35.842 38.000 -0.058 0.000 1.058 24 I HN 0.442 nan 8.210 nan 0.000 0.410 25 G N 1.112 109.887 108.800 -0.042 0.000 2.440 25 G HA2 -0.280 3.682 3.960 0.003 0.000 0.218 25 G HA3 -0.280 3.682 3.960 0.003 0.000 0.218 25 G C 1.725 176.603 174.900 -0.038 0.000 1.154 25 G CA 1.773 46.849 45.100 -0.039 0.000 0.767 25 G HN 0.483 nan 8.290 nan 0.000 0.552 26 T N -0.969 113.563 114.554 -0.036 0.000 2.737 26 T HA -0.107 4.245 4.350 0.003 0.000 0.265 26 T C 2.261 176.943 174.700 -0.029 0.000 1.038 26 T CA 1.551 63.633 62.100 -0.031 0.000 1.144 26 T CB -0.420 68.427 68.868 -0.036 0.000 0.866 26 T HN 0.390 nan 8.240 nan 0.000 0.434 27 Q N 1.141 120.923 119.800 -0.031 0.000 2.124 27 Q HA 0.036 4.378 4.340 0.003 0.000 0.202 27 Q C 2.833 178.806 176.000 -0.045 0.000 0.977 27 Q CA 1.414 57.199 55.803 -0.029 0.000 0.850 27 Q CB -0.510 28.213 28.738 -0.024 0.000 0.901 27 Q HN 0.725 nan 8.270 nan 0.000 0.429 28 A N 0.990 123.772 122.820 -0.063 0.000 1.908 28 A HA -0.175 4.147 4.320 0.003 0.000 0.218 28 A C 2.058 179.585 177.584 -0.095 0.000 1.181 28 A CA 1.188 53.166 52.037 -0.099 0.000 0.627 28 A CB -0.705 18.231 19.000 -0.107 0.000 0.818 28 A HN 0.299 nan 8.150 nan 0.000 0.445 29 L N -1.082 120.106 121.223 -0.058 0.000 2.141 29 L HA -0.238 4.104 4.340 0.003 0.000 0.209 29 L C 2.858 179.718 176.870 -0.017 0.000 1.094 29 L CA 1.427 56.246 54.840 -0.035 0.000 0.763 29 L CB -0.601 41.447 42.059 -0.019 0.000 0.908 29 L HN 0.500 nan 8.230 nan 0.000 0.437 30 Q N -0.521 119.270 119.800 -0.016 0.000 2.050 30 Q HA -0.177 4.165 4.340 0.003 0.000 0.202 30 Q C 2.385 178.391 176.000 0.011 0.000 0.980 30 Q CA 1.531 57.334 55.803 0.000 0.000 0.840 30 Q CB -0.147 28.591 28.738 -0.000 0.000 0.898 30 Q HN 0.331 nan 8.270 nan 0.000 0.424 31 V N 0.999 120.907 119.914 -0.010 0.000 2.287 31 V HA -0.288 3.834 4.120 0.003 0.000 0.248 31 V C 2.114 178.242 176.094 0.056 0.000 1.053 31 V CA 1.744 64.047 62.300 0.005 0.000 1.027 31 V CB -0.482 31.301 31.823 -0.066 0.000 0.646 31 V HN 0.362 nan 8.190 nan 0.000 0.447 32 I N 0.321 120.886 120.570 -0.009 0.000 2.226 32 I HA -0.222 3.950 4.170 0.003 0.000 0.245 32 I C 2.629 178.824 176.117 0.130 0.000 1.100 32 I CA 1.425 62.779 61.300 0.090 0.000 1.374 32 I CB -0.563 37.434 38.000 -0.004 0.000 1.057 32 I HN 0.283 nan 8.210 nan 0.000 0.413 33 A N 0.408 123.270 122.820 0.071 0.000 1.898 33 A HA -0.222 4.101 4.320 0.003 0.000 0.216 33 A C 1.921 179.546 177.584 0.068 0.000 1.181 33 A CA 1.939 54.013 52.037 0.061 0.000 0.620 33 A CB -0.536 18.486 19.000 0.037 0.000 0.819 33 A HN 0.322 nan 8.150 nan 0.000 0.442 34 D N 0.221 120.664 120.400 0.073 0.000 2.264 34 D HA -0.049 4.594 4.640 0.003 0.000 0.208 34 D C 0.148 176.499 176.300 0.086 0.000 0.966 34 D CA 0.780 54.822 54.000 0.070 0.000 0.864 34 D CB -0.147 40.693 40.800 0.066 0.000 0.933 34 D HN 0.409 nan 8.370 nan 0.000 0.499 35 N N 0.567 119.348 118.700 0.136 0.000 2.696 35 N HA 0.099 4.841 4.740 0.003 0.000 0.308 35 N C -2.056 173.516 175.510 0.103 0.000 1.915 35 N CA -0.860 52.269 53.050 0.131 0.000 0.906 35 N CB 1.925 40.546 38.487 0.223 0.000 1.284 35 N HN 0.090 nan 8.380 nan 0.000 0.488 36 P HA -0.066 nan 4.420 nan 0.000 0.222 36 P C 0.473 177.775 177.300 0.002 0.000 1.147 36 P CA 1.118 64.249 63.100 0.051 0.000 0.790 36 P CB 0.510 32.233 31.700 0.038 0.000 0.780 37 D N -0.978 119.401 120.400 -0.035 0.000 2.347 37 D HA -0.059 4.583 4.640 0.003 0.000 0.215 37 D C 2.065 178.276 176.300 -0.149 0.000 0.976 37 D CA 0.691 54.650 54.000 -0.069 0.000 0.884 37 D CB -0.094 40.671 40.800 -0.059 0.000 0.915 37 D HN 0.100 nan 8.370 nan 0.000 0.526 38 R N -0.984 119.355 120.500 -0.269 0.000 2.221 38 R HA 0.221 4.563 4.340 0.003 0.000 0.195 38 R C -0.306 175.589 176.300 -0.675 0.000 0.956 38 R CA 0.467 56.218 56.100 -0.581 0.000 1.064 38 R CB 0.382 30.117 30.300 -0.940 0.000 1.049 38 R HN -0.059 nan 8.270 nan 0.000 0.534 39 F N 0.360 120.318 119.950 0.013 0.000 2.577 39 F HA 0.417 4.947 4.527 0.006 0.000 0.318 39 F C -0.644 175.164 175.800 0.013 0.000 1.065 39 F CA -1.155 56.853 58.000 0.014 0.000 0.929 39 F CB 2.032 41.041 39.000 0.016 0.000 1.237 39 F HN -0.036 nan 8.300 nan 0.000 0.468 40 E N 0.109 120.437 120.200 0.214 0.000 2.292 40 E HA 0.629 4.981 4.350 0.003 0.000 0.272 40 E C -1.910 174.751 176.600 0.100 0.000 0.881 40 E CA -1.076 55.400 56.400 0.127 0.000 0.754 40 E CB 2.178 31.926 29.700 0.080 0.000 1.201 40 E HN 0.340 nan 8.360 nan 0.000 0.425 41 V N 3.175 123.131 119.914 0.070 0.000 2.508 41 V HA 0.105 4.227 4.120 0.003 0.000 0.281 41 V C 0.933 177.053 176.094 0.043 0.000 1.041 41 V CA -0.025 62.301 62.300 0.044 0.000 1.016 41 V CB 0.876 32.717 31.823 0.030 0.000 0.984 41 V HN 0.749 nan 8.190 nan 0.000 0.478 42 V N 1.165 121.103 119.914 0.039 0.000 3.346 42 V HA 0.781 4.903 4.120 0.003 0.000 0.309 42 V C 0.532 176.650 176.094 0.040 0.000 1.457 42 V CA 0.474 62.798 62.300 0.040 0.000 1.069 42 V CB 0.227 32.074 31.823 0.040 0.000 0.944 42 V HN 1.026 nan 8.190 nan 0.000 0.449 43 G N 0.441 109.261 108.800 0.034 0.000 2.691 43 G HA2 0.617 4.579 3.960 0.003 0.000 0.298 43 G HA3 0.617 4.579 3.960 0.003 0.000 0.298 43 G C -1.847 173.068 174.900 0.025 0.000 1.471 43 G CA -0.665 44.457 45.100 0.036 0.000 0.912 43 G HN 0.237 nan 8.290 nan 0.000 0.553 44 L N 0.659 121.904 121.223 0.036 0.000 2.422 44 L HA 0.878 5.220 4.340 0.003 0.000 0.264 44 L C 0.054 176.946 176.870 0.036 0.000 0.984 44 L CA -1.058 53.799 54.840 0.029 0.000 0.819 44 L CB 2.449 44.528 42.059 0.034 0.000 1.330 44 L HN 0.871 nan 8.230 nan 0.000 0.410 45 A N 2.108 124.942 122.820 0.022 0.000 2.422 45 A HA 0.979 5.301 4.320 0.003 0.000 0.302 45 A C -1.075 176.526 177.584 0.028 0.000 1.041 45 A CA -0.278 51.775 52.037 0.027 0.000 0.708 45 A CB 1.910 20.911 19.000 0.002 0.000 1.257 45 A HN 0.816 nan 8.150 nan 0.000 0.414 46 A N 0.697 123.541 122.820 0.041 0.000 2.556 46 A HA 0.757 5.079 4.320 0.003 0.000 0.294 46 A C 0.844 178.454 177.584 0.044 0.000 1.091 46 A CA -0.014 52.051 52.037 0.046 0.000 0.704 46 A CB 0.942 19.975 19.000 0.056 0.000 1.300 46 A HN 1.774 nan 8.150 nan 0.000 0.406 47 G N -0.358 108.467 108.800 0.042 0.000 2.396 47 G HA2 0.391 4.353 3.960 0.003 0.000 0.214 47 G HA3 0.391 4.353 3.960 0.003 0.000 0.214 47 G C 1.140 176.051 174.900 0.017 0.000 1.166 47 G CA 1.069 46.185 45.100 0.027 0.000 0.793 47 G HN 2.419 nan 8.290 nan 0.000 0.533 48 G N -1.409 107.397 108.800 0.009 0.000 2.164 48 G HA2 0.149 4.111 3.960 0.003 0.000 0.154 48 G HA3 0.149 4.111 3.960 0.003 0.000 0.154 48 G C 0.976 175.833 174.900 -0.071 0.000 1.014 48 G CA 0.850 45.945 45.100 -0.009 0.000 0.683 48 G HN 1.079 nan 8.290 nan 0.000 0.500 49 A N -0.319 122.418 122.820 -0.138 0.000 2.030 49 A HA 0.472 4.794 4.320 0.003 0.000 0.215 49 A C 0.955 178.237 177.584 -0.504 0.000 1.164 49 A CA 1.403 53.236 52.037 -0.340 0.000 0.697 49 A CB -0.027 18.702 19.000 -0.452 0.000 0.827 49 A HN 0.651 nan 8.150 nan 0.000 0.457 50 H N -0.396 118.673 119.070 -0.001 0.000 2.317 50 H HA 0.430 4.992 4.556 0.011 0.000 0.231 50 H C 0.666 175.997 175.328 0.004 0.000 1.442 50 H CA -0.369 55.679 56.048 0.000 0.000 1.336 50 H CB 0.360 30.123 29.762 0.002 0.000 1.533 50 H HN 0.195 nan 8.280 nan 0.000 0.522 51 L N 0.514 121.772 121.223 0.058 0.000 2.201 51 L HA -0.166 4.176 4.340 0.003 0.000 0.212 51 L C 1.953 178.853 176.870 0.050 0.000 1.105 51 L CA 1.030 55.896 54.840 0.044 0.000 0.775 51 L CB -0.167 41.904 42.059 0.019 0.000 0.913 51 L HN 0.642 nan 8.230 nan 0.000 0.440 52 D N -0.702 119.732 120.400 0.057 0.000 2.104 52 D HA -0.202 4.440 4.640 0.003 0.000 0.194 52 D C 1.782 178.109 176.300 0.045 0.000 0.994 52 D CA 2.060 56.088 54.000 0.047 0.000 0.830 52 D CB -0.661 40.168 40.800 0.048 0.000 0.959 52 D HN 0.244 nan 8.370 nan 0.000 0.452 53 T N 1.078 115.668 114.554 0.060 0.000 2.777 53 T HA -0.093 4.259 4.350 0.003 0.000 0.266 53 T C 1.996 176.718 174.700 0.037 0.000 1.040 53 T CA 0.773 62.897 62.100 0.039 0.000 1.141 53 T CB -0.401 68.484 68.868 0.030 0.000 0.868 53 T HN 0.037 nan 8.240 nan 0.000 0.444 54 L N 1.130 122.383 121.223 0.050 0.000 2.012 54 L HA 0.009 4.351 4.340 0.003 0.000 0.210 54 L C 2.186 179.077 176.870 0.034 0.000 1.073 54 L CA 1.556 56.421 54.840 0.043 0.000 0.748 54 L CB -0.768 41.321 42.059 0.050 0.000 0.891 54 L HN 0.240 nan 8.230 nan 0.000 0.431 55 L N -0.764 120.478 121.223 0.032 0.000 2.042 55 L HA -0.267 4.075 4.340 0.003 0.000 0.210 55 L C 2.796 179.680 176.870 0.022 0.000 1.076 55 L CA 1.853 56.708 54.840 0.026 0.000 0.749 55 L CB -0.621 41.452 42.059 0.023 0.000 0.893 55 L HN 0.326 nan 8.230 nan 0.000 0.432 56 R N 0.002 120.515 120.500 0.022 0.000 2.081 56 R HA -0.185 4.157 4.340 0.003 0.000 0.235 56 R C 2.318 178.629 176.300 0.018 0.000 1.131 56 R CA 1.460 57.571 56.100 0.018 0.000 0.960 56 R CB -0.085 30.225 30.300 0.016 0.000 0.856 56 R HN 0.441 nan 8.270 nan 0.000 0.436 57 Q N -0.232 119.580 119.800 0.019 0.000 2.084 57 Q HA -0.206 4.136 4.340 0.003 0.000 0.202 57 Q C 2.223 178.235 176.000 0.022 0.000 0.978 57 Q CA 1.725 57.539 55.803 0.019 0.000 0.844 57 Q CB -0.184 28.565 28.738 0.019 0.000 0.898 57 Q HN 0.309 nan 8.270 nan 0.000 0.426 58 R N 0.634 121.148 120.500 0.024 0.000 2.083 58 R HA -0.174 4.168 4.340 0.003 0.000 0.237 58 R C 2.175 178.487 176.300 0.021 0.000 1.137 58 R CA 1.471 57.586 56.100 0.025 0.000 0.951 58 R CB -0.303 30.012 30.300 0.025 0.000 0.851 58 R HN 0.243 nan 8.270 nan 0.000 0.434 59 A N 0.401 123.232 122.820 0.019 0.000 1.902 59 A HA -0.186 4.136 4.320 0.003 0.000 0.217 59 A C 2.064 179.658 177.584 0.017 0.000 1.181 59 A CA 1.482 53.529 52.037 0.017 0.000 0.623 59 A CB -0.413 18.596 19.000 0.015 0.000 0.818 59 A HN 0.528 nan 8.150 nan 0.000 0.443 60 Q N -0.933 118.878 119.800 0.017 0.000 2.096 60 Q HA -0.096 4.246 4.340 0.003 0.000 0.197 60 Q C 2.297 178.309 176.000 0.020 0.000 0.964 60 Q CA 1.859 57.672 55.803 0.018 0.000 0.838 60 Q CB -0.235 28.512 28.738 0.016 0.000 0.906 60 Q HN 0.870 nan 8.270 nan 0.000 0.444 61 T N -3.860 110.707 114.554 0.022 0.000 3.035 61 T HA 0.175 4.527 4.350 0.003 0.000 0.259 61 T C 1.504 176.220 174.700 0.026 0.000 1.078 61 T CA 0.694 62.809 62.100 0.025 0.000 1.132 61 T CB 0.276 69.160 68.868 0.026 0.000 0.900 61 T HN 0.431 nan 8.240 nan 0.000 0.480 62 G N 0.804 109.618 108.800 0.024 0.000 2.143 62 G HA2 -0.218 3.744 3.960 0.003 0.000 0.249 62 G HA3 -0.218 3.744 3.960 0.003 0.000 0.249 62 G C 0.065 174.981 174.900 0.026 0.000 0.981 62 G CA 0.015 45.129 45.100 0.023 0.000 0.665 62 G HN 0.736 nan 8.290 nan 0.000 0.528 63 V N 1.941 121.872 119.914 0.029 0.000 2.427 63 V HA 0.435 4.557 4.120 0.003 0.000 0.268 63 V C 1.656 177.772 176.094 0.037 0.000 1.046 63 V CA 0.969 63.291 62.300 0.035 0.000 0.970 63 V CB 1.037 32.883 31.823 0.038 0.000 1.001 63 V HN 0.630 nan 8.190 nan 0.000 0.476 64 T N 0.684 115.261 114.554 0.038 0.000 3.014 64 T HA 0.039 4.391 4.350 0.003 0.000 0.250 64 T C 0.969 175.700 174.700 0.051 0.000 1.060 64 T CA -0.076 62.045 62.100 0.035 0.000 1.040 64 T CB -0.254 68.627 68.868 0.022 0.000 0.971 64 T HN 0.429 nan 8.240 nan 0.000 0.497 65 N N 1.869 120.612 118.700 0.071 0.000 2.744 65 N HA 0.238 4.980 4.740 0.003 0.000 0.290 65 N C -1.013 174.587 175.510 0.150 0.000 1.206 65 N CA -0.175 52.949 53.050 0.123 0.000 1.119 65 N CB -0.900 37.660 38.487 0.121 0.000 1.449 65 N HN 0.527 nan 8.380 nan 0.000 0.514 66 I N 0.697 121.366 120.570 0.165 0.000 2.646 66 I HA 0.583 4.755 4.170 0.003 0.000 0.299 66 I C -0.264 175.996 176.117 0.238 0.000 1.036 66 I CA -1.259 60.133 61.300 0.153 0.000 1.074 66 I CB 2.082 40.139 38.000 0.095 0.000 1.258 66 I HN 0.265 nan 8.210 nan 0.000 0.430 67 A N 5.125 128.053 122.820 0.181 0.000 2.342 67 A HA 0.840 5.162 4.320 0.003 0.000 0.323 67 A C -1.107 176.551 177.584 0.124 0.000 1.125 67 A CA -0.510 51.640 52.037 0.188 0.000 0.785 67 A CB 1.466 20.522 19.000 0.094 0.000 1.221 67 A HN 0.407 nan 8.150 nan 0.000 0.463 68 V N 2.303 122.301 119.914 0.139 0.000 2.483 68 V HA 0.496 4.618 4.120 0.003 0.000 0.297 68 V C 1.122 177.278 176.094 0.104 0.000 1.027 68 V CA 0.116 62.479 62.300 0.105 0.000 0.855 68 V CB 1.116 32.998 31.823 0.097 0.000 0.995 68 V HN 1.219 nan 8.190 nan 0.000 0.424 69 A N 3.324 126.187 122.820 0.070 0.000 1.845 69 A HA -0.086 4.236 4.320 0.003 0.000 0.215 69 A C 1.096 178.722 177.584 0.069 0.000 1.195 69 A CA 1.454 53.526 52.037 0.058 0.000 0.616 69 A CB -0.306 18.715 19.000 0.035 0.000 0.832 69 A HN 0.847 nan 8.150 nan 0.000 0.443 70 D N -0.352 120.086 120.400 0.063 0.000 2.383 70 D HA 0.153 4.795 4.640 0.003 0.000 0.252 70 D C 0.936 177.296 176.300 0.101 0.000 1.166 70 D CA -0.056 53.987 54.000 0.072 0.000 0.879 70 D CB 0.602 41.433 40.800 0.052 0.000 