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 2v8j_1_A DATA FIRST_RESID 5 DATA SEQUENCE RLTVVKQYVD NVLNKASDTY HGDKPSPLLA DGVDPRTGQQ LEWIFPDGRR DATA SEQUENCE AVLSNFSAQQ NLMRVMSGLS QLSGDPRYQK RAEDIVRYHF QNYQDPSGLL DATA SEQUENCE YWGGHRFVDL KTLQPEGPSE KEMVHELKNA YPYYDLMFSV DSDATARFIR DATA SEQUENCE GFWNAHVYDW RILETSRHGE YGKPMGALWE SKFEQQPPFF ATKGLSFLNA DATA SEQUENCE GNDLIYSASL LYKHQQDQGA LTWAKRLADQ YVLPRDAKTG LGVYQFTQAL DATA SEQUENCE KREEPTDDAD THSKFGDRAQ RQFGPEFGPT ALEGNMMLKG RTSTLYSENA DATA SEQUENCE LMQLQLGKDL GPQGQDLLKW TVDGLKAFAK YAYNDQDNTF RPMIANGQDL DATA SEQUENCE SNYTLPRDGY YGKKGTVLKP YKAGNEFLIS YARAYAIDND PLLWKVARGI DATA SEQUENCE ANDQGLGDIG TAPGKEVKVN MDTTNSDPYA LFALLDLYHA SQVADYRKLA DATA SEQUENCE EKIGDNIIKI RYIDGFFMAS SDRQYADVDA IEPYALLALE ASLRNKPQAV DATA SEQUENCE APFLNGAGFT EGAYRMDDGS ARVSTRDNEL FLLNV 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 5 R HA 0.000 nan 4.340 nan 0.000 0.208 5 R C 0.000 176.258 176.300 -0.070 0.000 0.893 5 R CA 0.000 56.060 56.100 -0.067 0.000 0.921 5 R CB 0.000 30.256 30.300 -0.074 0.000 0.687 6 L N 1.733 122.927 121.223 -0.048 0.000 2.093 6 L HA -0.003 4.329 4.340 -0.013 0.000 0.208 6 L C 1.751 178.597 176.870 -0.038 0.000 1.085 6 L CA 2.172 56.988 54.840 -0.041 0.000 0.755 6 L CB -0.395 41.652 42.059 -0.019 0.000 0.904 6 L HN 0.139 nan 8.230 nan 0.000 0.435 7 T N -1.283 113.253 114.554 -0.030 0.000 2.746 7 T HA -0.165 4.177 4.350 -0.013 0.000 0.267 7 T C 1.983 176.659 174.700 -0.040 0.000 1.039 7 T CA 1.605 63.693 62.100 -0.019 0.000 1.142 7 T CB -0.366 68.499 68.868 -0.006 0.000 0.866 7 T HN 0.186 nan 8.240 nan 0.000 0.444 8 V N 1.235 121.094 119.914 -0.092 0.000 2.287 8 V HA -0.163 3.949 4.120 -0.013 0.000 0.248 8 V C 2.654 178.648 176.094 -0.167 0.000 1.053 8 V CA 1.449 63.615 62.300 -0.224 0.000 1.027 8 V CB -0.742 30.866 31.823 -0.358 0.000 0.646 8 V HN 0.319 nan 8.190 nan 0.000 0.447 9 V N -0.339 119.528 119.914 -0.078 0.000 2.358 9 V HA -0.270 3.842 4.120 -0.013 0.000 0.246 9 V C 2.411 178.510 176.094 0.008 0.000 1.047 9 V CA 2.277 64.585 62.300 0.012 0.000 1.035 9 V CB -0.654 31.139 31.823 -0.050 0.000 0.658 9 V HN 0.538 nan 8.190 nan 0.000 0.452 10 K N -0.243 120.118 120.400 -0.064 0.000 2.032 10 K HA -0.272 4.040 4.320 -0.013 0.000 0.209 10 K C 2.293 178.884 176.600 -0.015 0.000 1.048 10 K CA 1.936 58.165 56.287 -0.097 0.000 0.927 10 K CB -0.156 32.330 32.500 -0.022 0.000 0.712 10 K HN 0.520 nan 8.250 nan 0.000 0.441 11 Q N -0.816 119.001 119.800 0.028 0.000 2.030 11 Q HA -0.247 4.085 4.340 -0.013 0.000 0.204 11 Q C 2.037 178.079 176.000 0.071 0.000 0.986 11 Q CA 2.118 57.961 55.803 0.066 0.000 0.843 11 Q CB -0.350 28.456 28.738 0.113 0.000 0.904 11 Q HN 0.438 nan 8.270 nan 0.000 0.420 12 Y N 0.859 121.155 120.300 -0.006 0.000 2.097 12 Y HA -0.268 4.274 4.550 -0.014 0.000 0.282 12 Y C 2.057 177.932 175.900 -0.042 0.000 1.152 12 Y CA 1.515 59.622 58.100 0.012 0.000 1.136 12 Y CB -0.504 38.048 38.460 0.153 0.000 0.975 12 Y HN -0.142 nan 8.280 nan 0.000 0.498 13 V N 0.911 120.680 119.914 -0.241 0.000 2.407 13 V HA -0.283 3.829 4.120 -0.013 0.000 0.248 13 V C 2.105 178.118 176.094 -0.136 0.000 1.055 13 V CA 2.082 64.197 62.300 -0.308 0.000 1.049 13 V CB -0.759 30.904 31.823 -0.267 0.000 0.662 13 V HN 0.412 nan 8.190 nan 0.000 0.455 14 D N 0.291 120.677 120.400 -0.024 0.000 2.106 14 D HA -0.174 4.458 4.640 -0.013 0.000 0.191 14 D C 2.118 178.384 176.300 -0.057 0.000 0.997 14 D CA 1.310 55.338 54.000 0.046 0.000 0.834 14 D CB -0.473 40.370 40.800 0.070 0.000 0.956 14 D HN 0.355 nan 8.370 nan 0.000 0.448 15 N N 0.363 118.966 118.700 -0.161 0.000 2.061 15 N HA -0.134 4.598 4.740 -0.013 0.000 0.193 15 N C 2.070 177.423 175.510 -0.263 0.000 1.030 15 N CA 0.712 53.603 53.050 -0.266 0.000 0.856 15 N CB -0.440 37.754 38.487 -0.488 0.000 1.023 15 N HN 0.075 nan 8.380 nan 0.000 0.424 16 V N 1.933 121.628 119.914 -0.365 0.000 2.287 16 V HA -0.199 3.913 4.120 -0.013 0.000 0.248 16 V C 2.394 178.492 176.094 0.006 0.000 1.053 16 V CA 1.328 63.549 62.300 -0.131 0.000 1.027 16 V CB -0.473 31.213 31.823 -0.229 0.000 0.646 16 V HN 0.264 nan 8.190 nan 0.000 0.447 17 L N 0.073 121.289 121.223 -0.011 0.000 2.217 17 L HA -0.114 4.218 4.340 -0.013 0.000 0.211 17 L C 2.320 179.210 176.870 0.033 0.000 1.107 17 L CA 1.494 56.356 54.840 0.037 0.000 0.783 17 L CB -0.641 41.454 42.059 0.060 0.000 0.919 17 L HN 0.418 nan 8.230 nan 0.000 0.442 18 N N 0.457 119.169 118.700 0.020 0.000 2.207 18 N HA -0.132 4.600 4.740 -0.013 0.000 0.182 18 N C 1.676 177.218 175.510 0.052 0.000 1.020 18 N CA 1.343 54.408 53.050 0.025 0.000 0.858 18 N CB 0.200 38.694 38.487 0.012 0.000 0.991 18 N HN 0.158 nan 8.380 nan 0.000 0.427 19 K N -1.120 119.340 120.400 0.100 0.000 2.354 19 K HA 0.303 4.615 4.320 -0.013 0.000 0.194 19 K C 0.781 177.481 176.600 0.167 0.000 1.045 19 K CA 0.473 56.854 56.287 0.157 0.000 1.026 19 K CB 0.615 33.284 32.500 0.281 0.000 0.866 19 K HN 0.133 nan 8.250 nan 0.000 0.530 20 A N 1.598 124.519 122.820 0.169 0.000 2.348 20 A HA 0.090 4.402 4.320 -0.013 0.000 0.224 20 A C 0.838 178.503 177.584 0.135 0.000 1.227 20 A CA -0.234 51.907 52.037 0.172 0.000 0.885 20 A CB 0.033 19.155 19.000 0.203 0.000 0.933 20 A HN 0.218 nan 8.150 nan 0.000 0.506 21 S N -0.394 115.361 115.700 0.091 0.000 2.681 21 S HA 0.327 4.789 4.470 -0.013 0.000 0.270 21 S C -0.229 174.403 174.600 0.052 0.000 1.209 21 S CA -0.421 57.817 58.200 0.064 0.000 0.988 21 S CB 0.749 63.969 63.200 0.032 0.000 1.006 21 S HN 0.210 nan 8.310 nan 0.000 0.558 22 D N 0.662 121.097 120.400 0.058 0.000 2.342 22 D HA 0.156 4.788 4.640 -0.013 0.000 0.260 22 D C 0.907 177.179 176.300 -0.046 0.000 1.278 22 D CA 0.062 54.124 54.000 0.104 0.000 0.910 22 D CB 0.465 41.340 40.800 0.123 0.000 1.079 22 D HN 0.671 nan 8.370 nan 0.000 0.496 23 T N 1.172 115.493 114.554 -0.388 0.000 3.176 23 T HA 0.105 4.447 4.350 -0.013 0.000 0.263 23 T C 0.640 175.039 174.700 -0.502 0.000 1.021 23 T CA -0.264 61.563 62.100 -0.455 0.000 0.905 23 T CB -0.448 68.132 68.868 -0.480 0.000 1.057 23 T HN 0.301 nan 8.240 nan 0.000 0.558 24 Y N 0.260 120.599 120.300 0.066 0.000 2.531 24 Y HA 0.399 4.941 4.550 -0.013 0.000 0.249 24 Y C 0.694 176.330 175.900 -0.441 0.000 1.168 24 Y CA -0.906 57.115 58.100 -0.133 0.000 1.226 24 Y CB 0.075 38.450 38.460 -0.141 0.000 1.177 24 Y HN 0.439 nan 8.280 nan 0.000 0.527 25 H N -1.493 117.636 119.070 0.099 0.000 2.777 25 H HA 0.439 4.987 4.556 -0.013 0.000 0.244 25 H C 1.340 176.689 175.328 0.034 0.000 1.185 25 H CA -0.388 55.705 56.048 0.074 0.000 0.945 25 H CB 0.389 30.200 29.762 0.081 0.000 1.994 25 H HN 0.310 nan 8.280 nan 0.000 0.638 26 G N 1.949 110.788 108.800 0.065 0.000 2.622 26 G HA2 -0.435 3.517 3.960 -0.013 0.000 0.307 26 G HA3 -0.435 3.517 3.960 -0.013 0.000 0.307 26 G C 0.958 175.882 174.900 0.039 0.000 1.226 26 G CA 0.796 45.918 45.100 0.035 0.000 0.997 26 G HN 0.542 nan 8.290 nan 0.000 0.551 27 D N 0.642 121.064 120.400 0.036 0.000 2.325 27 D HA 0.177 4.809 4.640 -0.013 0.000 0.225 27 D C 0.711 177.031 176.300 0.034 0.000 1.096 27 D CA 0.478 54.494 54.000 0.027 0.000 0.844 27 D CB 0.235 41.045 40.800 0.018 0.000 0.925 27 D HN 0.335 nan 8.370 nan 0.000 0.513 28 K N 1.584 122.017 120.400 0.056 0.000 2.877 28 K HA 0.305 4.617 4.320 -0.013 0.000 0.176 28 K C -2.698 173.936 176.600 0.056 0.000 1.075 28 K CA -1.372 54.947 56.287 0.052 0.000 0.939 28 K CB 1.567 34.101 32.500 0.057 0.000 1.237 28 K HN 0.185 nan 8.250 nan 0.000 0.607 29 P HA 0.099 nan 4.420 nan 0.000 0.277 29 P C 0.189 177.434 177.300 -0.092 0.000 1.240 29 P CA -0.308 62.795 63.100 0.005 0.000 0.798 29 P CB 0.824 32.528 31.700 0.008 0.000 0.979 30 S N 1.859 117.437 115.700 -0.203 0.000 2.589 30 S HA 0.217 4.679 4.470 -0.013 0.000 0.265 30 S C -1.513 172.889 174.600 -0.329 0.000 1.342 30 S CA -0.684 57.268 58.200 -0.414 0.000 1.005 30 S CB -0.277 62.570 63.200 -0.588 0.000 0.909 30 S HN 0.368 nan 8.310 nan 0.000 0.555 31 P HA 0.204 nan 4.420 nan 0.000 0.245 31 P C -0.060 177.142 177.300 -0.164 0.000 1.212 31 P CA -0.084 62.879 63.100 -0.229 0.000 0.774 31 P CB -0.096 31.493 31.700 -0.186 0.000 0.999 32 L N 0.122 121.215 121.223 -0.216 0.000 2.467 32 L HA 0.109 4.441 4.340 -0.013 0.000 0.270 32 L C 0.691 177.586 176.870 0.041 0.000 1.205 32 L CA 0.329 55.129 54.840 -0.066 0.000 0.828 32 L CB -0.169 41.849 42.059 -0.070 0.000 1.101 32 L HN -0.121 nan 8.230 nan 0.000 0.479 33 L N 2.008 123.298 121.223 0.111 0.000 2.354 33 L HA 0.691 5.023 4.340 -0.013 0.000 0.269 33 L C -0.017 176.956 176.870 0.171 0.000 1.005 33 L CA -0.971 53.955 54.840 0.142 0.000 0.819 33 L CB 1.692 43.842 42.059 0.152 0.000 1.311 33 L HN 0.679 nan 8.230 nan 0.000 0.423 34 A N 0.705 123.632 122.820 0.178 0.000 2.440 34 A HA 0.150 4.462 4.320 -0.013 0.000 0.251 34 A C 0.452 178.143 177.584 0.178 0.000 1.089 34 A CA -0.313 51.828 52.037 0.174 0.000 0.779 34 A CB 0.137 19.244 19.000 0.179 0.000 1.022 34 A HN 0.846 nan 8.150 nan 0.000 0.492 35 D N 1.453 121.955 120.400 0.170 0.000 2.178 35 D HA 0.082 4.714 4.640 -0.013 0.000 0.201 35 D C 0.996 177.490 176.300 0.323 0.000 0.980 35 D CA 2.096 56.230 54.000 0.223 0.000 0.842 35 D CB 0.038 40.977 40.800 0.232 0.000 0.948 35 D HN 0.707 nan 8.370 nan 0.000 0.472 36 G N -1.048 107.909 108.800 0.262 0.000 2.620 36 G HA2 0.559 4.511 3.960 -0.013 0.000 0.301 36 G HA3 0.559 4.511 3.960 -0.013 0.000 0.301 36 G C -1.473 173.520 174.900 0.155 0.000 1.347 36 G CA -0.408 44.872 45.100 0.300 0.000 0.971 36 G HN -0.048 nan 8.290 nan 0.000 0.488 37 V N 1.392 121.382 119.914 0.127 0.000 2.686 37 V HA 0.309 4.421 4.120 -0.013 0.000 0.306 37 V C -1.064 175.018 176.094 -0.021 0.000 1.065 37 V CA -0.921 61.403 62.300 0.041 0.000 0.894 37 V CB 2.002 33.764 31.823 -0.102 0.000 1.004 37 V HN 0.824 nan 8.190 nan 0.000 0.424 38 D N 7.278 127.727 120.400 0.082 0.000 2.346 38 D HA 0.171 4.803 4.640 -0.013 0.000 0.260 38 D C -1.256 174.955 176.300 -0.147 0.000 1.252 38 D CA -1.776 52.125 54.000 -0.164 0.000 0.895 38 D CB 1.840 42.480 40.800 -0.266 0.000 1.097 38 D HN 0.270 nan 8.370 nan 0.000 0.489 39 P HA -0.069 nan 4.420 nan 0.000 0.234 39 P C 0.789 178.106 177.300 0.028 0.000 1.167 39 P CA 0.650 63.722 63.100 -0.048 0.000 0.763 39 P CB 0.429 32.148 31.700 0.030 0.000 0.835 40 R N -0.405 120.076 120.500 -0.031 0.000 2.128 40 R HA 0.055 4.387 4.340 -0.013 0.000 0.211 40 R C 2.177 178.473 176.300 -0.007 0.000 1.067 40 R CA 1.755 57.842 56.100 -0.021 0.000 1.010 40 R CB -0.566 29.703 30.300 -0.051 0.000 0.922 40 R HN 0.269 nan 8.270 nan 0.000 0.457 41 T N -4.041 110.506 114.554 -0.012 0.000 2.990 41 T HA 0.231 4.573 4.350 -0.013 0.000 0.249 41 T C 1.489 176.212 174.700 0.037 0.000 1.039 41 T CA 0.417 62.522 62.100 0.008 0.000 1.036 41 T CB 0.970 69.837 68.868 -0.001 0.000 0.994 41 T HN 0.315 nan 8.240 nan 0.000 0.489 42 G N 1.377 110.208 108.800 0.051 0.000 2.162 42 G HA2 -0.292 3.660 3.960 -0.013 0.000 0.260 42 G HA3 -0.292 3.660 3.960 -0.013 0.000 0.260 42 G C -0.007 174.950 174.900 0.094 0.000 0.976 42 G CA 0.280 45.431 45.100 0.084 0.000 0.655 42 G HN 0.865 nan 8.290 nan 0.000 0.533 43 Q N 1.058 120.915 119.800 0.094 0.000 2.271 43 Q HA 0.484 4.816 4.340 -0.013 0.000 0.273 43 Q C 0.622 176.746 176.000 0.207 0.000 1.051 43 Q CA 0.375 56.264 55.803 0.143 0.000 0.901 43 Q CB 0.263 29.081 28.738 0.134 0.000 1.174 43 Q HN 0.614 nan 8.270 nan 0.000 0.385 44 Q N 2.567 122.483 119.800 0.194 0.000 2.293 44 Q HA 0.258 4.590 4.340 -0.013 0.000 0.251 44 Q C -0.611 175.435 176.000 0.077 0.000 0.930 44 Q CA -0.746 55.156 55.803 0.165 0.000 0.893 44 Q CB 0.937 29.796 28.738 0.201 0.000 1.215 44 Q HN 0.649 nan 8.270 nan 0.000 0.425 45 L N 2.238 123.388 121.223 -0.122 0.000 2.513 45 L HA 0.044 4.376 4.340 -0.013 0.000 0.272 45 L C -0.581 176.143 176.870 -0.244 0.000 1.187 45 L CA 0.960 55.478 54.840 -0.535 0.000 0.895 45 L CB 0.299 41.819 42.059 -0.897 0.000 1.147 45 L HN 0.537 nan 8.230 nan 0.000 0.483 46 E N 4.794 124.881 120.200 -0.187 0.000 2.207 46 E HA 0.213 4.555 4.350 -0.013 0.000 0.270 46 E C -1.406 175.218 176.600 0.040 0.000 0.927 46 E CA -0.589 55.803 56.400 -0.012 0.000 0.799 46 E CB 1.330 31.048 29.700 0.031 0.000 1.172 46 E HN 0.619 nan 8.360 nan 0.000 0.404 47 W N 4.745 126.029 121.300 -0.026 0.000 2.351 47 W HA 0.383 5.035 4.660 -0.012 0.000 0.311 47 W C -1.129 175.341 176.519 -0.081 0.000 1.168 47 W CA -0.549 56.782 57.345 -0.023 0.000 1.200 47 W CB 0.607 30.021 29.460 -0.076 0.000 1.221 47 W HN 0.479 nan 8.180 nan 0.000 0.519 48 I N 7.030 127.277 120.570 -0.539 0.000 2.312 48 I HA 0.194 4.356 4.170 -0.013 0.000 0.290 48 I C -0.172 175.715 176.117 -0.382 0.000 1.008 48 I CA -0.626 60.401 61.300 -0.455 0.000 1.226 48 I CB 0.418 38.002 38.000 -0.694 0.000 1.371 48 I HN 0.109 nan 8.210 nan 0.000 0.468 49 F N 6.985 126.944 119.950 0.015 0.000 2.370 49 F HA 0.300 4.819 4.527 -0.014 0.000 0.319 49 F C -1.158 174.639 175.800 -0.005 0.000 1.129 49 F CA -1.479 56.577 58.000 0.092 0.000 1.109 49 F CB 0.176 39.242 39.000 0.110 0.000 1.262 49 F HN 0.324 nan 8.300 nan 0.000 0.534 50 P HA -0.193 nan 4.420 nan 0.000 0.217 50 P C 0.582 177.922 177.300 0.067 0.000 1.148 50 P CA 1.627 64.788 63.100 0.101 0.000 0.828 50 P CB -0.046 