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 1rzr_1_C DATA FIRST_RESID 2 DATA SEQUENCE NVTIYDVARE ASVSXATVSR VVNGNPNVKP STRKKVLETI ERLGYRPNAV DATA SEQUENCE ARGLASKKTT TVGVIIPDIS NIFYAELARG IEDIATXYKY NIILSNSDQN DATA SEQUENCE QDKELHLLNN XLGKQVDGII FXSGNVTEEH VEELKKSPVP VVLAASIEST DATA SEQUENCE NQIPSVTIDY EQAAFDAVQS LIDSGHKNIA FVSGTLEEPI NHAKKVKGYK DATA SEQUENCE RALTESGLPV RDSYIVEGDY TYDSGIEAVE KLLEEDEKPT AIFVGTDEXA DATA SEQUENCE LGVIHGAQDR GLNVPNDLEI IGFDNTRLST XVRPQLTSVV QPXYDIGAVA DATA SEQUENCE XRLLTKYXNK ETVDSSIVQL PHRIEFRQST K 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 2 N HA 0.000 nan 4.740 nan 0.000 0.220 2 N C 0.000 175.559 175.510 0.082 0.000 1.280 2 N CA 0.000 53.071 53.050 0.034 0.000 0.885 2 N CB 0.000 38.503 38.487 0.027 0.000 1.341 3 V N 2.971 122.951 119.914 0.110 0.000 2.393 3 V HA 0.091 4.211 4.120 -0.000 0.000 0.257 3 V C 1.349 177.620 176.094 0.295 0.000 1.040 3 V CA 0.821 63.224 62.300 0.172 0.000 1.097 3 V CB -0.504 31.425 31.823 0.177 0.000 1.101 3 V HN 0.385 nan 8.190 nan 0.000 0.479 4 T N 4.009 118.710 114.554 0.245 0.000 2.698 4 T HA 0.138 4.488 4.350 -0.000 0.000 0.295 4 T C 1.498 176.388 174.700 0.316 0.000 1.007 4 T CA 0.188 62.475 62.100 0.312 0.000 0.980 4 T CB 0.570 69.558 68.868 0.200 0.000 1.036 4 T HN 0.489 nan 8.240 nan 0.000 0.526 5 I N 1.034 121.794 120.570 0.315 0.000 2.264 5 I HA -0.138 4.032 4.170 -0.000 0.000 0.248 5 I C 2.010 178.119 176.117 -0.012 0.000 1.111 5 I CA 1.835 63.129 61.300 -0.010 0.000 1.382 5 I CB -0.386 37.669 38.000 0.091 0.000 1.060 5 I HN 0.893 nan 8.210 nan 0.000 0.418 6 Y N 2.002 122.294 120.300 -0.013 0.000 2.181 6 Y HA -0.307 4.243 4.550 0.000 0.000 0.288 6 Y C 1.951 177.834 175.900 -0.028 0.000 1.146 6 Y CA 2.119 60.208 58.100 -0.020 0.000 1.164 6 Y CB -0.519 37.943 38.460 0.004 0.000 0.982 6 Y HN 0.269 nan 8.280 nan 0.000 0.515 7 D N -0.306 120.209 120.400 0.191 0.000 2.123 7 D HA -0.192 4.448 4.640 -0.000 0.000 0.196 7 D C 2.314 178.569 176.300 -0.076 0.000 0.992 7 D CA 1.890 55.944 54.000 0.090 0.000 0.833 7 D CB -0.345 40.541 40.800 0.143 0.000 0.954 7 D HN 0.324 nan 8.370 nan 0.000 0.455 8 V N 0.892 120.728 119.914 -0.129 0.000 2.379 8 V HA -0.166 3.954 4.120 -0.000 0.000 0.245 8 V C 2.421 178.395 176.094 -0.201 0.000 1.044 8 V CA 1.472 63.657 62.300 -0.192 0.000 1.036 8 V CB -0.888 30.730 31.823 -0.342 0.000 0.664 8 V HN 0.201 nan 8.190 nan 0.000 0.453 9 A N -0.160 122.517 122.820 -0.237 0.000 2.148 9 A HA -0.242 4.078 4.320 -0.000 0.000 0.222 9 A C 2.355 179.791 177.584 -0.247 0.000 1.161 9 A CA 1.655 53.549 52.037 -0.239 0.000 0.662 9 A CB -0.404 18.430 19.000 -0.277 0.000 0.799 9 A HN 0.440 nan 8.150 nan 0.000 0.466 10 R N -0.891 119.448 120.500 -0.268 0.000 2.052 10 R HA 0.006 4.346 4.340 -0.000 0.000 0.224 10 R C 2.011 178.236 176.300 -0.125 0.000 1.149 10 R CA 0.885 56.860 56.100 -0.207 0.000 0.962 10 R CB -0.793 29.387 30.300 -0.199 0.000 0.856 10 R HN 0.546 nan 8.270 nan 0.000 0.433 11 E N 1.110 121.248 120.200 -0.104 0.000 2.065 11 E HA -0.166 4.184 4.350 -0.000 0.000 0.201 11 E C 1.713 178.270 176.600 -0.072 0.000 1.016 11 E CA 1.757 58.114 56.400 -0.072 0.000 0.818 11 E CB -0.089 29.575 29.700 -0.061 0.000 0.749 11 E HN 0.267 nan 8.360 nan 0.000 0.453 12 A N 0.091 122.858 122.820 -0.089 0.000 2.168 12 A HA -0.011 4.309 4.320 -0.000 0.000 0.215 12 A C 1.047 178.585 177.584 -0.077 0.000 1.152 12 A CA 1.063 53.053 52.037 -0.078 0.000 0.716 12 A CB -0.052 18.895 19.000 -0.089 0.000 0.794 12 A HN 0.173 nan 8.150 nan 0.000 0.465 13 S N -1.690 113.954 115.700 -0.092 0.000 3.581 13 S HA -0.152 4.318 4.470 -0.000 0.000 0.354 13 S C 0.231 174.782 174.600 -0.081 0.000 1.059 13 S CA 0.724 58.871 58.200 -0.087 0.000 1.060 13 S CB -2.854 60.308 63.200 -0.062 0.000 0.908 13 S HN 1.718 nan 8.310 nan 0.000 0.475 14 V N -2.915 116.943 119.914 -0.094 0.000 3.181 14 V HA 0.944 5.064 4.120 -0.000 0.000 0.314 14 V C 0.773 176.813 176.094 -0.090 0.000 1.173 14 V CA -0.485 61.769 62.300 -0.077 0.000 1.052 14 V CB 1.623 33.405 31.823 -0.067 0.000 1.123 14 V HN 0.305 nan 8.190 nan 0.000 0.454 18 T N -0.649 113.891 114.554 -0.023 0.000 2.894 18 T HA 0.030 4.380 4.350 -0.000 0.000 0.258 18 T C 1.722 176.398 174.700 -0.039 0.000 1.043 18 T CA 1.623 63.705 62.100 -0.030 0.000 1.141 18 T CB -0.762 68.083 68.868 -0.037 0.000 0.873 18 T HN 0.330 nan 8.240 nan 0.000 0.449 19 V N 2.047 121.926 119.914 -0.058 0.000 2.427 19 V HA -0.145 3.975 4.120 -0.000 0.000 0.248 19 V C 2.952 179.019 176.094 -0.044 0.000 1.051 19 V CA 1.661 63.914 62.300 -0.079 0.000 1.048 19 V CB -1.265 30.471 31.823 -0.146 0.000 0.666 19 V HN 0.575 nan 8.190 nan 0.000 0.456 20 S N 0.148 115.834 115.700 -0.024 0.000 2.392 20 S HA -0.283 4.187 4.470 -0.000 0.000 0.232 20 S C 2.195 176.798 174.600 0.004 0.000 1.041 20 S CA 2.028 60.231 58.200 0.004 0.000 1.026 20 S CB -0.223 62.983 63.200 0.010 0.000 0.845 20 S HN 0.641 nan 8.310 nan 0.000 0.465 21 R N 0.359 120.855 120.500 -0.006 0.000 2.057 21 R HA -0.010 4.330 4.340 -0.000 0.000 0.229 21 R C 2.583 178.880 176.300 -0.004 0.000 1.136 21 R CA 1.542 57.640 56.100 -0.004 0.000 0.952 21 R CB -1.106 29.190 30.300 -0.007 0.000 0.848 21 R HN 0.554 nan 8.270 nan 0.000 0.430 22 V N -0.265 119.641 119.914 -0.013 0.000 2.252 22 V HA -0.228 3.891 4.120 -0.000 0.000 0.249 22 V C 2.248 178.343 176.094 0.002 0.000 1.056 22 V CA 1.957 64.251 62.300 -0.011 0.000 1.022 22 V CB -1.019 30.789 31.823 -0.025 0.000 0.641 22 V HN 0.060 nan 8.190 nan 0.000 0.445 23 V N 1.947 121.867 119.914 0.009 0.000 2.317 23 V HA -0.283 3.836 4.120 -0.000 0.000 0.251 23 V C 2.077 178.189 176.094 0.029 0.000 1.065 23 V CA 2.838 65.160 62.300 0.037 0.000 1.049 23 V CB -1.330 30.535 31.823 0.069 0.000 0.651 23 V HN 0.725 nan 8.190 nan 0.000 0.450 24 N N -0.210 118.501 118.700 0.019 0.000 2.251 24 N HA 0.342 5.082 4.740 -0.000 0.000 0.217 24 N C 0.837 176.351 175.510 0.008 0.000 1.124 24 N CA 0.664 53.722 53.050 0.013 0.000 0.843 24 N CB 0.610 39.104 38.487 0.011 0.000 1.024 24 N HN 0.485 nan 8.380 nan 0.000 0.501 25 G N -0.115 108.688 108.800 0.006 0.000 2.363 25 G HA2 -0.331 3.628 3.960 -0.000 0.000 0.286 25 G HA3 -0.331 3.628 3.960 -0.000 0.000 0.286 25 G C 0.292 175.194 174.900 0.004 0.000 0.975 25 G CA 0.506 45.609 45.100 0.004 0.000 1.309 25 G HN 0.735 nan 8.290 nan 0.000 0.491 26 N N 0.306 119.007 118.700 0.002 0.000 2.347 26 N HA 0.867 5.607 4.740 -0.000 0.000 0.253 26 N C -0.700 174.811 175.510 0.002 0.000 1.274 26 N CA -0.270 52.781 53.050 0.002 0.000 0.941 26 N CB 0.079 nan 38.487 nan 0.000 1.200 26 N HN 1.214 nan 8.380 nan 0.000 0.514 27 P HA 0.540 nan 4.420 nan 0.000 0.266 27 P C 0.204 177.505 177.300 0.001 0.000 1.419 27 P CA 1.330 64.431 63.100 0.003 0.000 1.112 27 P CB -1.795 nan 31.700 nan 0.000 1.438 28 N N -0.365 118.335 118.700 -0.000 0.000 4.133 28 N HA 0.159 4.899 4.740 -0.000 0.000 0.316 28 N C -0.515 174.992 175.510 -0.004 0.000 2.208 28 N CA 0.252 53.300 53.050 -0.002 0.000 2.916 28 N CB -1.573 nan 38.487 nan 0.000 0.314 28 N HN 0.928 nan 8.380 nan 0.000 0.696 29 V N 1.717 121.628 119.914 -0.006 0.000 2.850 29 V HA 0.299 4.419 4.120 -0.000 0.000 0.276 29 V C 0.328 176.417 176.094 -0.009 0.000 1.467 29 V CA -0.657 61.638 62.300 -0.009 0.000 0.926 29 V CB 1.632 33.448 31.823 -0.010 0.000 1.131 29 V HN 1.172 nan 8.190 nan 0.000 0.453 30 K N 6.464 126.858 120.400 -0.010 0.000 2.477 30 K HA -0.035 4.285 4.320 -0.000 0.000 0.275 30 K C -1.550 175.045 176.600 -0.010 0.000 1.054 30 K CA -0.395 55.886 56.287 -0.009 0.000 1.135 30 K CB 0.947 33.441 32.500 -0.010 0.000 0.854 30 K HN 0.333 nan 8.250 nan 0.000 0.484 31 P HA -0.202 nan 4.420 nan 0.000 0.217 31 P C 0.302 177.597 177.300 -0.008 0.000 1.148 31 P CA 1.363 64.459 63.100 -0.007 0.000 0.834 31 P CB 0.302 31.998 31.700 -0.005 0.000 0.783 32 S N -1.586 114.109 115.700 -0.009 0.000 2.406 32 S HA -0.075 4.395 4.470 -0.000 0.000 0.224 32 S C 1.884 176.476 174.600 -0.014 0.000 1.030 32 S CA 1.593 59.786 58.200 -0.010 0.000 0.958 32 S CB -1.317 61.877 63.200 -0.010 0.000 0.811 32 S HN 0.343 nan 8.310 nan 0.000 0.489 33 T N 0.485 115.029 114.554 -0.015 0.000 3.067 33 T HA 0.118 4.468 4.350 -0.000 0.000 0.261 33 T C 1.649 176.335 174.700 -0.022 0.000 1.110 33 T CA 0.392 62.481 62.100 -0.020 0.000 1.113 33 T CB -0.063 68.793 68.868 -0.020 0.000 0.917 33 T HN 0.348 nan 8.240 nan 0.000 0.499 34 R N 1.031 121.520 120.500 -0.018 0.000 2.080 34 R HA 0.128 4.468 4.340 -0.000 0.000 0.222 34 R C 1.590 177.879 176.300 -0.018 0.000 1.107 34 R CA 0.507 56.596 56.100 -0.019 0.000 0.980 34 R CB 0.077 30.369 30.300 -0.013 0.000 0.879 34 R HN 0.081 nan 8.270 nan 0.000 0.439 35 K N 0.941 121.332 120.400 -0.014 0.000 2.487 35 K HA -0.005 4.315 4.320 -0.000 0.000 0.192 35 K C 1.417 178.009 176.600 -0.015 0.000 1.027 35 K CA 0.292 56.572 56.287 -0.012 0.000 1.054 35 K CB 0.329 32.824 32.500 -0.008 0.000 0.824 35 K HN 0.131 nan 8.250 nan 0.000 0.510 36 K N 1.171 121.559 120.400 -0.019 0.000 2.099 36 K HA 0.006 4.326 4.320 -0.000 0.000 0.203 36 K C 1.893 178.475 176.600 -0.029 0.000 1.047 36 K CA 0.671 56.945 56.287 -0.022 0.000 0.963 36 K CB -0.251 32.235 32.500 -0.024 0.000 0.759 36 K HN -0.041 nan 8.250 nan 0.000 0.451 37 V N 1.849 121.741 119.914 -0.036 0.000 2.255 37 V HA -0.144 3.976 4.120 -0.000 0.000 0.243 37 V C 2.435 178.501 176.094 -0.046 0.000 1.038 37 V CA 1.428 63.697 62.300 -0.051 0.000 1.008 37 V CB -0.350 31.436 31.823 -0.062 0.000 0.645 37 V HN 0.398 nan 8.190 nan 0.000 0.449 38 L N 0.100 121.303 121.223 -0.034 0.000 2.263 38 L HA -0.252 4.087 4.340 -0.000 0.000 0.216 38 L C 2.400 179.263 176.870 -0.011 0.000 1.111 38 L CA 2.308 57.137 54.840 -0.019 0.000 0.773 38 L CB -0.211 41.843 42.059 -0.008 0.000 0.906 38 L HN 0.597 nan 8.230 nan 0.000 0.439 39 E N -0.693 119.497 120.200 -0.016 0.000 2.016 39 E HA -0.210 4.140 4.350 -0.000 0.000 0.190 39 E C 1.940 178.533 176.600 -0.011 0.000 0.985 39 E CA 1.705 58.099 56.400 -0.011 0.000 0.802 39 E CB 0.004 29.696 29.700 -0.013 0.000 0.762 39 E HN 0.583 nan 8.360 nan 0.000 0.448 40 T N -1.058 113.482 114.554 -0.022 0.000 3.072 40 T HA -0.016 4.334 4.350 -0.000 0.000 0.266 40 T C 1.825 176.513 174.700 -0.020 0.000 1.127 40 T CA 0.391 62.477 62.100 -0.023 0.000 1.107 40 T CB -0.227 68.619 68.868 -0.036 0.000 0.910 40 T HN 0.104 nan 8.240 nan 0.000 0.513 41 I N 1.354 121.911 120.570 -0.022 0.000 2.110 41 I HA -0.111 4.058 4.170 -0.000 0.000 0.236 41 I C 2.830 178.976 176.117 0.048 0.000 1.068 41 I CA 1.577 62.874 61.300 -0.005 0.000 1.333 41 I CB -0.241 37.755 38.000 -0.005 0.000 1.054 41 I HN 0.292 nan 8.210 nan 0.000 0.402 42 E N 0.334 120.559 120.200 0.041 0.000 2.153 42 