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 3fut_1_B DATA FIRST_RESID 3 DATA SEQUENCE KLASPQSVRA LLERHGLFXX XXFGQNFLVS EAHLRRIVEA ARPFTGPVFE DATA SEQUENCE VGPGLGALTR ALLEAGAEVT AIEKDLRLRP VLEETLSGLP VRLVFQDALL DATA SEQUENCE YPWEEVPQGS LLVANLPXXI ATPLVTRLLK TGRFARLVFL VQKEVAERXT DATA SEQUENCE ARPKTPAYGV LTLRVAHHAV AERLFDLPPG AFFPPPKVWS SLVRLTPTGA DATA SEQUENCE LDDPGLFRLV EAAFGKRRKT LLNALAAAGY PKARVEEALR ALGLPPRVRA DATA SEQUENCE EELDLEAFRR LREGLE VARS RESID RESNAME ATOMNAME SS_SHIFT SHIFT RC_SHIFT HM_SHIFT EF_SHIFT SIGMA FORMAT %4d %4s %4s %9.3f %9.3f %9.3f %9.3f %9.3f %9.3f 3 K HA 0.000 nan 4.320 nan 0.000 0.191 3 K C 0.000 176.593 176.600 -0.011 0.000 0.988 3 K CA 0.000 56.280 56.287 -0.012 0.000 0.838 3 K CB 0.000 32.492 32.500 -0.013 0.000 1.064 4 L N 1.971 123.191 121.223 -0.006 0.000 2.376 4 L HA 0.179 4.519 4.340 -0.000 0.000 0.219 4 L C 1.196 178.073 176.870 0.011 0.000 1.133 4 L CA 0.844 55.681 54.840 -0.005 0.000 0.816 4 L CB 0.021 42.076 42.059 -0.006 0.000 0.933 4 L HN 0.375 nan 8.230 nan 0.000 0.449 5 A N 0.282 123.111 122.820 0.015 0.000 3.157 5 A HA 0.445 4.765 4.320 -0.000 0.000 0.276 5 A C 0.246 177.833 177.584 0.006 0.000 1.524 5 A CA -0.059 51.993 52.037 0.026 0.000 1.236 5 A CB -0.241 18.774 19.000 0.025 0.000 1.173 5 A HN 0.223 nan 8.150 nan 0.000 0.595 6 S N -0.117 115.584 115.700 0.002 0.000 2.533 6 S HA 0.624 5.094 4.470 -0.000 0.000 0.271 6 S C -2.791 171.780 174.600 -0.049 0.000 1.143 6 S CA -0.987 57.195 58.200 -0.031 0.000 0.891 6 S CB 1.874 65.050 63.200 -0.040 0.000 1.105 6 S HN 0.002 nan 8.310 nan 0.000 0.468 7 P HA -0.114 nan 4.420 nan 0.000 0.216 7 P C 1.458 178.587 177.300 -0.285 0.000 1.150 7 P CA 1.229 64.134 63.100 -0.325 0.000 0.837 7 P CB 0.113 31.526 31.700 -0.480 0.000 0.786 8 Q N -0.792 118.900 119.800 -0.181 0.000 2.123 8 Q HA -0.056 4.284 4.340 -0.000 0.000 0.199 8 Q C 2.286 178.249 176.000 -0.062 0.000 0.966 8 Q CA 1.321 57.053 55.803 -0.118 0.000 0.845 8 Q CB -0.845 27.837 28.738 -0.093 0.000 0.907 8 Q HN 0.251 nan 8.270 nan 0.000 0.439 9 S N 0.502 116.174 115.700 -0.047 0.000 2.368 9 S HA -0.105 4.365 4.470 -0.000 0.000 0.225 9 S C 2.189 176.777 174.600 -0.021 0.000 1.030 9 S CA 1.090 59.272 58.200 -0.030 0.000 0.999 9 S CB -0.155 63.030 63.200 -0.025 0.000 0.844 9 S HN 0.128 nan 8.310 nan 0.000 0.459 10 V N 1.773 121.695 119.914 0.013 0.000 2.270 10 V HA -0.136 3.984 4.120 -0.000 0.000 0.245 10 V C 2.507 178.649 176.094 0.080 0.000 1.043 10 V CA 1.834 64.163 62.300 0.049 0.000 1.014 10 V CB -0.600 31.364 31.823 0.235 0.000 0.645 10 V HN 0.396 nan 8.190 nan 0.000 0.447 11 R N 0.351 120.967 120.500 0.193 0.000 2.091 11 R HA -0.206 4.134 4.340 -0.000 0.000 0.238 11 R C 2.234 178.531 176.300 -0.005 0.000 1.136 11 R CA 1.883 58.088 56.100 0.174 0.000 0.959 11 R CB -0.462 29.940 30.300 0.169 0.000 0.856 11 R HN 0.488 nan 8.270 nan 0.000 0.437 12 A N 1.057 123.865 122.820 -0.021 0.000 1.930 12 A HA -0.106 4.214 4.320 -0.000 0.000 0.217 12 A C 2.138 179.688 177.584 -0.056 0.000 1.175 12 A CA 0.873 52.883 52.037 -0.046 0.000 0.627 12 A CB -0.362 18.616 19.000 -0.036 0.000 0.815 12 A HN 0.291 nan 8.150 nan 0.000 0.443 13 L N -0.556 120.640 121.223 -0.046 0.000 2.072 13 L HA -0.070 4.270 4.340 -0.000 0.000 0.205 13 L C 2.544 179.413 176.870 -0.002 0.000 1.079 13 L CA 1.402 56.238 54.840 -0.007 0.000 0.752 13 L CB -1.226 40.807 42.059 -0.044 0.000 0.906 13 L HN 0.405 nan 8.230 nan 0.000 0.436 14 L N -0.508 120.641 121.223 -0.123 0.000 1.994 14 L HA -0.225 4.115 4.340 -0.000 0.000 0.208 14 L C 2.487 179.197 176.870 -0.267 0.000 1.071 14 L CA 1.273 55.991 54.840 -0.202 0.000 0.745 14 L CB -0.457 41.412 42.059 -0.318 0.000 0.892 14 L HN 0.272 nan 8.230 nan 0.000 0.431 15 E N -0.191 119.804 120.200 -0.341 0.000 2.118 15 E HA -0.280 4.070 4.350 -0.000 0.000 0.195 15 E C 2.240 178.691 176.600 -0.248 0.000 0.992 15 E CA 1.055 57.185 56.400 -0.451 0.000 0.804 15 E CB -0.151 29.345 29.700 -0.340 0.000 0.741 15 E HN 0.312 nan 8.360 nan 0.000 0.458 16 R N 0.527 120.917 120.500 -0.183 0.000 2.105 16 R HA -0.157 4.183 4.340 -0.000 0.000 0.239 16 R C 1.291 177.376 176.300 -0.360 0.000 1.135 16 R CA 1.387 57.341 56.100 -0.244 0.000 0.967 16 R CB -0.031 30.112 30.300 -0.261 0.000 0.861 16 R HN 0.308 nan 8.270 nan 0.000 0.442 17 H N -1.344 117.672 119.070 -0.090 0.000 2.505 17 H HA 0.177 4.733 4.556 -0.000 0.000 0.289 17 H C 0.579 175.892 175.328 -0.025 0.000 1.052 17 H CA 0.556 56.574 56.048 -0.049 0.000 1.156 17 H CB 0.989 30.725 29.762 -0.044 0.000 1.507 17 H HN 0.559 nan 8.280 nan 0.000 0.548 18 G N 1.519 110.324 108.800 0.008 0.000 2.198 18 G HA2 -0.264 3.696 3.960 -0.000 0.000 0.257 18 G HA3 -0.264 3.696 3.960 -0.000 0.000 0.257 18 G C -0.059 174.916 174.900 0.125 0.000 1.042 18 G CA 0.006 45.165 45.100 0.099 0.000 0.791 18 G HN 0.291 nan 8.290 nan 0.000 0.502 19 L N -0.891 120.266 121.223 -0.110 0.000 2.322 19 L HA 0.851 5.191 4.340 -0.000 0.000 0.281 19 L C 0.165 176.740 176.870 -0.491 0.000 1.014 19 L CA -1.072 53.718 54.840 -0.083 0.000 0.815 19 L CB 1.290 43.330 42.059 -0.032 0.000 1.247 19 L HN 0.051 nan 8.230 nan 0.000 0.421 26 G N 1.549 110.297 108.800 -0.087 0.000 2.157 26 G HA2 -0.124 3.836 3.960 -0.000 0.000 0.239 26 G HA3 -0.124 3.836 3.960 -0.000 0.000 0.239 26 G C -0.153 174.633 174.900 -0.190 0.000 0.982 26 G CA 0.325 45.319 45.100 -0.176 0.000 0.650 26 G HN 0.528 nan 8.290 nan 0.000 0.527 27 Q N -0.530 119.187 119.800 -0.138 0.000 2.421 27 Q HA 0.546 4.886 4.340 -0.000 0.000 0.280 27 Q C -1.196 174.525 176.000 -0.466 0.000 1.085 27 Q CA -0.787 54.820 55.803 -0.327 0.000 0.807 27 Q CB 1.776 30.218 28.738 -0.493 0.000 1.405 27 Q HN 0.362 nan 8.270 nan 0.000 0.419 28 N N 1.022 119.381 118.700 -0.568 0.000 2.448 28 N HA 0.453 5.193 4.740 -0.000 0.000 0.279 28 N C -1.486 173.843 175.510 -0.301 0.000 1.025 28 N CA -0.299 52.497 53.050 -0.424 0.000 0.898 28 N CB 1.056 39.339 38.487 -0.340 0.000 1.303 28 N HN 0.245 nan 8.380 nan 0.000 0.495 29 F N 1.256 121.337 119.950 0.219 0.000 2.404 29 F HA 0.347 4.874 4.527 -0.000 0.000 0.345 29 F C 0.470 176.463 175.800 0.322 0.000 1.110 29 F CA -1.054 57.096 58.000 0.250 0.000 1.130 29 F CB 0.632 39.727 39.000 0.159 0.000 1.129 29 F HN 0.269 nan 8.300 nan 0.000 0.500 30 L N 4.918 126.404 121.223 0.438 0.000 2.513 30 L HA 0.233 4.573 4.340 -0.000 0.000 0.272 30 L C 0.474 177.397 176.870 0.087 0.000 1.187 30 L CA 0.273 55.184 54.840 0.119 0.000 0.895 30 L CB 0.504 42.619 42.059 0.094 0.000 1.147 30 L HN 0.583 nan 8.230 nan 0.000 0.483 31 V N 1.021 120.920 119.914 -0.025 0.000 3.199 31 V HA 0.371 4.491 4.120 -0.000 0.000 0.331 31 V C 0.253 176.326 176.094 -0.033 0.000 1.446 31 V CA 0.210 62.517 62.300 0.013 0.000 1.120 31 V CB 0.039 31.899 31.823 0.062 0.000 1.051 31 V HN 0.771 nan 8.190 nan 0.000 0.495 32 S N 0.631 116.299 115.700 -0.054 0.000 2.520 32 S HA 0.433 4.903 4.470 -0.000 0.000 0.324 32 S C 0.814 175.427 174.600 0.022 0.000 1.069 32 S CA -0.129 58.076 58.200 0.009 0.000 1.121 32 S CB 1.563 64.845 63.200 0.137 0.000 0.971 32 S HN 0.490 nan 8.310 nan 0.000 0.463 33 E N 4.886 125.084 120.200 -0.003 0.000 2.118 33 E HA -0.058 4.292 4.350 -0.000 0.000 0.195 33 E C 1.948 178.529 176.600 -0.032 0.000 0.992 33 E CA 1.837 58.232 56.400 -0.010 0.000 0.804 33 E CB -0.282 29.407 29.700 -0.019 0.000 0.741 33 E HN 0.811 nan 8.360 nan 0.000 0.458 34 A N -0.332 122.442 122.820 -0.078 0.000 1.877 34 A HA -0.222 4.098 4.320 -0.000 0.000 0.216 34 A C 1.932 179.378 177.584 -0.229 0.000 1.186 34 A CA 1.983 53.916 52.037 -0.174 0.000 0.620 34 A CB -0.997 17.852 19.000 -0.253 0.000 0.822 34 A HN 0.446 nan 8.150 nan 0.000 0.443 35 H N -1.246 117.757 119.070 -0.112 0.000 2.353 35 H HA -0.090 4.466 4.556 -0.000 0.000 0.300 35 H C 1.926 177.267 175.328 0.022 0.000 1.090 35 H CA 1.530 57.529 56.048 -0.083 0.000 1.327 35 H CB -0.171 29.572 29.762 -0.033 0.000 1.383 35 H HN 0.397 nan 8.280 nan 0.000 0.508 36 L N 0.996 122.291 121.223 0.119 0.000 2.012 36 L HA -0.199 4.141 4.340 -0.000 0.000 0.210 36 L C 2.464 179.386 176.870 0.087 0.000 1.073 36 L CA 1.739 56.642 54.840 0.104 0.000 0.748 36 L CB -0.494 41.604 42.059 0.065 0.000 0.891 36 L HN 0.148 nan 8.230 nan 0.000 0.431 37 R N -0.647 119.872 120.500 0.032 0.000 2.096 37 R HA -0.160 4.180 4.340 -0.000 0.000 0.235 37 R C 2.391 178.710 176.300 0.032 0.000 1.127 37 R CA 1.508 57.620 56.100 0.021 0.000 0.968 37 R CB -0.196 30.091 30.300 -0.023 0.000 0.861 37 R HN 0.393 nan 8.270 nan 0.000 0.440 38 R N 0.104 120.602 120.500 -0.002 0.000 2.096 38 R HA -0.071 4.269 4.340 -0.000 0.000 0.235 38 R C 2.345 178.783 176.300 0.230 0.000 1.127 38 R CA 1.508 57.618 56.100 0.016 0.000 0.968 38 R CB -0.278 29.831 30.300 -0.319 0.000 0.861 38 R HN 0.317 nan 8.270 nan 0.000 