1.164 70 D HN 0.252 nan 8.370 nan 0.000 0.462 71 E N 2.351 122.616 120.200 0.108 0.000 2.204 71 E HA -0.194 4.158 4.350 0.003 0.000 0.194 71 E C 1.276 177.920 176.600 0.073 0.000 0.989 71 E CA 0.725 57.186 56.400 0.102 0.000 0.824 71 E CB -0.127 29.630 29.700 0.095 0.000 0.756 71 E HN 0.712 nan 8.360 nan 0.000 0.477 72 H N 0.490 119.563 119.070 0.006 0.000 2.276 72 H HA -0.043 4.516 4.556 0.004 0.000 0.301 72 H C 2.091 177.411 175.328 -0.013 0.000 1.073 72 H CA 1.680 57.724 56.048 -0.008 0.000 1.311 72 H CB 0.161 29.919 29.762 -0.007 0.000 1.379 72 H HN 0.160 nan 8.280 nan 0.000 0.494 73 A N 0.748 123.681 122.820 0.188 0.000 1.940 73 A HA -0.157 4.165 4.320 0.003 0.000 0.219 73 A C 2.479 180.103 177.584 0.067 0.000 1.176 73 A CA 1.572 53.665 52.037 0.093 0.000 0.631 73 A CB -1.139 17.885 19.000 0.040 0.000 0.814 73 A HN 0.613 nan 8.150 nan 0.000 0.446 74 A N -0.232 122.622 122.820 0.058 0.000 2.015 74 A HA -0.121 4.201 4.320 0.003 0.000 0.219 74 A C 2.116 179.675 177.584 -0.041 0.000 1.163 74 A CA 1.973 54.020 52.037 0.017 0.000 0.646 74 A CB -0.440 18.580 19.000 0.034 0.000 0.806 74 A HN 0.705 nan 8.150 nan 0.000 0.448 75 Q N 0.357 120.134 119.800 -0.039 0.000 2.046 75 Q HA -0.126 4.216 4.340 0.003 0.000 0.200 75 Q C 1.982 177.967 176.000 -0.025 0.000 0.975 75 Q CA 2.003 57.765 55.803 -0.069 0.000 0.836 75 Q CB -0.457 28.221 28.738 -0.099 0.000 0.896 75 Q HN 0.622 nan 8.270 nan 0.000 0.428 76 R N 0.052 120.568 120.500 0.027 0.000 2.070 76 R HA -0.076 4.266 4.340 0.003 0.000 0.233 76 R C 2.436 178.745 176.300 0.015 0.000 1.137 76 R CA 1.622 57.743 56.100 0.035 0.000 0.945 76 R CB -0.831 29.509 30.300 0.067 0.000 0.845 76 R HN 0.174 nan 8.270 nan 0.000 0.430 77 V N 0.266 120.190 119.914 0.016 0.000 2.282 77 V HA -0.131 3.991 4.120 0.003 0.000 0.249 77 V C 1.240 177.334 176.094 0.001 0.000 1.057 77 V CA 1.742 64.050 62.300 0.013 0.000 1.032 77 V CB -1.206 30.630 31.823 0.021 0.000 0.645 77 V HN 0.778 nan 8.190 nan 0.000 0.447 78 G N 0.875 109.666 108.800 -0.015 0.000 2.719 78 G HA2 -0.082 3.880 3.960 0.003 0.000 0.686 78 G HA3 -0.082 3.880 3.960 0.003 0.000 0.686 78 G C -0.088 174.797 174.900 -0.024 0.000 1.201 78 G CA -0.097 44.988 45.100 -0.026 0.000 0.768 78 G HN 1.131 nan 8.290 nan 0.000 0.629 79 D N -0.319 120.059 120.400 -0.036 0.000 2.827 79 D HA -0.228 4.414 4.640 0.003 0.000 0.217 79 D C 0.393 176.678 176.300 -0.024 0.000 1.233 79 D CA 1.010 54.989 54.000 -0.035 0.000 0.618 79 D CB -0.794 39.990 40.800 -0.027 0.000 0.984 79 D HN 0.703 nan 8.370 nan 0.000 0.399 80 I N 1.577 122.134 120.570 -0.021 0.000 2.363 80 I HA 0.076 4.248 4.170 0.003 0.000 0.292 80 I C -0.718 175.412 176.117 0.023 0.000 1.075 80 I CA -2.051 59.261 61.300 0.020 0.000 1.333 80 I CB 0.684 38.713 38.000 0.049 0.000 1.415 80 I HN 0.048 nan 8.210 nan 0.000 0.502 81 P HA -0.083 nan 4.420 nan 0.000 0.226 81 P C -0.556 176.423 177.300 -0.535 0.000 1.153 81 P CA 1.143 64.049 63.100 -0.324 0.000 0.777 81 P CB 0.132 31.536 31.700 -0.494 0.000 0.794 82 Y N -0.051 120.323 120.300 0.123 0.000 2.331 82 Y HA 0.412 4.964 4.550 0.003 0.000 0.326 82 Y C 0.313 176.271 175.900 0.097 0.000 1.020 82 Y CA -1.099 57.025 58.100 0.039 0.000 1.136 82 Y CB 1.311 39.773 38.460 0.004 0.000 1.157 82 Y HN 0.015 nan 8.280 nan 0.000 0.444 83 H N 0.469 119.620 119.070 0.135 0.000 2.894 83 H HA 0.908 5.466 4.556 0.003 0.000 0.367 83 H C 0.019 175.387 175.328 0.067 0.000 1.144 83 H CA -1.157 54.940 56.048 0.081 0.000 1.180 83 H CB 2.143 31.932 29.762 0.045 0.000 1.758 83 H HN 0.938 nan 8.280 nan 0.000 0.541 84 G N 0.250 109.120 108.800 0.116 0.000 2.462 84 G HA2 -0.077 3.885 3.960 0.003 0.000 0.685 84 G HA3 -0.077 3.885 3.960 0.003 0.000 0.685 84 G C 0.570 175.492 174.900 0.036 0.000 1.295 84 G CA -0.220 44.913 45.100 0.056 0.000 0.941 84 G HN 1.242 nan 8.290 nan 0.000 0.554 85 S N -0.865 114.847 115.700 0.021 0.000 2.522 85 S HA 0.046 4.518 4.470 0.003 0.000 0.227 85 S C 1.365 175.964 174.600 -0.002 0.000 0.986 85 S CA 1.727 59.934 58.200 0.011 0.000 0.929 85 S CB 0.036 63.241 63.200 0.009 0.000 0.769 85 S HN 1.102 nan 8.310 nan 0.000 0.529 86 D N 0.937 121.332 120.400 -0.009 0.000 2.369 86 D HA 0.358 5.000 4.640 0.003 0.000 0.211 86 D C 1.586 177.865 176.300 -0.035 0.000 1.077 86 D CA 0.484 54.470 54.000 -0.023 0.000 0.842 86 D CB -0.072 40.714 40.800 -0.023 0.000 0.947 86 D HN 0.387 nan 8.370 nan 0.000 0.509 87 A N 1.466 124.278 122.820 -0.012 0.000 1.892 87 A HA -0.036 4.286 4.320 0.003 0.000 0.218 87 A C 2.450 179.977 177.584 -0.095 0.000 1.188 87 A CA 2.432 54.472 52.037 0.004 0.000 0.631 87 A CB -0.959 18.091 19.000 0.084 0.000 0.822 87 A HN 0.357 nan 8.150 nan 0.000 0.447 88 A N -1.240 121.540 122.820 -0.066 0.000 1.902 88 A HA -0.085 4.238 4.320 0.003 0.000 0.217 88 A C 2.315 179.819 177.584 -0.133 0.000 1.181 88 A CA 2.340 54.322 52.037 -0.092 0.000 0.623 88 A CB -1.332 17.639 19.000 -0.048 0.000 0.818 88 A HN 0.453 nan 8.150 nan 0.000 0.443 89 T N -0.244 114.246 114.554 -0.106 0.000 2.746 89 T HA -0.148 4.204 4.350 0.003 0.000 0.267 89 T C 2.052 176.662 174.700 -0.149 0.000 1.039 89 T CA 1.619 63.657 62.100 -0.103 0.000 1.142 89 T CB -0.238 68.590 68.868 -0.068 0.000 0.866 89 T HN 0.515 nan 8.240 nan 0.000 0.444 90 R N 0.270 120.654 120.500 -0.193 0.000 2.090 90 R HA 0.078 4.420 4.340 0.003 0.000 0.228 90 R C 2.462 178.447 176.300 -0.524 0.000 1.110 90 R CA 0.779 56.726 56.100 -0.255 0.000 0.973 90 R CB -0.582 29.627 30.300 -0.152 0.000 0.869 90 R HN 0.267 nan 8.270 nan 0.000 0.440 91 L N 0.852 121.602 121.223 -0.789 0.000 2.042 91 L HA -0.172 4.170 4.340 0.003 0.000 0.210 91 L C 2.038 178.701 176.870 -0.344 0.000 1.076 91 L CA 1.570 55.910 54.840 -0.833 0.000 0.749 91 L CB -0.200 41.522 42.059 -0.561 0.000 0.893 91 L HN -0.103 nan 8.230 nan 0.000 0.432 92 V N -0.246 119.531 119.914 -0.229 0.000 2.307 92 V HA -0.253 3.869 4.120 0.003 0.000 0.245 92 V C 2.440 178.474 176.094 -0.101 0.000 1.045 92 V CA 2.000 64.224 62.300 -0.128 0.000 1.024 92 V CB -0.650 31.114 31.823 -0.097 0.000 0.651 92 V HN 0.497 nan 8.190 nan 0.000 0.449 93 E N -0.367 119.767 120.200 -0.110 0.000 2.267 93 E HA -0.257 4.095 4.350 0.003 0.000 0.197 93 E C 2.016 178.587 176.600 -0.048 0.000 0.998 93 E CA 1.188 57.546 56.400 -0.070 0.000 0.830 93 E CB -0.041 29.620 29.700 -0.066 0.000 0.751 93 E HN 0.668 nan 8.360 nan 0.000 0.491 94 Q N -0.695 119.067 119.800 -0.063 0.000 2.214 94 Q HA 0.095 4.437 4.340 0.003 0.000 0.229 94 Q C -0.313 175.697 176.000 0.017 0.000 0.835 94 Q CA 0.112 55.914 55.803 -0.003 0.000 0.953 94 Q CB 1.468 30.238 28.738 0.054 0.000 1.131 94 Q HN -0.009 nan 8.270 nan 0.000 0.501 95 T N 1.636 116.184 114.554 -0.011 0.000 2.744 95 T HA 0.186 4.538 4.350 0.003 0.000 0.291 95 T C -0.354 174.350 174.700 0.007 0.000 0.957 95 T CA -0.341 61.766 62.100 0.011 0.000 1.002 95 T CB 1.249 70.119 68.868 0.004 0.000 0.919 95 T HN 0.050 nan 8.240 nan 0.000 0.468 96 E N 1.973 122.183 120.200 0.018 0.000 2.351 96 E HA 0.417 4.769 4.350 0.003 0.000 0.266 96 E C -0.241 176.370 176.600 0.018 0.000 1.031 96 E CA -0.211 56.198 56.400 0.016 0.000 0.911 96 E CB 0.440 30.152 29.700 0.019 0.000 0.986 96 E HN 0.758 nan 8.360 nan 0.000 0.446 97 A N 3.654 126.484 122.820 0.016 0.000 2.606 97 A HA 0.285 4.607 4.320 0.003 0.000 0.293 97 A C -0.370 177.228 177.584 0.024 0.000 1.082 97 A CA -0.732 51.318 52.037 0.021 0.000 0.685 97 A CB 1.439 20.447 19.000 0.014 0.000 1.284 97 A HN 0.601 nan 8.150 nan 0.000 0.408 98 D N -0.584 119.839 120.400 0.038 0.000 2.379 98 D HA 0.224 4.866 4.640 0.003 0.000 0.218 98 D C -0.045 176.282 176.300 0.045 0.000 1.006 98 D CA 1.249 55.276 54.000 0.044 0.000 0.893 98 D CB 0.895 41.731 40.800 0.060 0.000 1.019 98 D HN 0.231 nan 8.370 nan 0.000 0.503 99 V N 1.468 121.409 119.914 0.045 0.000 2.686 99 V HA 0.299 4.421 4.120 0.003 0.000 0.306 99 V C -0.410 175.688 176.094 0.007 0.000 1.065 99 V CA -0.833 61.487 62.300 0.033 0.000 0.894 99 V CB 2.978 34.837 31.823 0.060 0.000 1.004 99 V HN -0.259 nan 8.190 nan 0.000 0.424 100 V N 5.360 125.266 119.914 -0.012 0.000 2.378 100 V HA 0.420 4.542 4.120 0.003 0.000 0.288 100 V C -0.355 175.715 176.094 -0.040 0.000 1.016 100 V CA -0.500 61.783 62.300 -0.028 0.000 0.840 100 V CB 1.585 33.388 31.823 -0.034 0.000 0.994 100 V HN 0.700 nan 8.190 nan 0.000 0.431 101 L N 5.447 126.642 121.223 -0.047 0.000 2.295 101 L HA 0.484 4.826 4.340 0.003 0.000 0.288 101 L C 0.208 177.047 176.870 -0.053 0.000 1.079 101 L CA 0.397 55.202 54.840 -0.057 0.000 0.830 101 L CB 0.548 42.564 42.059 -0.070 0.000 1.200 101 L HN 0.596 nan 8.230 nan 0.000 0.438 102 N N 4.372 123.039 118.700 -0.055 0.000 2.558 102 N HA 0.387 5.129 4.740 0.003 0.000 0.233 102 N C -0.095 175.385 175.510 -0.050 0.000 1.038 102 N CA 0.215 53.235 53.050 -0.050 0.000 0.934 102 N CB 1.421 39.877 38.487 -0.053 0.000 1.175 102 N HN 0.698 nan 8.380 nan 0.000 0.512 103 A N 4.564 127.359 122.820 -0.042 0.000 2.594 103 A HA 0.301 4.623 4.320 0.003 0.000 0.287 103 A C 0.515 178.084 177.584 -0.025 0.000 1.227 103 A CA -0.379 51.635 52.037 -0.039 0.000 0.952 103 A CB -0.148 18.827 19.000 -0.042 0.000 1.161 103 A HN 0.577 nan 8.150 nan 0.000 0.524 104 L N 0.049 121.258 121.223 -0.023 0.000 2.464 104 L HA 0.252 4.594 4.340 0.003 0.000 0.264 104 L C -0.058 176.806 176.870 -0.011 0.000 1.199 104 L CA -0.316 54.516 54.840 -0.013 0.000 0.818 104 L CB 1.035 43.085 42.059 -0.015 0.000 1.102 104 L HN 0.053 nan 8.230 nan 0.000 0.473 105 V N 1.333 121.246 119.914 -0.002 0.000 2.472 105 V HA 0.669 4.791 4.120 0.003 0.000 0.290 105 V C 0.756 176.850 176.094 -0.001 0.000 1.037 105 V CA 0.260 62.561 62.300 0.002 0.000 0.908 105 V CB 0.638 32.469 31.823 0.012 0.000 0.985 105 V HN 1.060 nan 8.190 nan 0.000 0.454 106 G N 4.263 113.063 108.800 -0.002 0.000 2.569 106 G HA2 -0.048 3.914 3.960 0.003 0.000 0.259 106 G HA3 -0.048 3.914 3.960 0.003 0.000 0.259 106 G C 0.935 175.830 174.900 -0.008 0.000 1.263 106 G CA 0.232 45.330 45.100 -0.003 0.000 0.928 106 G HN 1.582 nan 8.290 nan 0.000 0.572 107 A N -0.621 122.192 122.820 -0.010 0.000 2.172 107 A HA 0.331 4.653 4.320 0.003 0.000 0.216 107 A C 2.543 180.118 177.584 -0.015 0.000 1.154 107 A CA 1.913 53.941 52.037 -0.014 0.000 0.701 107 A CB -0.391 18.599 19.000 -0.017 0.000 0.789 107 A HN 0.988 nan 8.150 nan 0.000 0.465 108 L N -0.968 120.248 121.223 -0.012 0.000 2.265 108 L HA -0.108 4.234 4.340 0.003 0.000 0.215 108 L C 2.538 179.397 176.870 -0.019 0.000 1.117 108 L CA 0.919 55.752 54.840 -0.013 0.000 0.782 108 L CB -0.576 41.478 42.059 -0.008 0.000 0.914 108 L HN 0.466 nan 8.230 nan 0.000 0.441 109 G N -0.139 108.648 108.800 -0.020 0.000 2.572 109 G HA2 -0.146 3.816 3.960 0.003 0.000 0.216 109 G HA3 -0.146 3.816 3.960 0.003 0.000 0.216 109 G C 1.523 176.404 174.900 -0.031 0.000 1.133 109 G CA 0.049 45.133 45.100 -0.027 0.000 0.791 109 G HN 0.180 nan 8.290 nan 0.000 0.538 110 L N 0.659 121.865 121.223 -0.028 0.000 1.994 110 L HA 0.094 4.436 4.340 0.003 0.000 0.208 110 L C 2.814 179.665 176.870 -0.032 0.000 1.071 110 L CA 1.736 56.559 54.840 -0.029 0.000 0.745 110 L CB -0.502 41.543 42.059 -0.025 0.000 0.892 110 L HN 0.094 nan 8.230 nan 0.000 0.431 111 R N -0.458 120.024 120.500 -0.030 0.000 2.075 111 R HA -0.092 4.250 4.340 0.003 0.000 0.232 111 R C -0.170 176.106 176.300 -0.040 0.000 1.126 111 R CA 1.682 57.763 56.100 -0.032 0.000 0.963 111 R CB -1.648 28.634 30.300 -0.029 0.000 0.858 111 R HN 0.407 nan 8.270 nan 0.000 0.435 112 P HA -0.108 nan 4.420 nan 0.000 0.216 112 P C 1.074 178.344 177.300 -0.050 0.000 1.150 112 P CA 1.427 64.496 63.100 -0.051 0.000 0.837 112 P CB -0.039 31.631 31.700 -0.051 0.000 0.786 113 T N -0.330 114.196 114.554 -0.047 0.000 2.684 113 T HA -0.132 4.220 4.350 0.003 0.000 0.267 113 T C 1.692 176.363 174.700 -0.049 0.000 1.036 113 T CA 1.243 63.313 62.100 -0.051 0.000 1.148 113 T CB -0.886 67.951 68.868 -0.052 0.000 0.863 113 T HN 0.059 nan 8.240 nan 0.000 0.436 114 L N 0.453 121.650 121.223 -0.043 0.000 2.109 114 L HA 0.022 4.364 4.340 0.003 0.000 0.207 114 L C 2.996 179.843 176.870 -0.038 0.000 1.086 114 L CA 0.945 55.762 54.840 -0.039 0.000 0.760 114 L CB -0.637 41.403 42.059 -0.033 0.000 0.910 114 L HN 0.210 nan 8.230 nan 0.000 0.437 115 A N 0.398 123.193 122.820 -0.041 0.000 1.873 115 A HA -0.262 4.060 4.320 0.003 0.000 0.218 115 A C 2.552 180.110 177.584 -0.043 0.000 1.193 115 A CA 2.087 54.098 52.037 -0.044 0.000 0.629 115 A CB -0.898 18.069 19.000 -0.055 0.000 0.826 115 A HN 0.397 nan 8.150 nan 0.000 0.447 116 A N -0.412 122.380 122.820 -0.046 0.000 1.908 116 A HA -0.082 4.240 4.320 0.003 0.000 0.218 116 A C 2.192 179.754 177.584 -0.038 0.000 1.181 116 A CA 1.634 53.646 