E HA -0.226 4.124 4.350 -0.000 0.000 0.194 42 E C 2.256 178.877 176.600 0.035 0.000 0.988 42 E CA 0.692 57.119 56.400 0.044 0.000 0.811 42 E CB -0.095 29.623 29.700 0.030 0.000 0.746 42 E HN 0.338 nan 8.360 nan 0.000 0.466 43 R N 0.394 120.908 120.500 0.023 0.000 2.115 43 R HA -0.199 4.141 4.340 -0.000 0.000 0.239 43 R C 2.158 178.474 176.300 0.026 0.000 1.133 43 R CA 1.229 57.340 56.100 0.018 0.000 0.935 43 R CB -0.343 29.962 30.300 0.008 0.000 0.853 43 R HN 0.139 nan 8.270 nan 0.000 0.433 44 L N -1.689 119.556 121.223 0.036 0.000 1.863 44 L HA -0.083 4.257 4.340 -0.000 0.000 0.225 44 L C 1.628 178.533 176.870 0.057 0.000 1.098 44 L CA 2.357 57.227 54.840 0.049 0.000 0.814 44 L CB -1.149 40.952 42.059 0.070 0.000 0.888 44 L HN 0.597 nan 8.230 nan 0.000 0.431 45 G N -3.040 105.812 108.800 0.087 0.000 4.718 45 G HA2 -0.089 3.871 3.960 -0.000 0.000 0.221 45 G HA3 -0.089 3.871 3.960 -0.000 0.000 0.221 45 G C -0.290 174.664 174.900 0.090 0.000 0.720 45 G CA -0.419 44.723 45.100 0.070 0.000 1.094 45 G HN 0.249 nan 8.290 nan 0.000 0.760 46 Y N 2.104 122.409 120.300 0.008 0.000 2.811 46 Y HA 0.377 4.927 4.550 -0.001 0.000 0.334 46 Y C 0.620 176.524 175.900 0.008 0.000 1.247 46 Y CA 0.346 58.452 58.100 0.010 0.000 1.526 46 Y CB 0.464 38.930 38.460 0.010 0.000 1.284 46 Y HN 0.214 nan 8.280 nan 0.000 0.586 47 R N 9.065 129.154 120.500 -0.684 0.000 2.422 47 R HA 0.370 4.710 4.340 -0.000 0.000 0.307 47 R C -2.721 173.081 176.300 -0.831 0.000 1.004 47 R CA -2.214 53.559 56.100 -0.544 0.000 0.882 47 R CB 0.936 31.080 30.300 -0.259 0.000 1.164 47 R HN 0.566 nan 8.270 nan 0.000 0.489 48 P HA -0.110 nan 4.420 nan 0.000 0.265 48 P C -1.159 176.012 177.300 -0.216 0.000 1.187 48 P CA 0.227 63.101 63.100 -0.376 0.000 0.766 48 P CB 0.603 32.288 31.700 -0.024 0.000 0.820 49 N N 1.813 120.440 118.700 -0.122 0.000 2.420 49 N HA 0.225 4.965 4.740 -0.000 0.000 0.249 49 N C 1.144 176.636 175.510 -0.029 0.000 1.033 49 N CA -0.399 52.610 53.050 -0.069 0.000 0.944 49 N CB 0.756 39.220 38.487 -0.039 0.000 1.113 49 N HN 0.372 nan 8.380 nan 0.000 0.502 50 A N 3.371 126.172 122.820 -0.032 0.000 2.121 50 A HA -0.039 4.281 4.320 -0.000 0.000 0.218 50 A C 1.704 179.283 177.584 -0.009 0.000 1.154 50 A CA 0.872 52.898 52.037 -0.018 0.000 0.679 50 A CB 0.011 18.999 19.000 -0.020 0.000 0.795 50 A HN 0.556 nan 8.150 nan 0.000 0.458 51 V N -0.884 119.025 119.914 -0.009 0.000 2.599 51 V HA -0.058 4.062 4.120 -0.000 0.000 0.245 51 V C 2.904 178.999 176.094 0.002 0.000 1.046 51 V CA 1.331 63.629 62.300 -0.003 0.000 1.065 51 V CB -0.843 30.977 31.823 -0.005 0.000 0.703 51 V HN 0.545 nan 8.190 nan 0.000 0.464 52 A N 1.013 123.836 122.820 0.005 0.000 1.933 52 A HA -0.239 4.081 4.320 -0.000 0.000 0.218 52 A C 2.386 179.981 177.584 0.017 0.000 1.175 52 A CA 2.133 54.178 52.037 0.014 0.000 0.628 52 A CB -0.478 18.537 19.000 0.025 0.000 0.814 52 A HN 0.558 nan 8.150 nan 0.000 0.444 53 R N -0.568 119.942 120.500 0.016 0.000 2.075 53 R HA 0.013 4.353 4.340 -0.000 0.000 0.226 53 R C 2.232 178.538 176.300 0.010 0.000 1.114 53 R CA 1.502 57.612 56.100 0.016 0.000 0.972 53 R CB -0.925 29.384 30.300 0.015 0.000 0.869 53 R HN 0.331 nan 8.270 nan 0.000 0.437 54 G N 2.129 110.933 108.800 0.006 0.000 2.529 54 G HA2 -0.304 3.656 3.960 -0.000 0.000 0.219 54 G HA3 -0.304 3.656 3.960 -0.000 0.000 0.219 54 G C 1.504 176.408 174.900 0.008 0.000 1.177 54 G CA 0.967 46.071 45.100 0.006 0.000 0.773 54 G HN 0.264 nan 8.290 nan 0.000 0.573 55 L N 0.498 121.725 121.223 0.007 0.000 2.012 55 L HA -0.126 4.214 4.340 -0.000 0.000 0.210 55 L C 3.309 180.184 176.870 0.009 0.000 1.073 55 L CA 1.722 56.567 54.840 0.007 0.000 0.748 55 L CB -0.475 41.588 42.059 0.007 0.000 0.891 55 L HN 0.364 nan 8.230 nan 0.000 0.431 56 A N -1.140 121.687 122.820 0.011 0.000 2.067 56 A HA -0.131 4.188 4.320 -0.000 0.000 0.219 56 A C 2.064 179.655 177.584 0.012 0.000 1.158 56 A CA 1.590 53.635 52.037 0.013 0.000 0.661 56 A CB -0.282 18.729 19.000 0.017 0.000 0.801 56 A HN 0.593 nan 8.150 nan 0.000 0.452 57 S N -2.084 113.623 115.700 0.011 0.000 2.701 57 S HA 0.242 4.712 4.470 -0.000 0.000 0.242 57 S C 0.415 175.021 174.600 0.011 0.000 1.025 57 S CA 0.322 58.528 58.200 0.011 0.000 1.016 57 S CB -0.274 62.932 63.200 0.010 0.000 0.977 57 S HN 0.439 nan 8.310 nan 0.000 0.546 58 K N 1.182 121.588 120.400 0.010 0.000 3.012 58 K HA -0.175 4.144 4.320 -0.000 0.000 0.259 58 K C -0.914 175.695 176.600 0.016 0.000 0.989 58 K CA 0.937 57.231 56.287 0.011 0.000 0.728 58 K CB -1.494 31.012 32.500 0.010 0.000 1.260 58 K HN 0.510 nan 8.250 nan 0.000 0.480 59 K N -0.690 119.720 120.400 0.017 0.000 2.543 59 K HA 0.176 4.495 4.320 -0.000 0.000 0.255 59 K C 0.626 177.236 176.600 0.017 0.000 0.934 59 K CA -0.263 56.038 56.287 0.025 0.000 0.810 59 K CB 1.898 34.411 32.500 0.022 0.000 1.315 59 K HN 0.136 nan 8.250 nan 0.000 0.433 60 T N -3.575 110.997 114.554 0.031 0.000 2.985 60 T HA -0.053 4.297 4.350 -0.000 0.000 0.254 60 T C 0.825 175.530 174.700 0.008 0.000 1.021 60 T CA 0.746 62.859 62.100 0.022 0.000 0.957 60 T CB -0.261 68.627 68.868 0.033 0.000 1.047 60 T HN 0.866 nan 8.240 nan 0.000 0.511 61 T N -0.279 114.279 114.554 0.007 0.000 4.131 61 T HA -0.186 4.163 4.350 -0.000 0.000 0.347 61 T C -0.026 174.729 174.700 0.090 0.000 0.755 61 T CA 0.953 62.967 62.100 -0.144 0.000 1.936 61 T CB -3.100 65.606 68.868 -0.270 0.000 1.861 61 T HN 1.216 nan 8.240 nan 0.000 0.863 62 T N -0.733 113.972 114.554 0.252 0.000 3.032 62 T HA 0.622 4.972 4.350 -0.000 0.000 0.312 62 T C -0.457 174.357 174.700 0.191 0.000 1.078 62 T CA -0.151 62.087 62.100 0.231 0.000 1.028 62 T CB 1.972 70.903 68.868 0.105 0.000 1.091 62 T HN 0.620 nan 8.240 nan 0.000 0.457 63 V N 3.072 123.061 119.914 0.125 0.000 2.850 63 V HA 0.888 5.008 4.120 -0.000 0.000 0.315 63 V C 1.044 177.143 176.094 0.010 0.000 1.064 63 V CA -0.451 61.856 62.300 0.012 0.000 0.979 63 V CB 1.976 33.737 31.823 -0.103 0.000 1.039 63 V HN 1.141 nan 8.190 nan 0.000 0.452 64 G N 0.719 109.515 108.800 -0.008 0.000 2.416 64 G HA2 0.589 4.549 3.960 -0.000 0.000 0.324 64 G HA3 0.589 4.549 3.960 -0.000 0.000 0.324 64 G C -1.298 173.596 174.900 -0.011 0.000 1.194 64 G CA -0.419 44.676 45.100 -0.007 0.000 0.922 64 G HN 0.773 nan 8.290 nan 0.000 0.467 65 V N 3.567 123.474 119.914 -0.013 0.000 2.588 65 V HA 0.740 4.860 4.120 -0.000 0.000 0.304 65 V C -0.840 175.239 176.094 -0.025 0.000 1.042 65 V CA -1.059 61.229 62.300 -0.021 0.000 0.877 65 V CB 1.457 33.256 31.823 -0.039 0.000 0.996 65 V HN 0.599 nan 8.190 nan 0.000 0.425 66 I N 8.648 129.204 120.570 -0.022 0.000 2.502 66 I HA 0.432 4.601 4.170 -0.000 0.000 0.276 66 I C -0.224 175.775 176.117 -0.197 0.000 1.057 66 I CA -0.526 60.750 61.300 -0.041 0.000 1.163 66 I CB 1.234 39.302 38.000 0.112 0.000 1.288 66 I HN 0.600 nan 8.210 nan 0.000 0.479 67 I N 3.931 124.353 120.570 -0.246 0.000 2.676 67 I HA 0.577 4.747 4.170 -0.000 0.000 0.309 67 I C -2.271 173.543 176.117 -0.506 0.000 0.990 67 I CA -2.591 58.441 61.300 -0.447 0.000 1.168 67 I CB 1.165 38.919 38.000 -0.410 0.000 1.343 67 I HN 0.085 nan 8.210 nan 0.000 0.482 68 P HA -0.110 nan 4.420 nan 0.000 0.211 68 P C -0.459 176.629 177.300 -0.352 0.000 1.179 68 P CA 1.598 64.359 63.100 -0.566 0.000 0.910 68 P CB 0.127 31.403 31.700 -0.706 0.000 0.785 69 D N -1.784 118.386 120.400 -0.383 0.000 2.375 69 D HA 0.115 4.755 4.640 -0.000 0.000 0.241 69 D C 0.368 176.751 176.300 0.139 0.000 1.361 69 D CA -0.443 53.555 54.000 -0.003 0.000 0.995 69 D CB 0.133 41.017 40.800 0.140 0.000 1.312 69 D HN -0.208 nan 8.370 nan 0.000 0.576 70 I N 1.820 122.425 120.570 0.057 0.000 3.164 70 I HA -0.004 4.166 4.170 -0.000 0.000 0.278 70 I C 1.889 178.070 176.117 0.108 0.000 1.320 70 I CA 0.642 61.998 61.300 0.094 0.000 1.422 70 I CB -1.116 36.911 38.000 0.045 0.000 1.066 70 I HN 0.286 nan 8.210 nan 0.000 0.503 71 S N 0.821 116.587 115.700 0.109 0.000 2.446 71 S HA -0.028 4.442 4.470 -0.000 0.000 0.225 71 S C 1.136 175.797 174.600 0.102 0.000 1.016 71 S CA -0.026 58.227 58.200 0.089 0.000 0.943 71 S CB -0.505 62.738 63.200 0.073 0.000 0.786 71 S HN 0.668 nan 8.310 nan 0.000 0.508 72 N N 1.558 120.348 118.700 0.150 0.000 2.430 72 N HA 0.044 4.784 4.740 -0.000 0.000 0.265 72 N C 1.339 176.901 175.510 0.087 0.000 1.100 72 N CA 0.136 53.253 53.050 0.111 0.000 0.961 72 N CB 0.983 39.541 38.487 0.118 0.000 1.075 72 N HN 0.316 nan 8.380 nan 0.000 0.478 73 I N 3.599 124.203 120.570 0.058 0.000 2.182 73 I HA -0.297 3.873 4.170 -0.000 0.000 0.248 73 I C 2.053 178.234 176.117 0.107 0.000 1.073 73 I CA 1.412 62.749 61.300 0.062 0.000 1.335 73 I CB -0.902 37.113 38.000 0.026 0.000 1.031 73 I HN 0.520 nan 8.210 nan 0.000 0.420 74 F N 0.683 120.530 119.950 -0.172 0.000 2.008 74 F HA -0.383 4.144 4.527 0.000 0.000 0.297 74 F C 2.664 178.351 175.800 -0.188 0.000 1.156 74 F CA 1.748 59.594 58.000 -0.258 0.000 1.191 74 F CB -0.288 38.400 39.000 -0.519 0.000 0.955 74 F HN 0.044 nan 8.300 nan 0.000 0.497 75 Y N 0.557 120.904 120.300 0.078 0.000 2.128 75 Y HA -0.248 4.302 4.550 0.000 0.000 0.284 75 Y C 2.592 178.484 175.900 -0.012 0.000 1.154 75 Y CA 0.883 58.938 58.100 -0.076 0.000 1.149 75 Y CB -1.658 36.748 38.460 -0.091 0.000 0.976 75 Y HN 0.177 nan 8.280 nan 0.000 0.505 76 A N 0.103 123.027 122.820 0.173 0.000 1.892 76 A HA -0.301 4.019 4.320 -0.000 0.000 0.218 76 A C 2.153 179.792 177.584 0.092 0.000 1.188 76 A CA 2.225 54.329 52.037 0.112 0.000 0.631 76 A CB -0.846 18.213 19.000 0.097 0.000 0.822 76 A HN 0.528 nan 8.150 nan 0.000 0.447 77 E N -1.088 119.182 120.200 0.117 0.000 2.072 77 E HA -0.149 4.201 4.350 -0.000 0.000 0.191 77 E C 1.923 178.570 176.600 0.080 0.000 0.985 77 E CA 1.053 57.534 56.400 0.134 0.000 0.801 77 E CB -0.185 29.620 29.700 0.175 0.000 0.750 77 E HN 0.474 nan 8.360 nan 0.000 0.452 78 L N 0.789 122.055 121.223 0.072 0.000 2.017 78 L HA -0.119 4.221 4.340 -0.000 0.000 0.208 78 L C 2.128 178.963 176.870 -0.058 0.000 1.073 78 L CA 2.232 57.072 54.840 0.001 0.000 0.745 78 L CB -1.058 40.996 42.059 -0.009 0.000 0.894 78 L HN 0.094 nan 8.230 nan 0.000 0.432 79 A N -0.434 122.378 122.820 -0.013 0.000 1.883 79 A HA -0.290 4.029 4.320 -0.000 0.000 0.217 79 A C 2.438 179.981 177.584 -0.068 0.000 1.186 79 A CA 1.990 54.007 52.037 -0.034 0.000 0.624 79 A CB -0.660 18.342 19.000 0.003 0.000 0.822 79 A HN 0.472 nan 8.150 nan 0.000 0.444 80 R N 0.007 120.476 120.500 -0.051 0.000 2.096 80 R HA -0.103 4.237 4.340 -0.000 0.000 0.240 80 R C 2.206 178.348 176.300 -0.262 0.000 1.139 80 R CA 2.150 58.215 56.100 -0.059 0.000 0.952 80 R CB -1.555 28.778 30.300 0.055 0.000 0.854 80 R HN 0.403 nan 8.270 nan 0.000 0.436 81 G N 0.423 108.911 108.800 -0.520 