0.440 39 I N 0.145 120.886 120.570 0.284 0.000 2.202 39 I HA -0.249 3.921 4.170 -0.000 0.000 0.242 39 I C 2.291 178.519 176.117 0.184 0.000 1.091 39 I CA 1.094 62.552 61.300 0.262 0.000 1.368 39 I CB -0.308 37.827 38.000 0.226 0.000 1.058 39 I HN -0.054 nan 8.210 nan 0.000 0.410 40 V N 0.637 120.651 119.914 0.167 0.000 2.287 40 V HA -0.252 3.868 4.120 -0.000 0.000 0.248 40 V C 2.544 178.719 176.094 0.135 0.000 1.053 40 V CA 1.775 64.194 62.300 0.199 0.000 1.027 40 V CB -0.632 31.299 31.823 0.181 0.000 0.646 40 V HN 0.392 nan 8.190 nan 0.000 0.447 41 E N 0.294 120.544 120.200 0.083 0.000 2.110 41 E HA -0.178 4.172 4.350 -0.000 0.000 0.193 41 E C 2.326 178.933 176.600 0.012 0.000 0.988 41 E CA 1.526 57.940 56.400 0.024 0.000 0.804 41 E CB -0.560 29.154 29.700 0.023 0.000 0.745 41 E HN 0.586 nan 8.360 nan 0.000 0.458 42 A N 0.988 123.855 122.820 0.078 0.000 1.969 42 A HA -0.008 4.312 4.320 -0.000 0.000 0.218 42 A C 2.287 179.882 177.584 0.019 0.000 1.169 42 A CA 1.696 53.778 52.037 0.075 0.000 0.635 42 A CB -0.286 18.799 19.000 0.141 0.000 0.810 42 A HN 0.238 nan 8.150 nan 0.000 0.445 43 A N -0.560 122.272 122.820 0.020 0.000 2.123 43 A HA 0.147 4.467 4.320 -0.000 0.000 0.214 43 A C 1.395 178.846 177.584 -0.223 0.000 1.152 43 A CA -0.120 51.925 52.037 0.014 0.000 0.728 43 A CB -0.127 19.002 19.000 0.215 0.000 0.814 43 A HN 0.514 nan 8.150 nan 0.000 0.464 44 R N 0.630 120.873 120.500 -0.428 0.000 2.738 44 R HA 0.258 4.598 4.340 -0.000 0.000 0.268 44 R C -2.349 173.757 176.300 -0.323 0.000 1.062 44 R CA -1.239 54.455 56.100 -0.677 0.000 1.158 44 R CB -0.082 29.914 30.300 -0.507 0.000 1.046 44 R HN 0.254 nan 8.270 nan 0.000 0.493 45 P HA 0.105 nan 4.420 nan 0.000 0.281 45 P C -0.829 176.276 177.300 -0.326 0.000 1.249 45 P CA -0.277 62.610 63.100 -0.355 0.000 0.810 45 P CB 0.490 32.102 31.700 -0.145 0.000 1.008 46 F N 0.784 120.746 119.950 0.019 0.000 2.659 46 F HA 0.095 4.622 4.527 -0.000 0.000 0.360 46 F C 1.897 177.709 175.800 0.019 0.000 1.218 46 F CA -0.029 57.981 58.000 0.018 0.000 1.317 46 F CB -1.069 37.935 39.000 0.007 0.000 1.697 46 F HN 0.256 nan 8.300 nan 0.000 0.637 47 T N -2.619 112.021 114.554 0.143 0.000 3.088 47 T HA 0.333 4.682 4.350 -0.000 0.000 0.259 47 T C 0.978 175.740 174.700 0.102 0.000 1.122 47 T CA 0.476 62.635 62.100 0.097 0.000 1.095 47 T CB 0.067 68.969 68.868 0.057 0.000 0.930 47 T HN 0.413 nan 8.240 nan 0.000 0.508 48 G N 1.526 110.406 108.800 0.134 0.000 2.694 48 G HA2 0.635 4.595 3.960 -0.000 0.000 0.290 48 G HA3 0.635 4.595 3.960 -0.000 0.000 0.290 48 G C -3.211 171.764 174.900 0.123 0.000 1.386 48 G CA -1.881 43.290 45.100 0.118 0.000 0.872 48 G HN -0.036 nan 8.290 nan 0.000 0.475 49 P HA 0.251 nan 4.420 nan 0.000 0.269 49 P C -0.327 176.969 177.300 -0.007 0.000 1.209 49 P CA -0.140 62.950 63.100 -0.015 0.000 0.776 49 P CB 1.333 33.008 31.700 -0.041 0.000 0.876 50 V N 3.467 123.271 119.914 -0.183 0.000 2.427 50 V HA 0.309 4.429 4.120 -0.000 0.000 0.286 50 V C 0.014 175.864 176.094 -0.406 0.000 1.034 50 V CA -0.240 61.990 62.300 -0.118 0.000 0.893 50 V CB 0.351 32.090 31.823 -0.139 0.000 0.982 50 V HN 0.328 nan 8.190 nan 0.000 0.452 51 F N 2.718 122.731 119.950 0.105 0.000 2.402 51 F HA 0.436 4.963 4.527 -0.000 0.000 0.355 51 F C 0.419 176.227 175.800 0.013 0.000 1.123 51 F CA -0.408 57.640 58.000 0.080 0.000 1.021 51 F CB 1.358 40.532 39.000 0.290 0.000 1.160 51 F HN 0.475 nan 8.300 nan 0.000 0.451 52 E N 3.829 124.047 120.200 0.030 0.000 2.092 52 E HA 0.438 4.788 4.350 -0.000 0.000 0.271 52 E C -1.414 175.186 176.600 0.000 0.000 0.919 52 E CA -0.494 55.902 56.400 -0.007 0.000 0.760 52 E CB 1.284 30.954 29.700 -0.049 0.000 1.106 52 E HN 0.410 nan 8.360 nan 0.000 0.408 53 V N 3.966 123.889 119.914 0.015 0.000 2.432 53 V HA 0.443 4.563 4.120 -0.000 0.000 0.275 53 V C 0.793 176.896 176.094 0.016 0.000 1.043 53 V CA 0.425 62.741 62.300 0.027 0.000 0.925 53 V CB 1.117 32.977 31.823 0.062 0.000 0.985 53 V HN 0.982 nan 8.190 nan 0.000 0.466 54 G N 7.145 115.955 108.800 0.016 0.000 2.401 54 G HA2 -0.119 3.841 3.960 -0.000 0.000 0.283 54 G HA3 -0.119 3.841 3.960 -0.000 0.000 0.283 54 G C -1.096 173.839 174.900 0.059 0.000 1.117 54 G CA -0.054 45.071 45.100 0.040 0.000 1.051 54 G HN 0.668 nan 8.290 nan 0.000 0.510 55 P HA 0.041 nan 4.420 nan 0.000 0.230 55 P C 1.889 179.265 177.300 0.127 0.000 1.158 55 P CA 1.834 64.965 63.100 0.053 0.000 0.769 55 P CB 0.014 31.712 31.700 -0.004 0.000 0.807 56 G N 1.186 110.107 108.800 0.202 0.000 2.574 56 G HA2 -0.334 3.626 3.960 -0.000 0.000 0.301 56 G HA3 -0.334 3.626 3.960 -0.000 0.000 0.301 56 G C 0.700 175.724 174.900 0.206 0.000 1.166 56 G CA 0.397 45.731 45.100 0.390 0.000 0.971 56 G HN 0.321 nan 8.290 nan 0.000 0.542 57 L N 1.853 123.108 121.223 0.054 0.000 2.607 57 L HA 0.467 4.807 4.340 -0.000 0.000 0.228 57 L C 2.087 178.938 176.870 -0.032 0.000 1.123 57 L CA 0.888 55.663 54.840 -0.107 0.000 0.890 57 L CB 0.100 41.978 42.059 -0.302 0.000 1.103 57 L HN 1.976 nan 8.230 nan 0.000 0.468 58 G N -0.267 108.546 108.800 0.021 0.000 2.148 58 G HA2 -0.264 3.696 3.960 -0.000 0.000 0.203 58 G HA3 -0.264 3.696 3.960 -0.000 0.000 0.203 58 G C 1.020 175.928 174.900 0.013 0.000 0.993 58 G CA 0.352 45.459 45.100 0.011 0.000 0.661 58 G HN 0.316 nan 8.290 nan 0.000 0.518 59 A N -0.131 122.709 122.820 0.034 0.000 1.873 59 A HA 0.160 4.480 4.320 -0.000 0.000 0.218 59 A C 2.354 179.959 177.584 0.035 0.000 1.193 59 A CA 2.388 54.447 52.037 0.036 0.000 0.629 59 A CB -0.322 18.714 19.000 0.061 0.000 0.826 59 A HN 1.321 nan 8.150 nan 0.000 0.447 60 L N -0.238 121.016 121.223 0.051 0.000 2.109 60 L HA -0.058 4.282 4.340 -0.000 0.000 0.207 60 L C 2.460 179.334 176.870 0.006 0.000 1.086 60 L CA 2.657 57.524 54.840 0.044 0.000 0.760 60 L CB -0.966 41.133 42.059 0.065 0.000 0.910 60 L HN 0.432 nan 8.230 nan 0.000 0.437 61 T N -0.385 114.164 114.554 -0.007 0.000 2.635 61 T HA -0.240 4.110 4.350 -0.000 0.000 0.267 61 T C 2.015 176.683 174.700 -0.054 0.000 1.040 61 T CA 1.852 63.925 62.100 -0.045 0.000 1.156 61 T CB -0.330 68.513 68.868 -0.043 0.000 0.863 61 T HN 0.349 nan 8.240 nan 0.000 0.430 62 R N 0.899 121.379 120.500 -0.032 0.000 2.081 62 R HA 0.033 4.373 4.340 -0.000 0.000 0.235 62 R C 2.900 179.181 176.300 -0.032 0.000 1.131 62 R CA 1.267 57.347 56.100 -0.033 0.000 0.960 62 R CB -0.569 29.720 30.300 -0.018 0.000 0.856 62 R HN 0.420 nan 8.270 nan 0.000 0.436 63 A N 1.245 124.056 122.820 -0.015 0.000 1.902 63 A HA -0.130 4.190 4.320 -0.000 0.000 0.217 63 A C 2.199 179.773 177.584 -0.018 0.000 1.181 63 A CA 1.131 53.168 52.037 0.001 0.000 0.623 63 A CB -0.508 18.509 19.000 0.029 0.000 0.818 63 A HN 0.170 nan 8.150 nan 0.000 0.443 64 L N -0.743 120.443 121.223 -0.062 0.000 2.046 64 L HA -0.181 4.159 4.340 -0.000 0.000 0.208 64 L C 2.559 179.273 176.870 -0.260 0.000 1.077 64 L CA 1.097 55.822 54.840 -0.191 0.000 0.747 64 L CB -0.530 41.385 42.059 -0.239 0.000 0.896 64 L HN 0.366 nan 8.230 nan 0.000 0.432 65 L N -0.556 120.562 121.223 -0.174 0.000 2.083 65 L HA -0.214 4.126 4.340 -0.000 0.000 0.209 65 L C 2.434 179.245 176.870 -0.098 0.000 1.083 65 L CA 1.317 56.068 54.840 -0.149 0.000 0.752 65 L CB -0.443 41.553 42.059 -0.105 0.000 0.899 65 L HN 0.282 nan 8.230 nan 0.000 0.433 66 E N -0.117 120.047 120.200 -0.060 0.000 2.274 66 E HA -0.108 4.242 4.350 -0.000 0.000 0.194 66 E C 1.941 178.544 176.600 0.004 0.000 0.996 66 E CA 0.808 57.194 56.400 -0.023 0.000 0.840 66 E CB -0.044 29.651 29.700 -0.009 0.000 0.772 66 E HN 0.467 nan 8.360 nan 0.000 0.491 67 A N 0.115 122.943 122.820 0.014 0.000 2.251 67 A HA 0.309 4.629 4.320 -0.000 0.000 0.209 67 A C 1.588 179.251 177.584 0.133 0.000 1.187 67 A CA 0.709 52.817 52.037 0.119 0.000 0.823 67 A CB -0.132 19.032 19.000 0.274 0.000 0.846 67 A HN 0.308 nan 8.150 nan 0.000 0.486 68 G N -2.151 106.643 108.800 -0.010 0.000 2.159 68 G HA2 0.125 4.085 3.960 -0.000 0.000 0.227 68 G HA3 0.125 4.085 3.960 -0.000 0.000 0.227 68 G C 0.409 175.234 174.900 -0.125 0.000 0.986 68 G CA 0.156 45.252 45.100 -0.006 0.000 0.651 68 G HN 1.507 nan 8.290 nan 0.000 0.523 69 A N -0.085 122.471 122.820 -0.440 0.000 2.351 69 A HA 0.679 4.999 4.320 -0.000 0.000 0.257 69 A C 0.285 177.678 177.584 -0.318 0.000 1.087 69 A CA 0.035 51.707 52.037 -0.608 0.000 0.798 69 A CB 0.415 18.691 19.000 -1.206 0.000 1.033 69 A HN 0.451 nan 8.150 nan 0.000 0.488 70 E N 0.399 120.454 120.200 -0.242 0.000 2.146 70 E HA 0.483 4.832 4.350 -0.000 0.000 0.282 70 E C -1.232 175.210 176.600 -0.262 0.000 0.989 70 E CA -0.417 55.866 56.400 -0.196 0.000 0.799 70 E CB 1.670 31.291 29.700 -0.133 0.000 1.088 70 E HN 0.337 nan 8.360 nan 0.000 0.397 71 V N 2.886 122.647 119.914 -0.255 0.000 2.604 71 V HA 0.357 4.477 4.120 -0.000 0.000 0.305 71 V C -0.190 175.728 176.094 -0.292 0.000 1.043 71 V CA -0.769 61.357 62.300 -0.291 0.000 0.888 71 V CB 2.184 33.870 31.823 -0.228 0.000 0.995 71 V HN 0.663 nan 8.190 nan 0.000 0.429 72 T N 4.019 118.332 114.554 -0.400 0.000 2.791 72 T HA 0.682 5.032 4.350 -0.000 0.000 0.288 72 T C -0.046 174.521 174.700 -0.221 0.000 0.999 72 T CA -0.243 61.680 62.100 -0.295 0.000 0.952 72 T CB 1.406 70.068 68.868 -0.343 0.000 0.938 72 T HN 0.928 nan 8.240 nan 0.000 0.444 73 A N 4.181 126.893 122.820 -0.179 0.000 2.276 73 A HA 0.801 5.121 4.320 -0.000 0.000 0.316 73 A C -0.381 177.067 177.584 -0.227 0.000 1.229 73 A CA -0.657 51.279 52.037 -0.168 0.000 0.851 73 A CB 0.166 19.077 19.000 -0.149 0.000 1.165 73 A HN 0.877 nan 8.150 nan 0.000 0.513 74 I N 1.985 122.436 120.570 -0.199 0.000 2.411 74 I HA 0.368 4.538 4.170 -0.000 0.000 0.284 74 I C -0.456 175.558 176.117 -0.171 0.000 1.012 74 I CA -0.304 60.860 61.300 -0.227 0.000 1.119 74 I CB 1.875 39.738 38.000 -0.229 0.000 1.261 74 I HN 0.706 nan 8.210 nan 0.000 0.448 75 E N 5.886 125.929 120.200 -0.262 0.000 2.199 75 E HA 0.287 4.637 4.350 -0.000 0.000 0.265 75 E C 0.193 176.829 176.600 0.060 0.000 0.882 75 E CA -0.583 55.759 56.400 -0.096 0.000 0.759 75 E CB 1.836 31.477 29.700 -0.098 0.000 1.148 75 E HN 0.456 nan 8.360 nan 0.000 0.412 76 K N 2.919 123.375 120.400 0.092 0.000 2.116 76 K HA 0.003 4.323 4.320 -0.000 0.000 0.203 76 K C 0.101 176.786 176.600 0.141 0.000 1.052 76 K CA 0.524 56.877 56.287 0.111 0.000 0.952 76 K CB 0.210 32.751 32.500 0.069 0.000 0.729 76 K HN 0.461 nan 8.250 nan 0.000 0.446 77 D N 1.665 122.147 120.400 0.137 0.000 2.383 77 D HA -0.038 4.602 4.640 -0.000 0.000 0.245 77 D C 0.848 177.234 176.300 0.144 0.000 1.263 77 D CA 0.102 54.162 54.000 0.100 0.000 0.936 77 D CB 0.697 41.540 40.800 0.072 0.000 1.053 77 D HN 0.201 nan 8.370 nan 0.000 0.507 78 L N 3.984 125.257 121.223 0.084 0.000 2.261 78 L HA -0.152 4.188 4.340 -0.000 0.000 0.216 78 L C 2.331 179.166 176.870 -0.059 0.000 1.114 78 L CA 0.893 55.723 54.840 -0.015 0.000 0.777 78 L CB 0.074 42.109 42.059 -0.040 0.000 0.910 78 L HN 0.331 nan 8.230 nan 0.000 0.440 79 R N -0.560 119.942 120.500 0.004 0.000 2.127 79 R HA -0.154 4.186 4.340 -0.000 0.000 0.238 79 R C 1.773 178.103 176.300 0.051 0.000 1.134 79 R CA 1.157 57.276 56.100 0.033 0.000 0.975 79 R CB -0.284 30.052 30.300 0.059 0.000 0.865 79 R HN 0.402 nan 8.270 nan 0.000 0.447 80 L N 0.074 121.349 121.223 0.086 0.000 2.591 80 L HA 0.094 4.434 4.340 -0.000 0.000 0.228 80 L C 2.359 179.245 176.870 0.026 0.000 1.133 80 L CA 0.020 54.920 54.840 0.100 0.000 0.880 80 L CB -0.266 41.920 42.059 0.212 0.000 1.033 80 L HN 0.140 nan 8.230 nan 0.000 0.450 81 R N 1.635 122.046 120.500 -0.149 0.000 2.094 81 R HA -0.153 4.186 4.340 -0.000 0.000 0.239 81 R C -0.429 175.747 176.300 -0.207 0.000 1.137 81 R CA 1.946 57.785 56.100 -0.436 0.000 0.943 81 R CB -1.025 28.796 30.300 -0.798 0.000 0.850 81 R HN 0.232 nan 8.270 nan 0.000 0.433 82 P HA -0.068 nan 4.420 nan 0.000 0.221 82 P C 1.443 178.505 177.300 -0.397 0.000 1.150 82 P CA 1.000 63.987 63.100 -0.189 0.000 0.800 82 P CB -0.020 31.636 31.700 -0.074 0.000 0.787 83 V N 0.350 119.964 119.914 -0.501 0.000 2.270 83 V HA -0.205 3.915 4.120 -0.000 0.000 0.245 83 V C 2.775 178.746 176.094 -0.205 0.000 1.043 83 V CA 1.540 63.514 62.300 -0.543 0.000 1.014 83 V CB -1.389 30.217 31.823 -0.362 0.000 0.645 83 V HN -0.008 nan 8.190 nan 0.000 0.447 84 L N -0.156 121.029 121.223 -0.064 0.000 2.083 84 L HA -0.187 4.153 4.340 -0.000 0.000 0.209 84 L C 2.626 179.515 176.870 0.032 0.000 1.083 84 L CA 1.643 56.501 54.840 0.029 0.000 0.752 84 L CB -0.654 41.497 42.059 0.154 0.000 0.899 84 L HN 0.393 nan 8.230 nan 0.000 0.433 85 E N -0.319 119.902 120.200 0.035 0.000 2.153 85 E HA -0.272 4.078 4.350 -0.000 0.000 0.194 85 E C 2.011 178.620 176.600 0.016 0.000 0.988 85 E CA 1.182 57.603 56.400 0.035 0.000 0.811 85 E CB -0.039 29.680 29.700 0.031 0.000 0.746 85 E HN 0.506 nan 8.360 nan 0.000 0.466 86 E N 0.554 120.754 120.200 -0.001 0.000 2.028 86 E HA -0.166 4.184 4.350 -0.000 0.000 0.191 86 E C 2.209 178.816 176.600 0.012 0.000 0.988 86 E CA 1.892 58.307 56.400 0.025 0.000 0.799 86 E CB 0.033 29.782 29.700 0.081 0.000 0.755 86 E HN 0.285 nan 8.360 nan 0.000 0.447 87 T N -0.847 113.703 114.554 -0.007 0.000 2.915 87 T HA -0.057 4.293 4.350 -0.000 0.000 0.269 87 T C 1.820 176.515 174.700 -0.008 0.000 1.071 87 T CA 0.850 62.944 62.100 -0.010 0.000 1.132 87 T CB -0.164 68.689 68.868 -0.025 0.000 0.878 87 T HN 0.155 nan 8.240 nan 0.000 0.479 88 L N 1.270 122.491 121.223 -0.005 0.000 2.607 88 L HA 0.321 4.661 4.340 -0.000 0.000 0.228 88 L C 1.282 178.151 176.870 -0.003 0.000 1.123 88 L CA -0.439 54.396 54.840 -0.007 0.000 0.890 88 L CB -0.105 41.949 42.059 -0.007 0.000 1.103 88 L HN 0.189 nan 8.230 nan 0.000 0.468 89 S N 0.576 116.278 115.700 0.004 0.000 2.593 89 S HA 0.163 4.633 4.470 -0.000 0.000 0.300 89 S C 1.456 176.055 174.600 -0.001 0.000 1.267 89 S CA 0.979 59.182 58.200 0.006 0.000 1.065 89 S CB 0.272 63.478 63.200 0.010 0.000 0.807 89 S HN 0.698 nan 8.310 nan 0.000 0.499 90 G N 3.410 112.209 108.800 -0.001 0.000 2.212 90 G HA2 -0.231 3.729 3.960 -0.000 0.000 0.266 90 G HA3 -0.231 3.729 3.960 -0.000 0.000 0.266 90 G C 0.068 174.961 174.900 -0.011 0.000 0.978 90 G CA 0.513 45.611 45.100 -0.005 0.000 0.632 90 G HN 0.726 nan 8.290 nan 0.000 0.537 91 L N 1.696 122.910 121.223 -0.015 0.000 2.357 91 L HA 0.468 4.808 4.340 -0.000 0.000 0.273 91 L C -1.566 175.285 176.870 -0.031 0.000 1.080 91 L CA -2.063 52.762 54.840 -0.025 0.000 0.803 91 L CB 1.183 43.223 42.059 -0.031 0.000 1.174 91 L HN -0.059 nan 8.230 nan 0.000 0.443 92 P HA 0.149 nan 4.420 nan 0.000 0.247 92 P C -0.824 176.439 177.300 -0.063 0.000 1.756 92 P CA 0.069 63.143 63.100 -0.044 0.000 1.117 92 P CB 0.812 32.486 31.700 -0.043 0.000 1.869 93 V N 3.682 123.560 119.914 -0.060 0.000 2.760 93 V HA 0.555 4.675 4.120 -0.000 0.000 0.309 93 V C -0.718 175.337 176.094 -0.066 0.000 1.077 93 V CA -1.190 61.062 62.300 -0.080 0.000 0.910 93 V CB 2.853 34.626 31.823 -0.083 0.000 1.008 93 V HN 0.245 nan 8.190 nan 0.000 0.424 94 R N 4.912 125.363 120.500 -0.082 0.000 2.202 94 R HA 0.609 4.949 4.340 -0.000 0.000 0.334 94 R C -1.272 174.978 176.300 -0.083 0.000 1.036 94 R CA -0.296 55.769 56.100 -0.059 0.000 0.878 94 R CB 1.109 31.383 30.300 -0.043 0.000 1.067 94 R HN 0.689 nan 8.270 nan 0.000 0.457 95 L N 5.774 126.956 121.223 -0.068 0.000 2.282 95 L HA 0.518 4.858 4.340 -0.000 0.000 0.288 95 L C -1.335 175.433 176.870 -0.171 0.000 1.033 95 L CA -0.475 54.275 54.840 -0.150 0.000 0.807 95 L CB 1.832 43.852 42.059 -0.066 0.000 1.209 95 L HN 0.480 nan 8.230 nan 0.000 0.423 96 V N 5.840 125.559 119.914 -0.326 0.000 2.531 96 V HA 0.423 4.543 4.120 -0.000 0.000 0.301 96 V C -0.762 175.052 176.094 -0.467 0.000 1.034 96 V CA -0.440 61.736 62.300 -0.208 0.000 0.865 96 V CB 1.578 33.384 31.823 -0.028 0.000 0.995 96 V HN 0.478 nan 8.190 nan 0.000 0.424 97 F N 4.022 123.994 119.950 0.037 0.000 2.313 97 F HA 0.698 5.225 4.527 -0.000 0.000 0.369 97 F C 0.277 176.100 175.800 0.039 0.000 1.109 97 F CA -0.003 58.016 58.000 0.031 0.000 1.132 97 F CB 1.002 40.014 39.000 0.020 0.000 1.291 97 F HN 0.500 nan 8.300 nan 0.000 0.496 98 Q N 1.695 121.563 119.800 0.113 0.000 2.479 98 Q HA 0.135 4.475 4.340 -0.000 0.000 0.276 98 Q C -1.674 174.380 176.000 0.090 0.000 0.989 98 Q CA -0.904 54.961 55.803 0.103 0.000 0.864 98 Q CB 2.001 30.798 28.738 0.099 0.000 1.444 98 Q HN 0.445 nan 8.270 nan 0.000 0.388 99 D N 1.621 122.075 120.400 0.089 0.000 2.472 99 D HA 0.063 4.703 4.640 -0.000 0.000 0.248 99 D C 0.702 177.081 176.300 0.131 0.000 1.174 99 D CA 0.970 55.026 54.000 0.093 0.000 0.883 99 D CB 1.439 42.285 40.800 0.077 0.000 1.149 99 D HN 0.689 nan 8.370 nan 0.000 0.488 100 A N 4.609 127.526 122.820 0.162 0.000 2.032 100 A HA -0.176 4.144 4.320 -0.000 0.000 0.221 100 A C 2.360 180.196 177.584 0.419 0.000 1.165 100 A CA 0.986 53.199 52.037 0.293 0.000 0.645 100 A CB -0.378 18.808 19.000 0.311 0.000 0.807 100 A HN 0.752 nan 8.150 nan 0.000 0.453 101 L N -1.190 120.193 121.223 0.266 0.000 2.275 101 L HA -0.067 4.273 4.340 -0.000 0.000 0.215 101 L C 1.935 178.937 176.870 0.219 0.000 1.119 101 L CA 0.630 55.621 54.840 0.252 0.000 0.790 101 L CB -0.250 41.890 42.059 0.135 0.000 0.919 101 L HN 0.369 nan 8.230 nan 0.000 0.443 102 L N -2.307 119.004 121.223 0.148 0.000 2.590 102 L HA 0.063 4.403 4.340 -0.000 0.000 0.227 102 L C 0.636 177.482 176.870 -0.040 0.000 1.099 102 L CA -0.450 54.424 54.840 0.056 0.000 0.872 102 L CB -0.068 42.012 42.059 0.035 0.000 1.088 102 L HN 0.077 nan 8.230 nan 0.000 0.479 103 Y N 4.199 124.369 120.300 -0.218 0.000 2.702 103 Y HA 0.025 4.575 4.550 -0.000 0.000 