52.037 -0.043 0.000 0.627 116 A CB -0.659 18.314 19.000 -0.046 0.000 0.818 116 A HN 0.498 nan 8.150 nan 0.000 0.445 117 L N -1.063 120.135 121.223 -0.041 0.000 2.093 117 L HA -0.155 4.187 4.340 0.003 0.000 0.208 117 L C 2.376 179.228 176.870 -0.031 0.000 1.085 117 L CA 1.534 56.351 54.840 -0.039 0.000 0.755 117 L CB -0.395 41.636 42.059 -0.046 0.000 0.904 117 L HN 0.321 nan 8.230 nan 0.000 0.435 118 K N -0.408 119.974 120.400 -0.030 0.000 2.442 118 K HA -0.096 4.226 4.320 0.003 0.000 0.198 118 K C 1.886 178.474 176.600 -0.021 0.000 1.042 118 K CA 1.508 57.781 56.287 -0.024 0.000 0.958 118 K CB -0.099 32.387 32.500 -0.024 0.000 0.766 118 K HN 0.455 nan 8.250 nan 0.000 0.474 119 T N -3.853 110.688 114.554 -0.022 0.000 3.065 119 T HA 0.159 4.511 4.350 0.003 0.000 0.252 119 T C 1.512 176.205 174.700 -0.012 0.000 1.099 119 T CA 0.510 62.599 62.100 -0.017 0.000 1.063 119 T CB 0.447 69.303 68.868 -0.020 0.000 0.948 119 T HN 0.285 nan 8.240 nan 0.000 0.506 120 G N 1.381 110.173 108.800 -0.014 0.000 2.199 120 G HA2 -0.094 3.868 3.960 0.003 0.000 0.254 120 G HA3 -0.094 3.868 3.960 0.003 0.000 0.254 120 G C 0.416 175.313 174.900 -0.005 0.000 0.982 120 G CA -0.028 45.066 45.100 -0.009 0.000 0.632 120 G HN 1.194 nan 8.290 nan 0.000 0.529 121 A N 0.247 123.063 122.820 -0.007 0.000 2.406 121 A HA 0.611 4.933 4.320 0.003 0.000 0.243 121 A C 0.940 178.520 177.584 -0.006 0.000 1.082 121 A CA 0.785 52.822 52.037 -0.001 0.000 0.786 121 A CB 0.157 19.155 19.000 -0.003 0.000 1.029 121 A HN 1.065 nan 8.150 nan 0.000 0.495 122 R N 0.473 120.977 120.500 0.007 0.000 2.570 122 R HA 0.236 4.578 4.340 0.003 0.000 0.277 122 R C -1.013 175.274 176.300 -0.022 0.000 1.039 122 R CA -0.231 55.869 56.100 -0.001 0.000 1.065 122 R CB 0.079 30.398 30.300 0.032 0.000 0.964 122 R HN 0.551 nan 8.270 nan 0.000 0.428 123 L N 4.768 125.962 121.223 -0.048 0.000 2.277 123 L HA 0.398 4.740 4.340 0.003 0.000 0.284 123 L C -0.762 176.061 176.870 -0.079 0.000 1.028 123 L CA -0.027 54.775 54.840 -0.062 0.000 0.835 123 L CB 1.199 43.213 42.059 -0.074 0.000 1.215 123 L HN 0.762 nan 8.230 nan 0.000 0.425 124 A N 5.488 128.269 122.820 -0.064 0.000 2.376 124 A HA 0.457 4.779 4.320 0.003 0.000 0.298 124 A C -0.646 176.888 177.584 -0.083 0.000 1.271 124 A CA -0.331 51.662 52.037 -0.073 0.000 0.926 124 A CB -0.207 18.760 19.000 -0.056 0.000 1.141 124 A HN 0.656 nan 8.150 nan 0.000 0.539 125 L N 3.503 124.665 121.223 -0.102 0.000 2.262 125 L HA 0.613 4.955 4.340 0.003 0.000 0.288 125 L C 0.857 177.673 176.870 -0.089 0.000 1.035 125 L CA 0.430 55.210 54.840 -0.100 0.000 0.820 125 L CB 1.060 43.044 42.059 -0.125 0.000 1.204 125 L HN 0.677 nan 8.230 nan 0.000 0.424 126 A N 3.968 126.743 122.820 -0.076 0.000 1.993 126 A HA 0.090 4.412 4.320 0.003 0.000 0.207 126 A C 1.040 178.590 177.584 -0.057 0.000 1.224 126 A CA 0.019 52.014 52.037 -0.070 0.000 0.749 126 A CB -0.296 18.661 19.000 -0.072 0.000 0.884 126 A HN 0.742 nan 8.150 nan 0.000 0.467 127 N N 0.983 119.652 118.700 -0.052 0.000 2.418 127 N HA -0.031 4.711 4.740 0.003 0.000 0.277 127 N C 0.515 176.001 175.510 -0.040 0.000 1.317 127 N CA 0.155 53.180 53.050 -0.040 0.000 0.922 127 N CB 0.471 38.935 38.487 -0.039 0.000 1.194 127 N HN 0.379 nan 8.380 nan 0.000 0.485 128 K N 2.863 123.249 120.400 -0.023 0.000 2.062 128 K HA -0.092 4.230 4.320 0.003 0.000 0.205 128 K C 1.444 178.040 176.600 -0.008 0.000 1.051 128 K CA 0.731 57.011 56.287 -0.012 0.000 0.941 128 K CB 0.115 32.627 32.500 0.021 0.000 0.719 128 K HN 0.579 nan 8.250 nan 0.000 0.440 129 E N 0.962 121.161 120.200 -0.002 0.000 2.114 129 E HA -0.219 4.133 4.350 0.003 0.000 0.199 129 E C 2.099 178.692 176.600 -0.012 0.000 1.008 129 E CA 1.987 58.387 56.400 0.000 0.000 0.810 129 E CB -0.099 29.598 29.700 -0.004 0.000 0.739 129 E HN 0.342 nan 8.360 nan 0.000 0.456 130 S N 0.126 115.810 115.700 -0.027 0.000 2.423 130 S HA -0.070 4.402 4.470 0.003 0.000 0.231 130 S C 2.099 176.673 174.600 -0.043 0.000 1.014 130 S CA 0.572 58.750 58.200 -0.035 0.000 0.965 130 S CB -0.214 62.960 63.200 -0.044 0.000 0.785 130 S HN 0.168 nan 8.310 nan 0.000 0.495 131 L N 0.547 121.739 121.223 -0.051 0.000 2.145 131 L HA 0.077 4.419 4.340 0.003 0.000 0.201 131 L C 2.614 179.470 176.870 -0.025 0.000 1.075 131 L CA 0.649 55.453 54.840 -0.060 0.000 0.773 131 L CB -0.358 41.637 42.059 -0.106 0.000 0.936 131 L HN 0.231 nan 8.230 nan 0.000 0.451 132 V N 0.218 120.129 119.914 -0.003 0.000 2.261 132 V HA -0.291 3.831 4.120 0.003 0.000 0.246 132 V C 2.654 178.770 176.094 0.036 0.000 1.047 132 V CA 2.018 64.338 62.300 0.033 0.000 1.015 132 V CB -0.894 30.969 31.823 0.067 0.000 0.642 132 V HN 0.489 nan 8.190 nan 0.000 0.446 133 A N 0.249 123.082 122.820 0.023 0.000 1.898 133 A HA 0.053 4.375 4.320 0.003 0.000 0.214 133 A C 2.388 179.974 177.584 0.004 0.000 1.183 133 A CA 1.588 53.633 52.037 0.013 0.000 0.622 133 A CB -1.133 17.867 19.000 -0.000 0.000 0.824 133 A HN 0.515 nan 8.150 nan 0.000 0.444 134 G N -1.007 107.790 108.800 -0.006 0.000 2.408 134 G HA2 0.274 4.236 3.960 0.003 0.000 0.217 134 G HA3 0.274 4.236 3.960 0.003 0.000 0.217 134 G C 1.393 176.289 174.900 -0.006 0.000 1.150 134 G CA 1.012 46.105 45.100 -0.011 0.000 0.776 134 G HN 1.487 nan 8.290 nan 0.000 0.542 135 G N 0.191 108.990 108.800 -0.003 0.000 2.634 135 G HA2 -0.350 3.613 3.960 0.003 0.000 0.309 135 G HA3 -0.350 3.613 3.960 0.003 0.000 0.309 135 G C 1.728 176.624 174.900 -0.007 0.000 1.265 135 G CA 2.253 47.358 45.100 0.008 0.000 0.998 135 G HN 1.414 nan 8.290 nan 0.000 0.551 136 S N -0.211 115.492 115.700 0.005 0.000 2.442 136 S HA 0.036 4.508 4.470 0.003 0.000 0.236 136 S C 2.400 176.993 174.600 -0.013 0.000 1.007 136 S CA 1.935 60.132 58.200 -0.006 0.000 0.965 136 S CB -0.095 63.109 63.200 0.008 0.000 0.773 136 S HN 1.316 nan 8.310 nan 0.000 0.504 137 L N 1.697 122.915 121.223 -0.008 0.000 2.046 137 L HA 0.023 4.365 4.340 0.003 0.000 0.208 137 L C 2.451 179.307 176.870 -0.024 0.000 1.077 137 L CA 1.437 56.270 54.840 -0.012 0.000 0.747 137 L CB -0.554 41.501 42.059 -0.005 0.000 0.896 137 L HN 0.208 nan 8.230 nan 0.000 0.432 138 V N -0.470 119.424 119.914 -0.032 0.000 2.358 138 V HA -0.270 3.852 4.120 0.003 0.000 0.246 138 V C 2.492 178.551 176.094 -0.057 0.000 1.047 138 V CA 1.827 64.099 62.300 -0.047 0.000 1.035 138 V CB -0.453 31.337 31.823 -0.055 0.000 0.658 138 V HN 0.416 nan 8.190 nan 0.000 0.452 139 L N -0.568 120.619 121.223 -0.060 0.000 2.046 139 L HA -0.170 4.172 4.340 0.003 0.000 0.208 139 L C 2.758 179.594 176.870 -0.057 0.000 1.077 139 L CA 1.601 56.398 54.840 -0.072 0.000 0.747 139 L CB -0.572 41.442 42.059 -0.075 0.000 0.896 139 L HN 0.240 nan 8.230 nan 0.000 0.432 140 R N -0.208 120.267 120.500 -0.041 0.000 2.148 140 R HA -0.085 4.257 4.340 0.003 0.000 0.227 140 R C 2.174 178.454 176.300 -0.033 0.000 1.103 140 R CA 1.118 57.199 56.100 -0.033 0.000 0.983 140 R CB -0.268 30.019 30.300 -0.023 0.000 0.874 140 R HN 0.325 nan 8.270 nan 0.000 0.451 141 A N 0.716 123.514 122.820 -0.036 0.000 2.169 141 A HA 0.257 4.579 4.320 0.003 0.000 0.212 141 A C 0.887 178.447 177.584 -0.041 0.000 1.153 141 A CA 0.476 52.492 52.037 -0.035 0.000 0.756 141 A CB 0.173 19.152 19.000 -0.035 0.000 0.813 141 A HN 0.267 nan 8.150 nan 0.000 0.471 142 A N 0.534 123.324 122.820 -0.051 0.000 2.312 142 A HA 0.615 4.937 4.320 0.003 0.000 0.326 142 A C 0.374 177.927 177.584 -0.052 0.000 1.172 142 A CA -0.828 51.175 52.037 -0.058 0.000 0.821 142 A CB 0.387 19.339 19.000 -0.081 0.000 1.166 142 A HN 0.623 nan 8.150 nan 0.000 0.493 143 R N 1.576 122.049 120.500 -0.045 0.000 2.543 143 R HA 0.549 4.891 4.340 0.003 0.000 0.268 143 R C -2.732 173.541 176.300 -0.046 0.000 1.067 143 R CA -1.497 54.581 56.100 -0.036 0.000 1.142 143 R CB -0.451 29.835 30.300 -0.023 0.000 1.110 143 R HN 0.319 nan 8.270 nan 0.000 0.549 144 P HA 0.019 nan 4.420 nan 0.000 0.261 144 P C 0.336 177.614 177.300 -0.036 0.000 1.183 144 P CA 1.416 64.492 63.100 -0.039 0.000 0.761 144 P CB 0.596 32.286 31.700 -0.017 0.000 0.785 145 G N 2.687 111.446 108.800 -0.069 0.000 2.155 145 G HA2 -0.352 3.610 3.960 0.003 0.000 0.257 145 G HA3 -0.352 3.610 3.960 0.003 0.000 0.257 145 G C 0.982 175.828 174.900 -0.090 0.000 0.983 145 G CA 0.487 45.538 45.100 -0.083 0.000 0.676 145 G HN 0.573 nan 8.290 nan 0.000 0.528 146 Q N -0.651 119.097 119.800 -0.087 0.000 2.137 146 Q HA 0.196 4.538 4.340 0.003 0.000 0.198 146 Q C 1.329 177.262 176.000 -0.112 0.000 0.960 146 Q CA 0.512 56.270 55.803 -0.075 0.000 0.847 146 Q CB 0.025 28.728 28.738 -0.060 0.000 0.915 146 Q HN 0.689 nan 8.270 nan 0.000 0.448 147 I N 1.926 122.403 120.570 -0.156 0.000 2.337 147 I HA 0.100 4.272 4.170 0.003 0.000 0.291 147 I C -0.901 175.055 176.117 -0.268 0.000 1.046 147 I CA -0.460 60.724 61.300 -0.193 0.000 1.324 147 I CB 1.272 39.146 38.000 -0.210 0.000 1.409 147 I HN -0.130 nan 8.210 nan 0.000 0.494 148 V N 9.044 128.808 119.914 -0.250 0.000 2.409 148 V HA 0.351 4.473 4.120 0.003 0.000 0.291 148 V C -2.051 173.897 176.094 -0.242 0.000 1.020 148 V CA -1.750 60.352 62.300 -0.330 0.000 0.848 148 V CB 1.581 33.220 31.823 -0.307 0.000 0.990 148 V HN 0.576 nan 8.190 nan 0.000 0.430 149 P HA 0.213 nan 4.420 nan 0.000 0.275 149 P C 0.410 177.666 177.300 -0.073 0.000 1.227 149 P CA 0.068 63.081 63.100 -0.145 0.000 0.781 149 P CB 2.117 33.761 31.700 -0.093 0.000 0.906 150 V N 1.305 121.183 119.914 -0.060 0.000 2.949 150 V HA -0.004 4.119 4.120 0.003 0.000 0.245 150 V C 0.772 176.809 176.094 -0.094 0.000 1.086 150 V CA 0.675 62.934 62.300 -0.068 0.000 1.097 150 V CB -0.975 30.798 31.823 -0.083 0.000 0.762 150 V HN 0.511 nan 8.190 nan 0.000 0.470 151 N N 0.863 119.518 118.700 -0.075 0.000 2.407 151 N HA 0.003 4.745 4.740 0.003 0.000 0.250 151 N C 1.346 176.727 175.510 -0.215 0.000 1.236 151 N CA 0.527 53.469 53.050 -0.181 0.000 0.879 151 N CB 0.664 39.092 38.487 -0.097 0.000 1.088 151 N HN 0.041 nan 8.380 nan 0.000 0.450 152 S N 1.420 116.893 115.700 -0.378 0.000 2.374 152 S HA -0.194 4.278 4.470 0.003 0.000 0.227 152 S C 1.305 175.816 174.600 -0.147 0.000 1.037 152 S CA 1.369 59.382 58.200 -0.311 0.000 1.024 152 S CB -0.127 62.825 63.200 -0.413 0.000 0.861 152 S HN 0.577 nan 8.310 nan 0.000 0.456 153 E N 0.274 120.357 120.200 -0.194 0.000 2.047 153 E HA -0.084 4.268 4.350 0.003 0.000 0.191 153 E C 1.839 178.351 176.600 -0.146 0.000 0.987 153 E CA 1.288 57.585 56.400 -0.172 0.000 0.799 153 E CB -0.252 29.266 29.700 -0.305 0.000 0.752 153 E HN 0.696 nan 8.360 nan 0.000 0.449 154 H N -0.997 118.108 119.070 0.059 0.000 2.428 154 H HA 0.059 4.618 4.556 0.005 0.000 0.296 154 H C 2.099 177.512 175.328 0.142 0.000 1.062 154 H CA 1.103 57.244 56.048 0.155 0.000 1.350 154 H CB 0.073 29.905 29.762 0.118 0.000 1.403 154 H HN 0.027 nan 8.280 nan 0.000 0.533 155 S N 0.366 116.151 115.700 0.141 0.000 2.368 155 S HA -0.172 4.301 4.470 0.003 0.000 0.225 155 S C 2.389 177.071 174.600 0.136 0.000 1.030 155 S CA 0.871 59.142 58.200 0.118 0.000 0.999 155 S CB -0.361 62.875 63.200 0.060 0.000 0.844 155 S HN 0.511 nan 8.310 nan 0.000 0.459 156 A N 1.392 124.267 122.820 0.092 0.000 1.902 156 A HA 0.034 4.356 4.320 0.003 0.000 0.217 156 A C 2.213 179.829 177.584 0.052 0.000 1.181 156 A CA 1.451 53.544 52.037 0.093 0.000 0.623 156 A CB -0.826 18.237 19.000 0.106 0.000 0.818 156 A HN 0.569 nan 8.150 nan 0.000 0.443 157 L N -0.788 120.431 121.223 -0.008 0.000 2.017 157 L HA -0.214 4.128 4.340 0.003 0.000 0.208 157 L C 3.138 179.893 176.870 -0.191 0.000 1.073 157 L CA 1.118 55.844 54.840 -0.190 0.000 0.745 157 L CB -0.573 41.242 42.059 -0.406 0.000 0.894 157 L HN 0.445 nan 8.230 nan 0.000 0.432 158 A N -0.443 122.380 122.820 0.005 0.000 1.908 158 A HA -0.281 4.042 4.320 0.003 0.000 0.218 158 A C 2.212 179.973 177.584 0.295 0.000 1.181 158 A CA 1.840 53.984 52.037 0.179 0.000 0.627 158 A CB -0.511 18.576 19.000 0.145 0.000 0.818 158 A HN 0.512 nan 8.150 nan 0.000 0.445 159 Q N -1.160 118.808 119.800 0.280 0.000 2.046 159 Q HA -0.163 4.179 4.340 0.003 0.000 0.200 159 Q C 2.330 178.426 176.000 0.160 0.000 0.975 159 Q CA 1.648 57.595 55.803 0.241 0.000 0.836 159 Q CB -0.428 28.425 28.738 0.192 0.000 0.896 159 Q HN 0.745 nan 8.270 nan 0.000 0.428 160 C N 0.682 120.049 119.300 0.112 0.000 2.422 160 C HA -0.080 4.382 4.460 0.003 0.000 0.279 160 C C 2.447 177.550 174.990 0.188 0.000 1.305 160 C CA 0.416 59.504 59.018 0.117 0.000 1.757 160 C CB -0.936 26.830 27.740 0.043 0.000 1.962 160 C HN 0.471 nan 8.230 nan 0.000 0.499 161 L N 0.409 121.699 121.223 0.111 0.000 2.353 161 L HA -0.135 4.207 4.340 0.003 0.000 0.220 161 L C 2.581 179.590 176.870 0.233 0.000 1.133 161 L CA 1.136 56.071 54.840 0.160 0.000 0.798 161 L CB -0.516 41.560 42.059 0.028 0.000 0.922 161 L HN 0.389 nan 8.230 nan 0.000 0.445 162 R N -0.261 120.351 120.500 0.186 0.000 2.285 162 R HA -0.050 4.292 4.340 0.003 0.000 0.213 162 R C 2.252 178.584 176.300 0.053 0.000 1.068 162 R CA 0.758 56.931 56.100 0.121 0.000 1.004 162 R CB -0.442 29.916 30.300 0.096 0.000 0.873 162 R HN 0.368 nan 8.270 nan 0.000 0.467 163 G N 0.335 109.185 108.800 0.084 0.000 2.535 163 G HA2 -0.001 3.962 3.960 0.003 0.000 0.218 163 G HA3 -0.001 3.962 3.960 0.003 0.000 0.218 163 G C 0.484 175.006 174.900 -0.630 0.000 1.122 163 G CA 0.790 45.770 45.100 -0.200 0.000 0.769 163 G HN 0.462 nan 8.290 nan 0.000 0.549 164 G N -1.548 107.039 108.800 -0.354 0.000 2.548 164 G HA2 0.502 4.464 3.960 0.003 0.000 0.301 164 G HA3 0.502 4.464 3.960 0.003 0.000 0.301 164 G C -0.472 174.443 174.900 0.026 0.000 1.349 164 G CA 0.115 45.046 45.100 -0.281 0.000 0.792 164 G HN 0.513 nan 8.290 nan 0.000 0.481 165 T N -1.035 113.539 114.554 0.033 0.000 2.882 165 T HA 0.480 4.832 4.350 0.003 0.000 0.287 165 T C -1.481 173.291 174.700 0.121 0.000 1.014 165 T CA -1.016 61.126 62.100 0.069 0.000 1.049 165 T CB 1.798 70.689 68.868 0.038 0.000 1.001 165 T HN 0.121 nan 8.240 nan 0.000 0.525 166 P HA -0.153 nan 4.420 nan 0.000 0.216 166 P C 1.352 178.696 177.300 0.075 0.000 1.153 166 P CA 1.295 64.446 63.100 0.085 0.000 0.858 166 P CB -0.080 31.657 31.700 0.062 0.000 0.789 167 D N -0.367 120.072 120.400 0.065 0.000 2.378 167 D HA -0.163 4.479 4.640 0.003 0.000 0.222 167 D C 1.092 177.437 176.300 0.075 0.000 0.980 167 D CA 0.838 54.870 54.000 0.055 0.000 0.907 167 D CB -0.467 40.357 40.800 0.040 0.000 0.899 167 D HN 0.311 nan 8.370 nan 0.000 0.527 168 E N 0.179 120.455 120.200 0.125 0.000 2.474 168 E HA 0.097 4.449 4.350 0.003 0.000 0.195 168 E C 0.067 176.827 176.600 0.266 0.000 1.039 168 E CA -0.177 56.341 56.400 0.197 0.000 0.881 168 E CB 1.147 30.973 29.700 0.209 0.000 0.970 168 E HN 0.094 nan 8.360 nan 0.000 0.486 169 V N 1.647 121.637 119.914 0.127 0.000 2.470 169 V HA 0.090 4.212 4.120 0.003 0.000 0.276 169 V C 0.892 176.941 176.094 -0.076 0.000 1.040 169 V CA 0.269 62.525 62.300 -0.075 0.000 1.008 169 V CB 1.005 32.760 31.823 -0.113 0.000 0.990 169 V HN 0.201 nan 8.190 nan 0.000 0.477 170 A N 5.440 128.182 122.820 -0.129 0.000 1.881 170 A HA 0.306 4.628 4.320 0.003 0.000 0.210 170 A C 0.896 178.416 177.584 -0.107 0.000 1.239 170 A CA 0.627 52.614 52.037 -0.084 0.000 0.629 170 A CB 0.254 19.219 19.000 -0.059 0.000 0.906 170 A HN 0.659 nan 8.150 nan 0.000 0.460 171 K N -0.284 120.017 120.400 -0.166 0.000 2.525 171 K HA 0.593 4.915 4.320 0.003 0.000 0.254 171 K C -1.685 174.794 176.600 -0.201 0.000 0.934 171 K CA -0.349 55.852 56.287 -0.145 0.000 0.802 171 K CB 2.146 34.584 32.500 -0.104 0.000 1.295 171 K HN 0.249 nan 8.250 nan 0.000 0.433 172 L N 2.799 123.924 121.223 -0.163 0.000 2.292 172 L HA 0.499 4.841 4.340 0.003 0.000 0.284 172 L C -0.467 176.336 176.870 -0.112 0.000 1.065 172 L CA -1.170 53.566 54.840 -0.174 0.000 0.806 172 L CB 1.345 43.302 42.059 -0.171 0.000 1.175 172 L HN 0.231 nan 8.230 nan 0.000 0.431 173 V N 4.875 124.721 119.914 -0.113 0.000 2.326 173 V HA 0.309 4.431 4.120 0.003 0.000 0.281 173 V C 0.002 176.071 176.094 -0.042 0.000 1.015 173 V CA -0.437 61.819 62.300 -0.073 0.000 0.823 173 V CB 1.547 33.310 31.823 -0.101 0.000 1.009 173 V HN 0.459 nan 8.190 nan 0.000 0.436 174 L N 5.019 126.239 121.223 -0.005 0.000 2.305 174 L HA 0.519 4.861 4.340 0.003 0.000 0.281 174 L C 0.909 177.810 176.870 0.052 0.000 1.085 174 L CA 0.419 55.270 54.840 0.018 0.000 0.813 174 L CB 1.768 43.845 42.059 0.030 0.000 1.157 174 L HN 0.814 nan 8.230 nan 0.000 0.436 175 T N 0.682 115.283 114.554 0.078 0.000 2.882 175 T HA 0.830 5.182 4.350 0.003 0.000 0.287 175 T C -0.184 174.588 174.700 0.120 0.000 0.992 175 T CA -0.771 61.407 62.100 0.130 0.000 1.076 175 T CB 1.600 70.571 68.868 0.172 0.000 0.961 175 T HN 0.686 nan 8.240 nan 0.000 0.490 176 A N 1.778 124.660 122.820 0.104 0.000 2.365 176 A HA 0.666 4.988 4.320 0.003 0.000 0.318 176 A C 1.196 178.785 177.584 0.008 0.000 1.091 176 A CA -0.391 51.682 52.037 0.060 0.000 0.763 176 A CB 1.418 20.434 19.000 0.026 0.000 1.248 176 A HN 1.116 nan 8.150 nan 0.000 0.442 177 S N 1.190 116.867 115.700 -0.038 0.000 2.406 177 S HA 0.278 4.750 4.470 0.003 0.000 0.228 177 S C 1.518 176.027 174.600 -0.152 0.000 1.020 177 S CA 1.530 59.650 58.200 -0.133 0.000 0.965 177 S CB -0.174 62.916 63.200 -0.183 0.000 0.798 177 S HN 2.680 nan 8.310 nan 0.000 0.488 178 G N 0.591 109.298 108.800 -0.154 0.000 2.234 178 G HA2 0.206 4.168 3.960 0.003 0.000 0.235 178 G HA3 0.206 4.168 3.960 0.003 0.000 0.235 178 G C 1.208 175.933 174.900 -0.290 0.000 0.997 178 G CA 0.273 45.238 45.100 -0.225 0.000 0.623 178 G HN 1.899 nan 8.290 nan 0.000 0.514 179 G N -0.094 108.556 108.800 -0.249 0.000 2.796 179 G HA2 0.148 4.110 3.960 0.003 0.000 0.226 179 G HA3 0.148 4.110 3.960 0.003 0.000 0.226 179 G C -0.907 173.738 174.900 -0.426 0.000 1.381 179 G CA 0.446 45.360 45.100 -0.310 0.000 0.867 179 G HN 0.865 nan 8.290 nan 0.000 0.552 180 P HA 0.171 nan 4.420 nan 0.000 0.229 180 P C 1.047 177.769 177.300 -0.963 0.000 1.160 180 P CA 1.107 63.721 63.100 -0.811 0.000 0.777 180 P CB -0.038 31.017 31.700 -1.076 0.000 0.814 181 F N -1.076 118.521 119.950 -0.587 0.000 2.647 181 F HA 0.267 4.800 4.527 0.011 0.000 0.300 181 F C 1.181 176.839 175.800 -0.237 0.000 1.106 181 F CA -1.007 56.397 58.000 -0.992 0.000 1.313 181 F CB -0.145 38.358 39.000 -0.829 0.000 1.007 181 F HN -0.291 nan 8.300 nan 0.000 0.536 182 R N 1.367 121.820 120.500 -0.078 0.000 2.504 182 R HA 0.209 4.551 4.340 0.003 0.000 0.291 182 R C 1.315 177.782 176.300 0.279 0.000 0.974 182 R CA 1.345 57.466 56.100 0.034 0.000 1.077 182 R CB 0.000 30.264 30.300 -0.060 0.000 0.926 182 R HN 0.574 nan 8.270 nan 0.000 0.407 183 G N 3.368 112.372 108.800 0.341 0.000 2.225 183 G HA2 -0.263 3.699 3.960 0.003 0.000 0.254 183 G HA3 -0.263 3.699 3.960 0.003 0.000 0.254 183 G C -0.399 174.779 174.900 0.463 0.000 0.988 183 G CA 0.128 45.441 45.100 0.355 0.000 0.625 183 G HN 0.604 nan 8.290 nan 0.000 0.527 184 W N 1.486 122.938 121.300 0.254 0.000 2.112 184 W HA 0.661 5.325 4.660 0.007 0.000 0.349 184 W C 1.066 177.658 176.519 0.121 0.000 1.289 184 W CA 0.030 57.490 57.345 0.192 0.000 1.256 184 W CB 0.496 30.095 29.460 0.232 0.000 1.148 184 W HN 0.211 nan 8.180 nan 0.000 0.590 185 S N 1.053 116.889 115.700 0.227 0.000 2.617 185 S HA 0.482 4.954 4.470 0.003 0.000 0.269 185 S C 1.141 175.785 174.600 0.073 0.000 1.292 185 S CA -0.001 58.261 58.200 0.103 0.000 1.010 185 S CB 1.048 64.264 63.200 0.028 0.000 0.944 185 S HN 0.539 nan 8.310 nan 0.000 0.536 186 A N 3.496 126.318 122.820 0.005 0.000 1.908 186 A HA 0.034 4.356 4.320 0.003 0.000 0.218 186 A C 2.373 179.950 177.584 -0.012 0.000 1.181 186 A CA 2.111 54.125 52.037 -0.038 0.000 0.627 186 A CB -1.570 17.399 19.000 -0.052 0.000 0.818 186 A HN 1.204 nan 8.150 nan 0.000 0.445 187 A N -0.045 122.775 122.820 0.001 0.000 1.940 187 A HA -0.201 4.121 4.320 0.003 0.000 0.219 187 A C 1.726 179.330 177.584 0.032 0.000 1.176 187 A CA 1.940 53.983 52.037 0.010 0.000 0.631 187 A CB -0.632 18.373 19.000 0.009 0.000 0.814 187 A HN 0.467 nan 8.150 nan 0.000 0.446 188 D N 0.023 120.443 120.400 0.034 0.000 2.178 188 D HA -0.101 4.541 4.640 0.003 0.000 0.201 188 D C 1.793 178.204 176.300 0.186 0.000 0.980 188 D CA 0.851 54.878 54.000 0.045 0.000 0.842 188 D CB -0.264 40.503 40.800 -0.054 0.000 0.948 188 D HN 0.478 nan 8.370 nan 0.000 0.472 189 L N 0.453 121.755 121.223 0.133 0.000 2.313 189 L HA -0.054 4.289 4.340 0.003 0.000 0.214 189 L C 2.175 179.038 176.870 -0.012 0.000 1.119 189 L CA 0.602 55.461 54.840 0.030 0.000 0.809 189 L CB -0.271 41.802 42.059 0.024 0.000 0.933 189 L HN -0.015 nan 8.230 nan 0.000 0.449 190 E N -0.260 119.909 120.200 -0.051 0.000 2.097 190 E HA -0.223 4.129 4.350 0.003 0.000 0.196 190 E C 1.107 177.496 176.600 -0.351 0.000 1.000 190 E CA 1.187 57.452 56.400 -0.226 0.000 0.804 190 E CB 0.053 29.556 29.700 -0.328 0.000 0.740 190 E HN 0.565 nan 8.360 nan 0.000 0.454 191 H N -0.882 118.219 119.070 0.051 0.000 2.486 191 H HA 0.197 4.755 4.556 0.003 0.000 0.284 191 H C -0.322 175.044 175.328 0.063 0.000 1.103 191 H CA -0.268 55.816 56.048 0.060 0.000 1.089 191 H CB 0.233 30.019 29.762 0.041 0.000 1.603 191 H HN -0.069 nan 8.280 nan 0.000 0.557 192 V N 3.309 123.259 119.914 0.061 0.000 2.694 192 V HA -0.047 4.075 4.120 0.003 0.000 0.306 192 V C 1.171 177.362 176.094 0.162 0.000 1.054 192 V CA 0.586 62.844 62.300 -0.070 0.000 1.161 192 V CB 0.925 32.312 31.823 -0.728 0.000 0.916 192 V HN 0.507 nan 8.190 nan 0.000 0.490 193 T N 3.066 117.718 114.554 0.163 0.000 2.952 193 T HA 0.443 4.795 4.350 0.003 0.000 0.286 193 T C -1.976 172.850 174.700 0.211 0.000 1.024 193 T CA -2.193 59.998 62.100 0.152 0.000 1.029 193 T CB 1.868 70.775 68.868 0.065 0.000 1.094 193 T HN 0.395 nan 8.240 nan 0.000 0.515 194 P HA -0.015 nan 4.420 nan 0.000 0.221 194 P C 0.896 178.242 177.300 0.076 0.000 1.145 194 P CA 0.829 63.916 63.100 -0.022 0.000 0.795 194 P CB 0.087 31.592 31.700 -0.324 0.000 0.775 195 E N -0.635 119.588 120.200 0.038 0.000 2.112 195 E HA -0.116 4.236 4.350 0.003 0.000 0.190 195 E C 2.085 178.705 176.600 0.032 0.000 0.979 195 E CA 0.995 57.409 56.400 0.024 0.000 0.814 195 E CB -0.654 29.052 29.700 0.010 0.000 0.762 195 E HN 0.389 nan 8.360 nan 0.000 0.460 196 Q N -0.041 119.814 119.800 0.092 0.000 2.123 196 Q HA 0.042 4.384 4.340 0.003 0.000 0.199 196 Q C 2.087 178.149 176.000 0.103 0.000 0.966 196 Q CA 1.200 57.074 55.803 0.119 0.000 0.845 196 Q CB -0.084 28.795 28.738 0.234 0.000 0.907 196 Q HN 0.266 nan 8.270 nan 0.000 0.439 197 A N 0.792 123.743 122.820 0.219 0.000 2.066 197 A HA 0.024 4.346 4.320 0.003 0.000 0.218 197 A C 1.853 179.468 177.584 0.052 0.000 1.157 197 A CA 1.222 53.377 52.037 0.197 0.000 0.670 197 A CB -0.257 18.984 19.000 0.402 0.000 0.804 197 A HN 0.390 nan 8.150 nan 0.000 0.453 198 G N -1.431 107.389 108.800 0.033 0.000 3.605 198 G HA2 0.425 4.387 3.960 0.003 0.000 0.277 198 G HA3 0.425 4.387 3.960 0.003 0.000 0.277 198 G C 1.009 175.842 174.900 -0.112 0.000 1.093 198 G CA 0.828 45.921 45.100 -0.013 0.000 0.821 198 G HN 0.539 nan 8.290 nan 0.000 0.532 199 A N 0.913 123.596 122.820 -0.227 0.000 1.821 199 A HA 0.054 4.376 4.320 0.003 0.000 0.215 199 A C 1.092 178.331 177.584 -0.576 0.000 1.214 199 A CA 0.667 52.411 52.037 -0.487 0.000 0.608 199 A CB -0.277 18.313 19.000 -0.684 0.000 0.862 199 A HN 0.401 nan 8.150 nan 0.000 0.448 200 H N -0.072 118.938 119.070 -0.100 0.000 2.530 200 H HA 0.361 4.912 4.556 -0.008 0.000 0.246 200 H C -2.692 172.565 175.328 -0.118 0.000 1.346 200 H CA -2.102 53.887 56.048 -0.099 0.000 1.424 200 H CB -0.616 29.081 29.762 -0.109 0.000 1.445 200 H HN 0.267 nan 8.280 nan 0.000 0.511 201 P HA 0.014 nan 4.420 nan 0.000 0.262 201 P C 1.063 178.308 177.300 -0.093 0.000 1.199 201 P CA 0.174 63.251 63.100 -0.039 0.000 0.763 201 P CB 1.025 32.727 31.700 0.004 0.000 0.790 202 T N 0.530 114.959 114.554 -0.209 0.000 2.777 202 T HA -0.100 4.252 4.350 0.003 0.000 0.266 202 T C 0.399 174.808 174.700 -0.485 0.000 1.040 202 T CA 1.062 62.897 62.100 -0.442 0.000 1.141 202 T CB -0.289 68.155 68.868 -0.706 0.000 0.868 202 T HN 0.415 nan 8.240 nan 0.000 0.444 203 W N 0.863 122.153 121.300 -0.017 0.000 2.436 203 W HA 0.548 5.204 4.660 -0.006 0.000 0.347 203 W C 0.736 177.247 176.519 -0.014 0.000 1.136 203 W CA -1.018 56.317 57.345 -0.015 0.000 1.286 203 W CB 0.762 30.212 29.460 -0.015 0.000 1.253 203 W HN -0.196 nan 8.180 nan 0.000 0.617 204 S N 2.950 118.799 115.700 0.249 0.000 4.183 204 S HA 0.377 4.849 4.470 0.003 0.000 0.195 204 S C -0.395 174.263 174.600 0.097 0.000 1.421 204 S CA -0.071 58.203 58.200 0.123 0.000 0.920 204 S CB -1.093 62.160 63.200 0.087 0.000 1.525 204 S HN 0.418 nan 8.310 nan 0.000 0.447 205 M N 0.832 120.495 119.600 0.105 0.000 2.664 205 M HA 0.545 5.027 4.480 0.003 0.000 0.279 205 M C 0.678 177.017 176.300 0.065 0.000 1.275 205 M CA -0.684 54.662 55.300 0.076 0.000 0.829 205 M CB 1.927 34.577 32.600 0.082 0.000 1.727 205 M HN 0.398 nan 8.290 nan 0.000 0.459 206 G N 0.151 108.985 108.800 0.056 0.000 2.516 206 G HA2 0.349 4.311 3.960 0.003 0.000 0.276 206 G HA3 0.349 4.311 3.960 0.003 0.000 0.276 206 G C -2.235 172.700 174.900 0.058 0.000 1.390 206 G CA -0.968 44.163 45.100 0.052 0.000 1.050 206 G HN 0.485 nan 8.290 nan 0.000 0.519 207 P HA -0.126 nan 4.420 nan 0.000 0.217 207 P C 1.941 179.296 177.300 0.092 0.000 1.148 207 P CA 1.094 64.236 63.100 0.071 0.000 0.828 207 P CB 0.074 31.811 31.700 0.062 0.000 0.783 208 M N -0.718 