0.000 2.505 81 G HA2 -0.284 3.676 3.960 -0.000 0.000 0.220 81 G HA3 -0.284 3.676 3.960 -0.000 0.000 0.220 81 G C 1.591 176.216 174.900 -0.459 0.000 1.145 81 G CA 1.377 45.887 45.100 -0.982 0.000 0.761 81 G HN 0.401 nan 8.290 nan 0.000 0.571 82 I N -0.166 120.260 120.570 -0.240 0.000 2.163 82 I HA -0.087 4.083 4.170 -0.000 0.000 0.240 82 I C 2.773 178.843 176.117 -0.077 0.000 1.081 82 I CA 1.082 62.304 61.300 -0.129 0.000 1.353 82 I CB -0.202 37.744 38.000 -0.090 0.000 1.054 82 I HN 0.087 nan 8.210 nan 0.000 0.407 83 E N 1.191 121.353 120.200 -0.062 0.000 2.049 83 E HA -0.271 4.079 4.350 -0.000 0.000 0.198 83 E C 1.725 178.335 176.600 0.016 0.000 1.007 83 E CA 1.827 58.221 56.400 -0.010 0.000 0.809 83 E CB -0.269 29.430 29.700 -0.002 0.000 0.749 83 E HN 0.404 nan 8.360 nan 0.000 0.450 84 D N 0.160 120.561 120.400 0.001 0.000 2.158 84 D HA -0.174 4.466 4.640 -0.000 0.000 0.197 84 D C 1.918 178.261 176.300 0.071 0.000 0.995 84 D CA 0.746 54.778 54.000 0.053 0.000 0.846 84 D CB -0.128 40.738 40.800 0.109 0.000 0.941 84 D HN 0.248 nan 8.370 nan 0.000 0.456 85 I N 0.818 121.426 120.570 0.063 0.000 2.333 85 I HA -0.064 4.106 4.170 -0.000 0.000 0.246 85 I C 2.470 178.711 176.117 0.207 0.000 1.106 85 I CA 0.427 61.810 61.300 0.139 0.000 1.411 85 I CB -1.378 36.689 38.000 0.111 0.000 1.082 85 I HN -0.125 nan 8.210 nan 0.000 0.420 86 A N 0.131 123.029 122.820 0.131 0.000 1.908 86 A HA -0.148 4.172 4.320 -0.000 0.000 0.218 86 A C 1.866 179.607 177.584 0.262 0.000 1.181 86 A CA 1.599 53.748 52.037 0.188 0.000 0.627 86 A CB -1.025 18.041 19.000 0.109 0.000 0.818 86 A HN 0.390 nan 8.150 nan 0.000 0.445 90 K N -0.391 120.091 120.400 0.135 0.000 3.077 90 K HA -0.220 4.100 4.320 -0.000 0.000 0.264 90 K C -1.332 175.231 176.600 -0.063 0.000 1.008 90 K CA 0.917 57.214 56.287 0.017 0.000 0.740 90 K CB -1.839 30.631 32.500 -0.050 0.000 1.273 90 K HN 0.538 nan 8.250 nan 0.000 0.477 91 Y N -0.075 120.268 120.300 0.071 0.000 2.429 91 Y HA 0.364 4.914 4.550 -0.000 0.000 0.342 91 Y C 0.892 176.815 175.900 0.038 0.000 1.004 91 Y CA -0.823 57.311 58.100 0.056 0.000 1.075 91 Y CB 1.666 40.167 38.460 0.067 0.000 1.214 91 Y HN 0.030 nan 8.280 nan 0.000 0.455 92 N N 2.565 121.382 118.700 0.195 0.000 2.466 92 N HA 0.666 5.406 4.740 -0.000 0.000 0.294 92 N C -1.263 174.323 175.510 0.127 0.000 1.129 92 N CA -0.701 52.420 53.050 0.117 0.000 0.931 92 N CB 1.416 39.944 38.487 0.068 0.000 1.193 92 N HN 0.554 nan 8.380 nan 0.000 0.500 93 I N -1.942 118.674 120.570 0.077 0.000 2.846 93 I HA 0.607 4.776 4.170 -0.000 0.000 0.307 93 I C -1.103 175.032 176.117 0.030 0.000 1.053 93 I CA -0.894 60.437 61.300 0.050 0.000 1.050 93 I CB 1.849 39.865 38.000 0.026 0.000 1.239 93 I HN 0.319 nan 8.210 nan 0.000 0.439 94 I N 4.637 125.218 120.570 0.018 0.000 2.389 94 I HA 0.376 4.545 4.170 -0.000 0.000 0.288 94 I C -0.969 175.148 176.117 -0.001 0.000 0.999 94 I CA -0.659 60.647 61.300 0.009 0.000 1.129 94 I CB 1.948 39.953 38.000 0.007 0.000 1.288 94 I HN 0.466 nan 8.210 nan 0.000 0.444 95 L N 6.013 127.235 121.223 -0.002 0.000 2.322 95 L HA 0.630 4.970 4.340 -0.000 0.000 0.279 95 L C -0.329 176.535 176.870 -0.010 0.000 1.036 95 L CA 0.316 55.149 54.840 -0.011 0.000 0.807 95 L CB 1.769 43.822 42.059 -0.009 0.000 1.226 95 L HN 0.562 nan 8.230 nan 0.000 0.433 96 S N 3.496 119.184 115.700 -0.019 0.000 2.543 96 S HA 0.523 4.993 4.470 -0.000 0.000 0.271 96 S C -1.373 173.209 174.600 -0.032 0.000 1.148 96 S CA -0.826 57.367 58.200 -0.012 0.000 0.914 96 S CB 0.891 64.091 63.200 -0.001 0.000 1.096 96 S HN 0.753 nan 8.310 nan 0.000 0.471 97 N N 2.014 120.699 118.700 -0.025 0.000 2.426 97 N HA 0.208 4.948 4.740 -0.000 0.000 0.275 97 N C 0.729 176.220 175.510 -0.031 0.000 1.019 97 N CA -0.119 52.902 53.050 -0.048 0.000 0.941 97 N CB 1.792 40.261 38.487 -0.029 0.000 1.123 97 N HN 0.655 nan 8.380 nan 0.000 0.486 98 S N 0.913 116.579 115.700 -0.057 0.000 2.502 98 S HA 0.009 4.478 4.470 -0.000 0.000 0.228 98 S C 0.294 174.884 174.600 -0.017 0.000 1.061 98 S CA 0.238 58.427 58.200 -0.018 0.000 0.935 98 S CB 0.320 63.513 63.200 -0.012 0.000 0.809 98 S HN 0.610 nan 8.310 nan 0.000 0.510 99 D N 1.519 121.888 120.400 -0.051 0.000 2.947 99 D HA -0.133 4.507 4.640 -0.000 0.000 0.224 99 D C -0.235 176.066 176.300 0.001 0.000 1.132 99 D CA 0.965 54.954 54.000 -0.019 0.000 0.801 99 D CB -1.556 39.248 40.800 0.007 0.000 1.097 99 D HN 0.575 nan 8.370 nan 0.000 0.431 100 Q N -1.978 117.809 119.800 -0.021 0.000 2.348 100 Q HA -0.253 4.086 4.340 -0.000 0.000 0.221 100 Q C 0.270 176.308 176.000 0.063 0.000 0.735 100 Q CA 1.487 57.301 55.803 0.019 0.000 1.351 100 Q CB -1.857 26.904 28.738 0.038 0.000 1.640 100 Q HN 0.766 nan 8.270 nan 0.000 0.667 101 N N 0.964 119.699 118.700 0.058 0.000 2.419 101 N HA 0.054 4.794 4.740 -0.000 0.000 0.264 101 N C 1.165 176.735 175.510 0.101 0.000 1.031 101 N CA -0.022 53.068 53.050 0.067 0.000 0.951 101 N CB 1.000 39.513 38.487 0.043 0.000 1.101 101 N HN -0.062 nan 8.380 nan 0.000 0.488 102 Q N 3.416 123.286 119.800 0.117 0.000 2.182 102 Q HA -0.248 4.092 4.340 -0.000 0.000 0.213 102 Q C 0.522 176.600 176.000 0.130 0.000 1.000 102 Q CA 2.230 58.125 55.803 0.154 0.000 0.889 102 Q CB -0.643 28.140 28.738 0.075 0.000 0.932 102 Q HN 0.716 nan 8.270 nan 0.000 0.415 103 D N 0.879 121.328 120.400 0.081 0.000 2.085 103 D HA -0.078 4.562 4.640 -0.000 0.000 0.199 103 D C 1.915 178.270 176.300 0.091 0.000 0.981 103 D CA 1.333 55.374 54.000 0.068 0.000 0.834 103 D CB -0.155 40.665 40.800 0.033 0.000 0.992 103 D HN 0.237 nan 8.370 nan 0.000 0.457 104 K N 0.745 121.195 120.400 0.083 0.000 2.089 104 K HA -0.234 4.086 4.320 -0.000 0.000 0.210 104 K C 2.043 178.714 176.600 0.118 0.000 1.048 104 K CA 1.404 57.757 56.287 0.110 0.000 0.926 104 K CB -0.200 32.345 32.500 0.074 0.000 0.714 104 K HN 0.269 nan 8.250 nan 0.000 0.448 105 E N 0.502 120.766 120.200 0.106 0.000 2.097 105 E HA -0.223 4.127 4.350 -0.000 0.000 0.196 105 E C 1.989 178.593 176.600 0.006 0.000 1.000 105 E CA 1.271 57.727 56.400 0.094 0.000 0.804 105 E CB -0.113 29.666 29.700 0.131 0.000 0.740 105 E HN 0.145 nan 8.360 nan 0.000 0.454 106 L N -0.270 120.972 121.223 0.032 0.000 2.068 106 L HA -0.115 4.225 4.340 -0.000 0.000 0.204 106 L C 2.343 179.229 176.870 0.027 0.000 1.076 106 L CA 1.526 56.367 54.840 0.003 0.000 0.753 106 L CB -0.751 41.329 42.059 0.034 0.000 0.910 106 L HN 0.150 nan 8.230 nan 0.000 0.439 107 H N 0.184 119.248 119.070 -0.010 0.000 2.257 107 H HA -0.215 4.340 4.556 -0.000 0.000 0.292 107 H C 2.139 177.458 175.328 -0.016 0.000 1.075 107 H CA 2.254 58.296 56.048 -0.010 0.000 1.212 107 H CB -0.466 29.294 29.762 -0.002 0.000 1.354 107 H HN 0.124 nan 8.280 nan 0.000 0.497 108 L N -0.517 120.671 121.223 -0.058 0.000 2.010 108 L HA -0.245 4.095 4.340 -0.000 0.000 0.219 108 L C 2.678 179.473 176.870 -0.125 0.000 1.077 108 L CA 1.555 56.333 54.840 -0.104 0.000 0.773 108 L CB -0.824 41.236 42.059 0.003 0.000 0.892 108 L HN 0.360 nan 8.230 nan 0.000 0.436 109 L N -0.112 121.051 121.223 -0.100 0.000 2.187 109 L HA -0.183 4.157 4.340 -0.000 0.000 0.213 109 L C 2.121 178.918 176.870 -0.122 0.000 1.100 109 L CA 1.744 56.513 54.840 -0.118 0.000 0.765 109 L CB -0.856 41.104 42.059 -0.166 0.000 0.904 109 L HN 0.264 nan 8.230 nan 0.000 0.437 110 N N -0.192 118.421 118.700 -0.145 0.000 2.182 110 N HA -0.100 4.639 4.740 -0.000 0.000 0.186 110 N C 0.838 176.249 175.510 -0.165 0.000 1.036 110 N CA 0.555 53.521 53.050 -0.140 0.000 0.850 110 N CB -0.600 37.806 38.487 -0.134 0.000 1.010 110 N HN 0.431 nan 8.380 nan 0.000 0.432 114 G N 0.456 109.223 108.800 -0.056 0.000 2.403 114 G HA2 -0.172 3.788 3.960 -0.000 0.000 0.216 114 G HA3 -0.172 3.788 3.960 -0.000 0.000 0.216 114 G C 1.270 176.149 174.900 -0.033 0.000 1.154 114 G CA 0.418 45.491 45.100 -0.045 0.000 0.784 114 G HN -0.083 nan 8.290 nan 0.000 0.538 115 K N 0.614 120.993 120.400 -0.036 0.000 2.591 115 K HA 0.021 4.340 4.320 -0.000 0.000 0.197 115 K C 0.582 177.176 176.600 -0.011 0.000 1.026 115 K CA 0.005 56.279 56.287 -0.022 0.000 1.127 115 K CB -0.173 32.313 32.500 -0.023 0.000 0.871 115 K HN 0.230 nan 8.250 nan 0.000 0.507 116 Q N -1.054 118.739 119.800 -0.012 0.000 2.468 116 Q HA -0.162 4.178 4.340 -0.000 0.000 0.289 116 Q C 0.268 176.274 176.000 0.010 0.000 1.299 116 Q CA 0.810 56.612 55.803 -0.002 0.000 0.838 116 Q CB -2.972 25.767 28.738 0.002 0.000 1.195 116 Q HN 0.311 nan 8.270 nan 0.000 0.456 117 V N -2.679 117.239 119.914 0.006 0.000 3.376 117 V HA 0.162 4.282 4.120 -0.000 0.000 0.303 117 V C 1.242 177.358 176.094 0.037 0.000 1.100 117 V CA 0.257 62.572 62.300 0.024 0.000 1.126 117 V CB 0.746 32.574 31.823 0.008 0.000 1.085 117 V HN 0.085 nan 8.190 nan 0.000 0.480 118 D N 0.511 120.952 120.400 0.069 0.000 2.398 118 D HA 0.399 5.039 4.640 -0.000 0.000 0.210 118 D C 0.570 176.894 176.300 0.039 0.000 1.094 118 D CA 1.283 55.337 54.000 0.090 0.000 0.839 118 D CB 1.091 42.020 40.800 0.216 0.000 0.963 118 D HN 1.028 nan 8.370 nan 0.000 0.506 119 G N 0.102 108.901 108.800 -0.001 0.000 2.387 119 G HA2 0.476 4.435 3.960 -0.000 0.000 0.294 119 G HA3 0.476 4.435 3.960 -0.000 0.000 0.294 119 G C -1.771 173.105 174.900 -0.040 0.000 1.509 119 G CA -0.742 44.337 45.100 -0.036 0.000 0.806 119 G HN -0.004 nan 8.290 nan 0.000 0.546 120 I N 0.472 121.019 120.570 -0.037 0.000 2.582 120 I HA 0.474 4.644 4.170 -0.000 0.000 0.292 120 I C -0.613 175.505 176.117 0.002 0.000 1.066 120 I CA -0.813 60.474 61.300 -0.021 0.000 1.053 120 I CB 2.439 40.424 38.000 -0.025 0.000 1.241 120 I HN 0.275 nan 8.210 nan 0.000 0.421 121 I N 6.006 126.582 120.570 0.011 0.000 2.355 121 I HA 0.359 4.528 4.170 -0.000 0.000 0.288 121 I C -0.700 175.460 176.117 0.072 0.000 0.999 121 I CA -0.364 60.947 61.300 0.020 0.000 1.163 121 I CB 1.380 39.364 38.000 -0.027 0.000 1.316 121 I HN 0.439 nan 8.210 nan 0.000 0.454 125 G N 0.956 109.726 108.800 -0.050 0.000 2.838 125 G HA2 0.191 4.151 3.960 -0.000 0.000 0.210 125 G HA3 0.191 4.151 3.960 -0.000 0.000 0.210 125 G C 0.142 175.060 174.900 0.031 0.000 1.153 125 G CA 0.148 45.252 45.100 0.007 0.000 0.778 125 G HN 0.588 nan 8.290 nan 0.000 0.539 126 N N 0.214 118.958 118.700 0.073 0.000 2.640 126 N HA 0.203 4.943 4.740 -0.000 0.000 0.262 126 N C -0.831 174.805 175.510 0.209 0.000 1.174 126 N CA -0.430 52.678 53.050 0.097 0.000 0.791 126 N CB 1.566 40.095 38.487 0.069 0.000 1.279 126 N HN -0.190 nan 8.380 nan 0.000 0.535 127 V N 3.240 123.294 119.914 0.234 0.000 2.149 127 V HA 0.080 4.200 4.120 -0.000 0.000 0.245 127 V C 1.041 177.274 176.094 0.232 0.000 1.349 127 V CA -0.285 62.291 62.300 0.460 0.000 1.289 127 V CB -1.272 30.747 31.823 0.327 0.000 1.401 127 V