0.336 103 Y C -1.753 173.759 175.900 -0.646 0.000 1.235 103 Y CA -2.029 55.747 58.100 -0.539 0.000 1.492 103 Y CB 0.465 38.370 38.460 -0.924 0.000 1.308 103 Y HN -0.093 nan 8.280 nan 0.000 0.589 104 P HA -0.005 nan 4.420 nan 0.000 0.244 104 P C -0.304 176.703 177.300 -0.488 0.000 1.769 104 P CA 0.287 63.005 63.100 -0.636 0.000 1.102 104 P CB -0.530 30.851 31.700 -0.533 0.000 1.937 105 W N 1.268 122.544 121.300 -0.041 0.000 2.392 105 W HA -0.120 4.540 4.660 0.000 0.000 0.279 105 W C 1.769 178.243 176.519 -0.076 0.000 1.225 105 W CA 0.484 57.840 57.345 0.019 0.000 1.233 105 W CB -0.597 28.925 29.460 0.102 0.000 1.122 105 W HN 0.236 nan 8.180 nan 0.000 0.561 106 E N 0.319 120.589 120.200 0.116 0.000 2.401 106 E HA -0.159 4.191 4.350 -0.000 0.000 0.199 106 E C 1.767 178.352 176.600 -0.025 0.000 1.023 106 E CA 0.954 57.375 56.400 0.035 0.000 0.859 106 E CB -0.210 29.502 29.700 0.019 0.000 0.780 106 E HN 0.240 nan 8.360 nan 0.000 0.523 107 E N -0.138 120.022 120.200 -0.067 0.000 2.340 107 E HA -0.004 4.346 4.350 -0.000 0.000 0.194 107 E C 0.654 177.221 176.600 -0.054 0.000 0.996 107 E CA 0.206 56.560 56.400 -0.077 0.000 0.869 107 E CB 0.061 29.685 29.700 -0.127 0.000 0.835 107 E HN 0.225 nan 8.360 nan 0.000 0.493 108 V N 1.024 120.884 119.914 -0.091 0.000 2.763 108 V HA 0.143 4.262 4.120 -0.000 0.000 0.306 108 V C -2.485 173.565 176.094 -0.074 0.000 1.059 108 V CA -1.751 60.478 62.300 -0.120 0.000 1.138 108 V CB 0.003 31.553 31.823 -0.456 0.000 0.940 108 V HN -0.162 nan 8.190 nan 0.000 0.489 109 P HA 0.125 nan 4.420 nan 0.000 0.265 109 P C -0.417 176.842 177.300 -0.068 0.000 1.193 109 P CA 0.084 63.188 63.100 0.007 0.000 0.765 109 P CB 0.278 32.020 31.700 0.070 0.000 0.823 110 Q N 1.980 121.740 119.800 -0.067 0.000 2.286 110 Q HA 0.237 4.577 4.340 -0.000 0.000 0.290 110 Q C 1.117 177.088 176.000 -0.048 0.000 1.049 110 Q CA 1.294 57.046 55.803 -0.085 0.000 0.923 110 Q CB -0.404 28.307 28.738 -0.045 0.000 1.183 110 Q HN 0.831 nan 8.270 nan 0.000 0.383 111 G N 2.292 111.058 108.800 -0.057 0.000 2.176 111 G HA2 -0.229 3.731 3.960 -0.000 0.000 0.232 111 G HA3 -0.229 3.731 3.960 -0.000 0.000 0.232 111 G C 0.109 175.039 174.900 0.049 0.000 0.986 111 G CA 0.085 45.191 45.100 0.010 0.000 0.643 111 G HN 0.633 nan 8.290 nan 0.000 0.522 112 S N -0.261 115.433 115.700 -0.010 0.000 2.587 112 S HA 0.592 5.062 4.470 -0.000 0.000 0.260 112 S C 0.139 174.945 174.600 0.344 0.000 1.353 112 S CA 0.115 58.407 58.200 0.153 0.000 0.995 112 S CB 0.925 64.189 63.200 0.108 0.000 0.912 112 S HN 0.384 nan 8.310 nan 0.000 0.568 113 L N 1.581 123.082 121.223 0.464 0.000 2.346 113 L HA 0.596 4.936 4.340 -0.000 0.000 0.276 113 L C -0.569 176.559 176.870 0.430 0.000 1.006 113 L CA -0.335 54.754 54.840 0.414 0.000 0.817 113 L CB 1.282 43.509 42.059 0.280 0.000 1.272 113 L HN 0.535 nan 8.230 nan 0.000 0.421 114 L N 3.623 124.915 121.223 0.116 0.000 2.307 114 L HA 0.811 5.151 4.340 -0.000 0.000 0.284 114 L C -0.905 175.837 176.870 -0.213 0.000 1.023 114 L CA -0.158 54.582 54.840 -0.167 0.000 0.810 114 L CB 1.627 43.244 42.059 -0.737 0.000 1.231 114 L HN 0.344 nan 8.230 nan 0.000 0.423 115 V N 4.431 124.263 119.914 -0.138 0.000 2.823 115 V HA 1.018 5.138 4.120 -0.000 0.000 0.312 115 V C -0.239 175.761 176.094 -0.156 0.000 1.072 115 V CA 0.022 62.237 62.300 -0.141 0.000 0.937 115 V CB 1.404 33.215 31.823 -0.020 0.000 1.013 115 V HN 1.066 nan 8.190 nan 0.000 0.430 116 A N 3.028 125.753 122.820 -0.158 0.000 2.540 116 A HA 0.798 5.118 4.320 -0.000 0.000 0.291 116 A C -1.609 175.967 177.584 -0.012 0.000 1.083 116 A CA -0.583 51.395 52.037 -0.099 0.000 0.650 116 A CB 1.882 20.775 19.000 -0.177 0.000 1.292 116 A HN 0.667 nan 8.150 nan 0.000 0.435 117 N N 0.878 119.593 118.700 0.026 0.000 2.549 117 N HA 0.466 5.206 4.740 -0.000 0.000 0.281 117 N C -2.028 173.506 175.510 0.040 0.000 1.084 117 N CA -0.346 52.734 53.050 0.050 0.000 0.862 117 N CB 1.086 39.611 38.487 0.063 0.000 1.333 117 N HN 0.409 nan 8.380 nan 0.000 0.523 118 L N 5.520 126.775 121.223 0.054 0.000 2.295 118 L HA 0.555 4.895 4.340 -0.000 0.000 0.281 118 L C -1.641 175.216 176.870 -0.021 0.000 1.018 118 L CA -1.737 53.124 54.840 0.035 0.000 0.841 118 L CB 0.701 42.808 42.059 0.079 0.000 1.218 118 L HN 0.389 nan 8.230 nan 0.000 0.424 123 A N 0.760 123.535 122.820 -0.075 0.000 1.873 123 A HA -0.221 4.099 4.320 -0.000 0.000 0.218 123 A C 1.997 179.452 177.584 -0.215 0.000 1.193 123 A CA 3.039 54.992 52.037 -0.139 0.000 0.629 123 A CB -1.153 17.750 19.000 -0.161 0.000 0.826 123 A HN 0.478 nan 8.150 nan 0.000 0.447 124 T N 0.179 114.625 114.554 -0.180 0.000 2.701 124 T HA -0.059 4.291 4.350 -0.000 0.000 0.263 124 T C -0.153 174.446 174.700 -0.170 0.000 1.040 124 T CA 1.601 63.585 62.100 -0.193 0.000 1.147 124 T CB -1.116 67.657 68.868 -0.158 0.000 0.865 124 T HN 0.491 nan 8.240 nan 0.000 0.426 125 P HA -0.042 nan 4.420 nan 0.000 0.215 125 P C 1.781 179.016 177.300 -0.110 0.000 1.157 125 P CA 0.875 63.915 63.100 -0.099 0.000 0.868 125 P CB -0.185 31.480 31.700 -0.058 0.000 0.788 126 L N -0.107 121.059 121.223 -0.096 0.000 2.012 126 L HA -0.124 4.216 4.340 -0.000 0.000 0.210 126 L C 2.670 179.438 176.870 -0.170 0.000 1.073 126 L CA 1.646 56.424 54.840 -0.104 0.000 0.748 126 L CB -1.337 40.701 42.059 -0.035 0.000 0.891 126 L HN -0.230 nan 8.230 nan 0.000 0.431 127 V N -0.662 119.133 119.914 -0.199 0.000 2.287 127 V HA -0.360 3.760 4.120 -0.000 0.000 0.248 127 V C 2.488 178.430 176.094 -0.253 0.000 1.053 127 V CA 2.390 64.525 62.300 -0.274 0.000 1.027 127 V CB -0.616 30.845 31.823 -0.603 0.000 0.646 127 V HN 0.627 nan 8.190 nan 0.000 0.447 128 T N -0.348 114.061 114.554 -0.242 0.000 2.652 128 T HA -0.271 4.079 4.350 -0.000 0.000 0.267 128 T C 1.979 176.536 174.700 -0.238 0.000 1.039 128 T CA 1.964 63.919 62.100 -0.241 0.000 1.153 128 T CB -0.328 68.414 68.868 -0.209 0.000 0.863 128 T HN 0.385 nan 8.240 nan 0.000 0.428 129 R N 1.188 121.572 120.500 -0.194 0.000 2.094 129 R HA -0.031 4.309 4.340 -0.000 0.000 0.239 129 R C 2.291 178.460 176.300 -0.218 0.000 1.137 129 R CA 1.557 57.557 56.100 -0.167 0.000 0.943 129 R CB -0.926 29.299 30.300 -0.124 0.000 0.850 129 R HN 0.402 nan 8.270 nan 0.000 0.433 130 L N -0.077 120.955 121.223 -0.318 0.000 2.056 130 L HA -0.141 4.199 4.340 -0.000 0.000 0.207 130 L C 2.469 179.219 176.870 -0.201 0.000 1.078 130 L CA 1.197 55.829 54.840 -0.345 0.000 0.749 130 L CB -0.507 41.171 42.059 -0.636 0.000 0.901 130 L HN 0.251 nan 8.230 nan 0.000 0.433 131 L N -0.230 120.820 121.223 -0.288 0.000 2.093 131 L HA -0.206 4.134 4.340 -0.000 0.000 0.208 131 L C 2.598 179.105 176.870 -0.604 0.000 1.085 131 L CA 1.322 55.913 54.840 -0.415 0.000 0.755 131 L CB -0.418 41.334 42.059 -0.511 0.000 0.904 131 L HN 0.219 nan 8.230 nan 0.000 0.435 132 K N -0.352 119.754 120.400 -0.491 0.000 2.152 132 K HA -0.172 4.148 4.320 -0.000 0.000 0.206 132 K C 2.097 178.645 176.600 -0.086 0.000 1.048 132 K CA 1.857 57.980 56.287 -0.273 0.000 0.933 132 K CB -0.273 32.142 32.500 -0.143 0.000 0.721 132 K HN 0.492 nan 8.250 nan 0.000 0.447 133 T N -2.455 112.066 114.554 -0.055 0.000 2.867 133 T HA -0.059 4.291 4.350 -0.000 0.000 0.268 133 T C 1.664 176.380 174.700 0.027 0.000 1.057 133 T CA 1.086 63.196 62.100 0.018 0.000 1.136 133 T CB -0.503 68.404 68.868 0.066 0.000 0.874 133 T HN 0.362 nan 8.240 nan 0.000 0.466 134 G N 1.644 110.463 108.800 0.032 0.000 2.166 134 G HA2 -0.340 3.620 3.960 -0.000 0.000 0.260 134 G HA3 -0.340 3.620 3.960 -0.000 0.000 0.260 134 G C 0.971 175.892 174.900 0.035 0.000 0.986 134 G CA 0.554 45.688 45.100 0.057 0.000 0.683 134 G HN 0.607 nan 8.290 nan 0.000 0.527 135 R N -1.368 119.130 120.500 -0.003 0.000 2.246 135 R HA 0.273 4.613 4.340 -0.000 0.000 0.199 135 R C 0.347 176.477 176.300 -0.284 0.000 0.984 135 R CA 0.228 56.222 56.100 -0.177 0.000 1.015 135 R CB 0.197 30.306 30.300 -0.319 0.000 0.930 135 R HN 0.392 nan 8.270 nan 0.000 0.475 136 F N -0.519 119.426 119.950 -0.009 0.000 2.399 136 F HA 0.295 4.822 4.527 -0.000 0.000 0.334 136 F C 1.224 177.035 175.800 0.018 0.000 1.097 136 F CA -0.621 57.382 58.000 0.005 0.000 1.076 136 F CB 1.389 40.368 39.000 -0.034 0.000 1.162 136 F HN -0.118 nan 8.300 nan 0.000 0.495 137 A N 3.055 125.995 122.820 0.199 0.000 2.021 137 A HA 0.178 4.498 4.320 -0.000 0.000 0.216 137 A C 0.833 178.492 177.584 0.126 0.000 1.163 137 A CA 0.713 52.829 52.037 0.131 0.000 0.676 137 A CB 0.006 19.066 19.000 0.099 0.000 0.818 137 A HN 0.717 nan 8.150 nan 0.000 0.453 138 R N -1.578 119.016 120.500 0.157 0.000 2.604 138 R HA 0.551 4.891 4.340 -0.000 0.000 0.261 138 R C -2.457 173.864 176.300 0.035 0.000 1.080 138 R CA -0.602 55.551 56.100 0.087 0.000 0.917 138 R CB 0.926 31.267 30.300 0.067 0.000 1.252 138 R HN 0.146 nan 8.270 