118.929 119.600 0.078 0.000 2.123 208 M HA -0.037 4.445 4.480 0.003 0.000 0.263 208 M C 1.557 177.905 176.300 0.079 0.000 1.069 208 M CA 1.740 57.087 55.300 0.078 0.000 1.133 208 M CB -1.201 31.433 32.600 0.057 0.000 1.356 208 M HN -0.226 nan 8.290 nan 0.000 0.415 209 N N -0.827 117.918 118.700 0.075 0.000 2.270 209 N HA -0.069 4.673 4.740 0.003 0.000 0.181 209 N C 1.489 177.062 175.510 0.104 0.000 1.016 209 N CA 1.775 54.876 53.050 0.084 0.000 0.870 209 N CB -0.395 38.140 38.487 0.080 0.000 0.979 209 N HN 0.424 nan 8.380 nan 0.000 0.431 210 T N 1.475 116.086 114.554 0.094 0.000 2.821 210 T HA -0.073 4.279 4.350 0.003 0.000 0.267 210 T C 1.943 176.698 174.700 0.092 0.000 1.046 210 T CA 0.436 62.583 62.100 0.078 0.000 1.139 210 T CB -0.179 68.719 68.868 0.051 0.000 0.871 210 T HN 0.087 nan 8.240 nan 0.000 0.454 211 L N 2.002 123.303 121.223 0.130 0.000 2.056 211 L HA 0.018 4.360 4.340 0.003 0.000 0.207 211 L C 1.826 178.790 176.870 0.156 0.000 1.078 211 L CA 1.680 56.633 54.840 0.189 0.000 0.749 211 L CB -0.812 41.381 42.059 0.224 0.000 0.901 211 L HN 0.056 nan 8.230 nan 0.000 0.433 212 N N -0.632 118.133 118.700 0.107 0.000 2.223 212 N HA -0.126 4.616 4.740 0.003 0.000 0.185 212 N C 1.893 177.462 175.510 0.099 0.000 1.016 212 N CA 1.359 54.460 53.050 0.085 0.000 0.863 212 N CB -0.358 38.173 38.487 0.073 0.000 0.983 212 N HN 0.352 nan 8.380 nan 0.000 0.429 213 S N 0.448 116.207 115.700 0.100 0.000 2.382 213 S HA -0.031 4.441 4.470 0.003 0.000 0.228 213 S C 1.989 176.612 174.600 0.038 0.000 1.027 213 S CA 1.070 59.314 58.200 0.073 0.000 0.991 213 S CB -0.175 63.062 63.200 0.062 0.000 0.823 213 S HN 0.515 nan 8.310 nan 0.000 0.469 214 A N 1.342 124.214 122.820 0.085 0.000 1.970 214 A HA 0.005 4.327 4.320 0.003 0.000 0.216 214 A C 2.214 180.085 177.584 0.479 0.000 1.170 214 A CA 1.506 53.638 52.037 0.159 0.000 0.645 214 A CB -0.499 18.607 19.000 0.175 0.000 0.816 214 A HN 0.578 nan 8.150 nan 0.000 0.447 215 S N -1.775 114.135 115.700 0.349 0.000 2.524 215 S HA 0.243 4.715 4.470 0.003 0.000 0.216 215 S C 0.873 175.594 174.600 0.201 0.000 0.987 215 S CA 0.530 58.854 58.200 0.207 0.000 0.909 215 S CB 0.144 63.262 63.200 -0.137 0.000 0.781 215 S HN 0.568 nan 8.310 nan 0.000 0.521 216 L N -0.111 121.198 121.223 0.142 0.000 4.950 216 L HA -0.178 4.164 4.340 0.003 0.000 0.413 216 L C 1.393 178.340 176.870 0.129 0.000 1.020 216 L CA 0.693 55.596 54.840 0.105 0.000 1.239 216 L CB -2.401 39.726 42.059 0.113 0.000 2.004 216 L HN 0.380 nan 8.230 nan 0.000 0.658 217 V N -0.277 119.706 119.914 0.114 0.000 2.427 217 V HA -0.239 3.883 4.120 0.003 0.000 0.248 217 V C 2.216 178.412 176.094 0.170 0.000 1.051 217 V CA 2.397 64.782 62.300 0.142 0.000 1.048 217 V CB -0.442 31.392 31.823 0.018 0.000 0.666 217 V HN 0.598 nan 8.190 nan 0.000 0.456 218 N N 0.697 119.471 118.700 0.123 0.000 2.061 218 N HA -0.248 4.494 4.740 0.003 0.000 0.193 218 N C 1.745 177.330 175.510 0.125 0.000 1.030 218 N CA 1.755 54.876 53.050 0.119 0.000 0.856 218 N CB -0.216 38.336 38.487 0.108 0.000 1.023 218 N HN 0.218 nan 8.380 nan 0.000 0.424 219 K N -0.173 120.298 120.400 0.117 0.000 2.097 219 K HA 0.072 4.395 4.320 0.003 0.000 0.206 219 K C 1.874 178.548 176.600 0.124 0.000 1.049 219 K CA 1.418 57.770 56.287 0.108 0.000 0.933 219 K CB -1.046 31.506 32.500 0.086 0.000 0.717 219 K HN 0.326 nan 8.250 nan 0.000 0.442 220 G N 0.497 109.387 108.800 0.150 0.000 2.421 220 G HA2 -0.207 3.756 3.960 0.003 0.000 0.216 220 G HA3 -0.207 3.756 3.960 0.003 0.000 0.216 220 G C 1.498 176.455 174.900 0.095 0.000 1.171 220 G CA 0.897 46.073 45.100 0.127 0.000 0.775 220 G HN 0.284 nan 8.290 nan 0.000 0.543 221 L N -0.132 121.210 121.223 0.198 0.000 2.079 221 L HA -0.150 4.193 4.340 0.003 0.000 0.210 221 L C 3.091 180.051 176.870 0.149 0.000 1.081 221 L CA 1.234 56.181 54.840 0.177 0.000 0.752 221 L CB -0.430 41.746 42.059 0.195 0.000 0.896 221 L HN 0.279 nan 8.230 nan 0.000 0.433 222 Q N -0.744 119.161 119.800 0.175 0.000 2.230 222 Q HA -0.124 4.218 4.340 0.003 0.000 0.202 222 Q C 2.366 178.542 176.000 0.292 0.000 0.963 222 Q CA 0.997 56.961 55.803 0.269 0.000 0.866 222 Q CB 0.056 28.892 28.738 0.165 0.000 0.931 222 Q HN 0.380 nan 8.270 nan 0.000 0.452 223 V N 0.912 120.941 119.914 0.191 0.000 2.358 223 V HA -0.249 3.873 4.120 0.003 0.000 0.246 223 V C 2.082 178.305 176.094 0.215 0.000 1.047 223 V CA 1.441 63.855 62.300 0.190 0.000 1.035 223 V CB -0.371 31.555 31.823 0.171 0.000 0.658 223 V HN 0.335 nan 8.190 nan 0.000 0.452 224 I N -0.065 120.625 120.570 0.200 0.000 2.127 224 I HA -0.273 3.899 4.170 0.003 0.000 0.241 224 I C 2.553 178.739 176.117 0.115 0.000 1.075 224 I CA 1.814 63.244 61.300 0.215 0.000 1.334 224 I CB -0.467 37.592 38.000 0.098 0.000 1.040 224 I HN 0.358 nan 8.210 nan 0.000 0.405 225 E N 0.299 120.523 120.200 0.040 0.000 2.085 225 E HA -0.198 4.154 4.350 0.003 0.000 0.194 225 E C 2.147 178.622 176.600 -0.209 0.000 0.994 225 E CA 1.923 58.240 56.400 -0.138 0.000 0.801 225 E CB -0.162 29.377 29.700 -0.268 0.000 0.743 225 E HN 0.491 nan 8.360 nan 0.000 0.453 226 T N -0.172 114.380 114.554 -0.003 0.000 2.684 226 T HA -0.225 4.127 4.350 0.003 0.000 0.267 226 T C 1.727 176.475 174.700 0.081 0.000 1.036 226 T CA 1.829 64.033 62.100 0.174 0.000 1.148 226 T CB -0.419 68.626 68.868 0.295 0.000 0.863 226 T HN 0.339 nan 8.240 nan 0.000 0.436 227 H N 0.986 119.971 119.070 -0.142 0.000 2.353 227 H HA 0.079 4.637 4.556 0.003 0.000 0.300 227 H C 1.958 177.169 175.328 -0.195 0.000 1.090 227 H CA 1.299 57.170 56.048 -0.296 0.000 1.327 227 H CB -0.472 28.847 29.762 -0.737 0.000 1.383 227 H HN 0.269 nan 8.280 nan 0.000 0.508 228 L N -0.461 120.624 121.223 -0.231 0.000 2.109 228 L HA -0.083 4.259 4.340 0.003 0.000 0.207 228 L C 2.416 179.076 176.870 -0.349 0.000 1.086 228 L CA 0.734 55.412 54.840 -0.270 0.000 0.760 228 L CB -0.262 41.718 42.059 -0.132 0.000 0.910 228 L HN 0.287 nan 8.230 nan 0.000 0.437 229 L N -1.560 119.390 121.223 -0.455 0.000 2.109 229 L HA -0.102 4.240 4.340 0.003 0.000 0.207 229 L C 1.757 178.153 176.870 -0.791 0.000 1.086 229 L CA 1.350 55.746 54.840 -0.740 0.000 0.760 229 L CB -0.088 41.273 42.059 -1.163 0.000 0.910 229 L HN 0.182 nan 8.230 nan 0.000 0.437 230 F N -1.551 118.280 119.950 -0.197 0.000 2.728 230 F HA 0.321 4.849 4.527 0.002 0.000 0.314 230 F C 1.613 177.307 175.800 -0.178 0.000 1.094 230 F CA 0.262 58.168 58.000 -0.157 0.000 1.217 230 F CB 0.458 39.388 39.000 -0.116 0.000 1.056 230 F HN 0.033 nan 8.300 nan 0.000 0.577 231 G N 1.891 110.596 108.800 -0.157 0.000 2.198 231 G HA2 -0.268 3.694 3.960 0.003 0.000 0.260 231 G HA3 -0.268 3.694 3.960 0.003 0.000 0.260 231 G C 0.031 174.848 174.900 -0.138 0.000 1.025 231 G CA -0.155 44.803 45.100 -0.237 0.000 0.769 231 G HN 0.176 nan 8.290 nan 0.000 0.507 232 I N 0.683 121.203 120.570 -0.083 0.000 2.396 232 I HA 0.295 4.467 4.170 0.003 0.000 0.292 232 I C -1.767 174.385 176.117 0.059 0.000 0.999 232 I CA -2.824 58.469 61.300 -0.012 0.000 1.310 232 I CB 1.017 39.009 38.000 -0.013 0.000 1.404 232 I HN -0.147 nan 8.210 nan 0.000 0.496 233 P HA 0.041 nan 4.420 nan 0.000 0.267 233 P C 0.382 177.670 177.300 -0.021 0.000 1.200 233 P CA 0.163 63.301 63.100 0.063 0.000 0.772 233 P CB 0.359 32.096 31.700 0.061 0.000 0.855 234 Y N 1.351 121.638 120.300 -0.021 0.000 2.256 234 Y HA -0.252 4.299 4.550 0.003 0.000 0.288 234 Y C 2.074 177.961 175.900 -0.021 0.000 1.155 234 Y CA 1.837 59.904 58.100 -0.055 0.000 1.203 234 Y CB -0.591 37.785 38.460 -0.140 0.000 0.980 234 Y HN 0.431 nan 8.280 nan 0.000 0.530 235 D N -0.396 120.078 120.400 0.123 0.000 2.363 235 D HA -0.087 4.555 4.640 0.003 0.000 0.226 235 D C 1.192 177.515 176.300 0.038 0.000 1.020 235 D CA 0.629 54.671 54.000 0.070 0.000 0.892 235 D CB -0.295 40.536 40.800 0.052 0.000 0.900 235 D HN 0.294 nan 8.370 nan 0.000 0.531 236 R N -0.177 120.339 120.500 0.026 0.000 2.508 236 R HA 0.353 4.695 4.340 0.003 0.000 0.300 236 R C 0.014 176.303 176.300 -0.018 0.000 0.970 236 R CA -0.248 55.849 56.100 -0.005 0.000 1.102 236 R CB 0.922 31.213 30.300 -0.015 0.000 1.246 236 R HN 0.192 nan 8.270 nan 0.000 0.539 237 I N 1.727 122.300 120.570 0.006 0.000 2.330 237 I HA 0.197 4.369 4.170 0.003 0.000 0.286 237 I C -0.578 175.556 176.117 0.029 0.000 1.025 237 I CA -0.586 60.719 61.300 0.008 0.000 1.197 237 I CB 1.269 39.281 38.000 0.021 0.000 1.358 237 I HN -0.223 nan 8.210 nan 0.000 0.467 238 D N 5.363 125.767 120.400 0.006 0.000 2.217 238 D HA 0.523 5.165 4.640 0.003 0.000 0.248 238 D C -0.489 175.827 176.300 0.026 0.000 1.008 238 D CA -0.253 53.755 54.000 0.015 0.000 0.914 238 D CB 2.708 43.503 40.800 -0.009 0.000 1.182 238 D HN 0.046 nan 8.370 nan 0.000 0.451 239 V N 1.490 121.428 119.914 0.040 0.000 2.487 239 V HA 0.465 4.587 4.120 0.003 0.000 0.298 239 V C -0.261 175.869 176.094 0.059 0.000 1.028 239 V CA -0.698 61.634 62.300 0.052 0.000 0.860 239 V CB 1.975 33.836 31.823 0.063 0.000 0.991 239 V HN 0.266 nan 8.190 nan 0.000 0.427 240 V N 4.952 124.913 119.914 0.078 0.000 2.638 240 V HA 0.444 4.566 4.120 0.003 0.000 0.306 240 V C -0.203 175.990 176.094 0.165 0.000 1.052 240 V CA -0.813 61.559 62.300 0.121 0.000 0.885 240 V CB 2.232 34.127 31.823 0.122 0.000 0.999 240 V HN 0.575 nan 8.190 nan 0.000 0.424 241 V N 3.782 123.783 119.914 0.146 0.000 2.508 241 V HA 0.275 4.397 4.120 0.003 0.000 0.281 241 V C -0.242 175.943 176.094 0.151 0.000 1.041 241 V CA -0.045 62.317 62.300 0.102 0.000 1.016 241 V CB 0.757 32.596 31.823 0.027 0.000 0.984 241 V HN 0.978 nan 8.190 nan 0.000 0.478 242 H N 7.125 126.162 119.070 -0.055 0.000 2.917 242 H HA 0.422 4.981 4.556 0.006 0.000 0.279 242 H C -2.422 172.776 175.328 -0.217 0.000 1.211 242 H CA -1.829 54.081 56.048 -0.230 0.000 1.534 242 H CB 2.084 31.672 29.762 -0.290 0.000 1.581 242 H HN 0.314 nan 8.280 nan 0.000 0.510 243 P HA -0.136 nan 4.420 nan 0.000 0.219 243 P C 1.009 178.014 177.300 -0.492 0.000 1.146 243 P CA 1.049 63.930 63.100 -0.365 0.000 0.808 243 P CB 0.463 32.020 31.700 -0.239 0.000 0.779 244 Q N -1.221 118.114 119.800 -0.774 0.000 2.297 244 Q HA 0.059 4.401 4.340 0.003 0.000 0.204 244 Q C 0.858 176.527 176.000 -0.552 0.000 0.962 244 Q CA 0.678 56.125 55.803 -0.592 0.000 0.879 244 Q CB -0.696 27.768 28.738 -0.456 0.000 0.947 244 Q HN -0.018 nan 8.270 nan 0.000 0.462 245 S N -0.921 114.356 115.700 -0.705 0.000 3.641 245 S HA -0.199 4.273 4.470 0.003 0.000 0.346 245 S C 0.625 175.028 174.600 -0.328 0.000 1.074 245 S CA 0.575 58.566 58.200 -0.350 0.000 1.026 245 S CB -1.638 61.345 63.200 -0.361 0.000 0.908 245 S HN 0.396 nan 8.310 nan 0.000 0.479 246 I N -0.188 120.184 120.570 -0.329 0.000 2.729 246 I HA 0.217 4.389 4.170 0.003 0.000 0.256 246 I C 1.001 176.591 176.117 -0.879 0.000 1.115 246 I CA 0.461 61.449 61.300 -0.520 0.000 1.446 246 I CB 0.132 37.851 38.000 -0.468 0.000 1.176 246 I HN 0.327 nan 8.210 nan 0.000 0.446 247 I N 2.217 122.335 120.570 -0.753 0.000 2.452 247 I HA -0.034 4.138 4.170 0.003 0.000 0.287 247 I C 1.022 176.894 176.117 -0.408 0.000 1.079 247 I CA 0.251 61.166 61.300 -0.642 0.000 1.387 247 I CB 0.519 38.167 38.000 -0.588 0.000 1.404 247 I HN 0.319 nan 8.210 nan 0.000 0.522 248 H N 3.713 122.766 119.070 -0.029 0.000 2.595 248 H HA 0.329 4.884 4.556 -0.001 0.000 0.265 248 H C 0.237 175.575 175.328 0.016 0.000 0.953 248 H CA 0.127 56.201 56.048 0.045 0.000 1.197 248 H CB 0.955 30.755 29.762 0.063 0.000 1.438 248 H HN 0.570 nan 8.280 nan 0.000 0.531 249 S N -0.584 115.154 115.700 0.063 0.000 2.701 249 S HA 0.386 4.858 4.470 0.003 0.000 0.267 249 S C -1.287 173.295 174.600 -0.030 0.000 1.034 249 S CA -0.791 57.414 58.200 0.009 0.000 0.867 249 S CB 1.575 64.772 63.200 -0.005 0.000 1.123 249 S HN 0.082 nan 8.310 nan 0.000 0.470 250 M N 1.254 120.813 119.600 -0.068 0.000 2.575 250 M HA 0.660 5.142 4.480 0.003 0.000 0.284 250 M C -1.647 174.564 176.300 -0.147 0.000 1.253 250 M CA -0.821 54.423 55.300 -0.093 0.000 0.861 250 M CB 2.232 34.761 32.600 -0.119 0.000 1.733 250 M HN 0.354 nan 8.290 nan 0.000 0.462 251 V N 0.708 120.514 119.914 -0.180 0.000 2.531 251 V HA 0.455 4.577 4.120 0.003 0.000 0.301 251 V C -0.480 175.365 176.094 -0.414 0.000 1.034 251 V CA -0.588 61.497 62.300 -0.358 0.000 0.865 251 V CB 2.065 33.590 31.823 -0.497 0.000 0.995 251 V HN 0.892 nan 8.190 nan 0.000 0.424 252 T N 5.722 120.040 114.554 -0.395 0.000 2.806 252 T HA 0.632 4.984 4.350 0.003 0.000 0.290 252 T C -0.425 174.026 174.700 -0.414 0.000 0.966 252 T CA 0.116 62.053 62.100 -0.272 0.000 1.060 252 T CB 0.355 69.135 68.868 -0.147 0.000 0.927 252 T HN 0.290 nan 8.240 nan 0.000 0.485 253 F N 1.727 121.658 119.950 -0.032 0.000 2.457 253 F HA 0.416 4.945 4.527 0.003 0.000 