31.726 31.700 0.119 0.000 0.783 51 D N -2.392 118.060 120.400 0.087 0.000 2.349 51 D HA 0.096 4.728 4.640 -0.013 0.000 0.224 51 D C 1.396 177.715 176.300 0.032 0.000 1.029 51 D CA 0.710 54.737 54.000 0.045 0.000 0.879 51 D CB -0.913 39.906 40.800 0.033 0.000 0.906 51 D HN 0.239 nan 8.370 nan 0.000 0.528 52 G N 0.522 109.346 108.800 0.040 0.000 2.157 52 G HA2 -0.326 3.626 3.960 -0.013 0.000 0.239 52 G HA3 -0.326 3.626 3.960 -0.013 0.000 0.239 52 G C 0.254 175.179 174.900 0.041 0.000 0.982 52 G CA -0.069 45.038 45.100 0.012 0.000 0.650 52 G HN 0.591 nan 8.290 nan 0.000 0.527 53 R N 0.784 121.337 120.500 0.089 0.000 2.537 53 R HA 0.437 4.768 4.340 -0.013 0.000 0.280 53 R C 0.262 176.681 176.300 0.198 0.000 1.058 53 R CA -0.089 56.070 56.100 0.098 0.000 1.057 53 R CB 0.232 30.552 30.300 0.033 0.000 0.973 53 R HN 0.333 nan 8.270 nan 0.000 0.438 54 R N 2.779 123.360 120.500 0.135 0.000 2.295 54 R HA 0.406 4.738 4.340 -0.013 0.000 0.324 54 R C -0.917 175.495 176.300 0.187 0.000 0.968 54 R CA -0.657 55.537 56.100 0.158 0.000 0.837 54 R CB 2.049 32.390 30.300 0.068 0.000 1.133 54 R HN 0.583 nan 8.270 nan 0.000 0.450 55 A N 2.980 126.005 122.820 0.343 0.000 2.324 55 A HA 0.462 4.774 4.320 -0.013 0.000 0.330 55 A C -0.140 177.594 177.584 0.250 0.000 1.165 55 A CA -0.686 51.550 52.037 0.331 0.000 0.813 55 A CB 1.294 20.672 19.000 0.629 0.000 1.197 55 A HN 0.474 nan 8.150 nan 0.000 0.484 56 V N 3.164 123.153 119.914 0.126 0.000 2.455 56 V HA 0.121 4.233 4.120 -0.013 0.000 0.273 56 V C 0.183 176.378 176.094 0.169 0.000 1.045 56 V CA -0.228 62.132 62.300 0.101 0.000 0.976 56 V CB 0.808 32.658 31.823 0.044 0.000 0.993 56 V HN 0.754 nan 8.190 nan 0.000 0.475 57 L N 5.663 126.921 121.223 0.058 0.000 2.385 57 L HA 0.331 4.663 4.340 -0.013 0.000 0.281 57 L C 0.468 177.360 176.870 0.037 0.000 1.106 57 L CA 1.041 55.810 54.840 -0.118 0.000 0.856 57 L CB 0.904 42.761 42.059 -0.338 0.000 1.186 57 L HN 0.628 nan 8.230 nan 0.000 0.453 58 S N 5.010 120.820 115.700 0.182 0.000 2.622 58 S HA 0.407 4.869 4.470 -0.013 0.000 0.283 58 S C -0.599 174.161 174.600 0.267 0.000 1.197 58 S CA -0.715 57.608 58.200 0.206 0.000 1.146 58 S CB -0.248 63.066 63.200 0.191 0.000 1.007 58 S HN 0.736 nan 8.310 nan 0.000 0.478 59 N N 4.143 122.970 118.700 0.211 0.000 2.558 59 N HA 0.245 4.977 4.740 -0.013 0.000 0.242 59 N C 0.330 176.006 175.510 0.277 0.000 0.979 59 N CA -0.688 52.504 53.050 0.236 0.000 0.931 59 N CB 0.376 38.907 38.487 0.074 0.000 1.122 59 N HN 0.534 nan 8.380 nan 0.000 0.508 60 F N 3.073 123.142 119.950 0.198 0.000 2.269 60 F HA -0.141 4.378 4.527 -0.014 0.000 0.301 60 F C 2.300 178.158 175.800 0.097 0.000 1.082 60 F CA 1.428 59.498 58.000 0.117 0.000 1.360 60 F CB -0.303 38.585 39.000 -0.186 0.000 1.041 60 F HN 0.577 nan 8.300 nan 0.000 0.512 61 S N -0.190 115.487 115.700 -0.038 0.000 2.447 61 S HA 0.012 4.474 4.470 -0.013 0.000 0.233 61 S C 1.823 176.200 174.600 -0.371 0.000 1.006 61 S CA 0.566 58.402 58.200 -0.605 0.000 0.957 61 S CB -0.796 61.801 63.200 -1.004 0.000 0.773 61 S HN 0.301 nan 8.310 nan 0.000 0.507 62 A N 0.285 123.003 122.820 -0.169 0.000 2.411 62 A HA 0.410 4.722 4.320 -0.013 0.000 0.251 62 A C 1.330 178.890 177.584 -0.040 0.000 1.317 62 A CA -0.368 51.617 52.037 -0.087 0.000 0.904 62 A CB -0.193 18.798 19.000 -0.016 0.000 0.993 62 A HN 0.618 nan 8.150 nan 0.000 0.504 63 Q N -1.265 118.486 119.800 -0.082 0.000 2.103 63 Q HA 0.075 4.407 4.340 -0.013 0.000 0.219 63 Q C 0.740 176.679 176.000 -0.102 0.000 0.784 63 Q CA -0.190 55.602 55.803 -0.018 0.000 1.014 63 Q CB 0.416 29.238 28.738 0.139 0.000 1.183 63 Q HN 0.473 nan 8.270 nan 0.000 0.469 64 Q N 0.271 119.947 119.800 -0.207 0.000 2.369 64 Q HA -0.019 4.313 4.340 -0.013 0.000 0.206 64 Q C 0.806 176.725 176.000 -0.134 0.000 0.963 64 Q CA 0.968 56.645 55.803 -0.212 0.000 0.894 64 Q CB 0.083 28.653 28.738 -0.280 0.000 0.965 64 Q HN 0.448 nan 8.270 nan 0.000 0.475 65 N N 0.326 118.984 118.700 -0.070 0.000 2.171 65 N HA -0.113 4.619 4.740 -0.013 0.000 0.184 65 N C 1.659 177.090 175.510 -0.132 0.000 1.021 65 N CA 0.440 53.465 53.050 -0.041 0.000 0.854 65 N CB -0.065 38.513 38.487 0.151 0.000 0.994 65 N HN 0.043 nan 8.380 nan 0.000 0.426 66 L N 0.726 121.932 121.223 -0.027 0.000 2.012 66 L HA -0.102 4.230 4.340 -0.013 0.000 0.210 66 L C 1.845 178.718 176.870 0.004 0.000 1.073 66 L CA 1.563 56.414 54.840 0.019 0.000 0.748 66 L CB -0.404 41.713 42.059 0.096 0.000 0.891 66 L HN 0.186 nan 8.230 nan 0.000 0.431 67 M N -0.703 118.916 119.600 0.032 0.000 2.144 67 M HA -0.235 4.237 4.480 -0.013 0.000 0.260 67 M C 2.429 178.763 176.300 0.057 0.000 1.067 67 M CA 1.718 57.097 55.300 0.132 0.000 1.095 67 M CB -1.337 31.407 32.600 0.240 0.000 1.365 67 M HN 0.304 nan 8.290 nan 0.000 0.406 68 R N -0.647 119.686 120.500 -0.279 0.000 2.073 68 R HA -0.040 4.292 4.340 -0.013 0.000 0.229 68 R C 2.336 178.388 176.300 -0.413 0.000 1.120 68 R CA 0.952 56.697 56.100 -0.592 0.000 0.967 68 R CB -0.459 29.256 30.300 -0.976 0.000 0.862 68 R HN 0.188 nan 8.270 nan 0.000 0.436 69 V N 1.318 120.999 119.914 -0.388 0.000 2.343 69 V HA -0.292 3.820 4.120 -0.013 0.000 0.247 69 V C 2.292 178.329 176.094 -0.094 0.000 1.051 69 V CA 1.836 63.999 62.300 -0.227 0.000 1.036 69 V CB -0.341 31.413 31.823 -0.115 0.000 0.654 69 V HN 0.325 nan 8.190 nan 0.000 0.451 70 M N -0.489 119.098 119.600 -0.023 0.000 2.099 70 M HA -0.168 4.304 4.480 -0.013 0.000 0.262 70 M C 2.527 178.897 176.300 0.117 0.000 1.067 70 M CA 2.203 57.540 55.300 0.062 0.000 1.124 70 M CB -0.536 32.151 32.600 0.144 0.000 1.353 70 M HN 0.406 nan 8.290 nan 0.000 0.410 71 S N 0.232 116.016 115.700 0.141 0.000 2.368 71 S HA -0.107 4.355 4.470 -0.013 0.000 0.225 71 S C 1.955 176.628 174.600 0.122 0.000 1.030 71 S CA 1.663 59.972 58.200 0.183 0.000 0.999 71 S CB -0.668 62.723 63.200 0.319 0.000 0.844 71 S HN 0.584 nan 8.310 nan 0.000 0.459 72 G N 1.547 110.378 108.800 0.051 0.000 2.418 72 G HA2 -0.136 3.815 3.960 -0.013 0.000 0.217 72 G HA3 -0.136 3.815 3.960 -0.013 0.000 0.217 72 G C 1.383 176.302 174.900 0.032 0.000 1.158 72 G CA 1.065 46.187 45.100 0.036 0.000 0.771 72 G HN 0.513 nan 8.290 nan 0.000 0.545 73 L N 1.216 122.435 121.223 -0.006 0.000 2.017 73 L HA -0.004 4.328 4.340 -0.013 0.000 0.208 73 L C 2.871 179.778 176.870 0.062 0.000 1.073 73 L CA 2.448 57.261 54.840 -0.044 0.000 0.745 73 L CB -0.866 41.050 42.059 -0.239 0.000 0.894 73 L HN 0.166 nan 8.230 nan 0.000 0.432 74 S N -0.681 115.114 115.700 0.157 0.000 2.370 74 S HA -0.206 4.256 4.470 -0.013 0.000 0.226 74 S C 1.854 176.534 174.600 0.133 0.000 1.033 74 S CA 1.304 59.629 58.200 0.207 0.000 1.011 74 S CB -0.286 63.041 63.200 0.212 0.000 0.852 74 S HN 0.547 nan 8.310 nan 0.000 0.457 75 Q N 0.686 120.552 119.800 0.110 0.000 2.079 75 Q HA 0.038 4.370 4.340 -0.013 0.000 0.200 75 Q C 2.296 178.342 176.000 0.077 0.000 0.974 75 Q CA 1.046 56.904 55.803 0.092 0.000 0.840 75 Q CB -0.562 28.232 28.738 0.093 0.000 0.898 75 Q HN 0.503 nan 8.270 nan 0.000 0.430 76 L N 0.601 121.864 121.223 0.068 0.000 2.044 76 L HA -0.120 4.212 4.340 -0.013 0.000 0.205 76 L C 2.562 179.466 176.870 0.056 0.000 1.075 76 L CA 1.442 56.314 54.840 0.054 0.000 0.747 76 L CB -0.551 41.531 42.059 0.039 0.000 0.903 76 L HN 0.225 nan 8.230 nan 0.000 0.435 77 S N -0.648 115.092 115.700 0.067 0.000 2.436 77 S HA 0.010 4.472 4.470 -0.013 0.000 0.228 77 S C 1.724 176.373 174.600 0.083 0.000 1.014 77 S CA 0.684 58.930 58.200 0.077 0.000 0.950 77 S CB 0.032 63.296 63.200 0.108 0.000 0.784 77 S HN 0.555 nan 8.310 nan 0.000 0.504 78 G N 1.187 110.040 108.800 0.089 0.000 2.179 78 G HA2 -0.252 3.700 3.960 -0.013 0.000 0.260 78 G HA3 -0.252 3.700 3.960 -0.013 0.000 0.260 78 G C -0.206 174.743 174.900 0.082 0.000 0.977 78 G CA 0.246 45.392 45.100 0.077 0.000 0.641 78 G HN 0.672 nan 8.290 nan 0.000 0.533 79 D N 1.118 121.588 120.400 0.118 0.000 2.336 79 D HA 0.410 5.042 4.640 -0.013 0.000 0.249 79 D C -0.668 175.684 176.300 0.087 0.000 1.213 79 D CA -1.826 52.234 54.000 0.101 0.000 0.870 79 D CB 1.373 42.282 40.800 0.182 0.000 1.076 79 D HN 0.207 nan 8.370 nan 0.000 0.483 80 P HA 0.090 nan 4.420 nan 0.000 0.249 80 P C 1.084 178.359 177.300 -0.043 0.000 1.229 80 P CA 0.080 63.194 63.100 0.024 0.000 0.788 80 P CB 0.471 32.183 31.700 0.020 0.000 1.072 81 R N -0.632 119.751 120.500 -0.194 0.000 2.081 81 R HA -0.142 4.190 4.340 -0.013 0.000 0.235 81 R C 2.111 178.251 176.300 -0.267 0.000 1.131 81 R CA 1.646 57.562 56.100 -0.307 0.000 0.960 81 R CB -0.781 29.222 30.300 -0.495 0.000 0.856 81 R HN 0.271 nan 8.270 nan 0.000 0.436 82 Y N 0.337 120.660 120.300 0.039 0.000 2.184 82 Y HA -0.197 4.345 4.550 -0.014 0.000 0.290 82 Y C 2.637 178.574 175.900 0.062 0.000 1.129 82 Y CA 1.181 59.309 58.100 0.046 0.000 1.144 82 Y CB -0.717 37.770 38.460 0.046 0.000 0.995 82 Y HN 0.038 nan 8.280 nan 0.000 0.513 83 Q N 1.381 121.307 119.800 0.211 0.000 2.077 83 Q HA -0.270 4.062 4.340 -0.013 0.000 0.206 83 Q C 2.155 178.217 176.000 0.105 0.000 0.989 83 Q CA 2.357 58.252 55.803 0.153 0.000 0.853 83 Q CB -0.203 28.615 28.738 0.132 0.000 0.907 83 Q HN 0.315 nan 8.270 nan 0.000 0.418 84 K N -0.291 120.147 120.400 0.063 0.000 2.057 84 K HA -0.178 4.134 4.320 -0.013 0.000 0.207 84 K C 2.030 178.657 176.600 0.046 0.000 1.049 84 K CA 1.580 57.892 56.287 0.041 0.000 0.931 84 K CB -0.266 32.239 32.500 0.008 0.000 0.714 84 K HN 0.129 nan 8.250 nan 0.000 0.440 85 R N 0.504 121.032 120.500 0.047 0.000 2.075 85 R HA 0.089 4.421 4.340 -0.013 0.000 0.232 85 R C 2.012 178.363 176.300 0.085 0.000 1.126 85 R CA 1.769 57.901 56.100 0.053 0.000 0.963 85 R CB -1.055 29.279 30.300 0.056 0.000 0.858 85 R HN 0.281 nan 8.270 nan 0.000 0.435 86 A N 0.681 123.577 122.820 0.127 0.000 1.917 86 A HA -0.215 4.097 4.320 -0.013 0.000 0.219 86 A C 2.045 179.710 177.584 0.134 0.000 1.182 86 A CA 1.926 54.062 52.037 0.165 0.000 0.633 86 A CB -0.595 18.523 19.000 0.196 0.000 0.819 86 A HN 0.570 nan 8.150 nan 0.000 0.448 87 E N -0.440 119.820 120.200 0.100 0.000 2.077 87 E HA -0.179 4.163 4.350 -0.013 0.000 0.193 87 E C 1.496 178.134 176.600 0.063 0.000 0.989 87 E CA 1.120 57.568 56.400 0.079 0.000 0.800 87 E CB -0.182 29.561 29.700 0.072 0.000 0.746 87 E HN 0.537 nan 8.360 nan 0.000 0.452 88 D N 0.555 120.987 120.400 0.054 0.000 2.144 88 D HA -0.119 4.513 4.640 -0.013 0.000 0.199 88 D C 1.933 178.252 176.300 0.033 0.000 0.984 88 D CA 0.809 54.836 54.000 0.045 0.000 0.834 88 D CB -0.107 40.710 40.800 0.028 0.000 0.955 88 D HN 0.198 nan 8.370 nan 0.000 0.465 89 I N 0.268 120.839 120.570 0.001 0.000 2.252 89 I HA -0.211 3.951 4.170 -0.013 0.000 0.245 89 I C 2.379 178.385 176.117 -0.185 0.000 1.102 89 I CA 0.501 61.753 61.300 -0.080 0.000 1.385 89 I CB -0.142 37.805 38.000 -0.088 0.000 1.064 89 I HN -0.115 nan 8.210 nan 0.000 0.414 90 V N 0.858 120.680 119.914 -0.153 0.000 2.287 90 V HA -0.320 3.792 4.120 -0.013 0.000 0.248 90 V C 2.644 178.576 176.094 -0.270 0.000 1.053 90 V CA 2.067 64.213 62.300 -0.256 0.000 1.027 90 V CB -0.781 30.997 31.823 -0.076 0.000 0.646 90 V HN 0.409 nan 8.190 nan 0.000 0.447 91 R N -1.375 119.109 120.500 -0.028 0.000 2.096 91 R HA -0.219 4.113 4.340 -0.013 0.000 0.235 91 R C 2.338 178.675 176.300 0.062 0.000 1.127 91 R CA 2.023 58.174 56.100 0.085 0.000 0.968 91 R CB -0.386 29.974 30.300 0.101 0.000 0.861 91 R HN 0.625 nan 8.270 nan 0.000 0.440 92 Y N 0.188 120.435 120.300 -0.089 0.000 2.242 92 Y HA -0.217 4.325 4.550 -0.013 0.000 0.291 92 Y C 2.250 178.026 175.900 -0.206 0.000 1.137 92 Y CA 1.740 59.758 58.100 -0.138 0.000 1.181 92 Y CB -0.040 38.342 38.460 -0.130 0.000 0.989 92 Y HN 0.211 nan 8.280 nan 0.000 0.527 93 H N -1.458 117.576 119.070 -0.060 0.000 2.353 93 H HA -0.170 4.378 4.556 -0.014 0.000 0.300 93 H C 1.996 177.243 175.328 -0.135 0.000 1.090 93 H CA 1.919 57.913 56.048 -0.090 0.000 1.327 93 H CB -0.410 29.144 29.762 -0.346 0.000 1.383 93 H HN 0.339 nan 8.280 nan 0.000 0.508 94 F N 1.189 121.134 119.950 -0.008 0.000 2.171 94 F HA -0.155 4.365 4.527 -0.012 0.000 0.300 94 F C 2.804 178.519 175.800 -0.141 0.000 1.090 94 F CA 1.143 59.098 58.000 -0.074 0.000 1.293 94 F CB -0.662 38.305 39.000 -0.055 0.000 1.013 94 F HN 0.155 nan 8.300 nan 0.000 0.486 95 Q N 0.339 120.122 119.800 -0.028 0.000 2.083 95 Q HA -0.085 4.247 4.340 -0.013 0.000 0.198 95 Q C 1.498 177.300 176.000 -0.331 0.000 0.969 95 Q CA 1.828 57.521 55.803 -0.183 0.000 0.838 95 Q CB -0.183 28.404 28.738 -0.252 0.000 0.900 95 Q HN 0.276 nan 8.270 nan 0.000 0.436 96 N N -1.797 116.573 118.700 -0.551 0.000 2.382 96 N HA 0.040 4.772 4.740 -0.013 0.000 0.200 96 N C -0.145 174.958 175.510 -0.678 0.000 1.122 96 N CA 0.338 52.909 53.050 -0.798 0.000 0.870 96 N CB 0.511 38.159 38.487 -1.398 0.000 1.176 96 N HN 0.228 nan 8.380 nan 0.000 0.474 97 Y N 1.064 121.319 120.300 -0.075 0.000 2.720 97 Y HA 0.376 4.917 4.550 -0.014 0.000 0.268 97 Y C 0.162 175.898 175.900 -0.272 0.000 1.142 97 Y CA -0.517 57.592 58.100 0.016 0.000 1.193 97 Y CB 0.201 38.705 38.460 0.074 0.000 1.176 97 Y HN -0.092 nan 8.280 nan 0.000 0.542 98 Q N 1.279 121.013 119.800 -0.110 0.000 2.333 98 Q HA 0.261 4.593 4.340 -0.013 0.000 0.265 98 Q C -1.004 174.914 176.000 -0.136 0.000 0.989 98 Q CA -0.750 54.977 55.803 -0.126 0.000 0.842 98 Q CB 1.121 29.901 28.738 0.070 0.000 1.262 98 Q HN 0.200 nan 8.270 nan 0.000 0.451 99 D N 4.098 124.387 120.400 -0.185 0.000 2.390 99 D HA 0.009 4.641 4.640 -0.013 0.000 0.236 99 D C -1.637 174.676 176.300 0.022 0.000 1.189 99 D CA -1.331 52.657 54.000 -0.020 0.000 0.887 99 D CB 1.104 41.978 40.800 0.123 0.000 1.198 99 D HN 0.399 nan 8.370 nan 0.000 0.444 100 P HA -0.118 nan 4.420 nan 0.000 0.219 100 P C 1.021 178.333 177.300 0.020 0.000 1.146 100 P CA 1.141 64.256 63.100 0.024 0.000 0.808 100 P CB 0.038 31.756 31.700 0.030 0.000 0.779 101 S N -1.692 114.032 115.700 0.040 0.000 2.481 101 S HA 0.099 4.561 4.470 -0.013 0.000 0.231 101 S C 1.781 176.381 174.600 0.001 0.000 0.996 101 S CA 1.064 59.276 58.200 0.020 0.000 0.942 101 S CB -1.206 62.014 63.200 0.034 0.000 0.768 101 S HN 0.291 nan 8.310 nan 0.000 0.520 102 G N 0.408 109.220 108.800 0.020 0.000 2.213 102 G HA2 -0.193 3.759 3.960 -0.013 0.000 0.226 102 G HA3 -0.193 3.759 3.960 -0.013 0.000 0.226 102 G C -0.025 174.945 174.900 0.117 0.000 0.992 102 G CA 0.021 45.147 45.100 0.043 0.000 0.632 102 G HN 0.522 nan 8.290 nan 0.000 0.511 103 L N 1.339 122.597 121.223 0.058 0.000 2.426 103 L HA 0.477 4.809 4.340 -0.013 0.000 0.271 103 L C 1.145 178.097 176.870 0.137 0.000 1.169 103 L CA -0.411 54.480 54.840 0.085 0.000 0.836 103 L CB 0.673 42.617 42.059 -0.192 0.000 1.112 103 L HN 0.102 nan 8.230 nan 0.000 0.465 104 L N 2.198 123.485 121.223 0.107 0.000 2.379 104 L HA 0.214 4.546 4.340 -0.013 0.000 0.269 104 L C -0.633 176.295 176.870 0.096 0.000 1.084 104 L CA -0.733 53.962 54.840 -0.241 0.000 0.802 104 L CB 0.588 42.041 42.059 -1.009 0.000 1.175 104 L HN 0.372 nan 8.230 nan 0.000 0.448 105 Y N 1.918 122.369 120.300 0.251 0.000 2.532 105 Y HA 0.087 4.629 4.550 -0.013 0.000 0.337 105 Y C -0.089 176.023 175.900 0.354 0.000 1.274 105 Y CA -0.715 57.530 58.100 0.242 0.000 1.817 105 Y CB -0.739 37.750 38.460 0.048 0.000 1.769 105 Y HN 0.429 nan 8.280 nan 0.000 0.447 106 W N -0.527 120.988 121.300 0.359 0.000 2.874 106 W HA 0.789 5.441 4.660 -0.014 0.000 0.403 106 W C 0.133 176.686 176.519 0.056 0.000 1.144 106 W CA -1.427 56.029 57.345 0.186 0.000 1.175 106 W CB 0.410 29.949 29.460 0.132 0.000 1.483 106 W HN 0.649 nan 8.180 nan 0.000 0.591 107 G N 0.059 108.788 108.800 -0.119 0.000 2.512 107 G HA2 0.203 4.155 3.960 -0.013 0.000 0.210 107 G HA3 0.203 4.155 3.960 -0.013 0.000 0.210 107 G C 0.649 175.215 174.900 -0.557 0.000 1.295 107 G CA 0.612 45.428 45.100 -0.474 0.000 0.934 107 G HN 1.756 nan 8.290 nan 0.000 0.554 108 G N -1.801 106.516 108.800 -0.806 0.000 2.443 108 G HA2 0.150 4.102 3.960 -0.013 0.000 0.219 108 G HA3 0.150 4.102 3.960 -0.013 0.000 0.219 108 G C 1.001 175.257 174.900 -1.073 0.000 1.131 108 G CA 1.877 46.100 45.100 -1.463 0.000 0.775 108 G HN 0.865 nan 8.290 nan 0.000 0.547 109 H N -0.964 117.949 119.070 -0.261 0.000 3.230 109 H HA 0.315 4.863 4.556 -0.014 0.000 0.259 109 H C 0.150 175.461 175.328 -0.030 0.000 1.195 109 H CA -0.191 55.774 56.048 -0.137 0.000 1.112 109 H CB 1.052 30.738 29.762 -0.126 0.000 1.638 109 H HN 0.116 nan 8.280 nan 0.000 0.624 110 R N 0.828 121.401 120.500 0.122 0.000 2.725 110 R HA 0.441 4.773 4.340 -0.013 0.000 0.277 110 R C -0.728 175.706 176.300 0.223 0.000 0.987 110 R CA -0.730 55.449 56.100 0.132 0.000 0.901 110 R CB 2.155 32.608 30.300 0.256 0.000 1.207 110 R HN 0.097 nan 8.270 nan 0.000 0.463 111 F N -2.055 117.892 119.950 -0.005 0.000 2.869 111 F HA 0.749 5.268 4.527 -0.013 0.000 0.325 111 F C -1.248 174.525 175.800 -0.044 0.000 1.184 111 F CA -1.250 56.754 58.000 0.007 0.000 0.951 111 F CB 1.016 39.990 39.000 -0.042 0.000 1.421 111 F HN 0.047 nan 8.300 nan 0.000 0.501 112 V N 1.256 121.252 119.914 0.137 0.000 2.459 112 V HA 0.288 4.400 4.120 -0.013 0.000 0.295 112 V C -1.059 175.114 176.094 0.131 0.000 1.029 112 V CA -0.527 61.705 62.300 -0.113 0.000 0.874 112 V CB 1.343 32.913 31.823 -0.421 0.000 0.985 112 V HN 0.752 nan 8.190 nan 0.000 0.438 113 D N 3.275 123.684 120.400 0.016 0.000 2.358 113 D HA 0.072 4.703 4.640 -0.013 0.000 0.258 113 D C 0.687 177.036 176.300 0.081 0.000 1.223 113 D CA -0.174 53.895 54.000 0.116 0.000 0.886 113 D CB 1.421 42.236 40.800 0.025 0.000 1.120 113 D HN 0.369 nan 8.370 nan 0.000 0.482 114 L N 4.762 126.044 121.223 0.099 0.000 2.201 114 L HA -0.067 4.265 4.340 -0.013 0.000 0.212 114 L C 1.886 178.825 176.870 0.115 0.000 1.105 114 L CA 1.682 56.602 54.840 0.132 0.000 0.775 114 L CB -0.214 41.970 42.059 0.209 0.000 0.913 114 L HN 0.394 nan 8.230 nan 0.000 0.440 115 K N -1.284 119.011 120.400 -0.175 0.000 2.007 115 K HA -0.066 4.246 4.320 -0.013 0.000 0.206 115 K C 1.810 178.423 176.600 0.022 0.000 1.047 115 K CA 1.858 57.958 56.287 -0.311 0.000 0.937 115 K CB -0.322 31.890 32.500 -0.480 0.000 0.718 115 K HN 0.503 nan 8.250 nan 0.000 0.438 116 T N -1.408 113.168 114.554 0.038 0.000 3.037 116 T HA 0.184 4.526 4.350 -0.013 0.000 0.251 116 T C 0.959 175.752 174.700 0.155 0.000 1.079 116 T CA -0.085 62.064 62.100 0.082 0.000 1.067 116 T CB -0.188 68.675 68.868 -0.008 0.000 0.948 116 T HN 0.221 nan 8.240 nan 0.000 0.496 117 L N -0.424 120.894 121.223 0.157 0.000 4.429 117 L HA -0.176 4.156 4.340 -0.013 0.000 0.422 117 L C -0.271 176.712 176.870 0.188 0.000 1.149 117 L CA 0.332 55.281 54.840 0.182 0.000 0.972 117 L CB -1.899 40.276 42.059 0.193 0.000 2.059 117 L HN 0.417 nan 8.230 nan 0.000 0.870 118 Q N 0.054 119.886 119.800 0.054 0.000 2.222 118 Q HA 0.496 4.828 4.340 -0.013 0.000 0.252 118 Q C -2.103 173.808 176.000 -0.148 0.000 0.926 118 Q CA -1.949 53.847 55.803 -0.013 0.000 0.899 118 Q CB 1.072 29.761 28.738 -0.082 0.000 1.250 118 Q HN -0.082 nan 8.270 nan 0.000 0.441 119 P HA 0.040 nan 4.420 nan 0.000 0.269 119 P C -0.456 176.566 177.300 -0.464 0.000 1.209 119 P CA 0.239 63.090 63.100 -0.415 0.000 0.776 119 P CB 0.744 32.013 31.700 -0.719 0.000 0.876 120 E N 0.697 120.535 120.200 -0.603 0.000 2.263 120 E HA 0.609 4.951 4.350 -0.013 0.000 0.264 120 E C -0.075 176.223 176.600 -0.502 0.000 0.923 120 E CA -0.800 55.206 56.400 -0.656 0.000 0.802 120 E CB 2.322 31.344 29.700 -1.131 0.000 1.228 120 E HN 0.486 nan 8.360 nan 0.000 0.417 121 G N 2.219 110.866 108.800 -0.256 0.000 3.003 121 G HA2 0.326 4.278 3.960 -0.013 0.000 0.293 121 G HA3 0.326 4.278 3.960 -0.013 0.000 0.293 121 G C -1.938 172.990 174.900 0.046 0.000 1.553 121 G CA -1.137 43.898 45.100 -0.107 0.000 1.078 121 G HN 0.203 nan 8.290 nan 0.000 0.550 122 P HA 0.029 nan 4.420 nan 0.000 0.237 122 P C 0.610 177.940 177.300 0.050 0.000 1.178 122 P CA 0.400 63.443 63.100 -0.094 0.000 0.766 122 P CB 0.834 32.119 31.700 -0.691 0.000 0.876 123 S N 0.611 116.338 115.700 0.045 0.000 2.601 123 S HA 0.167 4.629 4.470 -0.013 0.000 0.312 123 S C 1.185 175.792 174.600 0.011 0.000 1.107 123 S CA -0.631 57.593 58.200 0.040 0.000 1.129 123 S CB 0.376 63.566 63.200 -0.017 0.000 0.982 123 S HN 0.032 nan 8.310 nan 0.000 0.469 124 E N 3.702 123.931 120.200 0.047 0.000 2.150 124 E HA -0.135 4.207 4.350 -0.013 0.000 0.193 124 E C 0.875 177.482 176.600 0.012 0.000 0.985 124 E CA 0.934 57.356 56.400 0.037 0.000 0.814 124 E CB -0.070 29.663 29.700 0.055 0.000 0.752 124 E HN 0.580 nan 8.360 nan 0.000 0.466 125 K N 0.652 121.055 120.400 0.006 0.000 2.444 125 K HA 0.086 4.398 4.320 -0.013 0.000 0.193 125 K C 0.097 176.682 176.600 -0.025 0.000 1.024 125 K CA 0.273 56.562 56.287 0.003 0.000 1.077 125 K CB 0.420 32.931 32.500 0.019 0.000 0.833 125 K HN 0.098 nan 8.250 nan 0.000 0.517 126 E N 1.022 121.167 120.200 -0.093 0.000 3.898 126 E HA 0.176 4.518 4.350 -0.013 0.000 0.219 126 E C -0.830 175.666 176.600 -0.174 0.000 1.207 126 E CA -0.090 56.174 56.400 -0.226 0.000 1.240 126 E CB 0.740 30.106 29.700 -0.556 0.000 1.239 126 E HN 0.109 nan 8.360 nan 0.000 0.422 127 M N 2.531 122.112 119.600 -0.031 0.000 3.436 127 M HA 0.145 4.617 4.480 -0.013 0.000 0.240 127 M C -0.259 176.164 176.300 0.205 0.000 1.469 127 M CA -0.188 55.146 55.300 0.056 0.000 1.622 127 M CB -0.435 32.186 32.600 0.035 0.000 1.098 127 M HN 0.112 nan 8.290 nan 0.000 0.568 128 V N -3.279 116.766 119.914 0.218 0.000 3.160 128 V HA 0.532 4.644 4.120 -0.013 0.000 0.310 128 V C -0.771 175.536 176.094 0.354 0.000 1.181 128 V CA -1.018 61.426 62.300 0.240 0.000 1.047 128 V CB 2.140 33.932 31.823 -0.050 0.000 1.068 128 V HN 0.499 nan 8.190 nan 0.000 0.441 129 H N 1.520 120.634 119.070 0.073 0.000 2.517 129 H HA 0.631 5.180 4.556 -0.012 0.000 0.317 129 H C -0.949 174.570 175.328 0.319 0.000 1.080 129 H CA 0.144 56.290 56.048 0.164 0.000 1.301 129 H CB 1.460 31.212 29.762 -0.016 0.000 1.425 129 H HN 0.991 nan 8.280 nan 0.000 0.471 130 E N 5.774 125.884 120.200 -0.150 0.000 2.290 130 E HA 0.359 4.701 4.350 -0.013 0.000 0.274 130 E C -1.742 174.665 176.600 -0.321 0.000 0.889 130 E CA -0.712 55.668 56.400 -0.032 0.000 0.760 130 E CB 1.607 31.376 29.700 0.115 0.000 1.206 130 E HN 0.555 nan 8.360 nan 0.000 0.419 131 L N 4.338 125.439 121.223 -0.203 0.000 2.406 131 L HA 0.510 4.842 4.340 -0.013 0.000 0.272 131 L C -0.601 176.227 176.870 -0.069 0.000 0.980 131 L CA -0.724 53.978 54.840 -0.230 0.000 0.831 131 L CB 1.872 43.733 42.059 -0.330 0.000 1.253 131 L HN 0.405 nan 8.230 nan 0.000 0.406 132 K N 4.287 124.655 120.400 -0.053 0.000 2.521 132 K HA 0.275 4.587 4.320 -0.013 0.000 0.248 132 K C -0.371 176.072 176.600 -0.262 0.000 0.978 132 K CA -0.463 55.758 56.287 -0.109 0.000 0.947 132 K CB 0.581 33.028 32.500 -0.089 0.000 1.165 132 K HN 0.627 nan 8.250 nan 0.000 0.445 133 N N 2.125 120.570 118.700 -0.425 0.000 2.721 133 N HA -0.250 4.482 4.740 -0.013 0.000 0.249 133 N C 0.344 175.388 175.510 -0.777 0.000 1.072 133 N CA 1.041 53.615 53.050 -0.794 0.000 0.710 133 N CB -1.184 37.017 38.487 -0.476 0.000 0.993 133 N HN 0.690 nan 8.380 nan 0.000 0.547 134 A N -0.471 121.976 122.820 -0.621 0.000 1.898 134 A HA 0.008 4.320 4.320 -0.013 0.000 0.214 134 A C 0.316 177.675 177.584 -0.375 0.000 1.183 134 A CA 0.815 52.582 52.037 -0.451 0.000 0.622 134 A CB -0.367 18.358 19.000 -0.457 0.000 0.824 134 A HN 0.389 nan 8.150 nan 0.000 0.444 135 Y N -1.599 118.597 120.300 -0.172 0.000 2.980 135 Y HA -0.122 4.420 4.550 -0.014 0.000 0.199 135 Y C -2.299 173.493 175.900 -0.180 0.000 1.319 135 Y CA -0.307 57.664 58.100 -0.215 0.000 0.877 135 Y CB -2.832 35.308 38.460 -0.533 0.000 1.259 135 Y HN 0.265 nan 8.280 nan 0.000 0.437 136 P HA -0.045 nan 4.420 nan 0.000 0.269 136 P C 0.245 177.394 177.300 -0.251 0.000 1.217 136 P CA -0.101 62.765 63.100 -0.390 0.000 0.783 136 P CB 0.467 31.816 31.700 -0.585 0.000 0.898 137 Y N 1.837 121.982 120.300 -0.258 0.000 2.734 137 Y HA -0.004 4.538 4.550 -0.013 0.000 0.353 137 Y C 0.487 176.391 175.900 0.007 0.000 1.244 137 Y CA -0.492 57.574 58.100 -0.057 0.000 1.950 137 Y CB -0.496 37.942 38.460 -0.037 0.000 2.028 137 Y HN 0.366 nan 8.280 nan 0.000 0.421 138 Y N 0.167 120.657 120.300 0.317 0.000 2.333 138 Y HA -0.284 4.259 4.550 -0.012 0.000 0.290 138 Y C 1.966 177.927 175.900 0.101 0.000 1.144 138 Y CA 0.881 59.075 58.100 0.158 0.000 1.228 138 Y CB -0.357 38.242 38.460 0.233 0.000 0.985 138 Y HN 0.507 nan 8.280 nan 0.000 0.542 139 D N -0.102 120.448 120.400 0.249 0.000 2.104 139 D HA -0.174 4.458 4.640 -0.013 0.000 0.194 139 D C 2.258 178.484 176.300 -0.123 0.000 0.994 139 D CA 1.202 55.283 54.000 0.135 0.000 0.830 139 D CB -0.468 40.510 40.800 0.296 0.000 0.959 139 D HN 0.288 nan 8.370 nan 0.000 0.452 140 L N 0.629 121.501 121.223 -0.585 0.000 2.017 140 L HA -0.144 4.188 4.340 -0.013 0.000 0.208 140 L C 2.400 179.201 176.870 -0.114 0.000 1.073 140 L CA 1.530 56.090 54.840 -0.467 0.000 0.745 140 L CB -0.510 41.104 42.059 -0.742 0.000 0.894 140 L HN -0.032 nan 8.230 nan 0.000 0.432 141 M N -1.707 117.861 119.600 -0.053 0.000 2.065 141 M HA -0.251 4.221 4.480 -0.013 0.000 0.259 141 M C 2.241 178.585 176.300 0.074 0.000 1.069 141 M CA 1.936 57.282 55.300 0.077 0.000 1.110 141 M CB -0.627 32.046 32.600 0.121 0.000 1.328 141 M HN 0.174 nan 8.290 nan 0.000 0.405 142 F N 0.825 120.773 119.950 -0.003 0.000 2.202 142 F HA -0.239 4.279 4.527 -0.015 0.000 0.301 142 F C 3.015 178.808 175.800 -0.012 0.000 1.082 142 F CA 1.825 59.772 58.000 -0.088 0.000 1.313 142 F CB -1.007 37.726 39.000 -0.445 0.000 1.024 142 F HN 0.288 nan 8.300 nan 0.000 0.495 143 S N -0.853 114.949 115.700 0.170 0.000 2.423 143 S HA -0.101 4.361 4.470 -0.013 0.000 0.231 143 S C 1.950 176.620 174.600 0.116 0.000 1.014 143 S CA 1.311 59.590 58.200 0.132 0.000 0.965 143 S CB -0.898 62.355 63.200 0.088 0.000 0.785 143 S HN 0.137 nan 8.310 nan 0.000 0.495 144 V N 1.151 121.143 119.914 0.130 0.000 2.374 144 V HA 0.179 4.291 4.120 -0.013 0.000 0.241 144 V C 0.554 176.737 176.094 0.147 0.000 1.034 144 V CA 1.418 63.806 62.300 0.147 0.000 1.037 144 V CB -0.350 31.584 31.823 0.185 0.000 0.682 144 V HN 0.522 nan 8.190 nan 0.000 0.463 145 D N -1.517 118.976 120.400 0.155 0.000 2.319 145 D HA 0.198 4.830 4.640 -0.013 0.000 0.237 145 D C 0.718 176.967 176.300 -0.085 0.000 1.353 145 D CA 0.217 54.220 54.000 0.006 0.000 0.992 145 D CB 1.677 42.420 40.800 -0.096 0.000 1.368 145 D HN -0.030 nan 8.370 nan 0.000 0.564 146 S N 2.654 118.376 115.700 0.037 0.000 2.356 