nan 0.000 0.456 139 L N 3.211 124.407 121.223 -0.044 0.000 2.410 139 L HA 0.568 4.908 4.340 -0.000 0.000 0.270 139 L C -0.955 175.792 176.870 -0.206 0.000 0.983 139 L CA -0.763 53.932 54.840 -0.243 0.000 0.822 139 L CB 2.235 44.144 42.059 -0.250 0.000 1.285 139 L HN 0.266 nan 8.230 nan 0.000 0.409 140 V N 3.235 122.948 119.914 -0.336 0.000 2.448 140 V HA 0.523 4.643 4.120 -0.000 0.000 0.295 140 V C -0.892 174.954 176.094 -0.413 0.000 1.025 140 V CA -0.434 61.745 62.300 -0.202 0.000 0.859 140 V CB 1.583 33.361 31.823 -0.075 0.000 0.988 140 V HN 0.422 nan 8.190 nan 0.000 0.431 141 F N 4.544 124.454 119.950 -0.068 0.000 2.460 141 F HA 0.527 5.054 4.527 -0.000 0.000 0.341 141 F C 0.034 175.798 175.800 -0.061 0.000 1.130 141 F CA -0.531 57.425 58.000 -0.072 0.000 0.962 141 F CB 1.565 40.509 39.000 -0.094 0.000 1.171 141 F HN 0.197 nan 8.300 nan 0.000 0.436 142 L N 5.435 126.723 121.223 0.108 0.000 2.313 142 L HA 0.612 4.952 4.340 -0.000 0.000 0.282 142 L C -0.312 176.604 176.870 0.076 0.000 1.092 142 L CA -0.527 54.364 54.840 0.085 0.000 0.831 142 L CB 0.629 42.758 42.059 0.117 0.000 1.159 142 L HN 0.505 nan 8.230 nan 0.000 0.442 143 V N 0.713 120.652 119.914 0.040 0.000 3.181 143 V HA 0.435 4.555 4.120 -0.000 0.000 0.308 143 V C -0.507 175.576 176.094 -0.018 0.000 1.214 143 V CA -1.237 61.062 62.300 -0.001 0.000 1.053 143 V CB 1.692 33.498 31.823 -0.027 0.000 1.069 143 V HN 0.676 nan 8.190 nan 0.000 0.441 144 Q N 0.908 120.684 119.800 -0.040 0.000 2.386 144 Q HA 0.081 4.421 4.340 -0.000 0.000 0.282 144 Q C 1.001 177.004 176.000 0.006 0.000 1.050 144 Q CA 0.330 56.120 55.803 -0.021 0.000 0.918 144 Q CB 0.924 29.641 28.738 -0.035 0.000 1.266 144 Q HN 0.817 nan 8.270 nan 0.000 0.423 145 K N 2.721 123.153 120.400 0.053 0.000 2.074 145 K HA -0.257 4.063 4.320 -0.000 0.000 0.209 145 K C 1.190 177.795 176.600 0.009 0.000 1.048 145 K CA 1.906 58.225 56.287 0.054 0.000 0.926 145 K CB 0.144 32.705 32.500 0.102 0.000 0.713 145 K HN 0.588 nan 8.250 nan 0.000 0.444 146 E N 0.003 120.204 120.200 0.001 0.000 2.160 146 E HA -0.169 4.181 4.350 -0.000 0.000 0.195 146 E C 1.956 178.533 176.600 -0.037 0.000 0.991 146 E CA 1.358 57.748 56.400 -0.017 0.000 0.810 146 E CB 0.071 29.761 29.700 -0.016 0.000 0.742 146 E HN 0.137 nan 8.360 nan 0.000 0.466 147 V N 1.163 121.048 119.914 -0.049 0.000 2.307 147 V HA -0.246 3.874 4.120 -0.000 0.000 0.245 147 V C 2.313 178.356 176.094 -0.086 0.000 1.045 147 V CA 1.761 64.012 62.300 -0.082 0.000 1.024 147 V CB -0.666 31.099 31.823 -0.098 0.000 0.651 147 V HN 0.321 nan 8.190 nan 0.000 0.449 148 A N -0.351 122.433 122.820 -0.061 0.000 1.933 148 A HA -0.261 4.059 4.320 -0.000 0.000 0.218 148 A C 2.159 179.721 177.584 -0.038 0.000 1.175 148 A CA 1.964 53.970 52.037 -0.052 0.000 0.628 148 A CB -0.478 18.505 19.000 -0.028 0.000 0.814 148 A HN 0.631 nan 8.150 nan 0.000 0.444 149 E N -0.118 120.066 120.200 -0.027 0.000 2.077 149 E HA -0.130 4.220 4.350 -0.000 0.000 0.193 149 E C 1.065 177.657 176.600 -0.014 0.000 0.989 149 E CA 0.495 56.886 56.400 -0.014 0.000 0.800 149 E CB -0.095 29.597 29.700 -0.012 0.000 0.746 149 E HN 0.536 nan 8.360 nan 0.000 0.452 153 A N 2.021 124.894 122.820 0.089 0.000 2.386 153 A HA 0.714 5.034 4.320 -0.000 0.000 0.248 153 A C 0.518 178.220 177.584 0.197 0.000 1.082 153 A CA -0.484 51.640 52.037 0.144 0.000 0.789 153 A CB 0.391 19.507 19.000 0.194 0.000 1.025 153 A HN 0.535 nan 8.150 nan 0.000 0.490 154 R N 1.269 121.817 120.500 0.080 0.000 2.573 154 R HA 0.380 4.720 4.340 -0.000 0.000 0.272 154 R C -2.654 173.415 176.300 -0.385 0.000 1.009 154 R CA -1.845 54.216 56.100 -0.065 0.000 1.059 154 R CB 0.230 30.491 30.300 -0.065 0.000 1.112 154 R HN 0.424 nan 8.270 nan 0.000 0.517 155 P HA -0.126 nan 4.420 nan 0.000 0.266 155 P C -0.086 176.938 177.300 -0.460 0.000 1.193 155 P CA 0.575 62.999 63.100 -1.127 0.000 0.770 155 P CB 0.385 31.722 31.700 -0.604 0.000 0.836 156 K N -1.254 118.978 120.400 -0.280 0.000 3.529 156 K HA -0.178 4.142 4.320 -0.000 0.000 0.313 156 K C 0.040 176.632 176.600 -0.014 0.000 1.316 156 K CA 1.442 57.690 56.287 -0.065 0.000 0.988 156 K CB -1.525 30.930 32.500 -0.075 0.000 1.252 156 K HN 0.752 nan 8.250 nan 0.000 0.438 157 T N -2.411 112.140 114.554 -0.006 0.000 2.902 157 T HA 0.422 4.772 4.350 -0.000 0.000 0.280 157 T C -1.190 173.568 174.700 0.096 0.000 0.992 157 T CA -1.080 61.042 62.100 0.036 0.000 1.015 157 T CB 1.500 70.382 68.868 0.023 0.000 1.044 157 T HN -0.151 nan 8.240 nan 0.000 0.520 158 P HA 0.063 nan 4.420 nan 0.000 0.221 158 P C 1.326 178.677 177.300 0.084 0.000 1.150 158 P CA 0.742 63.887 63.100 0.076 0.000 0.800 158 P CB -0.288 31.438 31.700 0.043 0.000 0.787 159 A N -1.511 121.356 122.820 0.077 0.000 2.206 159 A HA -0.074 4.246 4.320 -0.000 0.000 0.211 159 A C 0.773 178.401 177.584 0.073 0.000 1.158 159 A CA -0.112 51.956 52.037 0.053 0.000 0.761 159 A CB -1.368 17.651 19.000 0.032 0.000 0.801 159 A HN 0.148 nan 8.150 nan 0.000 0.473 160 Y N 0.694 120.993 120.300 -0.001 0.000 2.496 160 Y HA 0.425 4.975 4.550 -0.000 0.000 0.334 160 Y C 0.759 176.613 175.900 -0.076 0.000 1.080 160 Y CA 0.484 58.584 58.100 -0.001 0.000 1.355 160 Y CB 0.127 38.635 38.460 0.079 0.000 1.193 160 Y HN 0.231 nan 8.280 nan 0.000 0.523 161 G N 2.909 111.252 108.800 -0.760 0.000 2.561 161 G HA2 0.257 4.217 3.960 -0.000 0.000 0.310 161 G HA3 0.257 4.217 3.960 -0.000 0.000 0.310 161 G C -0.193 173.976 174.900 -1.218 0.000 1.292 161 G CA -0.223 44.211 45.100 -1.111 0.000 0.811 161 G HN 0.456 nan 8.290 nan 0.000 0.482 162 V N 0.293 119.547 119.914 -1.100 0.000 2.282 162 V HA -0.155 3.965 4.120 -0.000 0.000 0.249 162 V C 2.850 178.736 176.094 -0.346 0.000 1.057 162 V CA 2.338 64.268 62.300 -0.617 0.000 1.032 162 V CB -0.702 30.919 31.823 -0.336 0.000 0.645 162 V HN 0.523 nan 8.190 nan 0.000 0.447 163 L N 0.255 121.288 121.223 -0.317 0.000 2.079 163 L HA -0.158 4.182 4.340 -0.000 0.000 0.210 163 L C 2.442 179.197 176.870 -0.192 0.000 1.081 163 L CA 2.542 57.247 54.840 -0.226 0.000 0.752 163 L CB -1.081 40.849 42.059 -0.214 0.000 0.896 163 L HN 0.414 nan 8.230 nan 0.000 0.433 164 T N -0.162 114.241 114.554 -0.251 0.000 2.684 164 T HA -0.226 4.124 4.350 -0.000 0.000 0.267 164 T C 1.951 176.602 174.700 -0.082 0.000 1.036 164 T CA 2.096 64.095 62.100 -0.168 0.000 1.148 164 T CB -0.444 68.278 68.868 -0.242 0.000 0.863 164 T HN 0.336 nan 8.240 nan 0.000 0.436 165 L N 0.278 121.419 121.223 -0.137 0.000 2.109 165 L HA 0.017 4.357 4.340 -0.000 0.000 0.207 165 L C 2.834 179.866 176.870 0.271 0.000 1.086 165 L CA 0.855 55.718 54.840 0.039 0.000 0.760 165 L CB -0.376 41.624 42.059 -0.098 0.000 0.910 165 L HN 0.093 nan 8.230 nan 0.000 0.437 166 R N 0.360 120.986 120.500 0.211 0.000 2.096 166 R HA -0.156 4.184 4.340 -0.000 0.000 0.240 166 R C 2.019 178.398 176.300 0.131 0.000 1.139 166 R CA 2.001 58.114 56.100 0.022 0.000 0.952 166 R CB -1.025 29.145 30.300 -0.217 0.000 0.854 166 R HN 0.116 nan 8.270 nan 0.000 0.436 167 V N 0.833 120.780 119.914 0.055 0.000 2.295 167 V HA -0.200 3.920 4.120 -0.000 0.000 0.246 167 V C 2.408 178.571 176.094 0.116 0.000 1.049 167 V CA 2.007 64.343 62.300 0.060 0.000 1.024 167 V CB -1.071 30.742 31.823 -0.016 0.000 0.648 167 V HN 0.572 nan 8.190 nan 0.000 0.447 168 A N -0.476 122.416 122.820 0.121 0.000 1.940 168 A HA -0.322 3.998 4.320 -0.000 0.000 0.219 168 A C 2.101 179.764 177.584 0.131 0.000 1.176 168 A CA 2.398 54.510 52.037 0.124 0.000 0.631 168 A CB -0.880 18.204 19.000 0.139 0.000 0.814 168 A HN 0.776 nan 8.150 nan 0.000 0.446 169 H N -1.265 117.852 119.070 0.078 0.000 2.387 169 H HA -0.116 4.440 4.556 -0.000 0.000 0.299 169 H C 1.828 177.077 175.328 -0.131 0.000 1.090 169 H CA 2.185 58.225 56.048 -0.013 0.000 1.332 169 H CB -0.103 29.692 29.762 0.055 0.000 1.386 169 H HN 0.620 nan 8.280 nan 0.000 0.516 170 H N -1.284 117.798 119.070 0.021 0.000 2.582 170 H HA 0.531 5.087 4.556 -0.000 0.000 0.269 170 H C 0.232 175.543 175.328 -0.027 0.000 0.962 170 H CA 0.705 56.724 56.048 -0.048 0.000 1.230 170 H CB 0.651 30.420 29.762 0.012 0.000 1.445 170 H HN 0.394 nan 8.280 nan 0.000 0.528 171 A N 0.531 123.415 122.820 0.107 0.000 2.610 171 A HA 0.475 4.795 4.320 -0.000 0.000 0.291 171 A C -1.071 176.548 177.584 0.059 0.000 1.086 171 A CA -0.567 51.518 52.037 0.080 0.000 0.677 171 A CB 1.192 20.247 19.000 0.090 0.000 1.278 171 A HN -0.052 nan 8.150 nan 0.000 0.414 172 V N 0.980 120.924 119.914 0.050 0.000 2.498 172 V HA 0.598 4.718 4.120 -0.000 0.000 0.279 172 V C 0.695 176.817 176.094 0.047 0.000 1.048 172 V CA 0.334 62.661 62.300 0.045 0.000 0.967 172 V CB 1.064 32.910 31.823 0.038 0.000 0.988 172 V HN 1.376 nan 8.190 nan 0.000 0.473 173 A N 4.716 127.562 122.820 0.043 0.000 2.337 173 A HA 0.839 5.159 4.320 -0.000 