0.330 253 F C 1.874 177.663 175.800 -0.019 0.000 1.069 253 F CA -1.304 56.682 58.000 -0.024 0.000 1.009 253 F CB 0.647 39.635 39.000 -0.020 0.000 1.276 253 F HN 0.539 nan 8.300 nan 0.000 0.492 254 I N -1.428 119.254 120.570 0.186 0.000 2.850 254 I HA -0.138 4.034 4.170 0.003 0.000 0.266 254 I C 1.137 177.298 176.117 0.074 0.000 1.257 254 I CA 1.137 62.492 61.300 0.091 0.000 1.465 254 I CB -0.573 37.470 38.000 0.072 0.000 1.091 254 I HN 0.553 nan 8.210 nan 0.000 0.467 255 D N 1.035 121.491 120.400 0.092 0.000 2.354 255 D HA 0.130 4.772 4.640 0.003 0.000 0.209 255 D C 1.689 178.018 176.300 0.048 0.000 1.015 255 D CA 0.821 54.853 54.000 0.054 0.000 0.867 255 D CB 0.249 41.071 40.800 0.036 0.000 0.933 255 D HN 0.489 nan 8.370 nan 0.000 0.520 256 G N -0.352 108.487 108.800 0.064 0.000 2.201 256 G HA2 -0.225 3.737 3.960 0.003 0.000 0.212 256 G HA3 -0.225 3.737 3.960 0.003 0.000 0.212 256 G C 0.227 175.160 174.900 0.055 0.000 0.994 256 G CA 0.147 45.273 45.100 0.043 0.000 0.644 256 G HN 0.524 nan 8.290 nan 0.000 0.508 257 S N 0.732 116.490 115.700 0.098 0.000 2.548 257 S HA 0.619 5.091 4.470 0.003 0.000 0.277 257 S C 0.350 175.059 174.600 0.182 0.000 1.315 257 S CA 0.871 59.142 58.200 0.117 0.000 1.050 257 S CB 0.812 64.073 63.200 0.102 0.000 0.918 257 S HN 0.443 nan 8.310 nan 0.000 0.497 258 T N 5.776 120.398 114.554 0.114 0.000 2.807 258 T HA 0.504 4.856 4.350 0.003 0.000 0.279 258 T C -0.682 174.092 174.700 0.122 0.000 0.993 258 T CA -0.547 61.605 62.100 0.086 0.000 0.970 258 T CB 0.657 69.515 68.868 -0.017 0.000 0.950 258 T HN 0.440 nan 8.240 nan 0.000 0.441 259 I N 2.944 123.619 120.570 0.174 0.000 2.354 259 I HA 0.675 4.847 4.170 0.003 0.000 0.292 259 I C 0.253 176.417 176.117 0.078 0.000 0.989 259 I CA -0.972 60.425 61.300 0.162 0.000 1.188 259 I CB 0.926 39.099 38.000 0.288 0.000 1.342 259 I HN 0.710 nan 8.210 nan 0.000 0.457 260 A N 6.631 129.489 122.820 0.064 0.000 2.374 260 A HA 0.689 5.011 4.320 0.003 0.000 0.317 260 A C -0.701 176.914 177.584 0.052 0.000 1.094 260 A CA -0.576 51.480 52.037 0.031 0.000 0.765 260 A CB 2.294 21.301 19.000 0.013 0.000 1.268 260 A HN 0.648 nan 8.150 nan 0.000 0.438 261 Q N 0.629 120.452 119.800 0.037 0.000 2.309 261 Q HA 0.704 5.046 4.340 0.003 0.000 0.264 261 Q C -1.230 174.785 176.000 0.024 0.000 1.008 261 Q CA -0.515 55.331 55.803 0.072 0.000 0.853 261 Q CB 1.973 30.779 28.738 0.112 0.000 1.314 261 Q HN 1.150 nan 8.270 nan 0.000 0.448 262 A N 2.327 125.176 122.820 0.049 0.000 2.427 262 A HA 0.766 5.088 4.320 0.003 0.000 0.298 262 A C -1.283 176.363 177.584 0.103 0.000 1.036 262 A CA -0.312 51.681 52.037 -0.073 0.000 0.701 262 A CB 1.453 20.293 19.000 -0.266 0.000 1.250 262 A HN 0.794 nan 8.150 nan 0.000 0.412 263 S N 1.155 116.947 115.700 0.154 0.000 2.547 263 S HA 0.793 5.265 4.470 0.003 0.000 0.270 263 S C -3.402 171.322 174.600 0.208 0.000 1.150 263 S CA -1.471 56.849 58.200 0.201 0.000 0.850 263 S CB 1.414 64.743 63.200 0.216 0.000 1.118 263 S HN 0.356 nan 8.310 nan 0.000 0.461 264 P HA 0.272 nan 4.420 nan 0.000 0.265 264 P C -2.567 174.819 177.300 0.143 0.000 1.193 264 P CA -0.629 62.520 63.100 0.082 0.000 0.765 264 P CB -0.714 31.007 31.700 0.035 0.000 0.823 265 P HA 0.015 nan 4.420 nan 0.000 0.258 265 P C -0.607 176.777 177.300 0.139 0.000 1.172 265 P CA 1.183 64.382 63.100 0.164 0.000 0.762 265 P CB 0.106 31.776 31.700 -0.050 0.000 0.764 266 D N 3.948 124.455 120.400 0.178 0.000 2.219 266 D HA 0.043 4.685 4.640 0.003 0.000 0.191 266 D C 0.606 176.954 176.300 0.079 0.000 1.272 266 D CA -0.313 53.756 54.000 0.115 0.000 0.873 266 D CB 0.633 41.475 40.800 0.070 0.000 1.730 266 D HN -0.029 nan 8.370 nan 0.000 0.519 267 M N 2.298 121.942 119.600 0.074 0.000 2.549 267 M HA -0.013 4.469 4.480 0.003 0.000 0.260 267 M C 1.584 177.868 176.300 -0.026 0.000 1.076 267 M CA 0.862 56.154 55.300 -0.013 0.000 1.090 267 M CB -0.386 32.193 32.600 -0.035 0.000 1.418 267 M HN 0.406 nan 8.290 nan 0.000 0.486 268 K N -0.068 120.333 120.400 0.000 0.000 2.147 268 K HA -0.173 4.149 4.320 0.003 0.000 0.205 268 K C 1.890 178.492 176.600 0.004 0.000 1.049 268 K CA 0.888 57.173 56.287 -0.003 0.000 0.936 268 K CB -0.238 32.269 32.500 0.012 0.000 0.722 268 K HN 0.173 nan 8.250 nan 0.000 0.446 269 L N 1.942 123.170 121.223 0.009 0.000 1.961 269 L HA -0.102 4.240 4.340 0.003 0.000 0.210 269 L C -1.263 175.618 176.870 0.019 0.000 1.072 269 L CA 1.836 56.688 54.840 0.021 0.000 0.749 269 L CB -1.073 41.000 42.059 0.022 0.000 0.889 269 L HN 0.033 nan 8.230 nan 0.000 0.432 270 P HA -0.162 nan 4.420 nan 0.000 0.218 270 P C 2.164 179.465 177.300 0.001 0.000 1.149 270 P CA 1.744 64.840 63.100 -0.008 0.000 0.817 270 P CB -0.093 31.558 31.700 -0.081 0.000 0.785 271 I N 0.689 121.241 120.570 -0.030 0.000 2.179 271 I HA -0.242 3.930 4.170 0.003 0.000 0.242 271 I C 2.707 178.802 176.117 -0.037 0.000 1.088 271 I CA 2.116 63.387 61.300 -0.048 0.000 1.357 271 I CB -0.811 37.147 38.000 -0.071 0.000 1.051 271 I HN 0.077 nan 8.210 nan 0.000 0.409 272 S N 0.986 116.682 115.700 -0.007 0.000 2.382 272 S HA -0.179 4.293 4.470 0.003 0.000 0.228 272 S C 1.973 176.650 174.600 0.128 0.000 1.027 272 S CA 0.880 59.100 58.200 0.032 0.000 0.991 272 S CB -0.678 62.569 63.200 0.079 0.000 0.823 272 S HN 0.341 nan 8.310 nan 0.000 0.469 273 L N 1.840 123.147 121.223 0.141 0.000 2.156 273 L HA 0.353 4.696 4.340 0.003 0.000 0.208 273 L C 2.649 179.718 176.870 0.332 0.000 1.095 273 L CA 1.310 56.290 54.840 0.233 0.000 0.770 273 L CB -1.245 40.962 42.059 0.246 0.000 0.914 273 L HN 0.362 nan 8.230 nan 0.000 0.439 274 A N -0.535 122.403 122.820 0.198 0.000 1.902 274 A HA -0.155 4.168 4.320 0.003 0.000 0.217 274 A C 2.233 179.896 177.584 0.132 0.000 1.181 274 A CA 1.914 54.031 52.037 0.133 0.000 0.623 274 A CB -0.771 18.238 19.000 0.015 0.000 0.818 274 A HN 0.463 nan 8.150 nan 0.000 0.443 275 L N -1.141 120.122 121.223 0.067 0.000 2.056 275 L HA -0.062 4.280 4.340 0.003 0.000 0.207 275 L C 2.493 179.550 176.870 0.312 0.000 1.078 275 L CA 1.151 56.007 54.840 0.026 0.000 0.749 275 L CB -0.472 41.344 42.059 -0.405 0.000 0.901 275 L HN 0.499 nan 8.230 nan 0.000 0.433 276 G N -2.161 106.880 108.800 0.401 0.000 3.088 276 G HA2 -0.109 3.853 3.960 0.003 0.000 0.217 276 G HA3 -0.109 3.853 3.960 0.003 0.000 0.217 276 G C 0.365 175.411 174.900 0.243 0.000 1.159 276 G CA -0.545 44.786 45.100 0.384 0.000 0.760 276 G HN 0.189 nan 8.290 nan 0.000 0.550 277 W N 2.487 123.848 121.300 0.101 0.000 2.560 277 W HA -0.013 4.647 4.660 0.001 0.000 0.335 277 W C -1.394 175.157 176.519 0.053 0.000 1.147 277 W CA -0.606 56.779 57.345 0.066 0.000 1.277 277 W CB 0.867 30.357 29.460 0.050 0.000 1.152 277 W HN 0.140 nan 8.180 nan 0.000 0.561 278 P HA 0.031 nan 4.420 nan 0.000 0.249 278 P C 0.004 176.932 177.300 -0.621 0.000 1.229 278 P CA 0.662 63.110 63.100 -1.087 0.000 0.788 278 P CB 0.175 31.451 31.700 -0.707 0.000 1.072 279 R N 1.062 121.401 120.500 -0.269 0.000 2.265 279 R HA 0.298 4.640 4.340 0.003 0.000 0.314 279 R C 0.616 176.866 176.300 -0.084 0.000 1.053 279 R CA -0.442 55.565 56.100 -0.156 0.000 0.931 279 R CB 0.929 31.174 30.300 -0.091 0.000 1.024 279 R HN 0.101 nan 8.270 nan 0.000 0.457 280 R N 1.377 121.829 120.500 -0.081 0.000 2.641 280 R HA 0.152 4.494 4.340 0.003 0.000 0.269 280 R C -0.388 175.924 176.300 0.020 0.000 1.074 280 R CA -0.265 55.825 56.100 -0.016 0.000 1.133 280 R CB 0.730 31.018 30.300 -0.021 0.000 1.029 280 R HN 0.245 nan 8.270 nan 0.000 0.488 281 V N 2.121 122.073 119.914 0.063 0.000 2.328 281 V HA 0.054 4.176 4.120 0.003 0.000 0.278 281 V C 0.410 176.541 176.094 0.062 0.000 1.021 281 V CA -0.423 61.927 62.300 0.083 0.000 0.838 281 V CB 1.381 33.308 31.823 0.174 0.000 0.999 281 V HN 0.788 nan 8.190 nan 0.000 0.447 282 S N 4.245 119.970 115.700 0.040 0.000 2.546 282 S HA 0.356 4.828 4.470 0.003 0.000 0.290 282 S C 1.404 176.030 174.600 0.043 0.000 1.290 282 S CA 0.936 59.156 58.200 0.034 0.000 1.069 282 S CB 0.089 63.301 63.200 0.021 0.000 0.846 282 S HN 1.882 nan 8.310 nan 0.000 0.495 283 G N 3.315 112.140 108.800 0.042 0.000 2.162 283 G HA2 -0.281 3.681 3.960 0.003 0.000 0.260 283 G HA3 -0.281 3.681 3.960 0.003 0.000 0.260 283 G C 0.999 175.927 174.900 0.046 0.000 0.976 283 G CA 0.530 45.655 45.100 0.041 0.000 0.655 283 G HN 1.361 nan 8.290 nan 0.000 0.533 284 A N -0.724 122.129 122.820 0.054 0.000 1.917 284 A HA 0.505 4.827 4.320 0.003 0.000 0.219 284 A C 1.607 179.218 177.584 0.045 0.000 1.182 284 A CA 2.576 54.647 52.037 0.056 0.000 0.633 284 A CB -0.173 18.866 19.000 0.064 0.000 0.819 284 A HN 2.394 nan 8.150 nan 0.000 0.448 285 A N -2.817 120.030 122.820 0.044 0.000 2.609 285 A HA 0.691 5.013 4.320 0.003 0.000 0.291 285 A C -0.174 177.434 177.584 0.040 0.000 1.096 285 A CA -0.122 51.940 52.037 0.041 0.000 0.684 285 A CB 0.245 19.271 19.000 0.044 0.000 1.282 285 A HN 1.498 nan 8.150 nan 0.000 0.412 286 A N 0.316 123.157 122.820 0.035 0.000 2.425 286 A HA 0.642 4.964 4.320 0.003 0.000 0.249 286 A C 0.663 178.264 177.584 0.029 0.000 1.084 286 A CA 0.443 52.496 52.037 0.028 0.000 0.781 286 A CB -0.101 18.910 19.000 0.018 0.000 1.019 286 A HN 2.332 nan 8.150 nan 0.000 0.490 287 A N 1.207 124.040 122.820 0.021 0.000 2.286 287 A HA 0.500 4.822 4.320 0.003 0.000 0.286 287 A C 0.454 178.007 177.584 -0.051 0.000 1.097 287 A CA -0.385 51.663 52.037 0.017 0.000 0.821 287 A CB -0.043 18.980 19.000 0.039 0.000 1.076 287 A HN 1.024 nan 8.150 nan 0.000 0.490 288 C N 1.423 120.667 119.300 -0.094 0.000 2.502 288 C HA 0.113 4.575 4.460 0.003 0.000 0.404 288 C C 0.608 175.277 174.990 -0.535 0.000 1.409 288 C CA 0.562 59.386 59.018 -0.323 0.000 1.648 288 C CB -1.034 26.453 27.740 -0.423 0.000 2.571 288 C HN 0.805 nan 8.230 nan 0.000 0.601 289 D N 1.335 121.434 120.400 -0.502 0.000 2.454 289 D HA 0.316 4.958 4.640 0.003 0.000 0.225 289 D C -0.009 176.015 176.300 -0.461 0.000 1.081 289 D CA -0.482 53.295 54.000 -0.372 0.000 0.864 289 D CB 0.151 40.862 40.800 -0.148 0.000 1.040 289 D HN 0.485 nan 8.370 nan 0.000 0.517 290 F N 1.432 121.267 119.950 -0.192 0.000 2.731 290 F HA 0.143 4.676 4.527 0.010 0.000 0.304 290 F C 1.261 176.919 175.800 -0.238 0.000 1.133 290 F CA -0.027 57.848 58.000 -0.208 0.000 1.380 290 F CB 0.132 39.016 39.000 -0.194 0.000 1.079 290 F HN 0.512 nan 8.300 nan 0.000 0.550 291 H N -1.212 117.917 119.070 0.098 0.000 2.517 291 H HA 0.136 4.694 4.556 0.003 0.000 0.282 291 H C 0.597 175.942 175.328 0.028 0.000 1.023 291 H CA 0.041 56.124 56.048 0.059 0.000 1.169 291 H CB 0.242 30.030 29.762 0.042 0.000 1.454 291 H HN 0.054 nan 8.280 nan 0.000 0.556 292 T N -1.595 113.009 114.554 0.082 0.000 2.876 292 T HA 0.713 5.065 4.350 0.003 0.000 0.289 292 T C 0.148 174.862 174.700 0.022 0.000 1.014 292 T CA -1.042 61.083 62.100 0.041 0.000 0.986 292 T CB 2.161 71.034 68.868 0.010 0.000 1.021 292 T HN 0.199 nan 8.240 nan 0.000 0.458 293 A N 2.401 125.230 122.820 0.015 0.000 2.445 293 A HA 0.694 5.016 4.320 0.003 0.000 0.242 293 A C 0.666 178.239 177.584 -0.017 0.000 1.075 293 A CA -0.070 51.965 52.037 -0.002 0.000 0.777 293 A CB -0.367 18.630 19.000 -0.005 0.000 1.013 293 A HN 1.957 nan 8.150 nan 0.000 0.493 294 S N -0.008 115.665 115.700 -0.044 0.000 2.587 294 S HA 0.743 5.215 4.470 0.003 0.000 0.269 294 S C -0.715 173.820 174.600 -0.107 0.000 1.154 294 S CA -0.063 58.109 58.200 -0.046 0.000 0.824 294 S CB 1.121 64.315 63.200 -0.011 0.000 1.118 294 S HN 2.092 nan 8.310 nan 0.000 0.462 295 S N 0.524 116.199 115.700 -0.042 0.000 2.536 295 S HA 0.772 5.244 4.470 0.003 0.000 0.287 295 S C -1.763 172.937 174.600 0.166 0.000 1.101 295 S CA -0.671 57.506 58.200 -0.038 0.000 0.950 295 S CB 0.751 63.951 63.200 0.000 0.000 1.056 295 S HN 0.752 nan 8.310 nan 0.000 0.481 296 W N 1.887 123.207 121.300 0.032 0.000 2.294 296 W HA 0.509 5.170 4.660 0.003 0.000 0.314 296 W C 0.113 176.552 176.519 -0.135 0.000 1.044 296 W CA -1.101 56.252 57.345 0.013 0.000 1.284 296 W CB 0.288 29.766 29.460 0.030 0.000 1.231 296 W HN 0.753 nan 8.180 nan 0.000 0.419 297 E N 1.956 122.152 120.200 -0.006 0.000 2.204 297 E HA 0.565 4.917 4.350 0.003 0.000 0.276 297 E C -1.227 175.158 176.600 -0.358 0.000 0.974 297 E CA -0.716 55.632 56.400 -0.086 0.000 0.815 297 E CB 1.562 31.238 29.700 -0.042 0.000 1.119 297 E HN 0.072 nan 8.360 nan 0.000 0.393 298 F N 1.448 121.497 119.950 0.164 0.000 2.540 298 F HA 0.316 4.847 4.527 0.007 0.000 0.317 298 F C 0.028 175.877 175.800 0.081 0.000 1.104 298 F CA -0.769 57.302 58.000 0.119 0.000 0.913 298 F CB 1.806 40.849 39.000 0.072 0.000 1.170 298 F HN 0.364 nan 8.300 nan 0.000 0.450 299 E N 2.359 122.702 120.200 0.238 0.000 2.390 299 E HA 0.560 4.912 4.350 0.003 0.000 0.277 299 E C -3.273 