HN 0.762 nan 8.190 nan 0.000 0.501 128 T N 0.672 115.182 114.554 -0.073 0.000 2.769 128 T HA -0.122 4.227 4.350 -0.000 0.000 0.353 128 T C 1.285 175.904 174.700 -0.135 0.000 1.081 128 T CA 0.707 62.653 62.100 -0.257 0.000 1.118 128 T CB 0.517 69.051 68.868 -0.557 0.000 1.042 128 T HN 0.766 nan 8.240 nan 0.000 0.541 129 E N 1.119 121.259 120.200 -0.099 0.000 2.110 129 E HA -0.171 4.179 4.350 -0.000 0.000 0.193 129 E C 2.046 178.615 176.600 -0.052 0.000 0.988 129 E CA 1.137 57.507 56.400 -0.050 0.000 0.804 129 E CB -0.132 29.541 29.700 -0.044 0.000 0.745 129 E HN 0.716 nan 8.360 nan 0.000 0.458 130 E N 1.234 121.375 120.200 -0.098 0.000 2.058 130 E HA -0.209 4.141 4.350 -0.000 0.000 0.194 130 E C 2.015 178.605 176.600 -0.016 0.000 0.997 130 E CA 1.287 57.643 56.400 -0.072 0.000 0.801 130 E CB -0.533 29.107 29.700 -0.100 0.000 0.746 130 E HN 0.599 nan 8.360 nan 0.000 0.450 131 H N 0.164 119.202 119.070 -0.053 0.000 2.357 131 H HA -0.119 4.437 4.556 -0.000 0.000 0.296 131 H C 2.264 177.522 175.328 -0.117 0.000 1.108 131 H CA 1.313 57.296 56.048 -0.109 0.000 1.273 131 H CB 0.155 29.875 29.762 -0.071 0.000 1.367 131 H HN -0.035 nan 8.280 nan 0.000 0.498 132 V N 0.792 120.747 119.914 0.069 0.000 2.427 132 V HA -0.192 3.928 4.120 -0.000 0.000 0.248 132 V C 1.995 178.080 176.094 -0.015 0.000 1.051 132 V CA 1.714 64.022 62.300 0.013 0.000 1.048 132 V CB -0.356 31.478 31.823 0.019 0.000 0.666 132 V HN 0.431 nan 8.190 nan 0.000 0.456 133 E N -0.137 120.055 120.200 -0.013 0.000 2.058 133 E HA -0.266 4.084 4.350 -0.000 0.000 0.194 133 E C 2.205 178.785 176.600 -0.034 0.000 0.997 133 E CA 1.591 57.977 56.400 -0.023 0.000 0.801 133 E CB -0.099 29.587 29.700 -0.022 0.000 0.746 133 E HN 0.531 nan 8.360 nan 0.000 0.450 134 E N 0.642 120.821 120.200 -0.034 0.000 2.000 134 E HA -0.177 4.172 4.350 -0.000 0.000 0.199 134 E C 1.851 178.395 176.600 -0.094 0.000 1.011 134 E CA 0.925 57.291 56.400 -0.057 0.000 0.836 134 E CB -0.365 29.305 29.700 -0.050 0.000 0.778 134 E HN 0.036 nan 8.360 nan 0.000 0.462 135 L N 1.158 122.300 121.223 -0.136 0.000 2.197 135 L HA -0.206 4.134 4.340 -0.000 0.000 0.215 135 L C 2.124 178.928 176.870 -0.111 0.000 1.095 135 L CA 2.051 56.791 54.840 -0.167 0.000 0.764 135 L CB -0.864 41.065 42.059 -0.217 0.000 0.897 135 L HN 0.304 nan 8.230 nan 0.000 0.436 136 K N -1.272 119.080 120.400 -0.080 0.000 2.459 136 K HA -0.129 4.191 4.320 -0.000 0.000 0.193 136 K C 1.952 178.514 176.600 -0.063 0.000 1.030 136 K CA 0.764 57.011 56.287 -0.067 0.000 1.026 136 K CB 0.041 32.512 32.500 -0.049 0.000 0.809 136 K HN 0.001 nan 8.250 nan 0.000 0.504 137 K N 1.512 121.873 120.400 -0.064 0.000 2.323 137 K HA 0.080 4.400 4.320 -0.000 0.000 0.197 137 K C 0.377 176.942 176.600 -0.059 0.000 1.043 137 K CA 0.067 56.321 56.287 -0.055 0.000 0.997 137 K CB 0.285 32.755 32.500 -0.049 0.000 0.807 137 K HN 0.218 nan 8.250 nan 0.000 0.497 138 S N 1.159 116.816 115.700 -0.073 0.000 2.550 138 S HA 0.000 4.470 4.470 -0.000 0.000 0.285 138 S C -1.561 173.002 174.600 -0.061 0.000 1.326 138 S CA -0.671 57.486 58.200 -0.072 0.000 1.037 138 S CB 0.427 63.575 63.200 -0.087 0.000 0.838 138 S HN 0.246 nan 8.310 nan 0.000 0.519 139 P HA 0.211 nan 4.420 nan 0.000 0.262 139 P C -0.212 177.064 177.300 -0.040 0.000 1.304 139 P CA 0.019 63.094 63.100 -0.041 0.000 0.859 139 P CB -0.186 31.495 31.700 -0.031 0.000 1.310 140 V N -4.534 115.350 119.914 -0.050 0.000 3.114 140 V HA 0.684 4.803 4.120 -0.000 0.000 0.308 140 V C -3.205 172.843 176.094 -0.076 0.000 1.168 140 V CA -3.171 59.101 62.300 -0.047 0.000 1.015 140 V CB 1.322 33.130 31.823 -0.026 0.000 1.050 140 V HN -0.338 nan 8.190 nan 0.000 0.433 141 P HA 0.263 nan 4.420 nan 0.000 0.266 141 P C -0.901 176.335 177.300 -0.106 0.000 1.186 141 P CA 0.287 63.300 63.100 -0.145 0.000 0.767 141 P CB 0.483 32.142 31.700 -0.069 0.000 0.820 142 V N 3.445 123.278 119.914 -0.134 0.000 2.733 142 V HA 0.487 4.607 4.120 -0.000 0.000 0.306 142 V C -0.416 175.662 176.094 -0.026 0.000 1.084 142 V CA -0.609 61.652 62.300 -0.065 0.000 0.905 142 V CB 2.383 34.159 31.823 -0.078 0.000 1.010 142 V HN 0.439 nan 8.190 nan 0.000 0.424 143 V N 5.883 125.818 119.914 0.034 0.000 2.841 143 V HA 0.690 4.810 4.120 -0.000 0.000 0.310 143 V C -1.562 174.579 176.094 0.078 0.000 1.090 143 V CA -0.598 61.745 62.300 0.072 0.000 0.930 143 V CB 2.179 34.067 31.823 0.108 0.000 1.014 143 V HN 0.626 nan 8.190 nan 0.000 0.425 144 L N 4.843 126.116 121.223 0.083 0.000 2.343 144 L HA 0.870 5.210 4.340 -0.000 0.000 0.275 144 L C 0.402 177.294 176.870 0.037 0.000 1.056 144 L CA -0.274 54.606 54.840 0.067 0.000 0.804 144 L CB 1.082 43.191 42.059 0.084 0.000 1.203 144 L HN 0.992 nan 8.230 nan 0.000 0.440 145 A N 2.190 125.007 122.820 -0.005 0.000 2.335 145 A HA 0.666 4.986 4.320 -0.000 0.000 0.304 145 A C 0.634 178.214 177.584 -0.005 0.000 1.118 145 A CA -0.035 52.003 52.037 0.001 0.000 0.757 145 A CB 1.204 20.188 19.000 -0.026 0.000 1.188 145 A HN 1.297 nan 8.150 nan 0.000 0.460 146 A N 1.905 124.765 122.820 0.065 0.000 2.715 146 A HA -0.076 4.243 4.320 -0.000 0.000 0.301 146 A C 0.540 178.129 177.584 0.008 0.000 1.515 146 A CA 1.375 53.483 52.037 0.118 0.000 0.816 146 A CB -2.285 16.771 19.000 0.092 0.000 1.004 146 A HN 1.434 nan 8.150 nan 0.000 0.483 147 S N -1.110 114.586 115.700 -0.007 0.000 2.482 147 S HA 0.602 5.071 4.470 -0.000 0.000 0.303 147 S C 0.020 174.608 174.600 -0.020 0.000 1.091 147 S CA -0.518 57.646 58.200 -0.060 0.000 1.057 147 S CB 1.457 64.595 63.200 -0.103 0.000 1.031 147 S HN 0.635 nan 8.310 nan 0.000 0.485 148 I N 3.478 124.021 120.570 -0.046 0.000 2.573 148 I HA 0.061 4.231 4.170 -0.000 0.000 0.295 148 I C 0.202 176.342 176.117 0.039 0.000 1.141 148 I CA 0.450 61.736 61.300 -0.024 0.000 1.364 148 I CB -0.331 37.640 38.000 -0.049 0.000 1.447 148 I HN 0.543 nan 8.210 nan 0.000 0.571 149 E N 4.405 124.637 120.200 0.052 0.000 2.195 149 E HA 0.433 4.783 4.350 -0.000 0.000 0.271 149 E C 0.384 177.018 176.600 0.057 0.000 0.923 149 E CA -0.313 56.129 56.400 0.069 0.000 0.790 149 E CB 1.391 31.138 29.700 0.077 0.000 1.155 149 E HN 0.502 nan 8.360 nan 0.000 0.402 150 S N 1.957 117.688 115.700 0.051 0.000 2.432 150 S HA -0.080 4.389 4.470 -0.000 0.000 0.203 150 S C 1.702 176.324 174.600 0.037 0.000 0.987 150 S CA 0.724 58.948 58.200 0.040 0.000 0.908 150 S CB -1.041 62.178 63.200 0.030 0.000 0.883 150 S HN 0.664 nan 8.310 nan 0.000 0.577 151 T N 0.932 115.505 114.554 0.032 0.000 3.155 151 T HA 0.038 4.388 4.350 -0.000 0.000 0.264 151 T C 0.391 175.109 174.700 0.031 0.000 1.160 151 T CA 0.629 62.745 62.100 0.027 0.000 1.075 151 T CB -1.480 67.400 68.868 0.019 0.000 0.921 151 T HN 0.548 nan 8.240 nan 0.000 0.533 152 N N 0.990 119.714 118.700 0.040 0.000 2.708 152 N HA -0.264 4.476 4.740 -0.000 0.000 0.251 152 N C 0.639 176.171 175.510 0.036 0.000 1.017 152 N CA 0.760 53.837 53.050 0.045 0.000 0.742 152 N CB -0.706 37.809 38.487 0.046 0.000 0.943 152 N HN 0.694 nan 8.380 nan 0.000 0.539 153 Q N 0.031 119.848 119.800 0.028 0.000 2.259 153 Q HA 0.161 4.501 4.340 -0.000 0.000 0.201 153 Q C 0.331 176.335 176.000 0.006 0.000 0.938 153 Q CA 0.311 56.123 55.803 0.015 0.000 0.872 153 Q CB 0.421 29.164 28.738 0.008 0.000 0.971 153 Q HN 0.457 nan 8.270 nan 0.000 0.494 154 I N 1.917 122.495 120.570 0.013 0.000 2.377 154 I HA 0.365 4.535 4.170 -0.000 0.000 0.293 154 I C -2.503 173.634 176.117 0.033 0.000 0.987 154 I CA -2.985 58.315 61.300 0.000 0.000 1.185 154 I CB 1.461 39.459 38.000 -0.003 0.000 1.341 154 I HN -0.060 nan 8.210 nan 0.000 0.455 155 P HA 0.060 nan 4.420 nan 0.000 0.261 155 P C -1.179 176.181 177.300 0.100 0.000 1.165 155 P CA 0.313 63.477 63.100 0.106 0.000 0.759 155 P CB 0.222 32.047 31.700 0.208 0.000 0.772 156 S N 1.560 117.319 115.700 0.099 0.000 2.667 156 S HA 0.799 5.269 4.470 -0.000 0.000 0.292 156 S C -1.033 173.620 174.600 0.088 0.000 1.126 156 S CA -0.767 57.487 58.200 0.090 0.000 0.881 156 S CB 1.395 64.648 63.200 0.089 0.000 1.132 156 S HN 0.106 nan 8.310 nan 0.000 0.492 157 V N 0.788 120.754 119.914 0.085 0.000 2.668 157 V HA 0.879 4.999 4.120 -0.000 0.000 0.304 157 V C -0.124 176.039 176.094 0.115 0.000 1.071 157 V CA -0.030 62.321 62.300 0.085 0.000 0.894 157 V CB 1.097 32.958 31.823 0.064 0.000 1.008 157 V HN 1.273 nan 8.190 nan 0.000 0.425 158 T N 3.943 118.578 114.554 0.134 0.000 2.661 158 T HA 0.599 4.949 4.350 -0.000 0.000 0.303 158 T C -2.056 172.729 174.700 0.142 0.000 1.658 158 T CA -0.039 62.176 62.100 0.191 0.000 0.974 158 T CB 1.343 70.398 68.868 0.312 0.000 1.857 158 T HN 0.993 nan 8.240 nan 0.000 0.475 159 I N -0.034 120.588 120.570 0.085 0.000 2.646 159 I HA 0.724 4.893 4.170 -0.000 0.000 0.299 159 I C -0.709 175.362 176.117 -0.076 0.000 1.036 159 I CA -0.807 60.483 61.300 -0.017 0.000 1.074 159 I CB 1.952 39.888 38.000 -0.106 0.000 1.258 159 I HN 0.471 nan 8.210 nan 0.000 0.430 160 D N 4.260 124.678 120.400 0.029 0.000 2.482 160 D HA 0.039 4.679 4.640 -0.000 0.000 0.244 160 D C 0.591 176.899 176.300 0.012 0.000 1.242 160 D CA 0.378 54.423 54.000 0.075 0.000 1.097 160 D CB -0.179 40.684 40.800 0.105 0.000 1.109 160 D HN 0.516 nan 8.370 nan 0.000 0.510 161 Y N 0.844 121.209 120.300 0.108 0.000 2.639 161 Y HA -0.138 4.412 4.550 -0.000 0.000 0.289 161 Y C 2.178 178.145 175.900 0.112 0.000 1.155 161 Y CA 0.619 58.813 58.100 0.157 0.000 1.379 161 Y CB -0.060 38.449 38.460 0.082 0.000 0.967 161 Y HN 0.401 nan 8.280 nan 0.000 0.569 162 E N -0.060 120.261 120.200 0.202 0.000 2.045 162 E HA -0.116 4.234 4.350 -0.000 0.000 0.190 162 E C 1.982 178.662 176.600 0.133 0.000 0.968 162 E CA 0.598 57.082 56.400 0.140 0.000 0.813 162 E CB 0.058 29.821 29.700 0.105 0.000 0.780 162 E HN 0.364 nan 8.360 nan 0.000 0.455 163 Q N 0.588 120.451 119.800 0.105 0.000 2.002 163 Q HA -0.118 4.222 4.340 -0.000 0.000 0.204 163 Q C 2.135 178.196 176.000 0.102 0.000 0.988 163 Q CA 1.632 57.533 55.803 0.163 0.000 0.843 163 Q CB -0.749 28.116 28.738 0.212 0.000 0.908 163 Q HN 0.306 nan 8.270 nan 0.000 0.420 164 A N 0.908 123.557 122.820 -0.283 0.000 2.042 164 A HA -0.213 4.107 4.320 -0.000 0.000 0.222 164 A C 2.222 179.920 177.584 0.190 0.000 1.167 164 A CA 2.117 53.947 52.037 -0.346 0.000 0.649 164 A CB -0.594 18.072 19.000 -0.558 0.000 0.809 164 A HN 0.421 nan 8.150 nan 0.000 0.457 165 A N -1.129 121.855 122.820 0.273 0.000 1.840 165 A HA 0.094 4.413 4.320 -0.000 0.000 0.214 165 A C 2.041 179.715 177.584 0.149 0.000 1.198 165 A CA 1.281 53.481 52.037 0.273 0.000 0.608 165 A CB -0.797 18.294 19.000 0.152 0.000 0.839 165 A HN 0.672 nan 8.150 nan 0.000 0.443 166 F N 1.272 121.231 119.950 0.015 0.000 2.025 166 F HA -0.302 4.224 4.527 -0.000 0.000 0.297 