0.000 0.329 173 A C -0.434 177.171 177.584 0.035 0.000 1.146 173 A CA -0.655 51.405 52.037 0.038 0.000 0.800 173 A CB 0.975 19.991 19.000 0.027 0.000 1.220 173 A HN 0.851 nan 8.150 nan 0.000 0.472 174 E N 0.775 120.995 120.200 0.034 0.000 2.246 174 E HA 0.337 4.687 4.350 -0.000 0.000 0.266 174 E C -0.862 175.750 176.600 0.019 0.000 0.880 174 E CA -0.613 55.806 56.400 0.031 0.000 0.762 174 E CB 2.422 32.145 29.700 0.038 0.000 1.180 174 E HN 0.606 nan 8.360 nan 0.000 0.416 175 R N 4.504 125.014 120.500 0.017 0.000 2.235 175 R HA 0.217 4.557 4.340 -0.000 0.000 0.338 175 R C 0.438 176.749 176.300 0.018 0.000 1.087 175 R CA -0.024 56.077 56.100 0.000 0.000 0.948 175 R CB 0.203 30.507 30.300 0.007 0.000 1.099 175 R HN 0.659 nan 8.270 nan 0.000 0.483 176 L N 4.828 126.039 121.223 -0.020 0.000 2.095 176 L HA 0.140 4.480 4.340 -0.000 0.000 0.204 176 L C 0.195 177.218 176.870 0.255 0.000 1.080 176 L CA 0.867 55.760 54.840 0.088 0.000 0.759 176 L CB -0.137 41.973 42.059 0.086 0.000 0.914 176 L HN 0.553 nan 8.230 nan 0.000 0.439 177 F N -3.993 116.023 119.950 0.111 0.000 2.770 177 F HA 0.509 5.036 4.527 -0.000 0.000 0.313 177 F C -1.635 174.273 175.800 0.180 0.000 1.154 177 F CA -1.599 56.486 58.000 0.142 0.000 0.923 177 F CB 0.611 39.706 39.000 0.158 0.000 1.301 177 F HN -0.336 nan 8.300 nan 0.000 0.449 178 D N 1.316 121.980 120.400 0.440 0.000 2.268 178 D HA 0.702 5.342 4.640 -0.000 0.000 0.249 178 D C -1.094 175.534 176.300 0.547 0.000 1.008 178 D CA -0.170 54.089 54.000 0.431 0.000 0.939 178 D CB 2.216 43.294 40.800 0.463 0.000 1.170 178 D HN 0.491 nan 8.370 nan 0.000 0.468 179 L N 1.985 123.444 121.223 0.392 0.000 2.381 179 L HA 0.383 4.723 4.340 -0.000 0.000 0.274 179 L C -2.354 174.388 176.870 -0.213 0.000 0.988 179 L CA -1.609 53.251 54.840 0.033 0.000 0.824 179 L CB 2.019 44.060 42.059 -0.030 0.000 1.263 179 L HN 0.099 nan 8.230 nan 0.000 0.410 180 P HA 0.244 nan 4.420 nan 0.000 0.274 180 P C -2.338 174.597 177.300 -0.608 0.000 1.237 180 P CA -1.626 60.641 63.100 -1.388 0.000 0.793 180 P CB 0.527 31.596 31.700 -1.052 0.000 0.977 181 P HA -0.160 nan 4.420 nan 0.000 0.217 181 P C 1.576 178.878 177.300 0.003 0.000 1.148 181 P CA 2.112 65.131 63.100 -0.134 0.000 0.828 181 P CB -0.557 31.058 31.700 -0.143 0.000 0.783 182 G N -0.503 108.226 108.800 -0.118 0.000 2.625 182 G HA2 -0.098 3.862 3.960 -0.000 0.000 0.214 182 G HA3 -0.098 3.862 3.960 -0.000 0.000 0.214 182 G C 1.384 176.228 174.900 -0.094 0.000 1.132 182 G CA 0.578 45.642 45.100 -0.059 0.000 0.782 182 G HN 0.344 nan 8.290 nan 0.000 0.538 183 A N -0.461 122.219 122.820 -0.234 0.000 2.235 183 A HA 0.547 4.867 4.320 -0.000 0.000 0.208 183 A C 0.115 177.333 177.584 -0.611 0.000 1.172 183 A CA 0.053 51.804 52.037 -0.477 0.000 0.786 183 A CB -0.112 18.378 19.000 -0.849 0.000 0.804 183 A HN 0.199 nan 8.150 nan 0.000 0.479 184 F N -2.306 117.639 119.950 -0.008 0.000 2.563 184 F HA 0.631 5.158 4.527 -0.000 0.000 0.316 184 F C -0.641 175.261 175.800 0.171 0.000 1.076 184 F CA -1.369 56.668 58.000 0.062 0.000 0.921 184 F CB 1.681 40.673 39.000 -0.012 0.000 1.209 184 F HN 0.028 nan 8.300 nan 0.000 0.462 185 F N 5.256 125.348 119.950 0.237 0.000 2.536 185 F HA 0.609 5.136 4.527 -0.000 0.000 0.322 185 F C -2.731 173.197 175.800 0.212 0.000 1.144 185 F CA -3.134 54.968 58.000 0.170 0.000 0.924 185 F CB 1.603 40.677 39.000 0.124 0.000 1.181 185 F HN 0.137 nan 8.300 nan 0.000 0.438 186 P HA 0.252 nan 4.420 nan 0.000 0.274 186 P C -2.915 174.408 177.300 0.038 0.000 1.246 186 P CA -1.542 61.428 63.100 -0.216 0.000 0.795 186 P CB 0.248 31.790 31.700 -0.263 0.000 1.006 187 P HA 0.248 nan 4.420 nan 0.000 0.279 187 P C -2.325 174.974 177.300 -0.002 0.000 1.239 187 P CA -1.627 61.528 63.100 0.091 0.000 0.789 187 P CB -0.601 31.152 31.700 0.089 0.000 0.933 188 P HA 0.268 nan 4.420 nan 0.000 0.278 188 P C 0.555 177.827 177.300 -0.047 0.000 1.266 188 P CA -0.411 62.627 63.100 -0.104 0.000 0.807 188 P CB 1.336 32.903 31.700 -0.222 0.000 1.094 189 K N -0.594 119.788 120.400 -0.031 0.000 2.288 189 K HA 0.062 4.382 4.320 -0.000 0.000 0.201 189 K C 0.805 177.435 176.600 0.050 0.000 1.048 189 K CA 0.846 57.139 56.287 0.011 0.000 0.956 189 K CB -0.192 32.314 32.500 0.009 0.000 0.746 189 K HN 0.386 nan 8.250 nan 0.000 0.461 190 V N -3.033 116.905 119.914 0.039 0.000 3.001 190 V HA 0.430 4.550 4.120 -0.000 0.000 0.314 190 V C -0.814 175.371 176.094 0.152 0.000 1.099 190 V CA -1.497 60.879 62.300 0.128 0.000 0.989 190 V CB 0.925 32.797 31.823 0.082 0.000 1.040 190 V HN 0.020 nan 8.190 nan 0.000 0.434 191 W N 1.201 122.508 121.300 0.011 0.000 2.137 191 W HA 0.600 5.260 4.660 -0.000 0.000 0.344 191 W C 0.772 177.300 176.519 0.016 0.000 1.286 191 W CA 0.469 57.839 57.345 0.042 0.000 1.240 191 W CB 0.545 30.037 29.460 0.052 0.000 1.141 191 W HN 0.757 nan 8.180 nan 0.000 0.579 192 S N 0.732 116.584 115.700 0.254 0.000 2.718 192 S HA 0.775 5.245 4.470 -0.000 0.000 0.300 192 S C -0.714 174.003 174.600 0.194 0.000 1.117 192 S CA -0.889 57.406 58.200 0.159 0.000 1.002 192 S CB 1.693 64.963 63.200 0.116 0.000 1.092 192 S HN 0.307 nan 8.310 nan 0.000 0.542 193 S N 0.613 116.367 115.700 0.090 0.000 2.564 193 S HA 0.544 5.014 4.470 -0.000 0.000 0.274 193 S C -1.586 172.955 174.600 -0.100 0.000 1.124 193 S CA -0.618 57.588 58.200 0.010 0.000 0.869 193 S CB 1.473 64.677 63.200 0.007 0.000 1.105 193 S HN 0.502 nan 8.310 nan 0.000 0.472 194 L N 3.078 124.095 121.223 -0.344 0.000 2.264 194 L HA 0.641 4.981 4.340 -0.000 0.000 0.289 194 L C -1.127 175.601 176.870 -0.237 0.000 1.044 194 L CA -0.195 54.415 54.840 -0.383 0.000 0.807 194 L CB 0.847 42.385 42.059 -0.869 0.000 1.192 194 L HN 0.486 nan 8.230 nan 0.000 0.425 195 V N 5.721 125.597 119.914 -0.064 0.000 2.513 195 V HA 0.567 4.687 4.120 -0.000 0.000 0.299 195 V C -0.104 176.028 176.094 0.063 0.000 1.035 195 V CA -0.762 61.544 62.300 0.009 0.000 0.889 195 V CB 1.717 33.567 31.823 0.045 0.000 0.988 195 V HN 0.754 nan 8.190 nan 0.000 0.440 196 R N 4.484 125.013 120.500 0.050 0.000 2.437 196 R HA 0.706 5.046 4.340 -0.000 0.000 0.310 196 R C -1.641 174.704 176.300 0.075 0.000 0.955 196 R CA -0.593 55.543 56.100 0.060 0.000 0.851 196 R CB 1.141 31.465 30.300 0.040 0.000 1.161 196 R HN 0.720 nan 8.270 nan 0.000 0.446 197 L N 3.525 124.806 121.223 0.097 0.000 2.329 197 L HA 0.483 4.822 4.340 -0.000 0.000 0.279 197 L C -0.462 176.449 176.870 0.068 0.000 1.014 197 L CA -0.835 54.059 54.840 0.090 0.000 0.814 197 L CB 2.336 44.473 42.059 0.131 0.000 1.257 197 L HN 0.682 nan 8.230 nan 0.000 0.424 198 T N 2.781 117.372 114.554 0.061 0.000 2.977 198 T HA 0.326 4.676 4.350 -0.000 0.000 0.346 198 T C -2.503 172.234 174.700 0.062 0.000 1.140 198 T CA -1.336 60.798 62.100 0.057 0.000 1.040 198 T CB 1.285 70.180 68.868 0.044 0.000 1.046 198 T HN 0.241 nan 8.240 nan 0.000 0.494 199 P HA 0.075 nan 4.420 nan 0.000 0.267 199 P C 1.192 178.528 177.300 0.059 0.000 1.200 199 P CA -0.076 63.071 63.100 0.079 0.000 0.772 199 P CB 0.540 32.299 31.700 0.098 0.000 0.855 200 T N -1.176 113.406 114.554 0.047 0.000 3.057 200 T HA 0.239 4.589 4.350 -0.000 0.000 0.254 200 T C 1.319 176.035 174.700 0.026 0.000 1.094 200 T CA 0.672 62.787 62.100 0.025 0.000 1.088 200 T CB -0.544 68.323 68.868 -0.001 0.000 0.934 200 T HN 0.617 nan 8.240 nan 0.000 0.497 201 G N 1.165 109.991 108.800 0.043 0.000 2.184 201 G HA2 0.029 3.989 3.960 -0.000 0.000 0.206 201 G HA3 0.029 3.989 3.960 -0.000 0.000 0.206 201 G C 0.297 175.224 174.900 0.044 0.000 0.995 201 G CA -0.193 44.934 45.100 0.045 0.000 0.651 201 G HN 1.113 nan 8.290 nan 0.000 0.511 202 A N 0.684 123.511 122.820 0.011 0.000 2.488 202 A HA 0.666 4.986 4.320 -0.000 0.000 0.249 202 A C 0.832 178.489 177.584 0.122 0.000 1.083 202 A CA 0.355 52.365 52.037 -0.044 0.000 0.768 202 A CB 0.218 19.020 19.000 -0.331 0.000 1.017 202 A HN 0.776 nan 8.150 nan 0.000 0.496 203 L N 0.998 122.313 121.223 0.154 0.000 2.569 203 L HA 0.296 4.636 4.340 -0.000 0.000 0.247 203 L C 0.682 177.786 176.870 0.390 0.000 1.135 203 L CA -0.999 53.995 54.840 0.256 0.000 0.812 203 L CB 0.280 42.432 42.059 0.156 0.000 1.431 203 L HN 0.710 nan 8.230 nan 0.000 0.499 204 D N 0.253 120.872 120.400 0.366 0.000 2.449 204 D HA -0.057 4.583 4.640 -0.000 0.000 0.236 204 D C -0.723 175.708 176.300 0.219 0.000 1.149 204 D CA 0.349 54.527 54.000 0.298 0.000 0.878 204 D CB 0.557 41.453 40.800 0.159 0.000 1.198 204 D HN 0.369 nan 8.370 nan 0.000 0.446 205 D N 3.064 123.538 120.400 0.123 0.000 2.434 205 D HA 0.241 4.881 4.640 -0.000 0.000 0.275 205 D C -1.994 174.380 176.300 0.122 0.000 1.172 205 D CA -1.912 52.140 54.000 0.088 0.000 0.916 205 D CB 1.331 42.124 40.800 -0.011 0.000 1.041 205 D HN 0.081 nan 8.370 nan 0.000 0.501 206 P HA -0.045 nan 4.420 nan 