146 S HA -0.205 4.257 4.470 -0.013 0.000 0.223 146 S C 1.460 176.088 174.600 0.046 0.000 1.032 146 S CA 2.076 60.379 58.200 0.172 0.000 1.005 146 S CB 0.076 63.418 63.200 0.236 0.000 0.867 146 S HN 0.617 nan 8.310 nan 0.000 0.449 147 D N 0.526 120.904 120.400 -0.037 0.000 2.097 147 D HA -0.023 4.609 4.640 -0.013 0.000 0.195 147 D C 2.009 178.189 176.300 -0.201 0.000 0.989 147 D CA 1.453 55.408 54.000 -0.075 0.000 0.827 147 D CB -0.447 40.310 40.800 -0.071 0.000 0.966 147 D HN 0.420 nan 8.370 nan 0.000 0.456 148 A N -0.541 122.025 122.820 -0.424 0.000 1.933 148 A HA -0.129 4.183 4.320 -0.013 0.000 0.218 148 A C 2.350 179.551 177.584 -0.637 0.000 1.175 148 A CA 2.122 53.724 52.037 -0.726 0.000 0.628 148 A CB -1.024 17.090 19.000 -1.476 0.000 0.814 148 A HN 0.357 nan 8.150 nan 0.000 0.444 149 T N 0.422 114.634 114.554 -0.570 0.000 2.708 149 T HA -0.017 4.325 4.350 -0.013 0.000 0.266 149 T C 2.259 176.860 174.700 -0.166 0.000 1.037 149 T CA 1.570 63.477 62.100 -0.322 0.000 1.146 149 T CB -0.521 67.862 68.868 -0.809 0.000 0.865 149 T HN 0.597 nan 8.240 nan 0.000 0.435 150 A N 1.856 124.616 122.820 -0.100 0.000 1.908 150 A HA -0.174 4.138 4.320 -0.013 0.000 0.218 150 A C 2.393 180.017 177.584 0.066 0.000 1.181 150 A CA 1.755 53.850 52.037 0.097 0.000 0.627 150 A CB -0.575 18.523 19.000 0.164 0.000 0.818 150 A HN 0.409 nan 8.150 nan 0.000 0.445 151 R N -1.900 118.601 120.500 0.001 0.000 2.081 151 R HA -0.115 4.217 4.340 -0.013 0.000 0.235 151 R C 1.970 178.298 176.300 0.046 0.000 1.131 151 R CA 1.591 57.692 56.100 0.001 0.000 0.960 151 R CB -0.557 29.717 30.300 -0.043 0.000 0.856 151 R HN 0.618 nan 8.270 nan 0.000 0.436 152 F N 1.403 121.352 119.950 -0.002 0.000 2.065 152 F HA -0.226 4.295 4.527 -0.011 0.000 0.298 152 F C 1.886 177.798 175.800 0.187 0.000 1.112 152 F CA 1.600 59.645 58.000 0.076 0.000 1.212 152 F CB -0.275 38.796 39.000 0.118 0.000 0.975 152 F HN -0.105 nan 8.300 nan 0.000 0.476 153 I N 0.251 120.865 120.570 0.073 0.000 2.179 153 I HA -0.308 3.854 4.170 -0.013 0.000 0.242 153 I C 2.589 178.811 176.117 0.174 0.000 1.088 153 I CA 1.521 62.914 61.300 0.155 0.000 1.357 153 I CB -0.544 37.602 38.000 0.243 0.000 1.051 153 I HN 0.118 nan 8.210 nan 0.000 0.409 154 R N 0.618 121.167 120.500 0.082 0.000 2.081 154 R HA -0.106 4.226 4.340 -0.013 0.000 0.235 154 R C 2.426 178.704 176.300 -0.038 0.000 1.131 154 R CA 1.503 57.580 56.100 -0.039 0.000 0.960 154 R CB -0.785 29.451 30.300 -0.107 0.000 0.856 154 R HN 0.452 nan 8.270 nan 0.000 0.436 155 G N 0.614 109.376 108.800 -0.063 0.000 2.443 155 G HA2 -0.267 3.685 3.960 -0.013 0.000 0.219 155 G HA3 -0.267 3.685 3.960 -0.013 0.000 0.219 155 G C 1.137 176.018 174.900 -0.032 0.000 1.131 155 G CA 0.133 45.190 45.100 -0.071 0.000 0.775 155 G HN 0.208 nan 8.290 nan 0.000 0.547 156 F N 0.599 120.362 119.950 -0.311 0.000 2.084 156 F HA 0.071 4.590 4.527 -0.013 0.000 0.296 156 F C 2.201 178.028 175.800 0.045 0.000 1.111 156 F CA 0.381 58.242 58.000 -0.231 0.000 1.224 156 F CB -0.761 37.946 39.000 -0.489 0.000 0.991 156 F HN 0.206 nan 8.300 nan 0.000 0.471 157 W N 1.475 122.673 121.300 -0.171 0.000 2.335 157 W HA -0.231 4.420 4.660 -0.015 0.000 0.311 157 W C 2.755 179.219 176.519 -0.091 0.000 1.213 157 W CA 2.058 59.269 57.345 -0.223 0.000 1.274 157 W CB -1.253 28.127 29.460 -0.134 0.000 1.148 157 W HN 0.142 nan 8.180 nan 0.000 0.498 158 N N 0.285 119.107 118.700 0.203 0.000 2.149 158 N HA -0.196 4.536 4.740 -0.013 0.000 0.188 158 N C 1.649 177.218 175.510 0.098 0.000 1.019 158 N CA 1.963 55.118 53.050 0.175 0.000 0.857 158 N CB -0.250 38.262 38.487 0.043 0.000 0.997 158 N HN 0.152 nan 8.380 nan 0.000 0.426 159 A N 0.100 122.955 122.820 0.058 0.000 1.930 159 A HA -0.068 4.244 4.320 -0.013 0.000 0.215 159 A C 1.663 179.176 177.584 -0.118 0.000 1.176 159 A CA 0.852 52.876 52.037 -0.023 0.000 0.632 159 A CB -0.513 18.453 19.000 -0.056 0.000 0.819 159 A HN 0.466 nan 8.150 nan 0.000 0.445 160 H N -1.404 117.630 119.070 -0.059 0.000 2.551 160 H HA 0.243 4.791 4.556 -0.014 0.000 0.271 160 H C -0.492 174.699 175.328 -0.229 0.000 0.984 160 H CA 0.233 56.216 56.048 -0.109 0.000 1.164 160 H CB 0.451 30.115 29.762 -0.163 0.000 1.437 160 H HN 0.181 nan 8.280 nan 0.000 0.550 161 V N 2.240 122.016 119.914 -0.229 0.000 2.333 161 V HA -0.046 4.066 4.120 -0.013 0.000 0.274 161 V C 0.731 176.734 176.094 -0.150 0.000 1.028 161 V CA -0.239 61.825 62.300 -0.393 0.000 0.851 161 V CB 0.836 32.005 31.823 -1.091 0.000 1.000 161 V HN 0.280 nan 8.190 nan 0.000 0.456 162 Y N 3.234 123.447 120.300 -0.144 0.000 2.243 162 Y HA 0.071 4.616 4.550 -0.008 0.000 0.293 162 Y C 0.998 176.913 175.900 0.024 0.000 1.124 162 Y CA 1.392 59.470 58.100 -0.037 0.000 1.159 162 Y CB 0.537 38.985 38.460 -0.020 0.000 1.008 162 Y HN 0.627 nan 8.280 nan 0.000 0.527 163 D N -1.512 118.900 120.400 0.019 0.000 2.386 163 D HA 0.072 4.704 4.640 -0.013 0.000 0.247 163 D C -0.381 176.011 176.300 0.154 0.000 1.336 163 D CA -0.550 53.486 54.000 0.060 0.000 0.976 163 D CB -0.082 40.789 40.800 0.118 0.000 1.257 163 D HN 0.146 nan 8.370 nan 0.000 0.570 164 W N 2.615 123.962 121.300 0.078 0.000 2.425 164 W HA 0.060 4.722 4.660 0.003 0.000 0.277 164 W C 2.397 179.180 176.519 0.441 0.000 1.231 164 W CA 0.256 57.695 57.345 0.157 0.000 1.248 164 W CB -0.118 29.323 29.460 -0.032 0.000 1.117 164 W HN 0.415 nan 8.180 nan 0.000 0.568 165 R N 1.172 121.965 120.500 0.487 0.000 2.117 165 R HA -0.169 4.163 4.340 -0.013 0.000 0.243 165 R C 1.541 177.949 176.300 0.180 0.000 1.143 165 R CA 2.093 58.383 56.100 0.316 0.000 0.968 165 R CB -0.491 29.887 30.300 0.130 0.000 0.863 165 R HN 0.427 nan 8.270 nan 0.000 0.444 166 I N -3.328 117.403 120.570 0.268 0.000 4.225 166 I HA 0.224 4.385 4.170 -0.013 0.000 0.327 166 I C -0.251 176.169 176.117 0.504 0.000 1.422 166 I CA -0.531 60.905 61.300 0.227 0.000 1.150 166 I CB 0.594 38.664 38.000 0.117 0.000 1.192 166 I HN -0.060 nan 8.210 nan 0.000 0.440 167 L N 2.324 123.866 121.223 0.531 0.000 3.795 167 L HA -0.220 4.112 4.340 -0.013 0.000 0.489 167 L C 0.343 177.404 176.870 0.318 0.000 1.259 167 L CA 0.728 55.805 54.840 0.395 0.000 0.765 167 L CB -1.032 41.284 42.059 0.428 0.000 1.519 167 L HN 0.624 nan 8.230 nan 0.000 0.842 168 E N 1.048 121.378 120.200 0.216 0.000 2.180 168 E HA 0.315 4.657 4.350 -0.013 0.000 0.283 168 E C 0.582 177.208 176.600 0.044 0.000 1.061 168 E CA 0.155 56.635 56.400 0.133 0.000 0.861 168 E CB 0.772 30.585 29.700 0.189 0.000 1.056 168 E HN 0.320 nan 8.360 nan 0.000 0.407 169 T N 1.009 115.560 114.554 -0.004 0.000 2.948 169 T HA 0.614 4.956 4.350 -0.013 0.000 0.285 169 T C -0.142 174.567 174.700 0.014 0.000 1.019 169 T CA -0.815 61.260 62.100 -0.042 0.000 1.013 169 T CB 1.588 70.411 68.868 -0.076 0.000 1.117 169 T HN 0.338 nan 8.240 nan 0.000 0.533 170 S N -0.257 115.482 115.700 0.066 0.000 2.541 170 S HA 0.475 4.937 4.470 -0.013 0.000 0.280 170 S C 0.678 175.429 174.600 0.251 0.000 1.112 170 S CA -1.174 57.092 58.200 0.110 0.000 0.925 170 S CB 2.131 65.359 63.200 0.046 0.000 1.067 170 S HN 0.781 nan 8.310 nan 0.000 0.479 171 R N 0.578 121.215 120.500 0.229 0.000 2.096 171 R HA -0.003 4.329 4.340 -0.013 0.000 0.235 171 R C 0.233 176.833 176.300 0.500 0.000 1.127 171 R CA 1.257 57.522 56.100 0.276 0.000 0.968 171 R CB -0.196 30.147 30.300 0.072 0.000 0.861 171 R HN 0.708 nan 8.270 nan 0.000 0.440 172 H N -1.243 117.952 119.070 0.208 0.000 2.458 172 H HA 0.362 4.910 4.556 -0.014 0.000 0.330 172 H C -0.224 175.025 175.328 -0.131 0.000 1.111 172 H CA -0.868 55.269 56.048 0.148 0.000 1.245 172 H CB 1.815 31.641 29.762 0.105 0.000 1.456 172 H HN 0.184 nan 8.280 nan 0.000 0.488 173 G N 2.416 111.119 108.800 -0.160 0.000 2.513 173 G HA2 0.160 4.112 3.960 -0.013 0.000 0.317 173 G HA3 0.160 4.112 3.960 -0.013 0.000 0.317 173 G C -0.577 174.224 174.900 -0.165 0.000 1.277 173 G CA -0.638 44.165 45.100 -0.495 0.000 0.955 173 G HN 0.527 nan 8.290 nan 0.000 0.484 174 E N 1.083 121.217 120.200 -0.111 0.000 2.289 174 E HA 0.157 4.499 4.350 -0.013 0.000 0.278 174 E C -0.485 176.081 176.600 -0.057 0.000 1.032 174 E CA -0.095 56.297 56.400 -0.013 0.000 0.854 174 E CB 1.214 30.939 29.700 0.042 0.000 1.046 174 E HN 0.460 nan 8.360 nan 0.000 0.409 175 Y N 0.227 120.594 120.300 0.111 0.000 2.457 175 Y HA 0.215 4.757 4.550 -0.013 0.000 0.341 175 Y C 1.796 177.744 175.900 0.081 0.000 1.240 175 Y CA 1.343 59.513 58.100 0.116 0.000 1.437 175 Y CB 0.780 39.349 38.460 0.182 0.000 1.328 175 Y HN 0.777 nan 8.280 nan 0.000 0.588 176 G N 1.472 110.405 108.800 0.223 0.000 2.143 176 G HA2 -0.317 3.635 3.960 -0.013 0.000 0.248 176 G HA3 -0.317 3.635 3.960 -0.013 0.000 0.248 176 G C 0.124 175.071 174.900 0.079 0.000 0.991 176 G CA 0.059 45.242 45.100 0.138 0.000 0.689 176 G HN 0.554 nan 8.290 nan 0.000 0.522 177 K N 1.070 121.504 120.400 0.056 0.000 2.276 177 K HA 0.452 4.764 4.320 -0.013 0.000 0.283 177 K C -1.893 174.716 176.600 0.015 0.000 1.044 177 K CA -1.559 54.747 56.287 0.031 0.000 0.944 177 K CB 0.752 33.263 32.500 0.019 0.000 1.012 177 K HN 0.062 nan 8.250 nan 0.000 0.472 178 P HA 0.016 nan 4.420 nan 0.000 0.271 178 P C -0.561 176.724 177.300 -0.025 0.000 1.218 178 P CA -0.503 62.592 63.100 -0.008 0.000 0.780 178 P CB 0.426 32.120 31.700 -0.010 0.000 0.901 179 M N 2.302 121.876 119.600 -0.044 0.000 2.269 179 M HA 0.292 4.764 4.480 -0.013 0.000 0.350 179 M C 0.704 176.948 176.300 -0.094 0.000 1.429 179 M CA 0.519 55.773 55.300 -0.076 0.000 1.063 179 M CB -0.545 31.999 32.600 -0.093 0.000 1.841 179 M HN 0.538 nan 8.290 nan 0.000 0.455 180 G N 3.116 111.844 108.800 -0.119 0.000 2.630 180 G HA2 0.542 4.494 3.960 -0.013 0.000 0.223 180 G HA3 0.542 4.494 3.960 -0.013 0.000 0.223 180 G C 0.433 175.178 174.900 -0.259 0.000 1.434 180 G CA -0.043 44.961 45.100 -0.159 0.000 1.057 180 G HN 0.963 nan 8.290 nan 0.000 0.570 181 A N -1.874 120.732 122.820 -0.356 0.000 2.119 181 A HA 0.364 4.676 4.320 -0.013 0.000 0.216 181 A C 1.665 178.887 177.584 -0.602 0.000 1.152 181 A CA 1.305 53.102 52.037 -0.401 0.000 0.708 181 A CB -0.647 18.144 19.000 -0.350 0.000 0.805 181 A HN 1.384 nan 8.150 nan 0.000 0.460 182 L N -3.260 117.403 121.223 -0.933 0.000 5.891 182 L HA -0.357 3.975 4.340 -0.013 0.000 0.053 182 L C 1.372 177.407 176.870 -1.390 0.000 2.528 182 L CA 2.763 56.822 54.840 -1.302 0.000 1.612 182 L CB -1.297 40.168 42.059 -0.991 0.000 2.817 182 L HN 0.573 nan 8.230 nan 0.000 0.990 183 W N -0.247 120.709 121.300 -0.574 0.000 2.525 183 W HA 0.017 4.668 4.660 -0.015 0.000 0.259 183 W C 2.076 178.621 176.519 0.042 0.000 1.253 183 W CA 0.707 57.913 57.345 -0.231 0.000 1.262 183 W CB -0.202 29.265 29.460 0.012 0.000 1.122 183 W HN 0.433 nan 8.180 nan 0.000 0.607 184 E N 0.310 120.520 120.200 0.015 0.000 2.489 184 E HA 0.017 4.359 4.350 -0.013 0.000 0.193 184 E C 0.686 177.295 176.600 0.015 0.000 1.057 184 E CA -0.047 56.384 56.400 0.051 0.000 0.866 184 E CB 0.134 29.822 29.700 -0.020 0.000 0.916 184 E HN -0.033 nan 8.360 nan 0.000 0.500 185 S N 2.008 117.622 115.700 -0.144 0.000 2.558 185 S HA 0.001 4.463 4.470 -0.013 0.000 0.287 185 S C 0.304 175.099 174.600 0.326 0.000 1.321 185 S CA 0.226 58.380 58.200 -0.076 0.000 1.048 185 S CB 0.475 63.392 63.200 -0.471 0.000 0.844 185 S HN 0.043 nan 8.310 nan 0.000 0.512 186 K N 2.133 122.691 120.400 0.263 0.000 2.276 186 K HA 0.343 4.655 4.320 -0.013 0.000 0.283 186 K C -0.658 176.215 176.600 0.454 0.000 1.044 186 K CA -0.131 56.331 56.287 0.292 0.000 0.944 186 K CB 0.439 33.027 32.500 0.147 0.000 1.012 186 K HN 0.523 nan 8.250 nan 0.000 0.472 187 F N 1.523 121.620 119.950 0.245 0.000 2.480 187 F HA 0.288 4.805 4.527 -0.017 0.000 0.329 187 F C -0.427 175.410 175.800 0.062 0.000 1.091 187 F CA -0.743 57.381 58.000 0.207 0.000 0.972 187 F CB 1.494 40.523 39.000 0.048 0.000 1.150 187 F HN 0.461 nan 8.300 nan 0.000 0.467 188 E N 3.792 123.522 120.200 -0.784 0.000 2.244 188 E HA 0.132 4.474 4.350 -0.013 0.000 0.260 188 E C -1.474 174.502 176.600 -1.040 0.000 0.884 188 E CA -1.124 54.863 56.400 -0.688 0.000 0.777 188 E CB 1.847 31.344 29.700 -0.337 0.000 1.197 188 E HN 0.458 nan 8.360 nan 0.000 0.416 189 Q N 3.134 122.461 119.800 -0.789 0.000 2.247 189 Q HA -0.051 4.281 4.340 -0.013 0.000 0.288 189 Q C -0.681 175.105 176.000 -0.356 0.000 1.079 189 Q CA 0.640 56.170 55.803 -0.456 0.000 0.932 189 Q CB 0.383 29.065 28.738 -0.093 0.000 1.133 189 Q HN 0.268 nan 8.270 nan 0.000 0.377 190 Q N 5.275 124.843 119.800 -0.388 0.000 2.230 190 Q HA 0.472 4.804 4.340 -0.013 0.000 0.248 190 Q C -2.077 173.830 176.000 -0.155 0.000 0.915 190 Q CA -2.025 53.517 55.803 -0.434 0.000 0.900 190 Q CB 0.576 28.622 28.738 -1.153 0.000 1.229 190 Q HN 0.608 nan 8.270 nan 0.000 0.439 191 P HA 0.128 nan 4.420 nan 0.000 0.269 191 P C -2.484 174.922 177.300 0.175 0.000 1.217 191 P CA -1.143 61.989 63.100 0.053 0.000 0.783 191 P CB -0.603 31.137 31.700 0.066 0.000 0.898 192 P HA 0.005 nan 4.420 nan 0.000 0.264 192 P C -0.303 177.137 177.300 0.234 0.000 1.183 192 P CA 0.501 63.654 63.100 0.089 0.000 0.763 192 P CB -0.369 31.407 31.700 0.127 0.000 0.807 193 F N -0.246 119.772 119.950 0.114 0.000 3.091 193 F HA -0.218 4.301 4.527 -0.012 0.000 0.288 193 F C 0.625 176.423 175.800 -0.004 0.000 0.907 193 F CA 0.236 58.225 58.000 -0.019 0.000 1.028 193 F CB -2.656 36.338 39.000 -0.010 0.000 1.022 193 F HN 0.190 nan 8.300 nan 0.000 0.665 194 F N -0.109 119.901 119.950 0.100 0.000 2.553 194 F HA 0.552 5.072 4.527 -0.012 0.000 0.356 194 F C 0.561 176.387 175.800 0.043 0.000 1.142 194 F CA -0.905 57.133 58.000 0.064 0.000 1.322 194 F CB 0.386 39.407 39.000 0.035 0.000 1.126 194 F HN 0.179 nan 8.300 nan 0.000 0.599 195 A N 2.841 125.739 122.820 0.130 0.000 2.328 195 A HA 0.605 4.917 4.320 -0.013 0.000 0.284 195 A C 0.082 177.700 177.584 0.057 0.000 1.160 195 A CA 0.053 52.104 52.037 0.024 0.000 0.818 195 A CB 0.585 19.616 19.000 0.051 0.000 1.087 195 A HN 1.038 nan 8.150 nan 0.000 0.504 196 T N 0.613 115.140 114.554 -0.044 0.000 2.840 196 T HA 0.339 4.681 4.350 -0.013 0.000 0.317 196 T C 0.486 175.148 174.700 -0.063 0.000 1.401 196 T CA -0.629 61.468 62.100 -0.005 0.000 1.028 196 T CB 1.106 69.982 68.868 0.013 0.000 1.317 196 T HN 0.520 nan 8.240 nan 0.000 0.495 197 K N 1.085 121.464 120.400 -0.034 0.000 2.167 197 K HA 0.142 4.454 4.320 -0.013 0.000 0.203 197 K C 1.318 177.850 176.600 -0.114 0.000 1.052 197 K CA 0.650 56.898 56.287 -0.066 0.000 0.956 197 K CB -0.382 32.094 32.500 -0.041 0.000 0.735 197 K HN 0.682 nan 8.250 nan 0.000 0.451 198 G N 1.073 109.801 108.800 -0.121 0.000 2.588 198 G HA2 0.402 4.354 3.960 -0.013 0.000 0.281 198 G HA3 0.402 4.354 3.960 -0.013 0.000 0.281 198 G C -1.124 173.617 174.900 -0.265 0.000 1.236 198 G CA -0.376 44.617 45.100 -0.178 0.000 0.969 198 G HN 0.109 nan 8.290 nan 0.000 0.504 199 L N -0.357 120.668 121.223 -0.330 0.000 2.611 199 L HA 0.417 4.748 4.340 -0.013 0.000 0.263 199 L C -0.143 176.381 176.870 -0.576 0.000 0.969 199 L CA -0.562 53.946 54.840 -0.553 0.000 0.894 199 L CB 1.617 43.242 42.059 -0.725 0.000 1.229 199 L HN 0.312 nan 8.230 nan 0.000 0.416 200 S N 5.652 121.048 115.700 -0.506 0.000 2.686 200 S HA 0.344 4.806 4.470 -0.013 0.000 0.324 200 S C -0.061 174.370 174.600 -0.281 0.000 1.172 200 S CA -0.187 57.837 58.200 -0.293 0.000 1.127 200 S CB -0.928 62.164 63.200 -0.180 0.000 1.338 200 S HN 0.366 nan 8.310 nan 0.000 0.547 201 F N 2.091 121.982 119.950 -0.097 0.000 2.572 201 F HA 0.051 4.570 4.527 -0.014 0.000 0.370 201 F C 1.329 177.047 175.800 -0.135 0.000 1.103 201 F CA -0.528 57.387 58.000 -0.141 0.000 1.286 201 F CB 0.266 39.192 39.000 -0.124 0.000 1.105 201 F HN 0.324 nan 8.300 nan 0.000 0.583 202 L N 3.539 124.682 121.223 -0.133 0.000 2.083 202 L HA -0.227 4.104 4.340 -0.013 0.000 0.209 202 L C 2.143 178.890 176.870 -0.205 0.000 1.083 202 L CA 1.769 56.386 54.840 -0.372 0.000 0.752 202 L CB -0.884 40.789 42.059 -0.644 0.000 0.899 202 L HN 0.750 nan 8.230 nan 0.000 0.433 203 N N -0.361 118.263 118.700 -0.128 0.000 2.571 203 N HA -0.034 4.698 4.740 -0.013 0.000 0.189 203 N C 1.275 176.749 175.510 -0.060 0.000 1.154 203 N CA 1.129 54.114 53.050 -0.109 0.000 0.907 203 N CB -0.364 38.043 38.487 -0.134 0.000 0.977 203 N HN 0.375 nan 8.380 nan 0.000 0.449 204 A N -0.141 122.686 122.820 0.012 0.000 1.973 204 A HA 0.398 4.710 4.320 -0.013 0.000 0.210 204 A C 2.202 179.782 177.584 -0.007 0.000 1.200 204 A CA 0.623 52.684 52.037 0.041 0.000 0.707 204 A CB -0.868 18.204 19.000 0.120 0.000 0.862 204 A HN 0.352 nan 8.150 nan 0.000 0.461 205 G N 0.608 109.403 108.800 -0.008 0.000 2.408 205 G HA2 -0.237 3.715 3.960 -0.013 0.000 0.217 205 G HA3 -0.237 3.715 3.960 -0.013 0.000 0.217 205 G C 1.301 176.218 174.900 0.028 0.000 1.150 205 G CA 1.068 46.159 45.100 -0.015 0.000 0.776 205 G HN 0.467 nan 8.290 nan 0.000 0.542 206 N N 1.499 120.215 118.700 0.027 0.000 2.037 206 N HA -0.120 4.612 4.740 -0.013 0.000 0.196 206 N C 1.715 177.442 175.510 0.361 0.000 1.034 206 N CA 1.486 54.634 53.050 0.164 0.000 0.861 206 N CB -0.398 38.154 38.487 0.109 0.000 1.039 206 N HN 0.249 nan 8.380 nan 0.000 0.427 207 D N 0.408 120.974 120.400 0.277 0.000 2.178 207 D HA -0.022 4.609 4.640 -0.013 0.000 0.202 207 D C 2.170 178.837 176.300 0.612 0.000 0.974 207 D CA 0.288 54.598 54.000 0.516 0.000 0.841 207 D CB 0.049 41.129 40.800 0.467 0.000 0.953 207 D HN 0.234 nan 8.370 nan 0.000 0.478 208 L N 0.488 121.812 121.223 0.167 0.000 1.994 208 L HA -0.149 4.183 4.340 -0.013 0.000 0.208 208 L C 2.555 179.728 176.870 0.504 0.000 1.071 208 L CA 0.778 55.542 54.840 -0.126 0.000 0.745 208 L CB -0.347 41.168 42.059 -0.907 0.000 0.892 208 L HN -0.022 nan 8.230 nan 0.000 0.431 209 I N -1.321 119.500 120.570 0.419 0.000 2.151 209 I HA -0.379 3.782 4.170 -0.013 0.000 0.243 209 I C 2.559 178.960 176.117 0.473 0.000 1.080 209 I CA 1.696 63.271 61.300 0.458 0.000 1.339 209 I CB -0.461 37.735 38.000 0.327 0.000 1.039 209 I HN 0.193 nan 8.210 nan 0.000 0.409 210 Y N 1.755 122.297 120.300 0.403 0.000 2.163 210 Y HA -0.294 4.249 4.550 -0.013 0.000 0.288 210 Y C 2.889 179.081 175.900 0.486 0.000 1.136 210 Y CA 1.557 59.901 58.100 0.407 0.000 1.147 210 Y CB -0.558 38.190 38.460 0.480 0.000 0.987 210 Y HN 0.288 nan 8.280 nan 0.000 0.509 211 S N 0.299 116.316 115.700 0.529 0.000 2.356 211 S HA -0.200 4.262 4.470 -0.013 0.000 0.223 211 S C 2.280 176.998 174.600 0.196 0.000 1.032 211 S CA 1.169 59.532 58.200 0.273 0.000 1.005 211 S CB -1.269 62.280 63.200 0.581 0.000 0.867 211 S HN 0.490 nan 8.310 nan 0.000 0.449 212 A N 1.535 124.559 122.820 0.340 0.000 1.972 212 A HA 0.037 4.349 4.320 -0.013 0.000 0.219 212 A C 2.434 180.023 177.584 0.008 0.000 1.169 212 A CA 1.746 53.809 52.037 0.044 0.000 0.635 212 A CB -1.147 17.704 19.000 -0.247 0.000 0.810 212 A HN 0.554 nan 8.150 nan 0.000 0.446 213 S N -0.544 115.209 115.700 0.089 0.000 2.383 213 S HA -0.084 4.378 4.470 -0.013 0.000 0.227 213 S C 1.734 176.387 174.600 0.089 0.000 1.026 213 S CA 1.391 59.640 58.200 0.080 0.000 0.981 213 S CB -0.303 62.959 63.200 0.104 0.000 0.818 213 S HN 0.425 nan 8.310 nan 0.000 0.472 214 L N 0.804 122.053 121.223 0.043 0.000 2.156 214 L HA 0.049 4.381 4.340 -0.013 0.000 0.208 214 L C 2.053 179.007 176.870 0.140 0.000 1.095 214 L CA 0.668 55.577 54.840 0.116 0.000 0.770 214 L CB -0.424 41.717 42.059 0.136 0.000 0.914 214 L HN 0.255 nan 8.230 nan 0.000 0.439 215 L N -1.534 119.785 121.223 0.159 0.000 2.046 215 L HA -0.263 4.069 4.340 -0.013 0.000 0.208 215 L C 2.376 179.228 176.870 -0.029 0.000 1.077 215 L CA 1.802 56.729 54.840 0.145 0.000 0.747 215 L CB -0.839 41.346 42.059 0.210 0.000 0.896 215 L HN 0.329 nan 8.230 nan 0.000 0.432 216 Y N 0.538 120.773 120.300 -0.108 0.000 2.097 216 Y HA -0.291 4.250 4.550 -0.015 0.000 0.282 216 Y C 2.428 178.240 175.900 -0.146 0.000 1.152 216 Y CA 2.118 60.133 58.100 -0.142 0.000 1.136 216 Y CB -0.258 38.109 38.460 -0.155 0.000 0.975 216 Y HN 0.112 nan 8.280 nan 0.000 0.498 217 K N -0.578 119.678 120.400 -0.241 0.000 2.074 217 K HA -0.233 4.079 4.320 -0.013 0.000 0.209 217 K C 1.988 178.246 176.600 -0.570 0.000 1.048 217 K CA 2.070 58.142 56.287 -0.357 0.000 0.926 217 K CB -0.636 31.778 32.500 -0.142 0.000 0.713 217 K HN 0.619 nan 8.250 nan 0.000 0.444 218 H N -0.283 118.454 119.070 -0.554 0.000 2.465 218 H HA 0.097 4.644 4.556 -0.014 0.000 0.289 218 H C 1.223 176.255 175.328 -0.493 0.000 1.022 218 H CA 0.704 56.355 56.048 -0.663 0.000 1.340 218 H CB 0.612 29.543 29.762 -1.385 0.000 1.437 218 H HN 0.296 nan 8.280 nan 0.000 0.539 219 Q N 0.205 119.805 119.800 -0.332 0.000 2.189 219 Q HA 0.059 4.391 4.340 -0.013 0.000 0.223 219 Q C -0.095 175.772 176.000 -0.222 0.000 0.828 219 Q CA -0.132 55.551 55.803 -0.200 0.000 0.967 219 Q CB 1.305 30.002 28.738 -0.068 0.000 1.139 219 Q HN 0.170 nan 8.270 nan 0.000 0.497 220 Q N 1.073 120.620 119.800 -0.422 0.000 2.481 220 Q HA -0.191 4.141 4.340 -0.013 0.000 0.272 220 Q C -0.609 175.332 176.000 -0.098 0.000 1.157 220 Q CA 0.881 56.410 55.803 -0.456 0.000 0.935 220 Q CB -1.582 26.995 28.738 -0.268 0.000 1.338 220 Q HN 0.439 nan 8.270 nan 0.000 0.494 221 D N 0.855 121.234 120.400 -0.036 0.000 2.344 221 D HA 0.035 4.667 4.640 -0.013 0.000 0.253 221 D C 1.182 177.517 176.300 0.057 0.000 1.255 221 D CA 0.056 54.064 54.000 0.013 0.000 0.894 221 D CB 0.740 41.525 40.800 -0.024 0.000 1.067 221 D HN 0.076 nan 8.370 nan 0.000 0.492 222 Q N 2.837 122.645 119.800 0.014 0.000 2.119 222 Q HA -0.053 4.279 4.340 -0.013 0.000 0.201 222 Q C 1.954 177.828 176.000 -0.209 0.000 0.972 222 Q CA 1.080 56.845 55.803 -0.063 0.000 0.847 222 Q CB -0.428 28.287 28.738 -0.038 0.000 0.903 222 Q HN 0.677 nan 8.270 nan 0.000 0.433 223 G N 1.149 109.805 108.800 -0.240 0.000 2.440 223 G HA2 -0.217 3.735 3.960 -0.013 0.000 0.218 223 G HA3 -0.217 3.735 3.960 -0.013 0.000 0.218 223 G C 1.597 175.928 174.900 -0.948 0.000 1.154 223 G CA 1.396 46.283 45.100 -0.354 0.000 0.767 223 G HN 0.459 nan 8.290 nan 0.000 0.552 224 A N 0.412 122.374 122.820 -1.430 0.000 1.877 224 A HA 0.032 4.344 4.320 -0.013 0.000 0.216 224 A C 2.384 179.513 177.584 -0.757 0.000 1.186 224 A CA 1.773 52.870 52.037 -1.566 0.000 0.620 224 A CB -0.518 17.972 19.000 -0.851 0.000 0.822 224 A HN 0.465 nan 8.150 nan 0.000 0.443 225 L N -0.273 120.677 121.223 -0.455 0.000 2.046 225 L HA -0.112 4.220 4.340 -0.013 0.000 0.208 225 L C 2.482 179.155 176.870 -0.328 0.000 1.077 225 L CA 2.798 57.413 54.840 -0.376 0.000 0.747 225 L CB -1.041 40.657 42.059 -0.602 0.000 0.896 225 L HN 0.382 nan 8.230 nan 0.000 0.432 226 T N -1.306 113.043 114.554 -0.342 0.000 2.684 226 T HA -0.253 4.089 4.350 -0.013 0.000 0.267 226 T C 1.416 175.919 174.700 -0.329 0.000 1.036 226 T CA 2.282 64.182 62.100 -0.333 0.000 1.148 226 T CB -0.560 68.090 68.868 -0.363 0.000 0.863 226 T HN 0.512 nan 8.240 nan 0.000 0.436 227 W N 0.987 122.106 121.300 -0.302 0.000 2.453 227 W HA 0.266 4.913 4.660 -0.021 0.000 0.289 227 W C 2.765 179.267 176.519 -0.028 0.000 1.215 227 W CA 0.346 57.597 57.345 -0.156 0.000 1.297 227 W CB -0.486 28.911 29.460 -0.105 0.000 1.113 227 W HN 0.210 nan 8.180 nan 0.000 0.551 228 A N 0.860 123.716 122.820 0.060 0.000 1.865 228 A HA -0.247 4.065 4.320 -0.013 0.000 0.217 228 A C 1.940 179.644 177.584 0.199 0.000 1.191 228 A CA 2.026 54.191 52.037 0.213 0.000 0.623 228 A CB -0.677 18.363 19.000 0.067 0.000 0.826 228 A HN 0.248 nan 8.150 nan 0.000 0.444 229 K N -1.050 119.396 120.400 0.076 0.000 2.097 229 K HA -0.116 4.196 4.320 -0.013 0.000 0.205 229 K C 2.385 179.087 176.600 0.170 0.000 1.050 229 K CA 1.199 57.569 56.287 0.139 0.000 0.938 229 K CB -0.190 32.328 32.500 0.030 0.000 0.718 229 K HN 0.505 nan 8.250 nan 0.000 0.442 230 R N 1.271 121.766 120.500 -0.009 0.000 2.083 230 R HA -0.167 4.165 4.340 -0.013 0.000 0.237 230 R C 2.353 178.594 176.300 -0.097 0.000 1.137 230 R CA 1.212 57.212 56.100 -0.166 0.000 0.951 230 R CB -0.321 29.689 30.300 -0.483 0.000 0.851 230 R HN 0.077 nan 8.270 nan 0.000 0.434 231 L N 0.943 122.225 121.223 0.098 0.000 2.012 231 L HA -0.103 4.229 4.340 -0.013 0.000 0.210 231 L C 2.351 179.320 176.870 0.165 0.000 1.073 231 L CA 2.249 57.184 54.840 0.159 0.000 0.748 231 L CB -0.902 41.361 42.059 0.342 0.000 0.891 231 L HN 0.298 nan 8.230 nan 0.000 0.431 232 A N -0.916 122.040 122.820 0.226 0.000 1.917 232 A HA -0.312 4.000 4.320 -0.013 0.000 0.219 232 A C 2.122 179.773 177.584 0.112 0.000 1.182 232 A CA 2.091 54.286 52.037 0.264 0.000 0.633 232 A CB -1.079 18.133 19.000 0.353 0.000 0.819 232 A HN 0.568 nan 8.150 nan 0.000 0.448 233 D N -1.020 119.316 120.400 -0.107 0.000 2.310 233 D HA -0.091 4.541 4.640 -0.013 0.000 0.212 233 D C 1.935 177.944 176.300 -0.485 0.000 0.965 233 D CA 0.691 54.353 54.000 -0.563 0.000 0.879 233 D CB -0.056 40.363 40.800 -0.635 0.000 0.921 233 D HN 0.346 nan 8.370 nan 0.000 0.510 234 Q N -0.797 118.712 119.800 -0.484 0.000 2.291 234 Q HA -0.133 4.199 4.340 -0.013 0.000 0.205 234 Q C 1.046 176.518 176.000 -0.881 0.000 0.970 234 Q CA 0.869 56.110 55.803 -0.937 0.000 0.876 234 Q CB -0.323 27.399 28.738 -1.694 0.000 0.935 234 Q HN 0.581 nan 8.270 nan 0.000 0.455 235 Y N -1.003 119.114 120.300 -0.305 0.000 2.457 235 Y HA 0.066 4.607 4.550 -0.013 0.000 0.263 235 Y C 1.831 177.624 175.900 -0.179 0.000 1.164 235 Y CA -0.099 57.910 58.100 -0.151 0.000 1.274 235 Y CB 0.628 39.044 38.460 -0.073 0.000 1.097 235 Y HN -0.155 nan 8.280 nan 0.000 0.523 236 V N -1.458 118.332 119.914 -0.206 0.000 2.911 236 V HA -0.096 4.016 4.120 -0.013 0.000 0.237 236 V C 1.992 177.917 176.094 -0.282 0.000 1.156 236 V CA 0.450 62.583 62.300 -0.278 0.000 1.180 236 V CB -0.389 31.069 31.823 -0.609 0.000 0.932 236 V HN 0.228 nan 8.190 nan 0.000 0.483 237 L N 0.845 121.862 121.223 -0.344 0.000 2.043 237 L HA -0.137 4.195 4.340 -0.013 0.000 0.212 237 L C -0.294 176.486 176.870 -0.151 0.000 1.075 237 L CA 1.894 56.584 54.840 -0.249 0.000 0.752 237 L CB -1.625 40.283 42.059 -0.252 0.000 0.891 237 L HN 0.424 nan 8.230 nan 0.000 0.432 238 P HA 0.008 nan 4.420 nan 0.000 0.249 238 P C 0.011 177.340 177.300 0.049 0.000 1.229 238 P CA 0.142 63.190 63.100 -0.086 0.000 0.788 238 P CB 0.052 31.534 31.700 -0.364 0.000 1.072 239 R N 0.968 121.473 120.500 0.009 0.000 2.698 239 R HA 0.029 4.361 4.340 -0.013 0.000 0.266 239 R C 0.267 176.604 176.300 0.061 0.000 1.026 239 R CA 0.052 56.184 56.100 0.052 0.000 1.102 239 R CB -0.249 30.069 30.300 0.031 0.000 0.978 239 R HN 0.113 nan 8.270 