166 F C 2.009 177.836 175.800 0.045 0.000 1.132 166 F CA 2.354 60.355 58.000 0.001 0.000 1.191 166 F CB -0.233 38.776 39.000 0.015 0.000 0.963 166 F HN 0.255 nan 8.300 nan 0.000 0.481 167 D N 0.763 121.163 120.400 0.001 0.000 2.133 167 D HA -0.277 4.362 4.640 -0.000 0.000 0.192 167 D C 2.280 178.552 176.300 -0.047 0.000 1.001 167 D CA 1.679 55.635 54.000 -0.073 0.000 0.844 167 D CB -0.898 40.001 40.800 0.164 0.000 0.944 167 D HN 0.447 nan 8.370 nan 0.000 0.447 168 A N 0.612 123.474 122.820 0.070 0.000 1.851 168 A HA -0.164 4.156 4.320 -0.000 0.000 0.216 168 A C 2.472 180.129 177.584 0.122 0.000 1.195 168 A CA 2.099 54.233 52.037 0.162 0.000 0.622 168 A CB -1.144 18.157 19.000 0.502 0.000 0.831 168 A HN 0.199 nan 8.150 nan 0.000 0.444 169 V N -0.320 119.600 119.914 0.010 0.000 2.255 169 V HA -0.301 3.819 4.120 -0.000 0.000 0.247 169 V C 2.407 178.454 176.094 -0.078 0.000 1.051 169 V CA 2.842 65.111 62.300 -0.051 0.000 1.018 169 V CB -0.792 30.935 31.823 -0.161 0.000 0.641 169 V HN 0.626 nan 8.190 nan 0.000 0.445 170 Q N 0.300 119.953 119.800 -0.245 0.000 2.103 170 Q HA -0.295 4.045 4.340 -0.000 0.000 0.213 170 Q C 2.530 178.479 176.000 -0.084 0.000 1.008 170 Q CA 2.605 58.241 55.803 -0.277 0.000 0.879 170 Q CB -1.226 27.178 28.738 -0.557 0.000 0.946 170 Q HN 0.776 nan 8.270 nan 0.000 0.413 171 S N 0.065 115.757 115.700 -0.014 0.000 2.393 171 S HA -0.209 4.261 4.470 -0.000 0.000 0.234 171 S C 1.993 176.659 174.600 0.109 0.000 1.064 171 S CA 1.576 59.842 58.200 0.109 0.000 1.088 171 S CB -0.274 63.075 63.200 0.248 0.000 0.939 171 S HN 0.397 nan 8.310 nan 0.000 0.448 172 L N 0.357 121.639 121.223 0.098 0.000 2.093 172 L HA -0.028 4.312 4.340 -0.000 0.000 0.208 172 L C 2.359 179.310 176.870 0.135 0.000 1.085 172 L CA 1.129 56.036 54.840 0.111 0.000 0.755 172 L CB -0.399 41.702 42.059 0.071 0.000 0.904 172 L HN 0.404 nan 8.230 nan 0.000 0.435 173 I N -0.168 120.445 120.570 0.072 0.000 2.202 173 I HA -0.284 3.886 4.170 -0.000 0.000 0.242 173 I C 1.809 177.959 176.117 0.056 0.000 1.091 173 I CA 1.210 62.546 61.300 0.061 0.000 1.368 173 I CB -0.382 37.624 38.000 0.010 0.000 1.058 173 I HN 0.221 nan 8.210 nan 0.000 0.410 174 D N 0.382 120.804 120.400 0.036 0.000 2.311 174 D HA -0.141 4.499 4.640 -0.000 0.000 0.212 174 D C 2.065 178.386 176.300 0.034 0.000 0.972 174 D CA 1.019 55.034 54.000 0.025 0.000 0.887 174 D CB -0.082 40.725 40.800 0.012 0.000 0.915 174 D HN 0.129 nan 8.370 nan 0.000 0.497 175 S N -1.475 114.270 115.700 0.074 0.000 2.535 175 S HA 0.342 4.812 4.470 -0.000 0.000 0.214 175 S C 1.162 175.770 174.600 0.012 0.000 0.980 175 S CA 0.436 58.677 58.200 0.069 0.000 0.907 175 S CB 0.932 64.217 63.200 0.141 0.000 0.790 175 S HN 0.395 nan 8.310 nan 0.000 0.510 176 G N 1.970 110.775 108.800 0.010 0.000 2.455 176 G HA2 -0.112 3.848 3.960 -0.000 0.000 0.169 176 G HA3 -0.112 3.848 3.960 -0.000 0.000 0.169 176 G C -0.598 174.200 174.900 -0.170 0.000 1.074 176 G CA -0.716 44.332 45.100 -0.086 0.000 0.796 176 G HN 0.476 nan 8.290 nan 0.000 0.489 177 H N -0.531 118.559 119.070 0.033 0.000 2.589 177 H HA 0.440 4.996 4.556 -0.000 0.000 0.335 177 H C 0.745 176.104 175.328 0.050 0.000 1.019 177 H CA -0.356 55.720 56.048 0.046 0.000 1.213 177 H CB 2.324 32.120 29.762 0.057 0.000 1.472 177 H HN 0.261 nan 8.280 nan 0.000 0.508 178 K N 2.160 122.659 120.400 0.166 0.000 2.313 178 K HA 0.076 4.396 4.320 -0.000 0.000 0.197 178 K C -0.180 176.525 176.600 0.175 0.000 1.061 178 K CA 0.372 56.735 56.287 0.126 0.000 0.980 178 K CB 0.585 33.132 32.500 0.079 0.000 0.888 178 K HN 0.282 nan 8.250 nan 0.000 0.502 179 N N 1.678 120.512 118.700 0.223 0.000 3.194 179 N HA 0.214 4.954 4.740 -0.000 0.000 0.271 179 N C -1.232 174.405 175.510 0.212 0.000 1.308 179 N CA -0.297 52.925 53.050 0.288 0.000 1.042 179 N CB 0.539 39.185 38.487 0.266 0.000 1.310 179 N HN 0.242 nan 8.380 nan 0.000 0.502 180 I N -1.382 119.319 120.570 0.217 0.000 2.328 180 I HA 0.763 4.933 4.170 -0.000 0.000 0.287 180 I C 0.234 176.453 176.117 0.170 0.000 1.012 180 I CA -1.085 60.297 61.300 0.136 0.000 1.195 180 I CB 1.195 39.283 38.000 0.147 0.000 1.350 180 I HN 0.061 nan 8.210 nan 0.000 0.464 181 A N 6.493 129.281 122.820 -0.054 0.000 2.249 181 A HA 0.718 5.038 4.320 -0.000 0.000 0.281 181 A C -0.889 176.760 177.584 0.108 0.000 1.127 181 A CA -0.365 51.602 52.037 -0.117 0.000 0.833 181 A CB 0.735 19.519 19.000 -0.360 0.000 1.140 181 A HN 0.853 nan 8.150 nan 0.000 0.502 182 F N 0.131 119.970 119.950 -0.184 0.000 2.653 182 F HA 0.521 5.048 4.527 -0.000 0.000 0.327 182 F C -1.090 174.613 175.800 -0.161 0.000 1.195 182 F CA -0.675 57.153 58.000 -0.288 0.000 0.993 182 F CB 1.278 39.668 39.000 -1.016 0.000 1.259 182 F HN 0.395 nan 8.300 nan 0.000 0.478 183 V N 4.883 124.415 119.914 -0.636 0.000 2.716 183 V HA 0.813 4.933 4.120 -0.000 0.000 0.304 183 V C -0.177 175.293 176.094 -1.040 0.000 1.053 183 V CA 0.128 62.039 62.300 -0.649 0.000 0.984 183 V CB 1.609 33.238 31.823 -0.324 0.000 1.021 183 V HN 0.919 nan 8.190 nan 0.000 0.467 184 S N 1.880 117.159 115.700 -0.701 0.000 2.703 184 S HA 0.791 5.261 4.470 -0.000 0.000 0.273 184 S C -0.332 174.144 174.600 -0.208 0.000 1.178 184 S CA -0.170 57.749 58.200 -0.468 0.000 0.838 184 S CB 1.323 64.209 63.200 -0.523 0.000 1.178 184 S HN 1.147 nan 8.310 nan 0.000 0.494 185 G N -0.077 108.688 108.800 -0.059 0.000 2.552 185 G HA2 0.524 4.484 3.960 -0.000 0.000 0.318 185 G HA3 0.524 4.484 3.960 -0.000 0.000 0.318 185 G C 0.027 174.780 174.900 -0.244 0.000 1.240 185 G CA -0.157 44.729 45.100 -0.357 0.000 1.002 185 G HN 1.331 nan 8.290 nan 0.000 0.493 186 T N -0.116 114.223 114.554 -0.358 0.000 2.588 186 T HA -0.130 4.220 4.350 -0.000 0.000 0.236 186 T C 1.766 176.458 174.700 -0.012 0.000 1.027 186 T CA 0.357 62.367 62.100 -0.151 0.000 1.167 186 T CB -0.329 68.464 68.868 -0.124 0.000 1.014 186 T HN 0.349 nan 8.240 nan 0.000 0.476 187 L N 3.847 125.091 121.223 0.036 0.000 2.201 187 L HA 0.008 4.348 4.340 -0.000 0.000 0.212 187 L C 2.221 179.227 176.870 0.226 0.000 1.105 187 L CA 1.030 55.969 54.840 0.165 0.000 0.775 187 L CB -0.339 41.818 42.059 0.163 0.000 0.913 187 L HN 0.592 nan 8.230 nan 0.000 0.440 188 E N -0.034 120.218 120.200 0.087 0.000 2.438 188 E HA 0.013 4.363 4.350 -0.000 0.000 0.192 188 E C 0.090 176.704 176.600 0.023 0.000 1.110 188 E CA 0.260 56.671 56.400 0.019 0.000 0.893 188 E CB -0.232 29.468 29.700 0.000 0.000 0.990 188 E HN 0.210 nan 8.360 nan 0.000 0.490 189 E N 0.184 120.427 120.200 0.071 0.000 2.155 189 E HA 0.140 4.490 4.350 -0.000 0.000 0.264 189 E C -1.995 174.656 176.600 0.085 0.000 0.886 189 E CA -2.408 54.037 56.400 0.074 0.000 0.752 189 E CB 1.685 31.446 29.700 0.103 0.000 1.133 189 E HN -0.122 nan 8.360 nan 0.000 0.414 190 P HA -0.252 nan 4.420 nan 0.000 0.216 190 P C 1.559 178.876 177.300 0.028 0.000 1.167 190 P CA 1.298 64.420 63.100 0.037 0.000 0.933 190 P CB -0.005 31.699 31.700 0.006 0.000 0.793 191 I N -1.377 119.167 120.570 -0.042 0.000 2.143 191 I HA -0.330 3.839 4.170 -0.000 0.000 0.245 191 I C 1.688 177.812 176.117 0.012 0.000 1.068 191 I CA 1.958 63.187 61.300 -0.119 0.000 1.326 191 I CB -0.890 36.978 38.000 -0.219 0.000 1.028 191 I HN -0.040 nan 8.210 nan 0.000 0.412 192 N N -0.327 118.425 118.700 0.087 0.000 2.093 192 N HA -0.195 4.545 4.740 -0.000 0.000 0.186 192 N C 1.829 177.434 175.510 0.158 0.000 1.080 192 N CA 1.630 54.772 53.050 0.153 0.000 0.891 192 N CB -0.658 37.935 38.487 0.177 0.000 1.050 192 N HN 0.475 nan 8.380 nan 0.000 0.444 193 H N 0.950 120.067 119.070 0.079 0.000 2.275 193 H HA -0.259 4.297 4.556 -0.000 0.000 0.287 193 H C 2.068 177.423 175.328 0.045 0.000 1.097 193 H CA 2.797 58.883 56.048 0.063 0.000 1.169 193 H CB -0.515 29.275 29.762 0.046 0.000 1.349 193 H HN 0.468 nan 8.280 nan 0.000 0.501 194 A N -0.120 122.821 122.820 0.202 0.000 1.870 194 A HA -0.304 4.016 4.320 -0.000 0.000 0.219 194 A C 2.143 179.778 177.584 0.085 0.000 1.224 194 A CA 2.892 54.998 52.037 0.114 0.000 0.650 194 A CB -0.378 18.664 19.000 0.070 0.000 0.836 194 A HN 0.420 nan 8.150 nan 0.000 0.454 195 K N -1.490 118.958 120.400 0.079 0.000 2.329 195 K HA 0.202 4.522 4.320 -0.000 0.000 0.198 195 K C 2.028 178.677 176.600 0.082 0.000 1.085 195 K CA 0.491 56.833 56.287 0.092 0.000 0.961 195 K CB 0.019 32.607 32.500 0.146 0.000 0.971 195 K HN 0.218 nan 8.250 nan 0.000 0.502 196 K N 0.688 121.130 120.400 0.070 0.000 1.969 196 K HA -0.061 4.259 4.320 -0.000 0.000 0.216 196 K C 1.995 178.527 176.600 -0.113 0.000 1.048 196 K CA 1.559 57.869 56.287 0.038 0.000 0.948 196 K CB -0.644 31.936 32.500 0.134 0.000 0.726 196 K HN -0.078 nan 8.250 nan 0.000 0.442 197 V N 2.482 122.328 119.914 -0.114 0.000 2.407 197 V HA -0.227 3.892 4.120 -0.000 0.000 0.248 197 V C 2.454 178.505 176.094 -0.071 0.000 1.055 197 V CA 1.548 63.733 62.300 -0.192 0.000 1.049 197 V CB -0.431 31.344 31.823 -0.080 0.000 0.662 197 V HN 0.306 nan 8.190 nan 0.000 0.455 198 K N 0.545 120.930 120.400 -0.026 0.000 2.001 198 K HA -0.198 4.122 4.320 -0.000 0.000 0.214 198 K C 2.312 178.901 176.600 -0.019 0.000 1.050 198 K CA 1.917 58.197 56.287 -0.012 0.000 0.934 198 K CB -1.042 31.465 32.500 0.013 0.000 0.718 198 K HN 0.548 nan 8.250 nan 0.000 0.443 199 G N 0.696 109.500 108.800 0.005 0.000 2.491 199 G HA2 -0.333 3.627 3.960 -0.000 0.000 0.218 199 G HA3 -0.333 3.627 3.960 -0.000 0.000 0.218 199 G C 1.509 176.429 174.900 0.033 0.000 1.180 199 G CA 1.305 46.436 45.100 0.052 0.000 0.774 199 G HN 0.474 nan 8.290 nan 0.000 0.562 200 Y N 1.375 121.504 120.300 -0.285 0.000 2.040 200 Y HA -0.260 4.290 4.550 -0.000 0.000 0.275 200 Y C 2.915 178.684 175.900 -0.218 0.000 1.171 200 Y CA 2.560 60.406 58.100 -0.424 0.000 1.123 200 Y CB -0.222 37.768 38.460 -0.783 0.000 0.963 200 Y HN 0.170 nan 8.280 nan 0.000 0.493 201 K N -0.003 120.246 120.400 -0.251 0.000 1.971 201 K HA -0.279 4.041 4.320 -0.000 0.000 0.221 201 K C 2.151 178.632 176.600 -0.198 0.000 1.050 201 K CA 2.427 58.525 56.287 -0.315 0.000 0.967 201 K CB -0.334 32.087 32.500 -0.132 0.000 0.733 201 K HN 0.438 nan 8.250 nan 0.000 0.445 202 R N 0.906 121.345 120.500 -0.102 0.000 2.154 202 R HA -0.176 4.164 4.340 -0.000 0.000 0.248 202 R C 1.946 178.253 176.300 0.011 0.000 1.155 202 R CA 1.752 57.806 56.100 -0.077 0.000 0.979 202 R CB -0.936 29.289 30.300 -0.125 0.000 0.869 202 R HN 0.224 nan 8.270 nan 0.000 0.452 203 A N 1.434 124.326 122.820 0.121 0.000 1.903 203 A HA -0.153 4.167 4.320 -0.000 0.000 0.219 203 A C 2.295 179.920 177.584 0.069 0.000 1.191 203 A CA 1.945 54.145 52.037 0.273 0.000 0.638 203 A CB -0.632 18.425 19.000 0.096 0.000 0.823 203 A HN 0.370 nan 8.150 nan 0.000 0.451 204 L N -0.678 120.488 121.223 -0.096 0.000 2.049 204 L HA -0.118 4.222 4.340 -0.000 0.000 0.203 204 L C 3.021 179.857 176.870 -0.057 0.000 1.074 204 L CA 1.722 56.500 54.840 -0.105 0.000 0.749 204 L CB -1.188 40.743 42.059 -0.213 0.000 0.907 204 L HN 0.624 nan 8.230 nan 0.000 0.439 205 T N -3.186 111.325 114.554 -0.071 0.000 2.849 205 T HA -0.234 4.115 4.350 -0.000 0.000 0.270 205 T C 1.731 176.421 174.700 -0.017 0.000 1.066 205 T CA 1.212 63.284 62.100 -0.047 0.000 1.130 205 T CB -0.308 68.526 68.868 -0.057 0.000 0.864 205 T HN 0.227 nan 8.240 nan 0.000 0.481 206 E N 0.837 121.043 120.200 0.011 0.000 2.274 206 E HA -0.003 4.347 4.350 -0.000 0.000 0.194 206 E C 1.696 178.327 176.600 0.052 0.000 0.996 206 E CA 0.686 57.113 56.400 0.045 0.000 0.840 206 E CB -0.067 29.709 29.700 0.128 0.000 0.772 206 E HN 0.600 nan 8.360 nan 0.000 0.491 207 S N -1.466 114.257 115.700 0.038 0.000 2.523 207 S HA 0.239 4.709 4.470 -0.000 0.000 0.217 207 S C 0.720 175.326 174.600 0.010 0.000 0.996 207 S CA 0.477 58.694 58.200 0.028 0.000 0.921 207 S CB 1.349 64.564 63.200 0.025 0.000 0.829 207 S HN 0.374 nan 8.310 nan 0.000 0.495 208 G N 1.772 110.571 108.800 -0.002 0.000 2.520 208 G HA2 -0.153 3.807 3.960 -0.000 0.000 0.264 208 G HA3 -0.153 3.807 3.960 -0.000 0.000 0.264 208 G C -0.530 174.362 174.900 -0.013 0.000 1.140 208 G CA -0.433 44.662 45.100 -0.009 0.000 1.012 208 G HN 0.341 nan 8.290 nan 0.000 0.511 209 L N -0.226 120.982 121.223 -0.026 0.000 2.613 209 L HA 0.338 4.678 4.340 -0.000 0.000 0.275 209 L C -1.922 174.917 176.870 -0.053 0.000 1.453 209 L CA -1.405 53.418 54.840 -0.027 0.000 0.725 209 L CB 1.233 43.286 42.059 -0.010 0.000 1.013 209 L HN -0.004 nan 8.230 nan 0.000 0.520 210 P HA -0.069 nan 4.420 nan 0.000 0.268 210 P C -0.579 176.671 177.300 -0.084 0.000 1.171 210 P CA 0.429 63.487 63.100 -0.070 0.000 0.761 210 P CB 0.427 32.095 31.700 -0.054 0.000 0.786 211 V N 1.584 121.443 119.914 -0.091 0.000 2.555 211 V HA 0.454 4.574 4.120 -0.000 0.000 0.302 211 V C 0.169 176.222 176.094 -0.068 0.000 1.038 211 V CA -1.242 61.011 62.300 -0.077 0.000 0.887 211 V CB 1.738 33.522 31.823 -0.064 0.000 0.991 211 V HN 0.277 nan 8.190 nan 0.000 0.434 212 R N 1.926 122.311 120.500 -0.192 0.000 2.507 212 R HA 0.055 4.395 4.340 -0.000 0.000 0.341 212 R C 0.989 177.291 176.300 0.004 0.000 0.960 212 R CA 0.262 56.236 56.100 -0.209 0.000 1.032 212 R CB -1.047 28.898 30.300 -0.591 0.000 0.933 212 R HN 0.940 nan 8.270 nan 0.000 0.418 213 D N 1.639 122.056 120.400 0.029 0.000 2.254 213 D HA -0.259 4.380 4.640 -0.000 0.000 0.201 213 D C 1.355 177.727 176.300 0.119 0.000 0.998 213 D CA 2.021 56.069 54.000 0.080 0.000 0.885 213 D CB 0.285 41.113 40.800 0.046 0.000 0.915 213 D HN 0.558 nan 8.370 nan 0.000 0.460 214 S N -1.354 114.415 115.700 0.116 0.000 2.414 214 S HA -0.169 4.301 4.470 -0.000 0.000 0.227 214 S C 1.787 176.544 174.600 0.262 0.000 1.022 214 S CA 0.188 58.477 58.200 0.149 0.000 0.958 214 S CB -0.762 62.512 63.200 0.124 0.000 0.797 214 S HN 0.261 nan 8.310 nan 0.000 0.493 215 Y N 1.983 122.343 120.300 0.099 0.000 2.797 215 Y HA 0.271 4.821 4.550 -0.000 0.000 0.307 215 Y C 0.540 176.534 175.900 0.156 0.000 1.168 215 Y CA -0.758 57.423 58.100 0.135 0.000 1.388 215 Y CB -0.856 37.721 38.460 0.196 0.000 0.985 215 Y HN 0.365 nan 8.280 nan 0.000 0.545 216 I N 0.276 121.003 120.570 0.263 0.000 2.692 216 I HA 0.144 4.314 4.170 -0.000 0.000 0.285 216 I C -0.422 175.724 176.117 0.047 0.000 1.191 216 I CA -0.547 60.871 61.300 0.197 0.000 1.128 216 I CB 0.846 39.000 38.000 0.257 0.000 1.585 216 I HN -0.321 nan 8.210 nan 0.000 0.558 217 V N 4.935 124.824 119.914 -0.042 0.000 2.546 217 V HA 0.435 4.555 4.120 -0.000 0.000 0.284 217 V C 0.067 176.058 176.094 -0.172 0.000 1.050 217 V CA 0.197 62.451 62.300 -0.077 0.000 0.981 217 V CB 1.604 33.384 31.823 -0.072 0.000 0.990 217 V HN 0.814 nan 8.190 nan 0.000 0.474 218 E N 5.469 125.587 120.200 -0.137 0.000 2.412 218 E HA 0.983 5.333 4.350 -0.000 0.000 0.255 218 E C -0.223 176.289 176.600 -0.148 0.000 0.933 218 E CA -0.488 55.807 56.400 -0.174 0.000 0.823 218 E CB 2.068 31.685 29.700 -0.138 0.000 1.352 218 E HN 1.095 nan 8.360 nan 0.000 0.406 219 G N 0.249 108.944 108.800 -0.175 0.000 2.355 219 G HA2 0.237 4.197 3.960 -0.000 0.000 0.296 219 G HA3 0.237 4.197 3.960 -0.000 0.000 0.296 219 G C -1.671 173.093 174.900 -0.226 0.000 1.507 219 G CA -0.412 44.593 45.100 -0.158 0.000 0.823 219 G HN 0.819 nan 8.290 nan 0.000 0.569 220 D N -0.201 120.087 120.400 -0.186 0.000 2.472 220 D HA -0.022 4.618 4.640 -0.000 0.000 0.237 220 D C 0.394 176.609 176.300 -0.142 0.000 1.141 220 D CA -0.079 53.788 54.000 -0.222 0.000 0.875 220 D CB 0.815 41.555 40.800 -0.099 0.000 1.192 220 D HN 0.354 nan 8.370 nan 0.000 0.450 221 Y N 0.625 120.911 120.300 -0.022 0.000 2.821 221 Y HA -0.118 4.432 4.550 -0.000 0.000 0.300 221 Y C 1.745 177.633 175.900 -0.019 0.000 1.162 221 Y CA 0.593 58.674 58.100 -0.031 0.000 1.424 221 Y CB -1.370 37.078 38.460 -0.021 0.000 0.972 221 Y HN 0.413 nan 8.280 nan 0.000 0.561 222 T N -4.620 110.004 114.554 0.116 0.000 2.770 222 T HA -0.003 4.347 4.350 -0.000 0.000 0.281 222 T C 0.885 175.649 174.700 0.108 0.000 0.981 222 T CA -0.525 61.638 62.100 0.105 0.000 0.955 222 T CB 0.446 69.367 68.868 0.087 0.000 1.060 222 T HN 0.261 nan 8.240 nan 0.000 0.531 223 Y N -0.179 120.111 120.300 -0.016 0.000 2.509 223 Y HA -0.013 4.537 4.550 -0.000 0.000 0.293 223 Y C 2.083 177.958 175.900 -0.040 0.000 1.133 223 Y CA 1.288 59.367 58.100 -0.036 0.000 1.283 223 Y CB -0.474 37.949 38.460 -0.062 0.000 1.001 223 Y HN 0.759 nan 8.280 nan 0.000 0.555 224 D N -0.880 119.627 120.400 0.178 0.000 2.084 224 D HA -0.205 4.435 4.640 -0.000 0.000 0.196 224 D C 2.218 178.517 176.300 -0.003 0.000 0.985 224 D CA 1.673 55.730 54.000 0.096 0.000 0.826 224 D CB -0.144 40.697 40.800 0.067 0.000 0.978 224 D HN 0.402 nan 8.370 nan 0.000 0.456 225 S N -0.217 115.472 115.700 -0.017 0.000 2.493 225 S HA -0.078 4.392 4.470 -0.000 0.000 0.243 225 S C 1.803 176.344 174.600 -0.097 0.000 0.991 225 S CA 1.629 59.794 58.200 -0.057 0.000 0.957 225 S CB -0.246 62.918 63.200 -0.060 0.000 0.756 225 S HN 0.311 nan 8.310 nan 0.000 0.521 226 G N 2.110 110.827 108.800 -0.138 0.000 2.499 226 G HA2 -0.004 3.956 3.960 -0.000 0.000 0.213 226 G HA3 -0.004 3.956 3.960 -0.000 0.000 0.213 226 G C 1.271 176.058 174.900 -0.188 0.000 1.230 226 G CA 0.742 45.718 45.100 -0.207 0.000 0.813 226 G HN 0.529 nan 8.290 nan 0.000 0.542 227 I N 1.717 122.158 120.570 -0.215 0.000 2.657 227 I HA -0.116 4.054 4.170 -0.000 0.000 0.261 227 I C 2.287 178.358 176.117 -0.076 0.000 1.212 227 I CA 1.119 62.343 61.300 -0.127 0.000 1.453 227 I CB -1.074 36.879 38.000 -0.079 0.000 1.092 227 I HN 0.448 nan 8.210 nan 0.000 0.452 228 E N 1.564 121.719 120.200 -0.076 0.000 2.016 228 E HA -0.134 4.216 4.350 -0.000 0.000 0.190 228 E C 2.377 178.939 176.600 -0.064 0.000 0.985 228 E CA 1.243 57.609 56.400 -0.056 0.000 0.802 228 E CB 0.031 29.699 29.700 -0.054 0.000 0.762 228 E HN 0.349 nan 8.360 nan 0.000 0.448 229 A N 0.707 123.476 122.820 -0.085 0.000 1.940 229 A HA -0.129 4.191 4.320 -0.000 0.000 0.219 229 A C 2.341 179.873 177.584 -0.087 0.000 1.176 229 A CA 1.458 53.437 52.037 -0.096 0.000 0.631 229 A CB -0.650 18.274 19.000 -0.127 0.000 0.814 229 A HN 0.240 nan 8.150 nan 0.000 0.446 230 V N -0.270 119.592 119.914 -0.086 0.000 2.221 230 V HA -0.269 3.851 4.120 -0.000 0.000 0.240 230 V C 2.468 178.531 176.094 -0.051 0.000 1.041 230 V CA 2.183 64.439 62.300 -0.073 0.000 0.991 230 V CB -0.841 30.939 31.823 -0.072 0.000 0.634 230 V HN 0.782 nan 8.190 nan 0.000 0.450 231 E N 0.065 120.240 120.200 -0.041 0.000 2.113 231 E HA -0.342 4.008 4.350 -0.000 0.000 0.210 231 E C 2.277 178.865 176.600 -0.020 0.000 1.040 231 E CA 2.214 58.599 56.400 -0.025 0.000 0.847 231 E CB -0.129 29.559 29.700 -0.020 0.000 0.755 231 E HN 0.509 nan 8.360 nan 0.000 0.459 232 K N 0.111 120.495 120.400 -0.026 0.000 1.985 232 K HA -0.155 4.165 4.320 -0.000 0.000 0.210 232 K C 2.439 179.032 176.600 -0.012 0.000 1.047 232 K CA 1.387 57.665 56.287 -0.016 0.000 0.932 232 K CB -0.340 32.147 32.500 -0.021 0.000 0.716 232 K HN 0.228 nan 8.250 nan 0.000 0.439 233 L N 1.224 122.428 121.223 -0.032 0.000 2.013 233 L HA -0.257 4.082 4.340 -0.000 0.000 0.212 233 L C 2.342 179.198 176.870 -0.024 0.000 1.073 233 L CA 1.151 55.967 54.840 -0.041 0.000 0.753 233 L CB -0.266 41.737 42.059 -0.093 0.000 0.890 233 L HN 0.226 nan 8.230 nan 0.000 0.432 234 L N -0.880 120.328 121.223 -0.024 0.000 1.925 234 L HA -0.247 4.093 4.340 -0.000 0.000 0.215 234 L C 2.562 179.438 176.870 0.011 0.000 1.082 234 L CA 1.296 56.131 54.840 -0.009 0.000 0.764 234 L CB -0.607 41.445 42.059 -0.012 0.000 0.887 234 L HN 0.145 nan 8.230 nan 0.000 0.432 235 E N 0.017 120.222 120.200 0.009 0.000 2.086 235 E HA -0.233 4.117 4.350 -0.000 0.000 0.200 235 E C 1.863 178.480 176.600 0.027 0.000 1.012 235 E CA 1.049 57.459 56.400 0.016 0.000 0.812 235 E CB -0.400 29.307 29.700 0.011 0.000 0.743 235 E HN 0.293 nan 8.360 nan 0.000 0.453 236 E N 0.259 120.477 120.200 0.030 0.000 2.144 236 E HA -0.218 4.131 4.350 -0.000 0.000 0.243 236 E C 0.656 177.291 176.600 0.058 0.000 1.043 236 E CA 2.103 58.530 56.400 0.045 0.000 0.952 236 E CB -0.872 28.864 29.700 0.059 0.000 0.849 236 E HN 0.473 nan 8.360 nan 0.000 0.522 237 D N -1.805 118.646 120.400 0.085 0.000 2.728 237 D HA 0.346 4.986 4.640 -0.000 0.000 0.249 237 D C 0.124 176.507 176.300 0.138 0.000 1.225 237 D CA 0.139 54.195 54.000 0.093 0.000 0.748 237 D CB 0.741 nan 40.800 nan 0.000 1.326 237 D HN 0.008 nan 8.370 nan 0.000 0.426 238 E N -0.309 119.960 120.200 0.115 0.000 4.205 238 E HA -0.234 4.116 4.350 -0.000 0.000 0.310 238 E C 0.054 176.730 176.600 0.126 0.000 0.654 238 E CA 1.735 58.219 56.400 0.141 0.000 1.279 238 E CB -1.256 28.583 29.700 0.233 0.000 1.720 238 E HN 0.940 nan 8.360 nan 0.000 0.403 239 K N -0.033 120.425 120.400 0.096 0.000 4.838 239 K HA -0.190 4.130 4.320 -0.000 0.000 0.300 239 K C -2.497 174.134 176.600 0.053 0.000 0.861 239 K CA 0.648 56.967 56.287 0.052 0.000 0.929 239 K CB -0.634 31.892 32.500 0.044 0.000 1.772 239 K HN 0.186 nan 8.250 nan 0.000 0.422 240 P HA -0.161 nan 4.420 nan 0.000 0.271 240 P C 1.078 178.402 177.300 0.040 0.000 1.212 240 P CA 0.465 63.560 63.100 -0.009 0.000 0.788 240 P CB 0.504 32.069 31.700 -0.225 0.000 0.865 241 T N -2.303 112.313 114.554 0.103 0.000 3.037 241 T HA 0.465 4.815 4.350 -0.000 0.000 0.252 241 T C 0.499 175.228 174.700 0.049 0.000 1.073 241 T CA 0.379 62.585 62.100 0.177 0.000 1.091 241 T CB 0.088 69.198 68.868 0.403 0.000 0.935 241 T HN 0.543 nan 8.240 nan 0.000 0.488 242 A N 0.242 123.010 122.820 -0.086 