0.000 0.215 206 P C 1.456 178.817 177.300 0.101 0.000 1.153 206 P CA 0.965 64.132 63.100 0.111 0.000 0.853 206 P CB 0.257 32.002 31.700 0.074 0.000 0.788 207 G N 0.167 109.008 108.800 0.069 0.000 2.422 207 G HA2 -0.242 3.718 3.960 -0.000 0.000 0.218 207 G HA3 -0.242 3.718 3.960 -0.000 0.000 0.218 207 G C 1.495 176.411 174.900 0.025 0.000 1.146 207 G CA 0.548 45.683 45.100 0.059 0.000 0.769 207 G HN 0.222 nan 8.290 nan 0.000 0.547 208 L N -0.342 120.856 121.223 -0.043 0.000 2.042 208 L HA 0.108 4.448 4.340 -0.000 0.000 0.210 208 L C 2.419 179.058 176.870 -0.385 0.000 1.076 208 L CA 1.619 56.327 54.840 -0.220 0.000 0.749 208 L CB -0.571 41.283 42.059 -0.340 0.000 0.893 208 L HN 0.216 nan 8.230 nan 0.000 0.432 209 F N -0.714 119.162 119.950 -0.125 0.000 2.456 209 F HA -0.001 4.526 4.527 -0.000 0.000 0.298 209 F C 2.454 178.215 175.800 -0.064 0.000 1.104 209 F CA 0.587 58.508 58.000 -0.130 0.000 1.435 209 F CB -0.263 38.654 39.000 -0.140 0.000 1.078 209 F HN -0.009 nan 8.300 nan 0.000 0.546 210 R N -0.273 120.289 120.500 0.102 0.000 2.081 210 R HA -0.169 4.171 4.340 -0.000 0.000 0.235 210 R C 2.115 178.488 176.300 0.123 0.000 1.131 210 R CA 1.365 57.539 56.100 0.122 0.000 0.960 210 R CB -0.755 29.629 30.300 0.140 0.000 0.856 210 R HN 0.241 nan 8.270 nan 0.000 0.436 211 L N 0.706 121.958 121.223 0.049 0.000 2.017 211 L HA -0.135 4.205 4.340 -0.000 0.000 0.208 211 L C 2.107 178.886 176.870 -0.152 0.000 1.073 211 L CA 1.573 56.363 54.840 -0.083 0.000 0.745 211 L CB -0.454 41.541 42.059 -0.108 0.000 0.894 211 L HN -0.100 nan 8.230 nan 0.000 0.432 212 V N 0.109 119.830 119.914 -0.322 0.000 2.255 212 V HA -0.286 3.834 4.120 -0.000 0.000 0.247 212 V C 2.683 178.742 176.094 -0.059 0.000 1.051 212 V CA 2.060 64.064 62.300 -0.495 0.000 1.018 212 V CB -0.727 30.653 31.823 -0.737 0.000 0.641 212 V HN 0.492 nan 8.190 nan 0.000 0.445 213 E N 0.163 120.370 120.200 0.011 0.000 2.077 213 E HA -0.214 4.136 4.350 -0.000 0.000 0.193 213 E C 2.366 179.030 176.600 0.106 0.000 0.989 213 E CA 1.522 57.975 56.400 0.088 0.000 0.800 213 E CB -0.449 29.300 29.700 0.081 0.000 0.746 213 E HN 0.591 nan 8.360 nan 0.000 0.452 214 A N 1.609 124.482 122.820 0.088 0.000 1.902 214 A HA -0.105 4.215 4.320 -0.000 0.000 0.217 214 A C 2.442 180.049 177.584 0.037 0.000 1.181 214 A CA 2.006 54.101 52.037 0.097 0.000 0.623 214 A CB -0.550 18.561 19.000 0.184 0.000 0.818 214 A HN 0.276 nan 8.150 nan 0.000 0.443 215 A N -1.442 121.371 122.820 -0.011 0.000 1.933 215 A HA 0.022 4.342 4.320 -0.000 0.000 0.218 215 A C 1.891 179.358 177.584 -0.196 0.000 1.175 215 A CA 1.515 53.496 52.037 -0.093 0.000 0.628 215 A CB -0.634 18.370 19.000 0.006 0.000 0.814 215 A HN 0.489 nan 8.150 nan 0.000 0.444 216 F N -0.173 119.781 119.950 0.007 0.000 2.473 216 F HA 0.172 4.699 4.527 -0.000 0.000 0.294 216 F C 2.522 178.325 175.800 0.004 0.000 1.103 216 F CA 0.351 58.353 58.000 0.003 0.000 1.442 216 F CB -0.731 38.245 39.000 -0.040 0.000 1.097 216 F HN 0.286 nan 8.300 nan 0.000 0.547 217 G N -0.107 108.785 108.800 0.154 0.000 3.004 217 G HA2 -0.326 3.633 3.960 -0.000 0.000 0.228 217 G HA3 -0.326 3.633 3.960 -0.000 0.000 0.228 217 G C 1.031 175.977 174.900 0.077 0.000 1.089 217 G CA 1.228 46.386 45.100 0.098 0.000 0.735 217 G HN 0.149 nan 8.290 nan 0.000 0.662 218 K N -0.544 119.897 120.400 0.068 0.000 2.507 218 K HA 0.384 4.704 4.320 -0.000 0.000 0.251 218 K C 0.986 177.620 176.600 0.057 0.000 0.943 218 K CA -0.837 55.482 56.287 0.053 0.000 0.794 218 K CB 2.260 34.780 32.500 0.034 0.000 1.188 218 K HN 0.074 nan 8.250 nan 0.000 0.428 219 R N 2.147 122.685 120.500 0.063 0.000 2.122 219 R HA -0.065 4.275 4.340 -0.000 0.000 0.236 219 R C 0.824 177.152 176.300 0.046 0.000 1.129 219 R CA 1.751 57.892 56.100 0.069 0.000 0.925 219 R CB 0.020 30.354 30.300 0.057 0.000 0.850 219 R HN 0.343 nan 8.270 nan 0.000 0.431 220 R N 1.501 122.020 120.500 0.031 0.000 4.390 220 R HA 0.167 4.507 4.340 -0.000 0.000 0.229 220 R C -0.962 175.344 176.300 0.010 0.000 1.674 220 R CA 0.066 56.178 56.100 0.020 0.000 1.526 220 R CB -0.428 29.882 30.300 0.017 0.000 1.418 220 R HN 0.169 nan 8.270 nan 0.000 0.790 221 K N 0.307 120.709 120.400 0.003 0.000 2.535 221 K HA 0.146 4.466 4.320 -0.000 0.000 0.251 221 K C -0.491 176.092 176.600 -0.028 0.000 0.942 221 K CA -0.483 55.799 56.287 -0.008 0.000 0.798 221 K CB 1.593 34.091 32.500 -0.002 0.000 1.267 221 K HN 0.211 nan 8.250 nan 0.000 0.434 222 T N 0.826 115.361 114.554 -0.031 0.000 2.802 222 T HA 0.047 4.397 4.350 -0.000 0.000 0.305 222 T C 1.311 175.973 174.700 -0.064 0.000 1.053 222 T CA -0.579 61.493 62.100 -0.048 0.000 1.058 222 T CB 0.691 69.536 68.868 -0.039 0.000 0.988 222 T HN 0.541 nan 8.240 nan 0.000 0.539 223 L N 1.537 122.707 121.223 -0.090 0.000 2.012 223 L HA 0.021 4.361 4.340 -0.000 0.000 0.210 223 L C 2.319 179.143 176.870 -0.078 0.000 1.073 223 L CA 1.544 56.319 54.840 -0.109 0.000 0.748 223 L CB -1.203 40.769 42.059 -0.145 0.000 0.891 223 L HN 0.747 nan 8.230 nan 0.000 0.431 224 L N -0.041 121.145 121.223 -0.061 0.000 2.012 224 L HA -0.255 4.085 4.340 -0.000 0.000 0.210 224 L C 2.322 179.181 176.870 -0.018 0.000 1.073 224 L CA 1.799 56.616 54.840 -0.038 0.000 0.748 224 L CB -1.201 40.838 42.059 -0.032 0.000 0.891 224 L HN 0.415 nan 8.230 nan 0.000 0.431 225 N N -0.637 118.052 118.700 -0.018 0.000 2.216 225 N HA -0.056 4.684 4.740 -0.000 0.000 0.183 225 N C 1.762 177.274 175.510 0.004 0.000 1.017 225 N CA 1.310 54.358 53.050 -0.004 0.000 0.861 225 N CB -0.171 38.312 38.487 -0.006 0.000 0.986 225 N HN 0.449 nan 8.380 nan 0.000 0.428 226 A N 1.247 124.061 122.820 -0.010 0.000 1.898 226 A HA -0.021 4.299 4.320 -0.000 0.000 0.216 226 A C 2.330 179.931 177.584 0.029 0.000 1.181 226 A CA 0.852 52.889 52.037 0.001 0.000 0.620 226 A CB -0.637 18.345 19.000 -0.030 0.000 0.819 226 A HN 0.194 nan 8.150 nan 0.000 0.442 227 L N -0.922 120.309 121.223 0.012 0.000 2.156 227 L HA -0.117 4.222 4.340 -0.000 0.000 0.208 227 L C 3.066 180.030 176.870 0.158 0.000 1.095 227 L CA 0.748 55.628 54.840 0.067 0.000 0.770 227 L CB -0.607 41.413 42.059 -0.065 0.000 0.914 227 L HN 0.449 nan 8.230 nan 0.000 0.439 228 A N 0.610 123.480 122.820 0.083 0.000 1.865 228 A HA -0.223 4.097 4.320 -0.000 0.000 0.217 228 A C 2.477 180.102 177.584 0.069 0.000 1.191 228 A CA 1.888 53.967 52.037 0.071 0.000 0.623 228 A CB -0.740 18.283 19.000 0.038 0.000 0.826 228 A HN 0.387 nan 8.150 nan 0.000 0.444 229 A N -1.036 121.820 122.820 0.060 0.000 2.178 229 A HA 0.326 4.646 4.320 -0.000 0.000 0.218 229 A C 1.825 179.449 177.584 0.066 0.000 1.157 229 A CA 1.577 53.645 52.037 0.051 0.000 0.689 229 A CB -0.545 18.480 19.000 0.041 0.000 0.787 229 A HN 1.185 nan 8.150 nan 0.000 0.465 230 A N -2.211 120.679 122.820 0.116 0.000 2.574 230 A HA 0.496 4.816 4.320 -0.000 0.000 0.283 230 A C 1.565 179.192 177.584 0.072 0.000 1.270 230 A CA 0.850 52.974 52.037 0.145 0.000 0.945 230 A CB -0.693 18.467 19.000 0.266 0.000 1.127 230 A HN 1.701 nan 8.150 nan 0.000 0.522 231 G N -0.728 108.085 108.800 0.022 0.000 2.454 231 G HA2 -0.334 3.626 3.960 -0.000 0.000 0.225 231 G HA3 -0.334 3.626 3.960 -0.000 0.000 0.225 231 G C 0.187 175.041 174.900 -0.076 0.000 1.138 231 G CA 0.148 45.198 45.100 -0.083 0.000 0.667 231 G HN 0.533 nan 8.290 nan 0.000 0.512 232 Y N 3.400 123.702 120.300 0.004 0.000 2.770 232 Y HA 0.371 4.921 4.550 -0.000 0.000 0.342 232 Y C -1.659 174.240 175.900 -0.001 0.000 1.221 232 Y CA -0.824 57.278 58.100 0.002 0.000 1.560 232 Y CB 0.041 38.503 38.460 0.004 0.000 1.213 232 Y HN 0.158 nan 8.280 nan 0.000 0.525 233 P HA 0.079 nan 4.420 nan 0.000 0.271 233 P C 0.088 177.424 177.300 0.059 0.000 1.218 233 P CA -0.373 62.764 63.100 0.062 0.000 0.780 233 P CB 1.042 32.763 31.700 0.035 0.000 0.901 234 K N 2.062 122.485 120.400 0.038 0.000 2.026 234 K HA -0.138 4.182 4.320 -0.000 0.000 0.208 234 K C 1.962 178.571 176.600 0.015 0.000 1.048 234 K CA 1.878 58.179 56.287 0.024 0.000 0.929 234 K CB -0.602 31.907 32.500 0.014 0.000 0.713 234 K HN 0.452 nan 8.250 nan 0.000 0.439 235 A N 1.489 124.318 122.820 0.014 0.000 1.972 235 A HA -0.171 4.149 4.320 -0.000 0.000 0.219 235 A C 2.101 179.691 177.584 0.011 0.000 1.169 235 A CA 1.416 53.458 52.037 0.008 0.000 0.635 235 A CB -0.404 18.600 19.000 0.007 0.000 0.810 235 A HN 0.221 nan 8.150 nan 0.000 0.446 236 R N -0.462 120.051 120.500 0.021 0.000 2.092 236 R HA -0.061 4.279 4.340 -0.000 0.000 0.231 236 R C 1.785 178.099 176.300 0.023 0.000 1.119 236 R CA 1.621 57.737 56.100 0.028 0.000 0.970 236 R CB -0.279 30.049 30.300 0.046 0.000 0.864 236 R HN 0.301 nan 8.270 nan 0.000 0.440 237 V N 0.959 120.887 119.914 0.023 0.000 2.379 237 V HA -0.161 3.959 4.120 -0.000 0.000 0.245 237 V C 1.922 178.004 176.094 -0.019 0.000 1.044 237 