173.409 176.600 0.137 0.000 0.939 299 E CA -2.552 53.941 56.400 0.155 0.000 0.769 299 E CB 2.702 32.464 29.700 0.103 0.000 1.251 299 E HN 0.121 nan 8.360 nan 0.000 0.450 300 P HA 0.078 nan 4.420 nan 0.000 0.274 300 P C -0.509 176.846 177.300 0.092 0.000 1.231 300 P CA -0.634 62.523 63.100 0.095 0.000 0.790 300 P CB 0.689 32.438 31.700 0.083 0.000 0.951 301 L N 2.256 123.531 121.223 0.087 0.000 2.416 301 L HA 0.184 4.526 4.340 0.003 0.000 0.272 301 L C 0.375 177.328 176.870 0.140 0.000 1.161 301 L CA 0.278 55.173 54.840 0.092 0.000 0.845 301 L CB -0.363 41.743 42.059 0.079 0.000 1.119 301 L HN 0.242 nan 8.230 nan 0.000 0.464 302 D N 2.461 122.989 120.400 0.213 0.000 2.435 302 D HA 0.037 4.679 4.640 0.003 0.000 0.230 302 D C 1.168 177.637 176.300 0.283 0.000 1.215 302 D CA 0.455 54.608 54.000 0.254 0.000 0.947 302 D CB 0.859 41.856 40.800 0.329 0.000 1.048 302 D HN 0.767 nan 8.370 nan 0.000 0.512 303 T N 0.091 114.753 114.554 0.179 0.000 2.962 303 T HA -0.133 4.219 4.350 0.003 0.000 0.270 303 T C 1.197 175.964 174.700 0.112 0.000 1.088 303 T CA 0.603 62.794 62.100 0.152 0.000 1.127 303 T CB 0.208 69.138 68.868 0.103 0.000 0.883 303 T HN 0.159 nan 8.240 nan 0.000 0.493 304 D N 1.479 121.932 120.400 0.087 0.000 2.084 304 D HA -0.037 4.605 4.640 0.003 0.000 0.196 304 D C 2.279 178.568 176.300 -0.018 0.000 0.985 304 D CA 1.046 55.068 54.000 0.036 0.000 0.826 304 D CB -0.330 40.490 40.800 0.033 0.000 0.978 304 D HN 0.354 nan 8.370 nan 0.000 0.456 305 V N -0.232 119.655 119.914 -0.045 0.000 2.871 305 V HA -0.067 4.055 4.120 0.003 0.000 0.256 305 V C 0.460 176.196 176.094 -0.596 0.000 1.082 305 V CA 0.846 62.962 62.300 -0.306 0.000 1.105 305 V CB -0.341 31.282 31.823 -0.334 0.000 0.713 305 V HN 0.022 nan 8.190 nan 0.000 0.473 306 F N 1.142 121.134 119.950 0.069 0.000 2.686 306 F HA 0.416 4.946 4.527 0.006 0.000 0.365 306 F C -1.902 173.928 175.800 0.051 0.000 1.196 306 F CA -1.818 56.220 58.000 0.063 0.000 1.198 306 F CB 1.302 40.353 39.000 0.085 0.000 1.454 306 F HN -0.012 nan 8.300 nan 0.000 0.539 307 P HA 0.061 nan 4.420 nan 0.000 0.249 307 P C 1.303 178.675 177.300 0.121 0.000 1.229 307 P CA 0.479 63.641 63.100 0.104 0.000 0.788 307 P CB 0.450 32.180 31.700 0.049 0.000 1.072 308 A N 0.552 123.464 122.820 0.154 0.000 1.948 308 A HA -0.148 4.174 4.320 0.003 0.000 0.220 308 A C 2.274 179.977 177.584 0.199 0.000 1.177 308 A CA 1.915 54.065 52.037 0.188 0.000 0.636 308 A CB -1.588 17.519 19.000 0.178 0.000 0.815 308 A HN 0.102 nan 8.150 nan 0.000 0.449 309 V N 0.240 120.240 119.914 0.144 0.000 2.427 309 V HA -0.172 3.950 4.120 0.003 0.000 0.248 309 V C 2.488 178.605 176.094 0.038 0.000 1.051 309 V CA 1.954 64.309 62.300 0.092 0.000 1.048 309 V CB -0.693 31.185 31.823 0.093 0.000 0.666 309 V HN 0.527 nan 8.190 nan 0.000 0.456 310 E N 0.307 120.538 120.200 0.051 0.000 2.106 310 E HA -0.136 4.216 4.350 0.003 0.000 0.192 310 E C 2.233 178.822 176.600 -0.018 0.000 0.984 310 E CA 0.981 57.390 56.400 0.015 0.000 0.806 310 E CB -0.406 29.314 29.700 0.033 0.000 0.750 310 E HN 0.496 nan 8.360 nan 0.000 0.458 311 L N 0.607 121.852 121.223 0.035 0.000 2.046 311 L HA -0.161 4.181 4.340 0.003 0.000 0.208 311 L C 2.513 179.319 176.870 -0.106 0.000 1.077 311 L CA 1.188 56.063 54.840 0.059 0.000 0.747 311 L CB -0.544 41.650 42.059 0.225 0.000 0.896 311 L HN 0.077 nan 8.230 nan 0.000 0.432 312 A N -0.056 122.594 122.820 -0.284 0.000 1.933 312 A HA -0.192 4.130 4.320 0.003 0.000 0.218 312 A C 2.381 179.670 177.584 -0.492 0.000 1.175 312 A CA 1.321 52.929 52.037 -0.714 0.000 0.628 312 A CB -0.426 18.222 19.000 -0.586 0.000 0.814 312 A HN 0.308 nan 8.150 nan 0.000 0.444 313 R N -0.620 119.669 120.500 -0.351 0.000 2.073 313 R HA -0.170 4.172 4.340 0.003 0.000 0.234 313 R C 2.483 178.441 176.300 -0.570 0.000 1.134 313 R CA 1.851 57.639 56.100 -0.519 0.000 0.952 313 R CB -0.369 29.800 30.300 -0.219 0.000 0.850 313 R HN 0.698 nan 8.270 nan 0.000 0.433 314 Q N -0.069 119.546 119.800 -0.308 0.000 2.079 314 Q HA -0.092 4.250 4.340 0.003 0.000 0.200 314 Q C 2.190 178.057 176.000 -0.222 0.000 0.974 314 Q CA 1.521 57.195 55.803 -0.216 0.000 0.840 314 Q CB -0.139 28.542 28.738 -0.095 0.000 0.898 314 Q HN 0.353 nan 8.270 nan 0.000 0.430 315 A N 0.927 123.611 122.820 -0.227 0.000 1.902 315 A HA -0.122 4.200 4.320 0.003 0.000 0.217 315 A C 2.281 179.723 177.584 -0.236 0.000 1.181 315 A CA 1.679 53.614 52.037 -0.170 0.000 0.623 315 A CB -1.174 17.731 19.000 -0.158 0.000 0.818 315 A HN 0.481 nan 8.150 nan 0.000 0.443 316 G N -0.819 107.708 108.800 -0.456 0.000 2.408 316 G HA2 -0.052 3.910 3.960 0.003 0.000 0.217 316 G HA3 -0.052 3.910 3.960 0.003 0.000 0.217 316 G C 1.484 176.114 174.900 -0.451 0.000 1.150 316 G CA 1.116 45.903 45.100 -0.521 0.000 0.776 316 G HN 0.306 nan 8.290 nan 0.000 0.542 317 V N 1.505 121.078 119.914 -0.568 0.000 2.427 317 V HA -0.104 4.018 4.120 0.003 0.000 0.248 317 V C 3.305 179.327 176.094 -0.119 0.000 1.051 317 V CA 1.887 64.026 62.300 -0.269 0.000 1.048 317 V CB -0.667 31.016 31.823 -0.232 0.000 0.666 317 V HN 0.459 nan 8.190 nan 0.000 0.456 318 A N -0.792 121.958 122.820 -0.116 0.000 1.933 318 A HA 0.239 4.561 4.320 0.003 0.000 0.218 318 A C 1.701 179.273 177.584 -0.020 0.000 1.175 318 A CA 1.629 53.634 52.037 -0.053 0.000 0.628 318 A CB -0.940 18.036 19.000 -0.041 0.000 0.814 318 A HN 1.188 nan 8.150 nan 0.000 0.444 319 G N -2.759 106.032 108.800 -0.016 0.000 2.645 319 G HA2 0.259 4.221 3.960 0.003 0.000 0.239 319 G HA3 0.259 4.221 3.960 0.003 0.000 0.239 319 G C 1.222 176.147 174.900 0.042 0.000 1.331 319 G CA 0.666 45.784 45.100 0.030 0.000 0.890 319 G HN 2.343 nan 8.290 nan 0.000 0.572 320 G N -2.173 106.659 108.800 0.053 0.000 2.557 320 G HA2 -0.162 3.800 3.960 0.003 0.000 0.292 320 G HA3 -0.162 3.800 3.960 0.003 0.000 0.292 320 G C 1.328 176.272 174.900 0.074 0.000 1.162 320 G CA 1.704 46.841 45.100 0.061 0.000 0.964 320 G HN 2.195 nan 8.290 nan 0.000 0.541 321 C N 1.427 120.792 119.300 0.109 0.000 2.780 321 C HA 0.474 4.936 4.460 0.003 0.000 0.287 321 C C 2.653 177.697 174.990 0.090 0.000 1.288 321 C CA 0.645 59.723 59.018 0.100 0.000 1.713 321 C CB -0.862 26.970 27.740 0.154 0.000 1.955 321 C HN 0.526 nan 8.230 nan 0.000 0.613 322 M N 1.694 121.354 119.600 0.099 0.000 2.254 322 M HA -0.074 4.409 4.480 0.003 0.000 0.265 322 M C 2.415 178.769 176.300 0.090 0.000 1.066 322 M CA 1.775 57.134 55.300 0.098 0.000 1.123 322 M CB -1.373 31.267 32.600 0.067 0.000 1.388 322 M HN 0.657 nan 8.290 nan 0.000 0.425 323 T N -1.671 112.922 114.554 0.064 0.000 2.904 323 T HA 0.085 4.437 4.350 0.003 0.000 0.267 323 T C 1.901 176.673 174.700 0.121 0.000 1.059 323 T CA 1.054 63.200 62.100 0.076 0.000 1.137 323 T CB -0.446 68.443 68.868 0.036 0.000 0.879 323 T HN 0.291 nan 8.240 nan 0.000 0.467 324 A N 1.144 124.004 122.820 0.067 0.000 1.972 324 A HA 0.089 4.412 4.320 0.003 0.000 0.219 324 A C 2.562 180.160 177.584 0.024 0.000 1.169 324 A CA 1.409 53.464 52.037 0.030 0.000 0.635 324 A CB -1.015 17.972 19.000 -0.021 0.000 0.810 324 A HN 0.413 nan 8.150 nan 0.000 0.446 325 V N -1.526 118.415 119.914 0.044 0.000 2.323 325 V HA -0.253 3.870 4.120 0.003 0.000 0.244 325 V C 2.306 178.468 176.094 0.114 0.000 1.041 325 V CA 1.942 64.284 62.300 0.070 0.000 1.025 325 V CB -1.012 30.887 31.823 0.126 0.000 0.656 325 V HN 0.730 nan 8.190 nan 0.000 0.451 326 Y N 1.912 122.227 120.300 0.025 0.000 2.128 326 Y HA -0.330 4.221 4.550 0.002 0.000 0.284 326 Y C 2.511 178.416 175.900 0.007 0.000 1.154 326 Y CA 2.491 60.602 58.100 0.019 0.000 1.149 326 Y CB -0.331 38.137 38.460 0.013 0.000 0.976 326 Y HN 0.394 nan 8.280 nan 0.000 0.505 327 N N 0.209 118.983 118.700 0.122 0.000 2.171 327 N HA -0.127 4.615 4.740 0.003 0.000 0.184 327 N C 1.816 177.293 175.510 -0.055 0.000 1.021 327 N CA 1.559 54.621 53.050 0.020 0.000 0.854 327 N CB -0.545 38.002 38.487 0.100 0.000 0.994 327 N HN 0.449 nan 8.380 nan 0.000 0.426 328 A N 0.208 123.007 122.820 -0.035 0.000 1.930 328 A HA 0.146 4.468 4.320 0.003 0.000 0.217 328 A C 2.310 179.847 177.584 -0.079 0.000 1.175 328 A CA 1.623 53.628 52.037 -0.053 0.000 0.627 328 A CB -1.119 17.849 19.000 -0.052 0.000 0.815 328 A HN 0.429 nan 8.150 nan 0.000 0.443 329 A N 0.427 123.193 122.820 -0.090 0.000 1.902 329 A HA -0.224 4.098 4.320 0.003 0.000 0.217 329 A C 1.959 179.457 177.584 -0.144 0.000 1.181 329 A CA 2.117 54.087 52.037 -0.111 0.000 0.623 329 A CB -0.753 18.191 19.000 -0.095 0.000 0.818 329 A HN 0.639 nan 8.150 nan 0.000 0.443 330 N N -0.208 118.370 118.700 -0.204 0.000 2.084 330 N HA -0.177 4.565 4.740 0.003 0.000 0.190 330 N C 1.633 177.076 175.510 -0.112 0.000 1.030 330 N CA 1.916 54.845 53.050 -0.201 0.000 0.849 330 N CB -0.327 37.993 38.487 -0.278 0.000 1.012 330 N HN 0.594 nan 8.380 nan 0.000 0.423 331 E N -0.426 119.723 120.200 -0.084 0.000 2.114 331 E HA -0.225 4.127 4.350 0.003 0.000 0.199 331 E C 1.577 178.155 176.600 -0.038 0.000 1.008 331 E CA 1.267 57.640 56.400 -0.046 0.000 0.810 331 E CB -0.015 29.662 29.700 -0.037 0.000 0.739 331 E HN 0.460 nan 8.360 nan 0.000 0.456 332 E N -0.185 119.982 120.200 -0.054 0.000 2.076 332 E HA -0.059 4.293 4.350 0.003 0.000 0.190 332 E C 2.014 178.592 176.600 -0.035 0.000 0.979 332 E CA 0.892 57.264 56.400 -0.047 0.000 0.807 332 E CB -0.242 29.418 29.700 -0.066 0.000 0.761 332 E HN 0.238 nan 8.360 nan 0.000 0.454 333 A N 1.575 124.364 122.820 -0.051 0.000 1.930 333 A HA -0.015 4.307 4.320 0.003 0.000 0.217 333 A C 2.385 179.976 177.584 0.011 0.000 1.175 333 A CA 1.818 53.832 52.037 -0.038 0.000 0.627 333 A CB -0.473 18.477 19.000 -0.083 0.000 0.815 333 A HN 0.241 nan 8.150 nan 0.000 0.443 334 A N -0.029 122.793 122.820 0.003 0.000 1.898 334 A HA 0.185 4.507 4.320 0.003 0.000 0.216 334 A C 2.494 180.156 177.584 0.129 0.000 1.181 334 A CA 1.955 54.035 52.037 0.072 0.000 0.620 334 A CB -0.995 18.024 19.000 0.032 0.000 0.819 334 A HN 1.027 nan 8.150 nan 0.000 0.442 335 A N -0.147 122.711 122.820 0.064 0.000 1.933 335 A HA 0.153 4.475 4.320 0.003 0.000 0.218 335 A C 2.466 180.078 177.584 0.047 0.000 1.175 335 A CA 2.060 54.126 52.037 0.048 0.000 0.628 335 A CB -0.912 18.097 19.000 0.016 0.000 0.814 335 A HN 1.035 nan 8.150 nan 0.000 0.444 336 A N -1.238 121.613 122.820 0.052 0.000 1.930 336 A HA 0.016 4.338 4.320 0.003 0.000 0.217 336 A C 2.013 179.647 177.584 0.083 0.000 1.175 336 A CA 1.497 53.561 52.037 0.046 0.000 0.627 336 A CB -0.662 18.357 19.000 0.032 0.000 0.815 336 A HN 0.705 nan 8.150 nan 0.000 0.443 337 F N 0.707 120.659 119.950 0.003 0.000 2.102 337 F HA -0.101 4.426 4.527 0.000 0.000 0.298 337 F C 1.791 177.619 175.800 0.047 0.000 1.105 337 F CA 1.628 59.648 58.000 0.033 0.000 1.239 337 F CB -0.299 38.733 39.000 0.054 0.000 0.991 337 F HN 0.122 nan 8.300 nan 0.000 0.474 338 L N -0.080 121.108 121.223 -0.059 0.000 2.275 338 L HA -0.108 4.234 4.340 0.003 0.000 0.215 338 L C 2.416 179.194 176.870 -0.153 0.000 1.119 338 L CA 0.965 55.715 54.840 -0.150 0.000 0.790 338 L CB -0.928 41.148 42.059 0.029 0.000 0.919 338 L HN 0.289 nan 8.230 nan 0.000 0.443 339 A N -0.773 121.988 122.820 -0.099 0.000 2.275 339 A HA 0.352 4.674 4.320 0.003 0.000 0.212 339 A C 1.692 179.222 177.584 -0.091 0.000 1.201 339 A CA 0.663 52.656 52.037 -0.074 0.000 0.843 339 A CB -0.123 18.856 19.000 -0.036 0.000 0.873 339 A HN 0.474 nan 8.150 nan 0.000 0.492 340 G N -0.588 108.125 108.800 -0.145 0.000 2.141 340 G HA2 -0.293 3.669 3.960 0.003 0.000 0.242 340 G HA3 -0.293 3.669 3.960 0.003 0.000 0.242 340 G C 1.004 175.869 174.900 -0.058 0.000 0.982 340 G CA 0.796 45.818 45.100 -0.129 0.000 0.662 340 G HN 0.604 nan 8.290 nan 0.000 0.527 341 R N 0.717 121.198 120.500 -0.031 0.000 2.100 341 R HA 0.417 4.760 4.340 0.003 0.000 0.220 341 R C 1.444 177.759 176.300 0.024 0.000 1.091 341 R CA 1.676 57.774 56.100 -0.002 0.000 0.986 341 R CB -0.166 30.133 30.300 -0.002 0.000 0.888 341 R HN 1.021 nan 8.270 nan 0.000 0.444 342 I N -3.212 117.395 120.570 0.063 0.000 3.145 342 I HA 0.723 4.895 4.170 0.003 0.000 0.313 342 I C 0.165 176.405 176.117 0.204 0.000 1.122 342 I CA -1.538 59.820 61.300 0.097 0.000 0.987 342 I CB 1.977 40.024 38.000 0.078 0.000 1.236 342 I HN 0.006 nan 8.210 nan 0.000 0.453 343 G N 0.669 109.574 108.800 0.174 0.000 2.528 343 G HA2 0.273 4.235 3.960 0.003 0.000 0.289 343 G HA3 0.273 4.235 3.960 0.003 0.000 0.289 343 G C -0.100 174.942 174.900 0.238 0.000 1.192 343 G CA -0.466 44.784 45.100 0.249 0.000 0.921 343 G HN 0.753 nan 8.290 nan 0.000 0.512 344 F N 1.776 121.723 119.950 -0.007 0.000 2.065 344 F HA -0.028 4.501 4.527 0.002 0.000 0.298 344 F C 0.070 175.691 175.800 -0.300 0.000 1.112 344 F CA 1.689 59.413 58.000 -0.460 0.000 1.212 