0.000 2.572 242 A HA 0.789 5.109 4.320 -0.000 0.000 0.295 242 A C -1.186 176.348 177.584 -0.084 0.000 1.072 242 A CA -1.010 50.903 52.037 -0.208 0.000 0.691 242 A CB 1.297 19.960 19.000 -0.561 0.000 1.291 242 A HN 0.361 nan 8.150 nan 0.000 0.404 243 I N 0.020 120.563 120.570 -0.045 0.000 3.067 243 I HA 0.703 4.873 4.170 -0.000 0.000 0.312 243 I C -1.089 175.109 176.117 0.135 0.000 1.073 243 I CA -0.766 60.545 61.300 0.018 0.000 1.016 243 I CB 2.244 40.223 38.000 -0.035 0.000 1.227 243 I HN 0.701 nan 8.210 nan 0.000 0.456 244 F N 2.881 122.833 119.950 0.004 0.000 2.596 244 F HA 0.671 5.198 4.527 -0.000 0.000 0.311 244 F C -1.575 174.247 175.800 0.038 0.000 1.116 244 F CA -0.483 57.559 58.000 0.070 0.000 0.957 244 F CB 1.469 40.572 39.000 0.172 0.000 1.250 244 F HN 0.021 nan 8.300 nan 0.000 0.444 245 V N 4.461 124.136 119.914 -0.399 0.000 2.680 245 V HA 0.467 4.587 4.120 -0.000 0.000 0.309 245 V C 0.791 176.672 176.094 -0.355 0.000 1.052 245 V CA -0.255 61.872 62.300 -0.289 0.000 0.908 245 V CB 1.462 33.158 31.823 -0.212 0.000 1.001 245 V HN 0.985 nan 8.190 nan 0.000 0.431 246 G N 1.912 110.615 108.800 -0.162 0.000 2.625 246 G HA2 0.240 4.200 3.960 -0.000 0.000 0.214 246 G HA3 0.240 4.200 3.960 -0.000 0.000 0.214 246 G C 0.575 175.415 174.900 -0.100 0.000 1.132 246 G CA 1.200 46.261 45.100 -0.065 0.000 0.782 246 G HN 0.960 nan 8.290 nan 0.000 0.538 247 T N -4.018 110.472 114.554 -0.107 0.000 2.637 247 T HA 0.393 4.743 4.350 -0.000 0.000 0.303 247 T C -0.122 174.504 174.700 -0.124 0.000 1.288 247 T CA 0.074 62.097 62.100 -0.128 0.000 1.040 247 T CB 1.241 69.980 68.868 -0.214 0.000 1.644 247 T HN -0.119 nan 8.240 nan 0.000 0.480 248 D N -0.024 120.294 120.400 -0.135 0.000 2.431 248 D HA 0.208 4.848 4.640 -0.000 0.000 0.235 248 D C 0.873 177.137 176.300 -0.060 0.000 0.980 248 D CA 0.044 53.981 54.000 -0.105 0.000 0.912 248 D CB 0.191 40.924 40.800 -0.111 0.000 1.056 248 D HN 0.709 nan 8.370 nan 0.000 0.494 252 L N 1.207 122.408 121.223 -0.037 0.000 1.976 252 L HA 0.033 4.372 4.340 -0.000 0.000 0.209 252 L C 2.770 179.611 176.870 -0.047 0.000 1.071 252 L CA 2.725 57.600 54.840 0.058 0.000 0.746 252 L CB -0.920 41.272 42.059 0.222 0.000 0.890 252 L HN 0.502 nan 8.230 nan 0.000 0.432 253 G N -0.901 107.649 108.800 -0.418 0.000 2.513 253 G HA2 -0.261 3.699 3.960 -0.000 0.000 0.219 253 G HA3 -0.261 3.699 3.960 -0.000 0.000 0.219 253 G C 1.639 176.370 174.900 -0.281 0.000 1.160 253 G CA 1.278 45.953 45.100 -0.710 0.000 0.767 253 G HN 0.276 nan 8.290 nan 0.000 0.571 254 V N 1.119 120.921 119.914 -0.188 0.000 2.380 254 V HA -0.228 3.892 4.120 -0.000 0.000 0.251 254 V C 2.757 178.792 176.094 -0.099 0.000 1.063 254 V CA 1.849 64.071 62.300 -0.129 0.000 1.055 254 V CB -0.373 31.379 31.823 -0.118 0.000 0.657 254 V HN 0.449 nan 8.190 nan 0.000 0.455 255 I N -0.951 119.564 120.570 -0.092 0.000 2.406 255 I HA -0.149 4.021 4.170 -0.000 0.000 0.249 255 I C 2.444 178.479 176.117 -0.137 0.000 1.122 255 I CA 1.314 62.542 61.300 -0.121 0.000 1.431 255 I CB -0.457 37.442 38.000 -0.168 0.000 1.087 255 I HN 0.358 nan 8.210 nan 0.000 0.424 256 H N 0.435 119.443 119.070 -0.103 0.000 2.363 256 H HA -0.006 4.550 4.556 -0.000 0.000 0.301 256 H C 2.357 177.652 175.328 -0.054 0.000 1.074 256 H CA 1.374 57.393 56.048 -0.047 0.000 1.354 256 H CB -0.676 29.090 29.762 0.008 0.000 1.397 256 H HN 0.267 nan 8.280 nan 0.000 0.516 257 G N 0.127 108.948 108.800 0.035 0.000 2.470 257 G HA2 -0.206 3.754 3.960 -0.000 0.000 0.220 257 G HA3 -0.206 3.754 3.960 -0.000 0.000 0.220 257 G C 1.764 176.657 174.900 -0.011 0.000 1.121 257 G CA 0.776 45.874 45.100 -0.004 0.000 0.766 257 G HN 0.525 nan 8.290 nan 0.000 0.553 258 A N -0.182 122.623 122.820 -0.026 0.000 2.067 258 A HA 0.099 4.419 4.320 -0.000 0.000 0.217 258 A C 2.144 179.716 177.584 -0.020 0.000 1.156 258 A CA 1.611 53.630 52.037 -0.030 0.000 0.683 258 A CB -0.189 18.784 19.000 -0.045 0.000 0.808 258 A HN 0.462 nan 8.150 nan 0.000 0.455 259 Q N -0.561 119.228 119.800 -0.018 0.000 2.354 259 Q HA -0.099 4.241 4.340 -0.000 0.000 0.203 259 Q C 0.763 176.770 176.000 0.010 0.000 0.933 259 Q CA 0.905 56.700 55.803 -0.012 0.000 0.901 259 Q CB 0.033 28.752 28.738 -0.031 0.000 1.007 259 Q HN 0.577 nan 8.270 nan 0.000 0.495 260 D N 0.544 120.958 120.400 0.023 0.000 2.103 260 D HA -0.113 4.526 4.640 -0.000 0.000 0.199 260 D C 1.866 178.175 176.300 0.016 0.000 0.978 260 D CA 0.746 54.763 54.000 0.029 0.000 0.829 260 D CB 0.111 40.934 40.800 0.038 0.000 0.981 260 D HN 0.193 nan 8.370 nan 0.000 0.464 261 R N -0.056 120.449 120.500 0.009 0.000 2.096 261 R HA -0.031 4.309 4.340 -0.000 0.000 0.235 261 R C 1.793 178.096 176.300 0.006 0.000 1.127 261 R CA 1.279 57.382 56.100 0.006 0.000 0.968 261 R CB -0.356 29.944 30.300 0.001 0.000 0.861 261 R HN 0.374 nan 8.270 nan 0.000 0.440 262 G N -1.138 107.664 108.800 0.004 0.000 2.672 262 G HA2 -0.141 3.819 3.960 -0.000 0.000 0.197 262 G HA3 -0.141 3.819 3.960 -0.000 0.000 0.197 262 G C -0.148 174.753 174.900 0.002 0.000 0.995 262 G CA -0.550 44.553 45.100 0.004 0.000 0.754 262 G HN 0.038 nan 8.290 nan 0.000 0.505 263 L N 1.254 122.477 121.223 -0.001 0.000 2.474 263 L HA 0.457 4.796 4.340 -0.000 0.000 0.259 263 L C 0.657 177.523 176.870 -0.007 0.000 1.232 263 L CA 0.093 54.932 54.840 -0.002 0.000 0.821 263 L CB 0.404 42.462 42.059 -0.003 0.000 1.108 263 L HN 0.359 nan 8.230 nan 0.000 0.495 264 N N -1.157 117.541 118.700 -0.003 0.000 2.476 264 N HA 0.326 5.066 4.740 -0.000 0.000 0.257 264 N C 0.560 176.066 175.510 -0.008 0.000 0.970 264 N CA -0.449 52.597 53.050 -0.007 0.000 0.938 264 N CB 1.187 39.674 38.487 0.000 0.000 1.144 264 N HN 0.338 nan 8.380 nan 0.000 0.500 265 V N 5.478 125.378 119.914 -0.023 0.000 2.220 265 V HA -0.113 4.007 4.120 -0.000 0.000 0.246 265 V C -0.899 175.190 176.094 -0.008 0.000 1.049 265 V CA 1.641 63.926 62.300 -0.026 0.000 1.003 265 V CB -1.243 30.549 31.823 -0.051 0.000 0.634 265 V HN 0.705 nan 8.190 nan 0.000 0.444 266 P HA -0.130 nan 4.420 nan 0.000 0.217 266 P C 0.939 178.255 177.300 0.025 0.000 1.151 266 P CA 1.600 64.705 63.100 0.008 0.000 0.849 266 P CB -0.022 31.680 31.700 0.003 0.000 0.787 267 N N -1.672 117.042 118.700 0.023 0.000 2.333 267 N HA -0.052 4.688 4.740 -0.000 0.000 0.234 267 N C 1.414 176.958 175.510 0.056 0.000 1.035 267 N CA 0.328 53.401 53.050 0.037 0.000 1.171 267 N CB -1.475 37.027 38.487 0.024 0.000 1.503 267 N HN -0.079 nan 8.380 nan 0.000 0.624 268 D N 0.958 121.383 120.400 0.042 0.000 2.355 268 D HA -0.176 4.463 4.640 -0.000 0.000 0.192 268 D C -0.059 176.284 176.300 0.072 0.000 1.014 268 D CA 1.485 55.516 54.000 0.051 0.000 0.862 268 D CB -0.282 40.536 40.800 0.030 0.000 0.986 268 D HN 0.253 nan 8.370 nan 0.000 0.456 269 L N -0.165 121.080 121.223 0.036 0.000 2.305 269 L HA 0.566 4.906 4.340 -0.000 0.000 0.284 269 L C -0.531 176.335 176.870 -0.007 0.000 1.013 269 L CA -0.814 54.035 54.840 0.015 0.000 0.819 269 L CB 1.313 43.365 42.059 -0.012 0.000 1.227 269 L HN -0.114 nan 8.230 nan 0.000 0.417 270 E N 4.721 124.898 120.200 -0.037 0.000 2.174 270 E HA 0.581 4.930 4.350 -0.000 0.000 0.282 270 E C -0.316 176.250 176.600 -0.058 0.000 0.992 270 E CA -0.700 55.679 56.400 -0.035 0.000 0.803 270 E CB 2.307 31.992 29.700 -0.025 0.000 1.090 270 E HN 0.677 nan 8.360 nan 0.000 0.396 271 I N 0.950 121.498 120.570 -0.037 0.000 2.982 271 I HA 0.701 4.871 4.170 -0.000 0.000 0.312 271 I C -0.614 175.480 176.117 -0.039 0.000 1.041 271 I CA -1.181 60.094 61.300 -0.042 0.000 1.053 271 I CB 1.524 39.486 38.000 -0.063 0.000 1.248 271 I HN 0.691 nan 8.210 nan 0.000 0.471 272 I N 0.939 121.469 120.570 -0.066 0.000 2.787 272 I HA 0.689 4.859 4.170 -0.000 0.000 0.294 272 I C -0.646 175.314 176.117 -0.261 0.000 1.365 272 I CA -0.197 61.036 61.300 -0.112 0.000 1.029 272 I CB 2.067 40.053 38.000 -0.024 0.000 1.313 272 I HN 0.922 nan 8.210 nan 0.000 0.431 273 G N 4.478 113.122 108.800 -0.261 0.000 2.735 273 G HA2 0.660 4.620 3.960 -0.000 0.000 0.301 273 G HA3 0.660 4.620 3.960 -0.000 0.000 0.301 273 G C -2.020 172.714 174.900 -0.276 0.000 1.279 273 G CA -0.519 44.406 45.100 -0.291 0.000 1.019 273 G HN 0.450 nan 8.290 nan 0.000 0.497 274 F N -0.929 118.815 119.950 -0.343 0.000 2.579 274 F HA 0.510 5.037 4.527 -0.000 0.000 0.324 274 F C 0.766 176.427 175.800 -0.232 0.000 1.058 274 F CA -0.024 57.825 58.000 -0.251 0.000 0.944 274 F CB 2.239 41.115 39.000 -0.207 0.000 1.245 274 F HN 0.632 nan 8.300 nan 0.000 0.477 275 D N 0.915 121.209 120.400 -0.178 0.000 3.081 275 D HA -0.308 4.332 4.640 -0.000 0.000 0.213 275 D C 0.104 176.283 176.300 -0.202 0.000 1.240 275 D CA 2.036 55.931 54.000 -0.175 0.000 2.076 275 D CB -0.972 39.667 40.800 -0.267 0.000 1.302 275 D HN 0.753 nan 8.370 nan 0.000 0.529 276 N N -0.062 118.525 118.700 -0.189 0.000 2.726 276 N HA -0.162 4.578 4.740 -0.000 0.000 0.253 276 N C -1.192 174.246 175.510 -0.120 0.000 1.059 276 N CA 1.474 54.433 53.050 -0.152 0.000 0.701 276 N CB -0.873 37.522 38.487 -0.153 0.000 0.899 276 N HN 0.410 nan 8.380 nan 0.000 0.548 277 T N 0.773 115.252 114.554 -0.126 0.000 2.882 277 T HA 0.244 4.594 4.350 -0.000 0.000 0.287 277 T C 1.652 176.313 174.700 -0.064 0.000 1.014 277 T CA -0.302 61.738 62.100 -0.100 0.000 1.049 277 T CB 1.094 69.885 68.868 -0.128 0.000 1.001 277 T HN 0.301 nan 8.240 nan 0.000 0.525 278 R N 0.315 120.791 120.500 -0.041 0.000 2.259 278 R HA -0.264 4.075 4.340 -0.000 0.000 0.247 278 R C 2.180 178.464 176.300 -0.027 0.000 1.114 278 R CA 2.271 58.356 56.100 -0.026 0.000 0.926 278 R CB -1.316 28.976 30.300 -0.013 0.000 0.937 278 R HN 0.572 nan 8.270 nan 0.000 0.434 279 L N -0.516 120.692 121.223 -0.024 0.000 2.456 279 L HA -0.125 4.215 4.340 -0.000 0.000 0.225 279 L C 1.975 178.836 176.870 -0.015 0.000 1.142 279 L CA 1.740 56.573 54.840 -0.012 0.000 0.796 279 L CB -1.083 40.974 42.059 -0.005 0.000 0.920 279 L HN 0.017 nan 8.230 nan 0.000 0.446 280 S N -1.014 114.664 115.700 -0.036 0.000 2.507 280 S HA -0.053 4.417 4.470 -0.000 0.000 0.235 280 S C 1.110 175.691 174.600 -0.033 0.000 0.988 280 S CA 0.840 59.012 58.200 -0.046 0.000 0.944 280 S CB -0.622 62.535 63.200 -0.071 0.000 0.762 280 S HN 0.858 nan 8.310 nan 0.000 0.526 284 R N 1.034 121.500 120.500 -0.057 0.000 2.401 284 R HA 0.034 4.374 4.340 -0.000 0.000 0.198 284 R C -1.432 174.836 176.300 -0.052 0.000 0.980 284 R CA 1.756 57.814 56.100 -0.069 0.000 0.839 284 R CB -1.323 28.896 30.300 -0.136 0.000 0.717 284 R HN 0.763 nan 8.270 nan 0.000 0.464 285 P HA 0.074 nan 4.420 nan 0.000 0.280 285 P C -1.099 176.181 177.300 -0.033 0.000 1.386 285 P CA 0.079 63.156 63.100 -0.038 0.000 0.899 285 P CB 0.632 32.310 31.700 -0.037 0.000 1.098 286 Q N 