V CA 1.874 64.173 62.300 -0.001 0.000 1.036 237 V CB -0.446 31.373 31.823 -0.008 0.000 0.664 237 V HN 0.385 nan 8.190 nan 0.000 0.453 238 E N 0.136 120.328 120.200 -0.014 0.000 2.085 238 E HA -0.288 4.062 4.350 -0.000 0.000 0.194 238 E C 2.278 178.867 176.600 -0.019 0.000 0.994 238 E CA 1.593 57.982 56.400 -0.019 0.000 0.801 238 E CB -0.134 29.557 29.700 -0.014 0.000 0.743 238 E HN 0.689 nan 8.360 nan 0.000 0.453 239 E N 0.391 120.584 120.200 -0.011 0.000 2.110 239 E HA -0.193 4.157 4.350 -0.000 0.000 0.193 239 E C 2.017 178.609 176.600 -0.014 0.000 0.988 239 E CA 0.893 57.287 56.400 -0.010 0.000 0.804 239 E CB -0.029 29.669 29.700 -0.003 0.000 0.745 239 E HN 0.232 nan 8.360 nan 0.000 0.458 240 A N 0.990 123.801 122.820 -0.015 0.000 1.877 240 A HA -0.142 4.178 4.320 -0.000 0.000 0.216 240 A C 2.182 179.743 177.584 -0.037 0.000 1.186 240 A CA 1.091 53.115 52.037 -0.022 0.000 0.620 240 A CB -0.629 18.359 19.000 -0.021 0.000 0.822 240 A HN 0.288 nan 8.150 nan 0.000 0.443 241 L N -1.087 120.109 121.223 -0.045 0.000 2.056 241 L HA -0.180 4.160 4.340 -0.000 0.000 0.207 241 L C 2.874 179.717 176.870 -0.046 0.000 1.078 241 L CA 1.310 56.115 54.840 -0.057 0.000 0.749 241 L CB -0.540 41.481 42.059 -0.064 0.000 0.901 241 L HN 0.357 nan 8.230 nan 0.000 0.433 242 R N 0.202 120.681 120.500 -0.035 0.000 2.083 242 R HA -0.176 4.164 4.340 -0.000 0.000 0.237 242 R C 2.390 178.674 176.300 -0.027 0.000 1.137 242 R CA 1.536 57.619 56.100 -0.029 0.000 0.951 242 R CB -0.617 29.670 30.300 -0.022 0.000 0.851 242 R HN 0.356 nan 8.270 nan 0.000 0.434 243 A N 0.828 123.634 122.820 -0.025 0.000 2.070 243 A HA -0.098 4.222 4.320 -0.000 0.000 0.220 243 A C 2.012 179.580 177.584 -0.027 0.000 1.159 243 A CA 1.177 53.201 52.037 -0.022 0.000 0.656 243 A CB -0.280 18.710 19.000 -0.017 0.000 0.800 243 A HN 0.207 nan 8.150 nan 0.000 0.453 244 L N -1.845 119.356 121.223 -0.036 0.000 2.554 244 L HA 0.244 4.584 4.340 -0.000 0.000 0.225 244 L C 1.536 178.380 176.870 -0.044 0.000 1.104 244 L CA 0.467 55.281 54.840 -0.043 0.000 0.866 244 L CB -0.066 41.958 42.059 -0.059 0.000 1.047 244 L HN 0.522 nan 8.230 nan 0.000 0.468 245 G N 1.390 110.165 108.800 -0.042 0.000 2.225 245 G HA2 -0.266 3.694 3.960 -0.000 0.000 0.264 245 G HA3 -0.266 3.694 3.960 -0.000 0.000 0.264 245 G C -0.095 174.775 174.900 -0.049 0.000 1.060 245 G CA -0.052 45.024 45.100 -0.040 0.000 0.833 245 G HN 0.196 nan 8.290 nan 0.000 0.498 246 L N 0.027 121.214 121.223 -0.060 0.000 2.343 246 L HA 0.511 4.851 4.340 -0.000 0.000 0.275 246 L C -1.563 175.268 176.870 -0.064 0.000 1.056 246 L CA -2.406 52.391 54.840 -0.072 0.000 0.804 246 L CB 1.289 43.289 42.059 -0.098 0.000 1.203 246 L HN -0.080 nan 8.230 nan 0.000 0.440 247 P HA 0.044 nan 4.420 nan 0.000 0.267 247 P C -2.065 175.201 177.300 -0.057 0.000 1.200 247 P CA -0.883 62.184 63.100 -0.054 0.000 0.772 247 P CB 0.059 31.727 31.700 -0.054 0.000 0.855 248 P HA -0.028 nan 4.420 nan 0.000 0.225 248 P C 0.512 177.784 177.300 -0.046 0.000 1.156 248 P CA 1.285 64.358 63.100 -0.044 0.000 0.787 248 P CB 0.496 32.176 31.700 -0.033 0.000 0.802 249 R N -0.338 120.135 120.500 -0.046 0.000 2.652 249 R HA 0.258 4.598 4.340 -0.000 0.000 0.372 249 R C 0.147 176.413 176.300 -0.057 0.000 1.104 249 R CA -0.476 55.596 56.100 -0.046 0.000 1.072 249 R CB 0.547 30.826 30.300 -0.034 0.000 1.367 249 R HN 0.001 nan 8.270 nan 0.000 0.577 250 V N 1.536 121.407 119.914 -0.072 0.000 3.061 250 V HA -0.037 4.083 4.120 -0.000 0.000 0.306 250 V C 0.363 176.397 176.094 -0.100 0.000 1.118 250 V CA 0.667 62.914 62.300 -0.088 0.000 1.231 250 V CB 0.483 32.238 31.823 -0.112 0.000 0.956 250 V HN 0.331 nan 8.190 nan 0.000 0.499 251 R N 3.842 124.283 120.500 -0.098 0.000 2.732 251 R HA 0.620 4.960 4.340 -0.000 0.000 0.278 251 R C 1.152 177.360 176.300 -0.154 0.000 0.976 251 R CA -0.160 55.876 56.100 -0.107 0.000 0.963 251 R CB 1.377 31.640 30.300 -0.061 0.000 1.150 251 R HN 0.830 nan 8.270 nan 0.000 0.478 252 A N 1.890 124.562 122.820 -0.246 0.000 1.917 252 A HA -0.249 4.071 4.320 -0.000 0.000 0.219 252 A C 1.702 179.199 177.584 -0.145 0.000 1.182 252 A CA 2.047 53.847 52.037 -0.396 0.000 0.633 252 A CB -0.626 17.748 19.000 -1.042 0.000 0.819 252 A HN 0.919 nan 8.150 nan 0.000 0.448 253 E N 0.026 120.237 120.200 0.019 0.000 2.401 253 E HA -0.203 4.147 4.350 -0.000 0.000 0.199 253 E C 1.246 177.989 176.600 0.239 0.000 1.023 253 E CA 1.291 57.946 56.400 0.425 0.000 0.859 253 E CB -0.332 29.575 29.700 0.344 0.000 0.780 253 E HN 0.800 nan 8.360 nan 0.000 0.523 254 E N 0.675 120.912 120.200 0.061 0.000 2.442 254 E HA 0.131 4.481 4.350 -0.000 0.000 0.195 254 E C 0.245 176.811 176.600 -0.058 0.000 1.030 254 E CA -0.050 56.329 56.400 -0.035 0.000 0.869 254 E CB 0.284 29.944 29.700 -0.067 0.000 0.857 254 E HN 0.265 nan 8.360 nan 0.000 0.505 255 L N 3.128 124.332 121.223 -0.031 0.000 2.276 255 L HA 0.161 4.501 4.340 -0.000 0.000 0.286 255 L C 0.156 177.127 176.870 0.168 0.000 1.061 255 L CA -0.943 53.806 54.840 -0.151 0.000 0.807 255 L CB 0.549 42.139 42.059 -0.781 0.000 1.177 255 L HN 0.058 nan 8.230 nan 0.000 0.429 256 D N 2.195 122.656 120.400 0.102 0.000 2.433 256 D HA 0.047 4.687 4.640 -0.000 0.000 0.255 256 D C 0.882 177.376 176.300 0.323 0.000 1.226 256 D CA -0.666 53.479 54.000 0.242 0.000 1.015 256 D CB 0.859 41.723 40.800 0.106 0.000 1.091 256 D HN 0.250 nan 8.370 nan 0.000 0.527 257 L N -0.317 121.087 121.223 0.301 0.000 2.042 257 L HA -0.139 4.201 4.340 -0.000 0.000 0.210 257 L C 2.132 179.110 176.870 0.180 0.000 1.076 257 L CA 2.100 57.094 54.840 0.257 0.000 0.749 257 L CB -1.085 41.083 42.059 0.182 0.000 0.893 257 L HN 0.672 nan 8.230 nan 0.000 0.432 258 E N -0.150 120.120 120.200 0.116 0.000 2.085 258 E HA -0.217 4.132 4.350 -0.000 0.000 0.194 258 E C 2.072 178.691 176.600 0.032 0.000 0.994 258 E CA 1.708 58.146 56.400 0.064 0.000 0.801 258 E CB -0.405 29.319 29.700 0.039 0.000 0.743 258 E HN 0.529 nan 8.360 nan 0.000 0.453 259 A N -0.449 122.370 122.820 -0.003 0.000 1.902 259 A HA -0.091 4.228 4.320 -0.000 0.000 0.217 259 A C 2.077 179.574 177.584 -0.145 0.000 1.181 259 A CA 1.349 53.322 52.037 -0.106 0.000 0.623 259 A CB -0.915 17.969 19.000 -0.192 0.000 0.818 259 A HN 0.369 nan 8.150 nan 0.000 0.443 260 F N 0.033 119.959 119.950 -0.039 0.000 2.134 260 F HA -0.124 4.403 4.527 -0.000 0.000 0.299 260 F C 2.580 178.325 175.800 -0.091 0.000 1.097 260 F CA 1.675 59.625 58.000 -0.084 0.000 1.264 260 F CB -0.306 38.628 39.000 -0.110 0.000 1.001 260 F HN 0.119 nan 8.300 nan 0.000 0.479 261 R N -0.192 120.374 120.500 0.109 0.000 2.081 261 R HA -0.126 4.214 4.340 -0.000 0.000 0.235 261 R C 2.304 178.619 176.300 0.024 0.000 1.131 261 R CA 1.366 57.495 56.100 0.048 0.000 0.960 261 R CB -0.322 30.008 30.300 0.050 0.000 0.856 261 R HN 0.277 nan 8.270 nan 0.000 0.436 262 R N 0.271 120.775 120.500 0.006 0.000 2.073 262 R HA -0.092 4.248 4.340 -0.000 0.000 0.229 262 R C 2.323 178.608 176.300 -0.025 0.000 1.120 262 R CA 0.883 56.975 56.100 -0.013 0.000 0.967 262 R CB -0.420 29.864 30.300 -0.027 0.000 0.862 262 R HN 0.104 nan 8.270 nan 0.000 0.436 263 L N 1.405 122.599 121.223 -0.048 0.000 2.046 263 L HA -0.174 4.166 4.340 -0.000 0.000 0.208 263 L C 2.466 179.323 176.870 -0.022 0.000 1.077 263 L CA 1.759 56.562 54.840 -0.062 0.000 0.747 263 L CB -0.429 41.553 42.059 -0.129 0.000 0.896 263 L HN 0.013 nan 8.230 nan 0.000 0.432 264 R N 0.116 120.620 120.500 0.006 0.000 2.073 264 R HA -0.226 4.113 4.340 -0.000 0.000 0.234 264 R C 2.235 178.553 176.300 0.030 0.000 1.134 264 R CA 2.105 58.220 56.100 0.025 0.000 0.952 264 R CB -0.577 29.737 30.300 0.024 0.000 0.850 264 R HN 0.681 nan 8.270 nan 0.000 0.433 265 E N -0.906 119.306 120.200 0.020 0.000 2.110 265 E HA -0.125 4.225 4.350 -0.000 0.000 0.193 265 E C 1.756 178.366 176.600 0.016 0.000 0.988 265 E CA 1.246 57.658 56.400 0.019 0.000 0.804 265 E CB -0.298 29.411 29.700 0.015 0.000 0.745 265 E HN 0.526 nan 8.360 nan 0.000 0.458 266 G N 1.183 109.987 108.800 0.007 0.000 2.402 266 G HA2 -0.213 3.747 3.960 -0.000 0.000 0.216 266 G HA3 -0.213 3.747 3.960 -0.000 0.000 0.216 266 G C 1.588 176.497 174.900 0.016 0.000 1.162 266 G CA 0.571 45.673 45.100 0.003 0.000 0.777 266 G HN 0.191 nan 8.290 nan 0.000 0.539 267 L N -1.083 120.157 121.223 0.028 0.000 2.056 267 L HA 0.212 4.552 4.340 -0.000 0.000 0.207 267 L C 1.073 177.979 176.870 0.060 0.000 1.078 267 L CA 0.857 55.732 54.840 0.058 0.000 0.749 267 L CB -0.125 41.997 42.059 0.104 0.000 0.901 267 L HN 0.214 nan 8.230 nan 0.000 0.433 268 E N 0.000 120.232 120.200 0.053 0.000 2.725 268 E HA 0.000 4.350 4.350 -0.000 0.000 0.291 268 E CA 0.000 56.425 56.400 0.041 0.000 0.976 268 E CB 0.000 29.721 29.700 0.035 0.000 0.812 268 E HN 0.000 nan 8.360 nan 0.000 0.440