nan 0.000 0.436 240 D N 0.912 121.345 120.400 0.056 0.000 2.458 240 D HA 0.004 4.636 4.640 -0.013 0.000 0.243 240 D C 0.870 177.181 176.300 0.018 0.000 1.146 240 D CA 0.382 54.399 54.000 0.028 0.000 0.877 240 D CB 0.978 41.765 40.800 -0.021 0.000 1.176 240 D HN 0.537 nan 8.370 nan 0.000 0.461 241 A N 4.194 127.029 122.820 0.026 0.000 2.070 241 A HA -0.166 4.146 4.320 -0.013 0.000 0.220 241 A C 1.937 179.541 177.584 0.032 0.000 1.159 241 A CA 1.295 53.349 52.037 0.029 0.000 0.656 241 A CB -0.221 18.798 19.000 0.031 0.000 0.800 241 A HN 0.659 nan 8.150 nan 0.000 0.453 242 K N -1.475 118.937 120.400 0.021 0.000 2.214 242 K HA -0.031 4.281 4.320 -0.013 0.000 0.201 242 K C 2.081 178.703 176.600 0.036 0.000 1.049 242 K CA 1.285 57.595 56.287 0.039 0.000 0.978 242 K CB 0.136 32.660 32.500 0.040 0.000 0.842 242 K HN 0.568 nan 8.250 nan 0.000 0.474 243 T N -3.570 110.932 114.554 -0.086 0.000 3.037 243 T HA 0.158 4.499 4.350 -0.013 0.000 0.252 243 T C 1.350 175.975 174.700 -0.125 0.000 1.073 243 T CA 0.688 62.597 62.100 -0.319 0.000 1.091 243 T CB 0.477 68.834 68.868 -0.851 0.000 0.935 243 T HN 0.308 nan 8.240 nan 0.000 0.488 244 G N 1.539 110.325 108.800 -0.023 0.000 2.166 244 G HA2 -0.224 3.728 3.960 -0.013 0.000 0.260 244 G HA3 -0.224 3.728 3.960 -0.013 0.000 0.260 244 G C -0.012 174.938 174.900 0.083 0.000 0.986 244 G CA 0.456 45.589 45.100 0.055 0.000 0.683 244 G HN 0.655 nan 8.290 nan 0.000 0.527 245 L N 0.078 121.315 121.223 0.023 0.000 2.436 245 L HA 0.587 4.919 4.340 -0.013 0.000 0.265 245 L C 1.300 178.251 176.870 0.134 0.000 1.168 245 L CA 0.781 55.687 54.840 0.110 0.000 0.815 245 L CB 1.051 43.120 42.059 0.018 0.000 1.109 245 L HN 1.110 nan 8.230 nan 0.000 0.462 246 G N 1.162 110.074 108.800 0.187 0.000 2.566 246 G HA2 0.057 4.009 3.960 -0.013 0.000 0.599 246 G HA3 0.057 4.009 3.960 -0.013 0.000 0.599 246 G C -1.132 173.803 174.900 0.059 0.000 1.292 246 G CA -0.495 44.673 45.100 0.113 0.000 0.922 246 G HN 0.901 nan 8.290 nan 0.000 0.514 247 V N -3.272 116.693 119.914 0.084 0.000 2.914 247 V HA 0.764 4.876 4.120 -0.013 0.000 0.314 247 V C 1.028 177.257 176.094 0.225 0.000 1.084 247 V CA -0.066 62.338 62.300 0.173 0.000 0.963 247 V CB 1.746 33.689 31.823 0.201 0.000 1.025 247 V HN 1.666 nan 8.190 nan 0.000 0.432 248 Y N 2.000 122.370 120.300 0.117 0.000 2.337 248 Y HA 0.226 4.768 4.550 -0.012 0.000 0.293 248 Y C 1.022 177.057 175.900 0.225 0.000 1.123 248 Y CA 1.579 59.737 58.100 0.096 0.000 1.201 248 Y CB 0.364 38.867 38.460 0.071 0.000 1.011 248 Y HN 0.865 nan 8.280 nan 0.000 0.545 249 Q N -1.321 118.623 119.800 0.241 0.000 2.534 249 Q HA 0.254 4.586 4.340 -0.013 0.000 0.290 249 Q C -1.010 174.913 176.000 -0.128 0.000 0.991 249 Q CA -0.658 55.166 55.803 0.034 0.000 0.783 249 Q CB 0.551 29.217 28.738 -0.119 0.000 1.470 249 Q HN 0.205 nan 8.270 nan 0.000 0.406 250 F N -1.853 117.814 119.950 -0.472 0.000 2.706 250 F HA 0.383 4.901 4.527 -0.015 0.000 0.313 250 F C 0.170 175.525 175.800 -0.741 0.000 1.096 250 F CA 0.142 57.691 58.000 -0.752 0.000 1.219 250 F CB 0.709 39.278 39.000 -0.718 0.000 1.051 250 F HN 0.601 nan 8.300 nan 0.000 0.568 251 T N -0.757 113.319 114.554 -0.798 0.000 2.927 251 T HA 0.649 4.991 4.350 -0.013 0.000 0.286 251 T C -0.731 173.825 174.700 -0.239 0.000 1.040 251 T CA -0.665 60.997 62.100 -0.731 0.000 1.010 251 T CB 2.260 70.505 68.868 -1.038 0.000 1.177 251 T HN 0.487 nan 8.240 nan 0.000 0.546 252 Q N 0.303 119.992 119.800 -0.186 0.000 2.458 252 Q HA 0.728 5.060 4.340 -0.013 0.000 0.282 252 Q C -0.691 175.234 176.000 -0.126 0.000 1.106 252 Q CA -1.565 54.194 55.803 -0.073 0.000 0.814 252 Q CB 1.807 30.559 28.738 0.024 0.000 1.425 252 Q HN 0.960 nan 8.270 nan 0.000 0.437 253 A N 1.372 124.137 122.820 -0.093 0.000 2.540 253 A HA 0.224 4.536 4.320 -0.013 0.000 0.239 253 A C -0.332 177.221 177.584 -0.051 0.000 1.061 253 A CA -0.402 51.583 52.037 -0.087 0.000 0.758 253 A CB -0.049 18.907 19.000 -0.073 0.000 0.991 253 A HN 0.605 nan 8.150 nan 0.000 0.502 254 L N 2.461 123.654 121.223 -0.051 0.000 2.385 254 L HA 0.236 4.568 4.340 -0.013 0.000 0.281 254 L C 0.634 177.492 176.870 -0.020 0.000 1.106 254 L CA 0.335 55.162 54.840 -0.021 0.000 0.856 254 L CB 0.140 42.190 42.059 -0.015 0.000 1.186 254 L HN 0.665 nan 8.230 nan 0.000 0.453 255 K N 4.934 125.336 120.400 0.002 0.000 2.349 255 K HA 0.170 4.482 4.320 -0.013 0.000 0.289 255 K C 0.902 177.507 176.600 0.008 0.000 1.064 255 K CA -0.057 56.238 56.287 0.014 0.000 0.947 255 K CB 0.379 32.905 32.500 0.043 0.000 1.007 255 K HN 0.813 nan 8.250 nan 0.000 0.478 256 R N 2.429 122.919 120.500 -0.016 0.000 2.373 256 R HA 0.247 4.579 4.340 -0.013 0.000 0.221 256 R C -0.340 175.960 176.300 0.001 0.000 0.893 256 R CA -0.209 55.880 56.100 -0.019 0.000 1.049 256 R CB 0.580 30.851 30.300 -0.048 0.000 1.119 256 R HN 0.459 nan 8.270 nan 0.000 0.535 257 E N 0.795 121.016 120.200 0.034 0.000 2.352 257 E HA 0.172 4.514 4.350 -0.013 0.000 0.280 257 E C -1.318 175.429 176.600 0.245 0.000 0.930 257 E CA -0.788 55.679 56.400 0.111 0.000 0.765 257 E CB 2.089 31.837 29.700 0.080 0.000 1.219 257 E HN 0.126 nan 8.360 nan 0.000 0.434 258 E N 3.305 123.622 120.200 0.195 0.000 2.289 258 E HA 0.215 4.557 4.350 -0.013 0.000 0.278 258 E C -2.117 174.561 176.600 0.131 0.000 1.032 258 E CA -1.676 54.817 56.400 0.155 0.000 0.854 258 E CB 0.672 30.415 29.700 0.071 0.000 1.046 258 E HN 0.254 nan 8.360 nan 0.000 0.409 259 P HA 0.126 nan 4.420 nan 0.000 0.274 259 P C 0.069 177.170 177.300 -0.332 0.000 1.231 259 P CA -0.216 62.556 63.100 -0.546 0.000 0.790 259 P CB 1.162 32.543 31.700 -0.532 0.000 0.951 260 T N -0.868 113.442 114.554 -0.406 0.000 2.969 260 T HA 0.090 4.432 4.350 -0.013 0.000 0.250 260 T C -0.264 174.328 174.700 -0.181 0.000 1.021 260 T CA 0.698 62.676 62.100 -0.203 0.000 1.003 260 T CB -0.058 68.734 68.868 -0.127 0.000 1.040 260 T HN 0.471 nan 8.240 nan 0.000 0.492 261 D N 0.627 120.876 120.400 -0.252 0.000 2.602 261 D HA 0.242 4.874 4.640 -0.013 0.000 0.245 261 D C 0.020 176.235 176.300 -0.141 0.000 1.325 261 D CA -0.397 53.510 54.000 -0.155 0.000 0.952 261 D CB 1.235 41.967 40.800 -0.113 0.000 1.317 261 D HN -0.256 nan 8.370 nan 0.000 0.577 262 D N 2.405 122.754 120.400 -0.085 0.000 2.172 262 D HA -0.170 4.462 4.640 -0.013 0.000 0.196 262 D C 1.586 177.878 176.300 -0.013 0.000 0.999 262 D CA 1.441 55.412 54.000 -0.048 0.000 0.856 262 D CB 0.211 40.993 40.800 -0.031 0.000 0.934 262 D HN 0.530 nan 8.370 nan 0.000 0.453 263 A N 0.054 122.871 122.820 -0.005 0.000 2.123 263 A HA -0.060 4.252 4.320 -0.013 0.000 0.214 263 A C 0.954 178.575 177.584 0.061 0.000 1.152 263 A CA 0.094 52.147 52.037 0.027 0.000 0.728 263 A CB 0.160 19.172 19.000 0.020 0.000 0.814 263 A HN -0.025 nan 8.150 nan 0.000 0.464 264 D N 1.184 121.620 120.400 0.059 0.000 2.352 264 D HA 0.165 4.797 4.640 -0.013 0.000 0.245 264 D C 0.693 177.125 176.300 0.221 0.000 1.224 264 D CA 0.729 54.833 54.000 0.173 0.000 0.879 264 D CB 0.780 41.685 40.800 0.174 0.000 1.057 264 D HN 0.215 nan 8.370 nan 0.000 0.491 265 T N 0.474 115.157 114.554 0.215 0.000 3.243 265 T HA 0.146 4.488 4.350 -0.013 0.000 0.264 265 T C 0.484 175.256 174.700 0.119 0.000 1.000 265 T CA -0.485 61.711 62.100 0.160 0.000 0.901 265 T CB -0.521 68.430 68.868 0.138 0.000 1.083 265 T HN 0.265 nan 8.240 nan 0.000 0.559 266 H N 1.188 120.393 119.070 0.226 0.000 2.928 266 H HA 0.286 4.834 4.556 -0.014 0.000 0.338 266 H C 1.493 176.804 175.328 -0.028 0.000 1.047 266 H CA 0.485 56.564 56.048 0.051 0.000 1.435 266 H CB 0.990 30.718 29.762 -0.058 0.000 1.428 266 H HN 0.146 nan 8.280 nan 0.000 0.590 267 S N 2.677 118.367 115.700 -0.018 0.000 2.419 267 S HA -0.201 4.261 4.470 -0.013 0.000 0.233 267 S C 1.851 176.396 174.600 -0.091 0.000 1.016 267 S CA 1.423 59.583 58.200 -0.067 0.000 0.974 267 S CB -0.084 63.057 63.200 -0.099 0.000 0.786 267 S HN 0.714 nan 8.310 nan 0.000 0.492 268 K N 0.728 121.005 120.400 -0.205 0.000 2.360 268 K HA -0.072 4.240 4.320 -0.013 0.000 0.201 268 K C 0.865 177.295 176.600 -0.283 0.000 1.046 268 K CA 1.285 57.392 56.287 -0.299 0.000 0.940 268 K CB -0.503 31.738 32.500 -0.432 0.000 0.748 268 K HN 0.294 nan 8.250 nan 0.000 0.465 269 F N 1.346 121.309 119.950 0.022 0.000 2.789 269 F HA 0.279 4.798 4.527 -0.013 0.000 0.300 269 F C 1.279 177.085 175.800 0.009 0.000 1.132 269 F CA 0.401 58.411 58.000 0.017 0.000 1.404 269 F CB 0.153 39.170 39.000 0.030 0.000 1.114 269 F HN 0.340 nan 8.300 nan 0.000 0.584 270 G N -0.045 108.830 108.800 0.126 0.000 2.497 270 G HA2 -0.154 3.798 3.960 -0.013 0.000 0.686 270 G HA3 -0.154 3.798 3.960 -0.013 0.000 0.686 270 G C -1.034 173.896 174.900 0.050 0.000 1.288 270 G CA -0.906 44.237 45.100 0.072 0.000 0.899 270 G HN 0.068 nan 8.290 nan 0.000 0.608 271 D N -0.053 120.364 120.400 0.029 0.000 2.662 271 D HA 0.028 4.660 4.640 -0.013 0.000 0.233 271 D C 1.694 178.033 176.300 0.065 0.000 1.129 271 D CA 0.214 54.228 54.000 0.024 0.000 0.851 271 D CB 0.565 41.377 40.800 0.020 0.000 1.152 271 D HN 0.429 nan 8.370 nan 0.000 0.507 272 R N 3.220 123.746 120.500 0.044 0.000 2.148 272 R HA -0.029 4.303 4.340 -0.013 0.000 0.223 272 R C 2.034 178.536 176.300 0.337 0.000 1.088 272 R CA 1.315 57.478 56.100 0.105 0.000 0.985 272 R CB -0.310 29.915 30.300 -0.125 0.000 0.880 272 R HN 0.528 nan 8.270 nan 0.000 0.451 273 A N 0.215 123.286 122.820 0.418 0.000 1.930 273 A HA -0.190 4.122 4.320 -0.013 0.000 0.217 273 A C 2.063 179.834 177.584 0.311 0.000 1.175 273 A CA 1.333 53.646 52.037 0.461 0.000 0.627 273 A CB -0.377 18.762 19.000 0.231 0.000 0.815 273 A HN 0.238 nan 8.150 nan 0.000 0.443 274 Q N 0.228 120.134 119.800 0.177 0.000 2.124 274 Q HA -0.120 4.212 4.340 -0.013 0.000 0.202 274 Q C 2.088 178.168 176.000 0.133 0.000 0.977 274 Q CA 1.822 57.701 55.803 0.126 0.000 0.850 274 Q CB -0.310 28.466 28.738 0.063 0.000 0.901 274 Q HN 0.683 nan 8.270 nan 0.000 0.429 275 R N -0.544 120.038 120.500 0.136 0.000 2.073 275 R HA -0.149 4.183 4.340 -0.013 0.000 0.234 275 R C 2.344 178.697 176.300 0.089 0.000 1.134 275 R CA 1.782 57.943 56.100 0.101 0.000 0.952 275 R CB -0.251 30.106 30.300 0.096 0.000 0.850 275 R HN 0.413 nan 8.270 nan 0.000 0.433 276 Q N -0.764 119.113 119.800 0.127 0.000 2.250 276 Q HA -0.002 4.330 4.340 -0.013 0.000 0.200 276 Q C 0.955 176.827 176.000 -0.213 0.000 0.941 276 Q CA 0.968 56.749 55.803 -0.036 0.000 0.872 276 Q CB 0.407 29.139 28.738 -0.010 0.000 0.965 276 Q HN 0.242 nan 8.270 nan 0.000 0.480 277 F N -1.836 118.215 119.950 0.167 0.000 2.727 277 F HA 0.344 4.863 4.527 -0.014 0.000 0.302 277 F C 1.901 177.817 175.800 0.193 0.000 1.107 277 F CA 0.260 58.398 58.000 0.230 0.000 1.277 277 F CB 0.082 39.178 39.000 0.160 0.000 1.079 277 F HN 0.118 nan 8.300 nan 0.000 0.594 278 G N 1.800 110.754 108.800 0.257 0.000 2.440 278 G HA2 -0.206 3.746 3.960 -0.013 0.000 0.218 278 G HA3 -0.206 3.746 3.960 -0.013 0.000 0.218 278 G C -0.675 174.271 174.900 0.077 0.000 1.154 278 G CA 0.905 46.096 45.100 0.152 0.000 0.767 278 G HN 0.203 nan 8.290 nan 0.000 0.552 279 P HA -0.061 nan 4.420 nan 0.000 0.216 279 P C 1.395 178.650 177.300 -0.075 0.000 1.153 279 P CA 1.428 64.520 63.100 -0.013 0.000 0.858 279 P CB 0.076 31.765 31.700 -0.018 0.000 0.789 280 E N -2.631 117.472 120.200 -0.161 0.000 2.276 280 E HA 0.073 4.415 4.350 -0.013 0.000 0.193 280 E C 1.091 177.321 176.600 -0.616 0.000 0.983 280 E CA 0.744 56.871 56.400 -0.455 0.000 0.861 280 E CB -0.333 28.934 29.700 -0.720 0.000 0.817 280 E HN 0.284 nan 8.360 nan 0.000 0.485 281 F N -0.745 119.222 119.950 0.028 0.000 2.728 281 F HA 0.458 4.977 4.527 -0.014 0.000 0.314 281 F C 1.107 176.900 175.800 -0.012 0.000 1.094 281 F CA 0.369 58.366 58.000 -0.006 0.000 1.217 281 F CB 0.841 39.821 39.000 -0.033 0.000 1.056 281 F HN 0.038 nan 8.300 nan 0.000 0.577 282 G N 0.921 109.790 108.800 0.115 0.000 2.610 282 G HA2 -0.163 3.789 3.960 -0.013 0.000 0.304 282 G HA3 -0.163 3.789 3.960 -0.013 0.000 0.304 282 G C -2.323 172.605 174.900 0.047 0.000 1.309 282 G CA -0.640 44.498 45.100 0.062 0.000 0.906 282 G HN -0.075 nan 8.290 nan 0.000 0.521 283 P HA 0.106 nan 4.420 nan 0.000 0.226 283 P C 1.613 178.881 177.300 -0.053 0.000 1.153 283 P CA 1.845 64.941 63.100 -0.006 0.000 0.777 283 P CB 0.146 31.845 31.700 -0.002 0.000 0.794 284 T N -0.909 113.613 114.554 -0.054 0.000 3.088 284 T HA 0.179 4.521 4.350 -0.013 0.000 0.259 284 T C 0.901 175.504 174.700 -0.161 0.000 1.122 284 T CA 0.069 62.096 62.100 -0.121 0.000 1.095 284 T CB -0.525 68.299 68.868 -0.073 0.000 0.930 284 T HN -0.006 nan 8.240 nan 0.000 0.508 285 A N 2.104 124.875 122.820 -0.081 0.000 2.545 285 A HA 0.556 4.868 4.320 -0.013 0.000 0.297 285 A C -0.275 177.246 177.584 -0.104 0.000 1.340 285 A CA 0.087 52.075 52.037 -0.081 0.000 1.016 285 A CB -0.593 18.458 19.000 0.085 0.000 1.122 285 A HN 0.522 nan 8.150 nan 0.000 0.537 286 L N 1.025 122.121 121.223 -0.211 0.000 2.350 286 L HA 0.381 4.712 4.340 -0.013 0.000 0.260 286 L C 1.130 177.937 176.870 -0.105 0.000 1.015 286 L CA -0.765 53.945 54.840 -0.216 0.000 0.821 286 L CB 1.611 43.332 42.059 -0.563 0.000 1.370 286 L HN 0.706 nan 8.230 nan 0.000 0.416 287 E N 1.347 121.574 120.200 0.045 0.000 2.058 287 E HA -0.187 4.155 