1.824 121.610 119.800 -0.022 0.000 2.757 286 Q HA -0.121 4.219 4.340 -0.000 0.000 0.366 286 Q C 0.310 176.295 176.000 -0.025 0.000 1.083 286 Q CA 0.265 56.056 55.803 -0.020 0.000 1.146 286 Q CB 0.079 28.809 28.738 -0.012 0.000 1.060 286 Q HN 0.459 nan 8.270 nan 0.000 0.416 287 L N 3.729 124.929 121.223 -0.038 0.000 2.456 287 L HA 0.073 4.413 4.340 -0.000 0.000 0.277 287 L C -0.269 176.559 176.870 -0.071 0.000 1.124 287 L CA 0.628 55.435 54.840 -0.055 0.000 0.880 287 L CB 0.755 42.774 42.059 -0.067 0.000 1.192 287 L HN 0.453 nan 8.230 nan 0.000 0.463 288 T N 4.288 118.804 114.554 -0.064 0.000 2.888 288 T HA 0.354 4.704 4.350 -0.000 0.000 0.301 288 T C 0.074 174.661 174.700 -0.188 0.000 1.001 288 T CA 0.061 62.095 62.100 -0.109 0.000 1.147 288 T CB 0.235 69.066 68.868 -0.060 0.000 0.931 288 T HN 0.819 nan 8.240 nan 0.000 0.541 289 S N 1.378 116.930 115.700 -0.248 0.000 2.618 289 S HA 0.515 4.985 4.470 -0.000 0.000 0.277 289 S C -0.636 173.763 174.600 -0.336 0.000 1.138 289 S CA -0.847 57.190 58.200 -0.271 0.000 0.844 289 S CB 1.675 64.743 63.200 -0.219 0.000 1.127 289 S HN 0.456 nan 8.310 nan 0.000 0.474 290 V N 2.321 122.001 119.914 -0.390 0.000 2.353 290 V HA 0.233 4.353 4.120 -0.000 0.000 0.264 290 V C 0.014 175.814 176.094 -0.490 0.000 1.049 290 V CA -0.613 61.409 62.300 -0.463 0.000 0.896 290 V CB 0.861 32.288 31.823 -0.660 0.000 1.025 290 V HN 0.691 nan 8.190 nan 0.000 0.475 291 V N 5.698 125.432 119.914 -0.301 0.000 2.509 291 V HA 0.014 4.134 4.120 -0.000 0.000 0.297 291 V C 0.438 176.416 176.094 -0.193 0.000 1.014 291 V CA 0.590 62.762 62.300 -0.213 0.000 1.127 291 V CB 0.716 32.460 31.823 -0.131 0.000 0.925 291 V HN 0.991 nan 8.190 nan 0.000 0.480 292 Q N 8.129 127.838 119.800 -0.152 0.000 2.347 292 Q HA 0.441 4.781 4.340 -0.000 0.000 0.265 292 Q C -2.376 173.645 176.000 0.035 0.000 1.024 292 Q CA -1.582 54.191 55.803 -0.050 0.000 0.731 292 Q CB 2.325 31.074 28.738 0.019 0.000 1.245 292 Q HN 0.621 nan 8.270 nan 0.000 0.472 296 D N 1.290 121.894 120.400 0.340 0.000 2.162 296 D HA -0.042 4.598 4.640 -0.000 0.000 0.203 296 D C 2.148 178.519 176.300 0.119 0.000 0.967 296 D CA 1.634 55.778 54.000 0.240 0.000 0.840 296 D CB 0.110 41.010 40.800 0.166 0.000 0.972 296 D HN 0.307 nan 8.370 nan 0.000 0.482 297 I N 1.313 121.945 120.570 0.103 0.000 2.091 297 I HA -0.186 3.984 4.170 -0.000 0.000 0.239 297 I C 2.598 178.727 176.117 0.019 0.000 1.061 297 I CA 1.579 62.921 61.300 0.069 0.000 1.317 297 I CB -1.707 36.344 38.000 0.086 0.000 1.031 297 I HN 0.016 nan 8.210 nan 0.000 0.401 298 G N 0.410 109.195 108.800 -0.025 0.000 2.446 298 G HA2 -0.198 3.762 3.960 -0.000 0.000 0.217 298 G HA3 -0.198 3.762 3.960 -0.000 0.000 0.217 298 G C 1.879 176.715 174.900 -0.107 0.000 1.168 298 G CA 1.377 46.424 45.100 -0.088 0.000 0.771 298 G HN 0.533 nan 8.290 nan 0.000 0.551 299 A N 0.134 122.872 122.820 -0.138 0.000 1.873 299 A HA -0.021 4.299 4.320 -0.000 0.000 0.218 299 A C 2.651 180.236 177.584 0.002 0.000 1.193 299 A CA 2.253 54.246 52.037 -0.072 0.000 0.629 299 A CB -0.896 18.143 19.000 0.065 0.000 0.826 299 A HN 0.304 nan 8.150 nan 0.000 0.447 300 V N 0.189 120.119 119.914 0.026 0.000 2.237 300 V HA -0.102 4.018 4.120 -0.000 0.000 0.245 300 V C 2.132 178.222 176.094 -0.006 0.000 1.046 300 V CA 1.005 63.317 62.300 0.021 0.000 1.007 300 V CB -1.770 30.074 31.823 0.035 0.000 0.638 300 V HN 0.739 nan 8.190 nan 0.000 0.445 304 L N 1.485 122.623 121.223 -0.141 0.000 1.989 304 L HA 0.038 4.378 4.340 -0.000 0.000 0.211 304 L C 1.883 178.632 176.870 -0.202 0.000 1.071 304 L CA 2.193 56.911 54.840 -0.203 0.000 0.749 304 L CB -0.983 41.011 42.059 -0.108 0.000 0.890 304 L HN 0.397 nan 8.230 nan 0.000 0.431 305 L N -0.646 120.544 121.223 -0.055 0.000 2.189 305 L HA -0.229 4.111 4.340 -0.000 0.000 0.214 305 L C 2.328 179.138 176.870 -0.099 0.000 1.097 305 L CA 2.409 57.258 54.840 0.015 0.000 0.764 305 L CB -1.074 40.950 42.059 -0.058 0.000 0.900 305 L HN 0.490 nan 8.230 nan 0.000 0.436 306 T N -1.902 112.516 114.554 -0.227 0.000 2.821 306 T HA -0.159 4.191 4.350 -0.000 0.000 0.267 306 T C 1.862 176.443 174.700 -0.199 0.000 1.046 306 T CA 1.426 63.348 62.100 -0.296 0.000 1.139 306 T CB -0.133 68.391 68.868 -0.573 0.000 0.871 306 T HN 0.339 nan 8.240 nan 0.000 0.454 307 K N 0.073 120.336 120.400 -0.228 0.000 1.984 307 K HA 0.023 4.343 4.320 -0.000 0.000 0.209 307 K C 0.735 177.293 176.600 -0.070 0.000 1.046 307 K CA 0.693 56.865 56.287 -0.191 0.000 0.934 307 K CB -0.385 31.936 32.500 -0.298 0.000 0.717 307 K HN 0.236 nan 8.250 nan 0.000 0.438 311 K N -0.203 120.237 120.400 0.066 0.000 3.426 311 K HA -0.258 4.062 4.320 -0.000 0.000 0.315 311 K C -0.770 175.863 176.600 0.055 0.000 1.293 311 K CA 1.598 57.927 56.287 0.069 0.000 0.955 311 K CB -1.832 30.698 32.500 0.051 0.000 1.238 311 K HN 0.739 nan 8.250 nan 0.000 0.441 312 E N 1.408 121.624 120.200 0.026 0.000 2.360 312 E HA 0.074 4.424 4.350 -0.000 0.000 0.269 312 E C 0.132 176.733 176.600 0.001 0.000 1.022 312 E CA 0.101 56.502 56.400 0.003 0.000 0.887 312 E CB 0.907 30.592 29.700 -0.025 0.000 0.990 312 E HN 0.071 nan 8.360 nan 0.000 0.426 313 T N 3.160 117.722 114.554 0.014 0.000 4.508 313 T HA 0.111 4.461 4.350 -0.000 0.000 0.232 313 T C -0.300 174.392 174.700 -0.012 0.000 1.027 313 T CA -0.518 61.598 62.100 0.027 0.000 0.999 313 T CB -1.039 67.850 68.868 0.036 0.000 1.402 313 T HN 0.345 nan 8.240 nan 0.000 1.003 314 V N 4.615 124.479 119.914 -0.082 0.000 2.313 314 V HA 0.200 4.320 4.120 -0.000 0.000 0.252 314 V C 0.888 176.921 176.094 -0.102 0.000 1.112 314 V CA -0.834 61.398 62.300 -0.114 0.000 0.984 314 V CB -0.061 31.653 31.823 -0.181 0.000 1.157 314 V HN 0.709 nan 8.190 nan 0.000 0.493 315 D N 3.062 123.450 120.400 -0.021 0.000 2.274 315 D HA 0.106 4.745 4.640 -0.000 0.000 0.256 315 D C 0.884 177.194 176.300 0.016 0.000 1.274 315 D CA 1.071 55.085 54.000 0.024 0.000 0.998 315 D CB 0.396 41.215 40.800 0.031 0.000 1.139 315 D HN 0.695 nan 8.370 nan 0.000 0.540 316 S N -1.125 114.598 115.700 0.038 0.000 3.625 316 S HA -0.180 4.290 4.470 -0.000 0.000 0.426 316 S C 0.685 175.316 174.600 0.051 0.000 0.884 316 S CA 0.818 59.041 58.200 0.038 0.000 1.322 316 S CB -1.855 61.358 63.200 0.021 0.000 0.905 316 S HN 0.576 nan 8.310 nan 0.000 0.586 317 S N 0.700 116.457 115.700 0.095 0.000 2.603 317 S HA 0.223 4.693 4.470 -0.000 0.000 0.229 317 S C 0.390 175.057 174.600 0.112 0.000 0.972 317 S CA 0.288 58.580 58.200 0.153 0.000 0.935 317 S CB -0.173 63.151 63.200 0.207 0.000 0.769 317 S HN 0.609 nan 8.310 nan 0.000 0.536 318 I N 2.088 122.706 120.570 0.080 0.000 2.390 318 I HA 0.362 4.532 4.170 -0.000 0.000 0.283 318 I C -0.683 175.473 176.117 0.064 0.000 1.016 318 I CA -0.545 60.800 61.300 0.075 0.000 1.151 318 I CB 1.665 39.706 38.000 0.069 0.000 1.293 318 I HN -0.075 nan 8.210 nan 0.000 0.458 319 V N 6.281 126.234 119.914 0.066 0.000 2.398 319 V HA 0.458 4.578 4.120 -0.000 0.000 0.286 319 V C 0.029 176.166 176.094 0.070 0.000 1.026 319 V CA -0.670 61.664 62.300 0.057 0.000 0.868 319 V CB 1.517 33.366 31.823 0.043 0.000 0.982 319 V HN 0.549 nan 8.190 nan 0.000 0.443 320 Q N 3.315 123.154 119.800 0.066 0.000 2.266 320 Q HA 0.633 4.972 4.340 -0.000 0.000 0.261 320 Q C -1.412 174.628 176.000 0.066 0.000 0.985 320 Q CA -0.877 54.973 55.803 0.078 0.000 0.873 320 Q CB 2.952 31.741 28.738 0.085 0.000 1.306 320 Q HN 0.470 nan 8.270 nan 0.000 0.447 321 L N 2.940 124.207 121.223 0.073 0.000 2.381 321 L HA 0.428 4.768 4.340 -0.000 0.000 0.274 321 L C -2.440 174.463 176.870 0.054 0.000 0.988 321 L CA -1.791 53.084 54.840 0.058 0.000 0.824 321 L CB 1.788 43.885 42.059 0.063 0.000 1.263 321 L HN 0.346 nan 8.230 nan 0.000 0.410 322 P HA 0.036 nan 4.420 nan 0.000 0.259 322 P C -1.263 176.010 177.300 -0.045 0.000 1.163 322 P CA 0.471 63.538 63.100 -0.055 0.000 0.760 322 P CB 0.072 31.735 31.700 -0.061 0.000 0.762 323 H N 1.719 120.754 119.070 -0.057 0.000 2.748 323 H HA 0.880 5.436 4.556 -0.000 0.000 0.315 323 H C 0.153 175.422 175.328 -0.098 0.000 1.429 323 H CA -1.104 54.878 56.048 -0.110 0.000 1.444 323 H CB 1.399 31.068 29.762 -0.155 0.000 1.827 323 H HN 0.395 nan 8.280 nan 0.000 0.754 324 R N -0.273 120.190 120.500 -0.063 0.000 2.774 324 R HA 0.336 4.676 4.340 -0.000 0.000 0.279 324 R C -1.947 174.282 176.300 -0.118 0.000 1.022 324 R CA -0.834 55.199 56.100 -0.112 0.000 0.855 324 R CB 1.136 31.369 30.300 -0.112 0.000 1.279 324 R HN 0.700 nan 8.270 nan 0.000 0.485 325 I N 0.018 120.502 120.570 -0.144 0.000 2.460 325 I HA 0.591 4.760 4.170 -0.000 0.000 0.298 325 I C -0.661 175.261 176.117 -0.326 0.000 0.989 325 I CA -0.506 60.590 61.300 -0.340 0.000 1.173 325 I CB 1.646 39.329 38.000 -0.529 0.000 1.338 325 I HN 0.533 nan 8.210 nan 0.000 0.456 326 E N 4.254 124.201 120.200 -0.422 0.000 2.325 326 E HA 0.526 4.876 4.350 -0.000 0.000 0.248 326 E C -1.815 174.648 176.600 -0.227 0.000 0.912 326 E CA -0.349 55.934 56.400 -0.196 0.000 0.782 326 E CB 0.599 30.224 29.700 -0.126 0.000 1.264 326 E HN 0.373 nan 8.360 nan 0.000 0.417 327 F N 3.305 123.235 119.950 -0.032 0.000 2.404 327 F HA 0.491 5.018 4.527 -0.000 0.000 0.358 327 F C 1.380 177.164 175.800 -0.026 0.000 1.120 327 F CA -0.671 57.313 58.000 -0.027 0.000 1.144 327 F CB 1.006 39.996 39.000 -0.017 0.000 1.133 327 F HN 0.336 nan 8.300 nan 0.000 0.495 328 R N 1.604 122.174 120.500 0.117 0.000 1.909 328 R HA 0.100 4.440 4.340 -0.000 0.000 0.181 328 R C 1.370 177.711 176.300 0.069 0.000 1.604 328 R CA 0.881 57.021 56.100 0.066 0.000 1.298 328 R CB -0.069 30.242 30.300 0.019 0.000 0.937 328 R HN 0.752 nan 8.270 nan 0.000 0.490 329 Q N -0.677 119.150 119.800 0.044 0.000 2.288 329 Q HA 0.219 4.559 4.340 -0.000 0.000 0.256 329 Q C 1.732 177.755 176.000 0.038 0.000 0.835 329 Q CA 0.336 56.161 55.803 0.037 0.000 0.958 329 Q CB 0.475 29.222 28.738 0.016 0.000 1.125 329 Q HN 0.140 nan 8.270 nan 0.000 0.513 330 S N 1.366 117.084 115.700 0.030 0.000 2.393 330 S HA -0.162 4.308 4.470 -0.000 0.000 0.235 330 S C 0.761 175.388 174.600 0.045 0.000 1.061 330 S CA 1.864 60.076 58.200 0.020 0.000 1.129 330 S CB -0.631 62.569 63.200 -0.000 0.000 1.011 330 S HN 0.532 nan 8.310 nan 0.000 0.436 331 T N 3.628 118.236 114.554 0.091 0.000 2.727 331 T HA 0.306 4.656 4.350 -0.000 0.000 0.298 331 T C 0.151 174.909 174.700 0.097 0.000 0.942 331 T CA -0.453 61.718 62.100 0.117 0.000 0.997 331 T CB 1.144 70.136 68.868 0.206 0.000 0.917 331 T HN 0.339 nan 8.240 nan 0.000 0.487 332 K N 0.000 120.443 120.400 0.072 0.000 2.780 332 K HA 0.000 4.320 4.320 -0.000 0.000 0.191 332 K CA 0.000 56.312 56.287 0.042 0.000 0.838 332 K CB 0.000 32.529 32.500 0.048 0.000 1.064 332 K HN 0.000 nan 8.250 nan 0.000 0.543