344 F CB -0.547 38.161 39.000 -0.487 0.000 0.975 344 F HN 0.301 nan 8.300 nan 0.000 0.476 345 P HA -0.112 nan 4.420 nan 0.000 0.223 345 P C 1.096 178.275 177.300 -0.202 0.000 1.144 345 P CA 1.717 64.702 63.100 -0.191 0.000 0.783 345 P CB -0.360 31.280 31.700 -0.099 0.000 0.771 346 A N -1.083 121.639 122.820 -0.164 0.000 2.067 346 A HA -0.047 4.275 4.320 0.003 0.000 0.217 346 A C 2.022 179.510 177.584 -0.160 0.000 1.156 346 A CA 0.588 52.552 52.037 -0.121 0.000 0.683 346 A CB -1.253 17.716 19.000 -0.053 0.000 0.808 346 A HN 0.110 nan 8.150 nan 0.000 0.455 347 I N -0.456 119.956 120.570 -0.262 0.000 2.127 347 I HA -0.236 3.936 4.170 0.003 0.000 0.241 347 I C 2.177 178.155 176.117 -0.232 0.000 1.075 347 I CA 1.454 62.590 61.300 -0.273 0.000 1.334 347 I CB -0.289 37.448 38.000 -0.438 0.000 1.040 347 I HN 0.147 nan 8.210 nan 0.000 0.405 348 V N 0.703 120.466 119.914 -0.251 0.000 2.788 348 V HA -0.039 4.083 4.120 0.003 0.000 0.251 348 V C 2.455 178.481 176.094 -0.114 0.000 1.068 348 V CA 1.584 63.782 62.300 -0.169 0.000 1.090 348 V CB -0.906 30.830 31.823 -0.145 0.000 0.710 348 V HN 0.560 nan 8.190 nan 0.000 0.467 349 G N 0.301 109.029 108.800 -0.121 0.000 2.418 349 G HA2 -0.200 3.762 3.960 0.003 0.000 0.217 349 G HA3 -0.200 3.762 3.960 0.003 0.000 0.217 349 G C 1.564 176.424 174.900 -0.067 0.000 1.158 349 G CA 0.886 45.935 45.100 -0.084 0.000 0.771 349 G HN 0.483 nan 8.290 nan 0.000 0.545 350 I N 0.520 121.042 120.570 -0.080 0.000 2.252 350 I HA -0.090 4.082 4.170 0.003 0.000 0.245 350 I C 2.634 178.717 176.117 -0.057 0.000 1.102 350 I CA 0.590 61.850 61.300 -0.067 0.000 1.385 350 I CB -0.175 37.779 38.000 -0.077 0.000 1.064 350 I HN 0.138 nan 8.210 nan 0.000 0.414 351 I N 0.944 121.463 120.570 -0.084 0.000 2.151 351 I HA -0.366 3.806 4.170 0.003 0.000 0.243 351 I C 2.820 178.946 176.117 0.015 0.000 1.080 351 I CA 1.631 62.887 61.300 -0.074 0.000 1.339 351 I CB -0.610 37.290 38.000 -0.167 0.000 1.039 351 I HN 0.216 nan 8.210 nan 0.000 0.409 352 A N 0.287 123.116 122.820 0.016 0.000 1.908 352 A HA -0.316 4.006 4.320 0.003 0.000 0.218 352 A C 2.006 179.637 177.584 0.078 0.000 1.181 352 A CA 2.424 54.492 52.037 0.051 0.000 0.627 352 A CB -0.745 18.265 19.000 0.016 0.000 0.818 352 A HN 0.476 nan 8.150 nan 0.000 0.445 353 D N -0.570 119.856 120.400 0.044 0.000 2.097 353 D HA -0.112 4.530 4.640 0.003 0.000 0.195 353 D C 1.869 178.254 176.300 0.140 0.000 0.989 353 D CA 1.553 55.593 54.000 0.067 0.000 0.827 353 D CB -0.141 40.668 40.800 0.014 0.000 0.966 353 D HN 0.148 nan 8.370 nan 0.000 0.456 354 V N 0.548 120.524 119.914 0.102 0.000 2.295 354 V HA -0.215 3.907 4.120 0.003 0.000 0.246 354 V C 2.716 178.989 176.094 0.300 0.000 1.049 354 V CA 1.290 63.680 62.300 0.150 0.000 1.024 354 V CB -0.555 31.299 31.823 0.053 0.000 0.648 354 V HN 0.295 nan 8.190 nan 0.000 0.447 355 L N -0.429 120.934 121.223 0.234 0.000 2.127 355 L HA -0.234 4.108 4.340 0.003 0.000 0.211 355 L C 2.570 179.571 176.870 0.217 0.000 1.089 355 L CA 1.964 56.942 54.840 0.230 0.000 0.757 355 L CB -0.741 41.430 42.059 0.186 0.000 0.899 355 L HN 0.487 nan 8.230 nan 0.000 0.434 356 H N -0.123 119.024 119.070 0.128 0.000 2.457 356 H HA -0.073 4.485 4.556 0.003 0.000 0.294 356 H C 1.895 177.300 175.328 0.129 0.000 1.064 356 H CA 1.317 57.425 56.048 0.100 0.000 1.330 356 H CB 0.247 30.052 29.762 0.073 0.000 1.395 356 H HN 0.278 nan 8.280 nan 0.000 0.541 357 A N -0.292 122.652 122.820 0.208 0.000 2.308 357 A HA 0.494 4.816 4.320 0.003 0.000 0.217 357 A C 1.692 179.430 177.584 0.257 0.000 1.216 357 A CA 0.377 52.556 52.037 0.236 0.000 0.864 357 A CB -0.284 18.953 19.000 0.396 0.000 0.902 357 A HN 0.465 nan 8.150 nan 0.000 0.499 358 A N 0.106 123.040 122.820 0.190 0.000 2.734 358 A HA 0.352 4.674 4.320 0.003 0.000 0.279 358 A C 0.707 178.212 177.584 -0.132 0.000 1.386 358 A CA 0.279 52.324 52.037 0.013 0.000 0.987 358 A CB -0.657 18.495 19.000 0.254 0.000 1.041 358 A HN 0.378 nan 8.150 nan 0.000 0.569 359 D N 0.917 121.199 120.400 -0.197 0.000 2.154 359 D HA -0.314 4.329 4.640 0.003 0.000 0.190 359 D C 2.213 178.320 176.300 -0.322 0.000 1.003 359 D CA 2.256 56.124 54.000 -0.220 0.000 0.849 359 D CB -0.147 40.531 40.800 -0.204 0.000 0.942 359 D HN 0.833 nan 8.370 nan 0.000 0.446 360 Q N -0.622 118.830 119.800 -0.580 0.000 2.437 360 Q HA -0.113 4.229 4.340 0.003 0.000 0.210 360 Q C 0.999 176.543 176.000 -0.761 0.000 0.972 360 Q CA 0.702 56.055 55.803 -0.751 0.000 0.903 360 Q CB -0.516 27.597 28.738 -1.042 0.000 0.967 360 Q HN 0.512 nan 8.270 nan 0.000 0.486 361 W N 0.177 121.322 121.300 -0.258 0.000 3.345 361 W HA 0.442 5.104 4.660 0.005 0.000 0.282 361 W C 1.675 178.127 176.519 -0.111 0.000 1.302 361 W CA -0.108 57.123 57.345 -0.191 0.000 1.724 361 W CB 0.392 29.722 29.460 -0.216 0.000 1.104 361 W HN 0.219 nan 8.180 nan 0.000 0.694 362 A N 0.063 122.889 122.820 0.011 0.000 2.206 362 A HA 0.096 4.418 4.320 0.003 0.000 0.211 362 A C 0.839 178.425 177.584 0.003 0.000 1.158 362 A CA 0.392 52.432 52.037 0.006 0.000 0.761 362 A CB -0.500 18.479 19.000 -0.035 0.000 0.801 362 A HN -0.025 nan 8.150 nan 0.000 0.473 363 V N 1.926 121.833 119.914 -0.010 0.000 2.715 363 V HA 0.061 4.183 4.120 0.003 0.000 0.299 363 V C 0.260 176.378 176.094 0.039 0.000 1.054 363 V CA -0.621 61.675 62.300 -0.007 0.000 1.077 363 V CB 0.795 32.590 31.823 -0.045 0.000 0.972 363 V HN 0.428 nan 8.190 nan 0.000 0.484 364 E N 5.607 125.824 120.200 0.027 0.000 2.344 364 E HA 0.200 4.552 4.350 0.003 0.000 0.270 364 E C -2.223 174.401 176.600 0.041 0.000 1.021 364 E CA -1.544 54.877 56.400 0.035 0.000 0.887 364 E CB 0.518 30.231 29.700 0.022 0.000 0.997 364 E HN 0.481 nan 8.360 nan 0.000 0.429 365 P HA 0.060 nan 4.420 nan 0.000 0.271 365 P C -0.240 177.077 177.300 0.027 0.000 1.220 365 P CA 0.052 63.179 63.100 0.046 0.000 0.768 365 P CB 1.159 32.884 31.700 0.041 0.000 0.848 366 A N 3.458 126.293 122.820 0.026 0.000 1.997 366 A HA 0.164 4.486 4.320 0.003 0.000 0.212 366 A C 1.093 178.684 177.584 0.012 0.000 1.178 366 A CA 1.413 53.459 52.037 0.015 0.000 0.698 366 A CB -0.461 18.547 19.000 0.013 0.000 0.842 366 A HN 0.648 nan 8.150 nan 0.000 0.458 367 T N -5.472 109.093 114.554 0.018 0.000 2.887 367 T HA 0.455 4.808 4.350 0.003 0.000 0.292 367 T C 0.832 175.539 174.700 0.013 0.000 1.087 367 T CA 0.105 62.212 62.100 0.012 0.000 1.009 367 T CB 1.184 70.060 68.868 0.013 0.000 1.203 367 T HN 0.042 nan 8.240 nan 0.000 0.518 368 V N 1.150 121.067 119.914 0.005 0.000 2.332 368 V HA -0.168 3.954 4.120 0.003 0.000 0.248 368 V C 2.421 178.518 176.094 0.005 0.000 1.055 368 V CA 2.240 64.540 62.300 0.001 0.000 1.038 368 V CB -0.759 31.061 31.823 -0.005 0.000 0.651 368 V HN 0.910 nan 8.190 nan 0.000 0.450 369 D N -0.173 120.235 120.400 0.013 0.000 2.218 369 D HA -0.159 4.483 4.640 0.003 0.000 0.204 369 D C 1.767 178.090 176.300 0.039 0.000 0.976 369 D CA 1.319 55.332 54.000 0.022 0.000 0.853 369 D CB -0.097 40.718 40.800 0.026 0.000 0.939 369 D HN 0.493 nan 8.370 nan 0.000 0.481 370 D N 0.512 120.941 120.400 0.049 0.000 2.097 370 D HA -0.104 4.538 4.640 0.003 0.000 0.197 370 D C 2.411 178.741 176.300 0.051 0.000 0.984 370 D CA 0.437 54.489 54.000 0.086 0.000 0.826 370 D CB -0.334 40.519 40.800 0.088 0.000 0.973 370 D HN 0.073 nan 8.370 nan 0.000 0.460 371 V N 1.414 121.337 119.914 0.015 0.000 2.287 371 V HA -0.240 3.882 4.120 0.003 0.000 0.248 371 V C 2.688 178.742 176.094 -0.068 0.000 1.053 371 V CA 1.281 63.566 62.300 -0.025 0.000 1.027 371 V CB -0.582 31.232 31.823 -0.015 0.000 0.646 371 V HN 0.188 nan 8.190 nan 0.000 0.447 372 L N -0.322 120.876 121.223 -0.041 0.000 2.046 372 L HA -0.179 4.163 4.340 0.003 0.000 0.208 372 L C 2.410 179.237 176.870 -0.071 0.000 1.077 372 L CA 1.558 56.370 54.840 -0.046 0.000 0.747 372 L CB -0.872 41.176 42.059 -0.017 0.000 0.896 372 L HN 0.317 nan 8.230 nan 0.000 0.432 373 D N 0.504 120.875 120.400 -0.047 0.000 2.116 373 D HA -0.208 4.434 4.640 0.003 0.000 0.193 373 D C 2.244 178.313 176.300 -0.385 0.000 0.998 373 D CA 1.707 55.682 54.000 -0.041 0.000 0.836 373 D CB -0.162 40.735 40.800 0.161 0.000 0.951 373 D HN 0.327 nan 8.370 nan 0.000 0.449 374 A N 0.701 123.080 122.820 -0.734 0.000 1.883 374 A HA -0.258 4.064 4.320 0.003 0.000 0.217 374 A C 2.151 179.373 177.584 -0.605 0.000 1.186 374 A CA 1.754 53.000 52.037 -1.318 0.000 0.624 374 A CB -0.700 17.799 19.000 -0.834 0.000 0.822 374 A HN 0.253 nan 8.150 nan 0.000 0.444 375 Q N -1.122 118.497 119.800 -0.302 0.000 2.050 375 Q HA -0.196 4.146 4.340 0.003 0.000 0.202 375 Q C 2.422 178.357 176.000 -0.108 0.000 0.980 375 Q CA 1.598 57.309 55.803 -0.153 0.000 0.840 375 Q CB -0.234 28.445 28.738 -0.098 0.000 0.898 375 Q HN 0.678 nan 8.270 nan 0.000 0.424 376 R N -0.026 120.420 120.500 -0.090 0.000 2.096 376 R HA -0.223 4.119 4.340 0.003 0.000 0.240 376 R C 1.972 178.268 176.300 -0.007 0.000 1.139 376 R CA 1.915 57.994 56.100 -0.036 0.000 0.952 376 R CB -0.398 29.901 30.300 -0.000 0.000 0.854 376 R HN 0.404 nan 8.270 nan 0.000 0.436 377 W N 0.689 121.879 121.300 -0.182 0.000 2.355 377 W HA -0.170 4.492 4.660 0.003 0.000 0.309 377 W C 2.082 178.544 176.519 -0.095 0.000 1.206 377 W CA 2.099 59.389 57.345 -0.090 0.000 1.284 377 W CB -0.391 29.054 29.460 -0.025 0.000 1.145 377 W HN 0.224 nan 8.180 nan 0.000 0.502 378 A N 0.787 123.630 122.820 0.038 0.000 1.908 378 A HA -0.205 4.117 4.320 0.003 0.000 0.218 378 A C 2.006 179.456 177.584 -0.223 0.000 1.181 378 A CA 1.893 53.871 52.037 -0.097 0.000 0.627 378 A CB -0.796 18.220 19.000 0.027 0.000 0.818 378 A HN 0.426 nan 8.150 nan 0.000 0.445 379 R N -0.813 119.590 120.500 -0.162 0.000 2.081 379 R HA -0.146 4.196 4.340 0.003 0.000 0.235 379 R C 2.322 178.513 176.300 -0.183 0.000 1.131 379 R CA 1.529 57.544 56.100 -0.142 0.000 0.960 379 R CB -0.312 29.931 30.300 -0.095 0.000 0.856 379 R HN 0.770 nan 8.270 nan 0.000 0.436 380 E N 0.510 120.571 120.200 -0.232 0.000 2.051 380 E HA -0.234 4.118 4.350 0.003 0.000 0.192 380 E C 2.078 178.489 176.600 -0.316 0.000 0.991 380 E CA 1.072 57.328 56.400 -0.240 0.000 0.799 380 E CB 0.101 29.663 29.700 -0.230 0.000 0.748 380 E HN -0.013 nan 8.360 nan 0.000 0.449 381 R N 0.513 120.691 120.500 -0.535 0.000 2.115 381 R HA -0.035 4.307 4.340 0.003 0.000 0.230 381 R C 1.903 178.024 176.300 -0.299 0.000 1.111 381 R CA 1.532 57.308 56.100 -0.540 0.000 0.976 381 R CB -0.603 29.078 30.300 -1.032 0.000 0.870 381 R HN 0.199 nan 8.270 nan 0.000 0.445 382 A N 0.136 122.805 122.820 -0.251 0.000 1.930 382 A HA -0.182 4.140 4.320 0.003 0.000 0.217 382 A C 2.031 179.544 177.584 -0.118 0.000 1.175 382 A CA 1.480 53.426 52.037 -0.152 0.000 0.627 382 A CB -0.418 18.504 19.000 -0.129 0.000 0.815 382 A HN 0.513 nan 8.150 nan 0.000 0.443 383 Q N -0.718 119.008 119.800 -0.124 0.000 2.084 383 Q HA -0.117 4.225 4.340 0.003 0.000 0.202 383 Q C 2.327 178.278 176.000 -0.082 0.000 0.978 383 Q CA 1.549 57.297 55.803 -0.091 0.000 0.844 383 Q CB -0.181 28.504 28.738 -0.087 0.000 0.898 383 Q HN 0.585 nan 8.270 nan 0.000 0.426 384 R N 0.038 120.477 120.500 -0.102 0.000 2.120 384 R HA -0.094 4.248 4.340 0.003 0.000 0.234 384 R C 2.199 178.462 176.300 -0.062 0.000 1.123 384 R CA 1.071 57.124 56.100 -0.079 0.000 0.975 384 R CB -0.249 29.997 30.300 -0.089 0.000 0.866 384 R HN 0.244 nan 8.270 nan 0.000 0.446 385 A N 0.213 122.989 122.820 -0.072 0.000 1.930 385 A HA -0.088 4.234 4.320 0.003 0.000 0.217 385 A C 2.227 179.785 177.584 -0.043 0.000 1.175 385 A CA 1.135 53.140 52.037 -0.053 0.000 0.627 385 A CB -0.293 18.672 19.000 -0.059 0.000 0.815 385 A HN 0.127 nan 8.150 nan 0.000 0.443 386 V N -0.275 119.611 119.914 -0.046 0.000 2.358 386 V HA -0.177 3.945 4.120 0.003 0.000 0.246 386 V C 2.674 178.753 176.094 -0.026 0.000 1.047 386 V CA 2.190 64.470 62.300 -0.032 0.000 1.035 386 V CB -0.656 31.149 31.823 -0.031 0.000 0.658 386 V HN 0.533 nan 8.190 nan 0.000 0.452 387 S N 0.594 116.276 115.700 -0.030 0.000 2.442 387 S HA -0.092 4.380 4.470 0.003 0.000 0.236 387 S C 1.824 176.413 174.600 -0.019 0.000 1.007 387 S CA 1.146 59.331 58.200 -0.024 0.000 0.965 387 S CB -0.308 62.875 63.200 -0.028 0.000 0.773 387 S HN 0.706 nan 8.310 nan 0.000 0.504 388 G N 0.797 109.584 108.800 -0.021 0.000 3.088 388 G HA2 0.292 4.255 3.960 0.003 0.000 0.212 388 G HA3 0.292 4.255 3.960 0.003 0.000 0.212 388 G C 0.316 175.207 174.900 -0.014 0.000 1.173 388 G CA -0.163 44.927 45.100 -0.017 0.000 0.779 388 G HN 0.391 nan 8.290 nan 0.000 0.540 389 M N 0.000 119.592 119.600 -0.013 0.000 2.572 389 M HA 0.000 4.482 4.480 0.003 0.000 0.227 389 M CA 0.000 55.294 55.300 -0.009 0.000 0.988 389 M CB 0.000 32.594 32.600 -0.010 0.000 1.302 389 M HN 0.000 nan 8.290 nan 0.000 0.411