4.350 -0.013 0.000 0.194 287 E C 1.799 178.535 176.600 0.227 0.000 0.997 287 E CA 1.623 58.141 56.400 0.197 0.000 0.801 287 E CB -0.068 29.768 29.700 0.226 0.000 0.746 287 E HN 0.946 nan 8.360 nan 0.000 0.450 288 G N 1.093 110.089 108.800 0.327 0.000 2.462 288 G HA2 -0.236 3.715 3.960 -0.013 0.000 0.220 288 G HA3 -0.236 3.715 3.960 -0.013 0.000 0.220 288 G C 1.326 176.428 174.900 0.337 0.000 1.121 288 G CA 0.595 45.985 45.100 0.482 0.000 0.758 288 G HN 0.125 nan 8.290 nan 0.000 0.559 289 N N 0.109 118.881 118.700 0.120 0.000 2.336 289 N HA 0.093 4.825 4.740 -0.013 0.000 0.189 289 N C 0.530 175.987 175.510 -0.089 0.000 1.113 289 N CA 0.130 53.184 53.050 0.007 0.000 0.858 289 N CB 0.164 38.569 38.487 -0.138 0.000 0.970 289 N HN 0.163 nan 8.380 nan 0.000 0.471 290 M N 1.353 120.885 119.600 -0.113 0.000 2.557 290 M HA 0.210 4.682 4.480 -0.013 0.000 0.328 290 M C 0.009 176.218 176.300 -0.152 0.000 1.423 290 M CA 0.213 55.362 55.300 -0.252 0.000 1.418 290 M CB -0.013 32.345 32.600 -0.404 0.000 1.381 290 M HN -0.159 nan 8.290 nan 0.000 0.467 291 M N 5.335 124.876 119.600 -0.099 0.000 3.237 291 M HA 0.336 4.808 4.480 -0.013 0.000 0.266 291 M C -0.405 175.932 176.300 0.061 0.000 1.456 291 M CA 0.302 55.613 55.300 0.019 0.000 1.593 291 M CB -1.083 31.596 32.600 0.131 0.000 1.129 291 M HN 0.493 nan 8.290 nan 0.000 0.547 292 L N 0.806 122.016 121.223 -0.022 0.000 2.303 292 L HA 0.527 4.858 4.340 -0.013 0.000 0.266 292 L C 0.681 177.454 176.870 -0.163 0.000 1.011 292 L CA -1.123 53.698 54.840 -0.031 0.000 0.818 292 L CB 1.842 43.853 42.059 -0.080 0.000 1.326 292 L HN 0.438 nan 8.230 nan 0.000 0.435 293 K N 0.494 120.615 120.400 -0.465 0.000 2.569 293 K HA 0.007 4.319 4.320 -0.013 0.000 0.280 293 K C 1.029 177.427 176.600 -0.337 0.000 0.984 293 K CA 1.354 57.149 56.287 -0.820 0.000 1.064 293 K CB 0.095 32.120 32.500 -0.793 0.000 0.866 293 K HN 0.803 nan 8.250 nan 0.000 0.492 294 G N 4.182 112.848 108.800 -0.224 0.000 2.990 294 G HA2 -0.363 3.589 3.960 -0.013 0.000 0.225 294 G HA3 -0.363 3.589 3.960 -0.013 0.000 0.225 294 G C 0.992 175.842 174.900 -0.084 0.000 1.304 294 G CA 0.291 45.321 45.100 -0.118 0.000 0.816 294 G HN 0.661 nan 8.290 nan 0.000 0.528 295 R N 1.123 121.526 120.500 -0.162 0.000 2.096 295 R HA -0.018 4.314 4.340 -0.013 0.000 0.235 295 R C 2.827 179.114 176.300 -0.023 0.000 1.127 295 R CA 2.374 58.337 56.100 -0.228 0.000 0.968 295 R CB -1.872 28.110 30.300 -0.530 0.000 0.861 295 R HN 0.825 nan 8.270 nan 0.000 0.440 296 T N -1.842 112.711 114.554 -0.001 0.000 3.023 296 T HA 0.058 4.400 4.350 -0.013 0.000 0.266 296 T C 2.007 176.839 174.700 0.219 0.000 1.093 296 T CA 1.037 63.166 62.100 0.049 0.000 1.129 296 T CB -0.094 68.834 68.868 0.099 0.000 0.899 296 T HN 0.025 nan 8.240 nan 0.000 0.491 297 S N 1.499 117.297 115.700 0.163 0.000 2.368 297 S HA -0.072 4.390 4.470 -0.013 0.000 0.224 297 S C 2.291 176.821 174.600 -0.117 0.000 1.029 297 S CA 1.521 59.662 58.200 -0.098 0.000 0.988 297 S CB -0.732 62.373 63.200 -0.158 0.000 0.838 297 S HN 0.663 nan 8.310 nan 0.000 0.462 298 T N 2.577 117.108 114.554 -0.038 0.000 2.708 298 T HA -0.033 4.309 4.350 -0.013 0.000 0.266 298 T C 1.773 176.405 174.700 -0.113 0.000 1.037 298 T CA 1.127 63.200 62.100 -0.044 0.000 1.146 298 T CB -0.398 68.520 68.868 0.083 0.000 0.865 298 T HN 0.180 nan 8.240 nan 0.000 0.435 299 L N -0.071 121.059 121.223 -0.155 0.000 2.023 299 L HA 0.061 4.393 4.340 -0.013 0.000 0.205 299 L C 1.447 178.068 176.870 -0.413 0.000 1.073 299 L CA 1.756 56.362 54.840 -0.390 0.000 0.745 299 L CB -0.621 41.058 42.059 -0.634 0.000 0.900 299 L HN 0.249 nan 8.230 nan 0.000 0.435 300 Y N -1.890 118.378 120.300 -0.052 0.000 2.485 300 Y HA 0.280 4.823 4.550 -0.013 0.000 0.260 300 Y C 2.128 178.076 175.900 0.080 0.000 1.173 300 Y CA 0.455 58.571 58.100 0.027 0.000 1.252 300 Y CB 0.252 38.715 38.460 0.005 0.000 1.123 300 Y HN 0.258 nan 8.280 nan 0.000 0.524 301 S N -1.093 114.622 115.700 0.025 0.000 3.792 301 S HA 0.030 4.492 4.470 -0.013 0.000 0.229 301 S C 1.522 176.053 174.600 -0.115 0.000 1.118 301 S CA 0.220 58.360 58.200 -0.101 0.000 0.877 301 S CB -0.203 62.778 63.200 -0.365 0.000 1.077 301 S HN 0.274 nan 8.310 nan 0.000 0.546 302 E N 1.888 122.009 120.200 -0.131 0.000 2.070 302 E HA -0.180 4.162 4.350 -0.013 0.000 0.197 302 E C 1.899 178.496 176.600 -0.005 0.000 1.004 302 E CA 1.544 57.899 56.400 -0.075 0.000 0.805 302 E CB -0.200 29.440 29.700 -0.099 0.000 0.744 302 E HN 0.524 nan 8.360 nan 0.000 0.451 303 N N 0.420 119.087 118.700 -0.055 0.000 2.220 303 N HA -0.079 4.653 4.740 -0.013 0.000 0.182 303 N C 1.887 177.367 175.510 -0.050 0.000 1.023 303 N CA 1.169 54.192 53.050 -0.045 0.000 0.856 303 N CB 0.011 38.419 38.487 -0.132 0.000 0.997 303 N HN 0.105 nan 8.380 nan 0.000 0.429 304 A N 1.706 124.497 122.820 -0.049 0.000 1.877 304 A HA -0.117 4.195 4.320 -0.013 0.000 0.216 304 A C 2.252 179.805 177.584 -0.052 0.000 1.186 304 A CA 1.055 53.081 52.037 -0.019 0.000 0.620 304 A CB -0.916 18.108 19.000 0.041 0.000 0.822 304 A HN 0.368 nan 8.150 nan 0.000 0.443 305 L N -0.674 120.498 121.223 -0.086 0.000 1.989 305 L HA -0.210 4.121 4.340 -0.013 0.000 0.211 305 L C 2.488 179.247 176.870 -0.185 0.000 1.071 305 L CA 2.631 57.395 54.840 -0.128 0.000 0.749 305 L CB -0.504 41.455 42.059 -0.167 0.000 0.890 305 L HN 0.524 nan 8.230 nan 0.000 0.431 306 M N -0.879 118.553 119.600 -0.279 0.000 2.080 306 M HA -0.275 4.197 4.480 -0.013 0.000 0.260 306 M C 2.206 178.414 176.300 -0.153 0.000 1.068 306 M CA 1.992 57.053 55.300 -0.400 0.000 1.109 306 M CB -0.672 31.487 32.600 -0.734 0.000 1.342 306 M HN 0.480 nan 8.290 nan 0.000 0.405 307 Q N 0.081 119.839 119.800 -0.069 0.000 2.170 307 Q HA -0.132 4.200 4.340 -0.013 0.000 0.203 307 Q C 2.202 178.195 176.000 -0.011 0.000 0.976 307 Q CA 1.407 57.212 55.803 0.002 0.000 0.858 307 Q CB -0.174 28.591 28.738 0.046 0.000 0.907 307 Q HN 0.556 nan 8.270 nan 0.000 0.433 308 L N 0.286 121.492 121.223 -0.028 0.000 1.989 308 L HA -0.266 4.066 4.340 -0.013 0.000 0.211 308 L C 2.621 179.478 176.870 -0.020 0.000 1.071 308 L CA 1.337 56.162 54.840 -0.025 0.000 0.749 308 L CB -0.410 41.633 42.059 -0.028 0.000 0.890 308 L HN 0.232 nan 8.230 nan 0.000 0.431 309 Q N 0.266 120.047 119.800 -0.031 0.000 2.084 309 Q HA -0.176 4.156 4.340 -0.013 0.000 0.202 309 Q C 2.167 178.185 176.000 0.029 0.000 0.978 309 Q CA 1.716 57.515 55.803 -0.006 0.000 0.844 309 Q CB -0.320 28.401 28.738 -0.029 0.000 0.898 309 Q HN 0.418 nan 8.270 nan 0.000 0.426 310 L N -0.876 120.373 121.223 0.044 0.000 2.017 310 L HA -0.139 4.193 4.340 -0.013 0.000 0.208 310 L C 2.283 179.163 176.870 0.016 0.000 1.073 310 L CA 1.283 56.164 54.840 0.069 0.000 0.745 310 L CB -1.128 40.992 42.059 0.100 0.000 0.894 310 L HN 0.466 nan 8.230 nan 0.000 0.432 311 G N 0.072 108.861 108.800 -0.018 0.000 2.513 311 G HA2 -0.361 3.591 3.960 -0.013 0.000 0.219 311 G HA3 -0.361 3.591 3.960 -0.013 0.000 0.219 311 G C 1.665 176.537 174.900 -0.048 0.000 1.160 311 G CA 1.239 46.301 45.100 -0.063 0.000 0.767 311 G HN 0.327 nan 8.290 nan 0.000 0.571 312 K N 0.160 120.546 120.400 -0.023 0.000 1.985 312 K HA -0.128 4.183 4.320 -0.013 0.000 0.210 312 K C 2.046 178.645 176.600 -0.001 0.000 1.047 312 K CA 1.691 57.971 56.287 -0.012 0.000 0.932 312 K CB -0.224 32.277 32.500 0.002 0.000 0.716 312 K HN 0.119 nan 8.250 nan 0.000 0.439 313 D N 0.822 121.234 120.400 0.019 0.000 2.219 313 D HA -0.112 4.519 4.640 -0.013 0.000 0.205 313 D C 1.866 178.182 176.300 0.027 0.000 0.970 313 D CA 0.778 54.797 54.000 0.031 0.000 0.851 313 D CB 0.014 40.852 40.800 0.062 0.000 0.943 313 D HN 0.274 nan 8.370 nan 0.000 0.488 314 L N -0.178 121.058 121.223 0.022 0.000 2.376 314 L HA 0.063 4.395 4.340 -0.013 0.000 0.219 314 L C 1.785 178.661 176.870 0.009 0.000 1.133 314 L CA 0.438 55.297 54.840 0.031 0.000 0.816 314 L CB -0.541 41.508 42.059 -0.015 0.000 0.933 314 L HN 0.111 nan 8.230 nan 0.000 0.449 315 G N 0.942 109.733 108.800 -0.014 0.000 2.622 315 G HA2 -0.347 3.605 3.960 -0.013 0.000 0.307 315 G HA3 -0.347 3.605 3.960 -0.013 0.000 0.307 315 G C -1.283 173.590 174.900 -0.045 0.000 1.226 315 G CA 0.279 45.365 45.100 -0.024 0.000 0.997 315 G HN 0.229 nan 8.290 nan 0.000 0.551 316 P HA -0.060 nan 4.420 nan 0.000 0.221 316 P C 1.312 178.559 177.300 -0.087 0.000 1.145 316 P CA 1.822 64.890 63.100 -0.054 0.000 0.795 316 P CB -0.064 31.616 31.700 -0.034 0.000 0.775 317 Q N -1.190 118.554 119.800 -0.093 0.000 2.360 317 Q HA 0.173 4.505 4.340 -0.013 0.000 0.202 317 Q C 1.749 177.626 176.000 -0.205 0.000 0.915 317 Q CA 0.765 56.459 55.803 -0.182 0.000 0.943 317 Q CB -0.097 28.480 28.738 -0.268 0.000 1.064 317 Q HN 0.309 nan 8.270 nan 0.000 0.511 318 G N -0.200 108.503 108.800 -0.161 0.000 3.596 318 G HA2 0.033 3.985 3.960 -0.013 0.000 0.274 318 G HA3 0.033 3.985 3.960 -0.013 0.000 0.274 318 G C 1.018 175.779 174.900 -0.231 0.000 1.007 318 G CA -0.197 44.789 45.100 -0.190 0.000 0.825 318 G HN 0.119 nan 8.290 nan 0.000 0.508 319 Q N 1.244 120.915 119.800 -0.215 0.000 2.084 319 Q HA -0.138 4.194 4.340 -0.013 0.000 0.202 319 Q C 2.137 177.940 176.000 -0.329 0.000 0.978 319 Q CA 1.718 57.394 55.803 -0.211 0.000 0.844 319 Q CB -0.011 28.636 28.738 -0.152 0.000 0.898 319 Q HN 0.605 nan 8.270 nan 0.000 0.426 320 D N 0.894 121.019 120.400 -0.459 0.000 2.097 320 D HA -0.188 4.444 4.640 -0.013 0.000 0.197 320 D C 1.919 177.326 176.300 -1.488 0.000 0.984 320 D CA 0.682 54.196 54.000 -0.810 0.000 0.826 320 D CB -0.699 39.714 40.800 -0.645 0.000 0.973 320 D HN 0.135 nan 8.370 nan 0.000 0.460 321 L N -0.126 120.371 121.223 -1.211 0.000 1.997 321 L HA -0.153 4.179 4.340 -0.013 0.000 0.216 321 L C 2.378 179.006 176.870 -0.403 0.000 1.074 321 L CA 1.530 55.878 54.840 -0.819 0.000 0.763 321 L CB -0.994 40.844 42.059 -0.367 0.000 0.890 321 L HN 0.170 nan 8.230 nan 0.000 0.434 322 L N -0.149 120.887 121.223 -0.312 0.000 1.994 322 L HA -0.242 4.090 4.340 -0.013 0.000 0.208 322 L C 2.645 179.446 176.870 -0.115 0.000 1.071 322 L CA 2.399 57.145 54.840 -0.158 0.000 0.745 322 L CB -0.854 41.126 42.059 -0.132 0.000 0.892 322 L HN 0.448 nan 8.230 nan 0.000 0.431 323 K N -1.159 119.130 120.400 -0.184 0.000 2.034 323 K HA -0.261 4.050 4.320 -0.013 0.000 0.214 323 K C 2.008 178.661 176.600 0.087 0.000 1.051 323 K CA 2.413 58.655 56.287 -0.075 0.000 0.931 323 K CB -0.497 31.938 32.500 -0.109 0.000 0.715 323 K HN 0.409 nan 8.250 nan 0.000 0.446 324 W N 0.999 122.312 121.300 0.021 0.000 2.338 324 W HA -0.110 4.541 4.660 -0.015 0.000 0.304 324 W C 2.277 178.828 176.519 0.052 0.000 1.212 324 W CA 1.428 58.795 57.345 0.035 0.000 1.264 324 W CB -1.479 27.996 29.460 0.025 0.000 1.142 324 W HN 0.212 nan 8.180 nan 0.000 0.512 325 T N 0.836 115.533 114.554 0.239 0.000 2.770 325 T HA -0.115 4.227 4.350 -0.013 0.000 0.263 325 T C 2.071 176.845 174.700 0.124 0.000 1.039 325 T CA 1.778 63.974 62.100 0.161 0.000 1.142 325 T CB -0.809 68.112 68.868 0.087 0.000 0.868 325 T HN -0.115 nan 8.240 nan 0.000 0.435 326 V N 2.315 122.278 119.914 0.083 0.000 2.343 326 V HA -0.171 3.941 4.120 -0.013 0.000 0.247 326 V C 2.361 178.519 176.094 0.108 0.000 1.051 326 V CA 1.727 64.066 62.300 0.065 0.000 1.036 326 V CB -0.668 31.178 31.823 0.038 0.000 0.654 326 V HN 0.378 nan 8.190 nan 0.000 0.451 327 D N 0.799 121.283 120.400 0.140 0.000 2.117 327 D HA -0.112 4.520 4.640 -0.013 0.000 0.197 327 D C 2.223 178.638 176.300 0.191 0.000 0.987 327 D CA 1.658 55.755 54.000 0.162 0.000 0.829 327 D CB -0.633 40.274 40.800 0.179 0.000 0.961 327 D HN 0.463 nan 8.370 nan 0.000 0.460 328 G N 0.529 109.467 108.800 0.230 0.000 2.418 328 G HA2 -0.183 3.769 3.960 -0.013 0.000 0.217 328 G HA3 -0.183 3.769 3.960 -0.013 0.000 0.217 328 G C 1.781 176.838 174.900 0.261 0.000 1.158 328 G CA 0.298 45.592 45.100 0.325 0.000 0.771 328 G HN 0.249 nan 8.290 nan 0.000 0.545 329 L N -0.035 121.292 121.223 0.173 0.000 2.056 329 L HA -0.041 4.291 4.340 -0.013 0.000 0.207 329 L C 2.964 179.942 176.870 0.179 0.000 1.078 329 L CA 1.255 56.110 54.840 0.026 0.000 0.749 329 L CB -0.299 41.634 42.059 -0.211 0.000 0.901 329 L HN 0.161 nan 8.230 nan 0.000 0.433 330 K N 0.123 120.631 120.400 0.179 0.000 2.032 330 K HA -0.202 4.110 4.320 -0.013 0.000 0.209 330 K C 2.252 178.987 176.600 0.225 0.000 1.048 330 K CA 1.562 57.975 56.287 0.210 0.000 0.927 330 K CB -0.376 32.224 32.500 0.166 0.000 0.712 330 K HN 0.303 nan 8.250 nan 0.000 0.441 331 A N 1.115 124.077 122.820 0.236 0.000 1.883 331 A HA -0.200 4.112 4.320 -0.013 0.000 0.217 331 A C 2.034 179.838 177.584 0.366 0.000 1.186 331 A CA 1.361 53.591 52.037 0.321 0.000 0.624 331 A CB -0.741 18.416 19.000 0.262 0.000 0.822 331 A HN 0.333 nan 8.150 nan 0.000 0.444 332 F N 0.986 120.928 119.950 -0.014 0.000 2.102 332 F HA -0.092 4.428 4.527 -0.013 0.000 0.298 332 F C 2.581 178.467 175.800 0.144 0.000 1.105 332 F CA 0.868 58.796 58.000 -0.120 0.000 1.239 332 F CB -0.769 37.745 39.000 -0.809 0.000 0.991 332 F HN 0.261 nan 8.300 nan 0.000 0.474 333 A N 0.165 123.084 122.820 0.165 0.000 1.865 333 A HA -0.274 4.038 4.320 -0.013 0.000 0.217 333 A C 2.370 179.976 177.584 0.037 0.000 1.191 333 A CA 2.080 54.146 52.037 0.049 0.000 0.623 333 A CB -0.959 18.114 19.000 0.121 0.000 0.826 333 A HN 0.454 nan 8.150 nan 0.000 0.444 334 K N -1.775 118.676 120.400 0.085 0.000 2.009 334 K HA -0.197 4.115 4.320 -0.013 0.000 0.210 334 K C 1.877 178.396 176.600 -0.136 0.000 1.049 334 K CA 2.036 58.307 56.287 -0.028 0.000 0.929 334 K CB -0.361 32.126 32.500 -0.023 0.000 0.714 334 K HN 0.548 nan 8.250 nan 0.000 0.440 335 Y N -0.762 119.552 120.300 0.023 0.000 2.314 335 Y HA 0.043 4.585 4.550 -0.013 0.000 0.294 335 Y C 2.127 178.011 175.900 -0.026 0.000 1.119 335 Y CA 1.132 59.242 58.100 0.016 0.000 1.179 335 Y CB 0.258 38.758 38.460 0.065 0.000 1.025 335 Y HN 0.229 nan 8.280 nan 0.000 0.541 336 A N -2.273 120.587 122.820 0.066 0.000 2.192 336 A HA 0.091 4.403 4.320 -0.013 0.000 0.208 336 A C -0.184 177.306 177.584 -0.156 0.000 1.220 336 A CA -0.141 51.878 52.037 -0.029 0.000 0.900 336 A CB -0.399 18.576 19.000 -0.042 0.000 0.937 336 A HN 0.276 nan 8.150 nan 0.000 0.487 337 Y N 1.322 121.367 120.300 -0.426 0.000 2.319 337 Y HA 0.497 5.039 4.550 -0.013 0.000 0.328 337 Y C -0.261 175.324 175.900 -0.526 0.000 1.133 337 Y CA -1.161 56.467 58.100 -0.787 0.000 1.265 337 Y CB 0.433 38.347 38.460 -0.910 0.000 1.218 337 Y HN 0.237 nan 8.280 nan 0.000 0.508 338 N N 4.148 122.102 118.700 -1.244 0.000 2.569 338 N HA 0.143 4.875 4.740 -0.013 0.000 0.254 338 N C -0.056 174.704 175.510 -1.250 0.000 1.004 338 N CA -0.546 51.941 53.050 -0.938 0.000 0.904 338 N CB 0.530 38.670 38.487 -0.578 0.000 1.165 338 N HN 0.674 nan 8.380 nan 0.000 0.513 339 D N 2.270 122.064 120.400 -1.010 0.000 2.312 339 D HA -0.162 4.470 4.640 -0.013 0.000 0.211 339 D C 0.868 176.927 176.300 -0.402 0.000 0.964 339 D CA 1.058 54.624 54.000 -0.723 0.000 0.877 339 D CB 0.150 40.783 40.800 -0.279 0.000 0.924 339 D HN 0.591 nan 8.370 nan 0.000 0.515 340 Q N 0.104 119.694 119.800 -0.350 0.000 2.119 340 Q HA -0.117 4.215 4.340 -0.013 0.000 0.201 340 Q C 0.597 176.475 176.000 -0.204 0.000 0.972 340 Q CA 1.675 57.342 55.803 -0.227 0.000 0.847 340 Q CB 0.052 28.677 28.738 -0.189 0.000 0.903 340 Q HN 0.512 nan 8.270 nan 0.000 0.433 341 D N -2.100 118.149 120.400 -0.253 0.000 2.479 341 D HA 0.009 4.641 4.640 -0.013 0.000 0.218 341 D C -0.492 175.678 176.300 -0.217 0.000 1.177 341 D CA -0.388 53.495 54.000 -0.194 0.000 0.830 341 D CB -0.333 40.373 40.800 -0.156 0.000 1.014 341 D HN 0.028 nan 8.370 nan 0.000 0.503 342 N N 0.626 119.133 118.700 -0.322 0.000 2.671 342 N HA -0.193 4.539 4.740 -0.013 0.000 0.261 342 N C -1.162 174.191 175.510 -0.261 0.000 1.053 342 N CA 1.334 54.222 53.050 -0.270 0.000 0.732 342 N CB -1.428 37.013 38.487 -0.076 0.000 0.887 342 N HN 0.524 nan 8.380 nan 0.000 0.546 343 T N -2.048 112.217 114.554 -0.481 0.000 2.916 343 T HA 0.710 5.052 4.350 -0.013 0.000 0.292 343 T C -0.228 174.079 174.700 -0.655 0.000 1.055 343 T CA -0.828 61.019 62.100 -0.422 0.000 1.009 343 T CB 1.003 69.684 68.868 -0.312 0.000 1.118 343 T HN 0.103 nan 8.240 nan 0.000 0.497 344 F N 0.932 120.511 119.950 -0.618 0.000 2.421 344 F HA 0.565 5.085 4.527 -0.013 0.000 0.337 344 F C 1.150 176.528 175.800 -0.703 0.000 1.105 344 F CA -1.022 56.547 58.000 -0.718 0.000 1.049 344 F CB 1.573 40.087 39.000 -0.810 0.000 1.139 344 F HN 0.394 nan 8.300 nan 0.000 0.479 345 R N 3.932 124.319 120.500 -0.189 0.000 2.390 345 R HA 0.286 4.618 4.340 -0.013 0.000 0.291 345 R C -2.440 173.909 176.300 0.081 0.000 1.070 345 R CA -1.695 54.359 56.100 -0.076 0.000 1.014 345 R CB 0.237 30.504 30.300 -0.055 0.000 1.007 345 R HN 0.305 nan 8.270 nan 0.000 0.466 346 P HA 0.024 nan 4.420 nan 0.000 0.271 346 P C -0.786 176.541 177.300 0.044 0.000 1.216 346 P CA 0.467 63.685 63.100 0.197 0.000 0.771 346 P CB 0.938 32.744 31.700 0.177 0.000 0.864 347 M N 2.282 121.882 119.600 0.000 0.000 2.622 347 M HA 0.436 4.908 4.480 -0.013 0.000 0.276 347 M C -0.291 175.887 176.300 -0.203 0.000 1.265 347 M CA -0.953 54.293 55.300 -0.090 0.000 0.850 347 M CB 2.412 35.029 32.600 0.028 0.000 1.720 347 M HN 0.138 nan 8.290 nan 0.000 0.465 348 I N 0.713 121.111 120.570 -0.287 0.000 2.428 348 I HA 0.358 4.520 4.170 -0.013 0.000 0.296 348 I C 1.162 177.186 176.117 -0.156 0.000 0.985 348 I CA -0.423 60.706 61.300 -0.286 0.000 1.260 348 I CB 1.705 39.470 38.000 -0.392 0.000 1.389 348 I HN 0.938 nan 8.210 nan 0.000 0.484 349 A N 4.459 127.215 122.820 -0.108 0.000 2.076 349 A HA -0.208 4.104 4.320 -0.013 0.000 0.220 349 A C 1.821 179.343 177.584 -0.103 0.000 1.160 349 A CA 1.931 53.932 52.037 -0.061 0.000 0.653 349 A CB -0.868 18.134 19.000 0.004 0.000 0.801 349 A HN 0.923 nan 8.150 nan 0.000 0.455 350 N N -0.971 117.666 118.700 -0.104 0.000 2.571 350 N HA 0.176 4.908 4.740 -0.013 0.000 0.189 350 N C 1.016 176.472 175.510 -0.091 0.000 1.154 350 N CA 1.451 54.449 53.050 -0.087 0.000 0.907 350 N CB -0.451 38.002 38.487 -0.058 0.000 0.977 350 N HN 0.829 nan 8.380 nan 0.000 0.449 351 G N -0.939 107.795 108.800 -0.111 0.000 2.184 351 G HA2 -0.263 3.689 3.960 -0.013 0.000 0.206 351 G HA3 -0.263 3.689 3.960 -0.013 0.000 0.206 351 G C -0.302 174.599 174.900 0.002 0.000 0.995 351 G CA 0.035 45.108 45.100 -0.045 0.000 0.651 351 G HN 0.617 nan 8.290 nan 0.000 0.511 352 Q N 1.622 121.375 119.800 -0.079 0.000 2.286 352 Q HA 0.458 4.790 4.340 -0.013 0.000 0.267 352 Q C -0.252 175.657 176.000 -0.152 0.000 1.028 352 Q CA -0.171 55.556 55.803 -0.127 0.000 0.901 352 Q CB 0.768 29.339 28.738 -0.278 0.000 1.183 352 Q HN 0.228 nan 8.270 nan 0.000 0.392 353 D N 4.122 124.478 120.400 -0.072 0.000 2.317 353 D HA 0.071 4.703 4.640 -0.013 0.000 0.252 353 D C -0.052 176.199 176.300 -0.081 0.000 1.174 353 D CA 0.054 54.025 54.000 -0.048 0.000 0.866 353 D CB 0.749 41.553 40.800 0.005 0.000 1.127 353 D HN 0.750 nan 8.370 nan 0.000 0.467 354 L N 2.191 123.357 121.223 -0.094 0.000 2.640 354 L HA 0.123 4.455 4.340 -0.013 0.000 0.230 354 L C 0.750 177.686 176.870 0.109 0.000 1.123 354 L CA -0.199 54.611 54.840 -0.049 0.000 0.900 354 L CB 0.064 42.036 42.059 -0.146 0.000 1.146 354 L HN 0.186 nan 8.230 nan 0.000 0.484 355 S N 1.657 117.403 115.700 0.077 0.000 2.575 355 S HA -0.036 4.426 4.470 -0.013 0.000 0.295 355 S C 0.702 175.376 174.600 0.124 0.000 1.267 355 S CA -0.010 58.242 58.200 0.087 0.000 1.074 355 S CB 0.064 63.286 63.200 0.037 0.000 0.829 355 S HN 0.474 nan 8.310 nan 0.000 0.497 356 N N 0.418 119.193 118.700 0.125 0.000 2.741 356 N HA -0.212 4.520 4.740 -0.013 0.000 0.250 356 N C -0.920 174.693 175.510 0.171 0.000 1.115 356 N CA 0.719 53.839 53.050 0.117 0.000 0.724 356 N CB -1.708 36.828 38.487 0.081 0.000 1.090 356 N HN 0.724 nan 8.380 nan 0.000 0.558 357 Y N 1.039 121.401 120.300 0.104 0.000 2.327 357 Y HA 0.340 4.882 4.550 -0.013 0.000 0.336 357 Y C 0.328 176.307 175.900 0.132 0.000 1.035 357 Y CA -0.247 57.941 58.100 0.146 0.000 1.165 357 Y CB 0.844 39.433 38.460 0.215 0.000 1.181 357 Y HN 0.013 nan 8.280 nan 0.000 0.494 358 T N 7.744 121.981 114.554 -0.528 0.000 2.771 358 T HA 0.330 4.672 4.350 -0.013 0.000 0.291 358 T C -0.052 174.259 174.700 -0.648 0.000 0.954 358 T CA -0.576 61.272 62.100 -0.420 0.000 1.045 358 T CB 0.210 68.924 68.868 -0.257 0.000 0.917 358 T HN 0.524 nan 8.240 nan 0.000 0.484 359 L N 6.686 127.747 121.223 -0.271 0.000 2.500 359 L HA 0.177 4.509 4.340 -0.013 0.000 0.272 359 L C -1.013 175.760 176.870 -0.161 0.000 1.149 359 L CA -1.481 53.262 54.840 -0.161 0.000 0.897 359 L CB 0.523 42.560 42.059 -0.037 0.000 1.178 359 L HN 0.469 nan 8.230 nan 0.000 0.473 360 P HA -0.016 nan 4.420 nan 0.000 0.249 360 P C -0.321 176.938 177.300 -0.069 0.000 1.229 360 P CA 0.520 63.559 63.100 -0.101 0.000 0.788 360 P CB 0.304 31.964 31.700 -0.066 0.000 1.072 361 R N -1.892 118.567 120.500 -0.068 0.000 2.664 361 R HA 0.388 4.720 4.340 -0.013 0.000 0.266 361 R C -1.460 174.817 176.300 -0.038 0.000 1.046 361 R CA -0.846 55.225 56.100 -0.048 0.000 0.885 361 R CB 0.184 30.458 30.300 -0.044 0.000 1.254 361 R HN -0.339 nan 8.270 nan 0.000 0.465 362 D N 0.072 120.460 120.400 -0.020 0.000 2.390 362 D HA 0.492 5.124 4.640 -0.013 0.000 0.236 362 D C 0.532 176.843 176.300 0.018 0.000 1.189 362 D CA 1.348 55.348 54.000 -0.000 0.000 0.887 362 D CB 1.136 41.937 40.800 0.002 0.000 1.198 362 D HN 0.807 nan 8.370 nan 0.000 0.444 363 G N -0.902 107.929 108.800 0.051 0.000 2.315 363 G HA2 -0.025 3.927 3.960 -0.013 0.000 0.294 363 G HA3 -0.025 3.927 3.960 -0.013 0.000 0.294 363 G C -0.399 174.581 174.900 0.135 0.000 1.300 363 G CA -0.717 44.446 45.100 0.105 0.000 0.843 363 G HN 0.337 nan 8.290 nan 0.000 0.527 364 Y N -0.217 120.075 120.300 -0.014 0.000 2.315 364 Y HA -0.025 4.517 4.550 -0.013 0.000 0.288 364 Y C 1.969 177.685 175.900 -0.306 0.000 1.154 364 Y CA 2.103 60.078 58.100 -0.209 0.000 1.229 364 Y CB -0.022 38.211 38.460 -0.379 0.000 0.980 364 Y HN 0.429 nan 8.280 nan 0.000 0.540 365 Y N -0.437 119.933 120.300 0.117 0.000 2.458 365 Y HA 0.462 5.003 4.550 -0.014 0.000 0.256 365 Y C 1.013 176.942 175.900 0.050 0.000 1.159 365 Y CA 0.255 58.401 58.100 0.076 0.000 1.261 365 Y CB 0.519 39.171 38.460 0.320 0.000 1.119 365 Y HN 0.022 nan 8.280 nan 0.000 0.524 366 G N -0.090 108.779 108.800 0.116 0.000 2.333 366 G HA2 0.030 3.982 3.960 -0.013 0.000 0.330 366 G HA3 0.030 3.982 3.960 -0.013 0.000 0.330 366 G C -1.401 173.526 174.900 0.046 0.000 1.465 366 G CA -1.365 43.775 45.100 0.066 0.000 0.996 366 G HN -0.186 nan 8.290 nan 0.000 0.655 367 K N 0.632 121.046 120.400 0.023 0.000 2.258 367 K HA 0.174 4.486 4.320 -0.013 0.000 0.264 367 K C 0.819 177.418 176.600 -0.001 0.000 1.007 367 K CA -0.487 55.806 56.287 0.009 0.000 0.941 367 K CB 1.033 33.535 32.500 0.004 0.000 0.966 367 K HN 0.677 nan 8.250 nan 0.000 0.480 368 K N 0.359 120.750 120.400 -0.014 0.000 2.543 368 K HA -0.168 4.144 4.320 -0.013 0.000 0.279 368 K C 0.836 177.417 176.600 -0.032 0.000 1.001 368 K CA 1.477 57.745 56.287 -0.032 0.000 1.088 368 K CB -0.155 32.325 32.500 -0.033 0.000 0.863 368 K HN 0.832 nan 8.250 nan 0.000 0.488 369 G N 2.491 111.262 108.800 -0.049 0.000 2.254 369 G HA2 -0.243 3.709 3.960 -0.013 0.000 0.225 369 G HA3 -0.243 3.709 3.960 -0.013 0.000 0.225 369 G C 0.125 175.005 174.900 -0.033 0.000 1.003 369 G CA 0.145 45.218 45.100 -0.045 0.000 0.622 369 G HN 0.679 nan 8.290 nan 0.000 0.507 370 T N 1.854 116.401 114.554 -0.013 0.000 2.871 370 T HA 0.392 4.734 4.350 -0.013 0.000 0.296 370 T C 0.536 175.246 174.700 0.018 0.000 0.998 370 T CA 0.516 62.626 62.100 0.015 0.000 1.162 370 T CB 1.820 70.714 68.868 0.043 0.000 0.947 370 T HN 0.655 nan 8.240 nan 0.000 0.536 371 V N 5.911 125.843 119.914 0.030 0.000 2.364 371 V HA 0.278 4.390 4.120 -0.013 0.000 0.272 371 V C 0.489 176.640 176.094 0.096 0.000 1.036 371 V CA -0.788 61.539 62.300 0.045 0.000 0.880 371 V CB 0.779 32.620 31.823 0.029 0.000 0.991 371 V HN 0.713 nan 8.190 nan 0.000 0.460 372 L N 5.915 127.230 121.223 0.152 0.000 2.367 372 L HA 0.450 4.782 4.340 -0.013 0.000 0.275 372 L C 0.262 177.222 176.870 0.150 0.000 1.129 372 L CA -0.062 54.885 54.840 0.179 0.000 0.839 372 L CB 0.430 42.637 42.059 0.246 0.000 1.133 372 L HN 0.512 nan 8.230 nan 0.000 0.453 373 K N 3.186 123.674 120.400 0.148 0.000 2.385 373 K HA 0.532 4.844 4.320 -0.013 0.000 0.248 373 K C -2.487 174.207 176.600 0.157 0.000 0.955 373 K CA -2.238 54.123 56.287 0.123 0.000 0.816 373 K CB 1.766 34.326 32.500 0.100 0.000 1.250 373 K HN 0.138 nan 8.250 nan 0.000 0.434 374 P HA 0.009 nan 4.420 nan 0.000 0.266 374 P C -1.025 176.319 177.300 0.073 0.000 1.195 374 P CA 0.262 63.363 63.100 0.001 0.000 0.768 374 P CB -0.006 31.638 31.700 -0.093 0.000 0.838 375 Y N -0.543 119.808 120.300 0.085 0.000 2.485 375 Y HA 0.530 5.072 4.550 -0.013 0.000 0.345 375 Y C 0.067 176.038 175.900 0.119 0.000 0.998 375 Y CA -1.680 56.483 58.100 0.106 0.000 1.059 375 Y CB 1.095 39.641 38.460 0.143 0.000 1.234 375 Y HN 0.035 nan 8.280 nan 0.000 0.461 376 K N 2.213 122.742 120.400 0.214 0.000 2.484 376 K HA 0.256 4.568 4.320 -0.013 0.000 0.280 376 K C -0.119 176.665 176.600 0.307 0.000 1.013 376 K CA 0.321 56.703 56.287 0.158 0.000 1.029 376 K CB 0.755 33.336 32.500 0.136 0.000 0.902 376 K HN 0.926 nan 8.250 nan 0.000 0.481 377 A N 3.572 126.533 122.820 0.234 0.000 2.444 377 A HA 0.292 4.604 4.320 -0.013 0.000 0.287 377 A C 0.822 178.650 177.584 0.407 0.000 1.195 377 A CA -0.011 52.277 52.037 0.419 0.000 0.858 377 A CB -0.210 18.895 19.000 0.176 0.000 1.117 377 A HN 0.741 nan 8.150 nan 0.000 0.521 378 G N 1.225 110.323 108.800 0.497 0.000 2.684 378 G HA2 0.131 4.083 3.960 -0.013 0.000 0.255 378 G HA3 0.131 4.083 3.960 -0.013 0.000 0.255 378 G C 0.604 175.612 174.900 0.180 0.000 1.219 378 G CA -0.432 44.822 45.100 0.257 0.000 0.901 378 G HN 0.827 nan 8.290 nan 0.000 0.548 379 N N 0.005 118.728 118.700 0.039 0.000 2.550 379 N HA -0.089 4.643 4.740 -0.013 0.000 0.186 379 N C 1.967 177.358 175.510 -0.198 0.000 1.110 379 N CA 0.513 53.554 53.050 -0.015 0.000 0.912 379 N CB 0.213 38.728 38.487 0.046 0.000 0.968 379 N HN 0.703 nan 8.380 nan 0.000 0.448 380 E N 1.003 121.003 120.200 -0.333 0.000 2.150 380 E HA -0.170 4.172 4.350 -0.013 0.000 0.193 380 E C 1.032 177.472 176.600 -0.265 0.000 0.985 380 E CA 1.059 57.191 56.400 -0.447 0.000 0.814 380 E CB -0.484 28.899 29.700 -0.528 0.000 0.752 380 E HN 0.357 nan 8.360 nan 0.000 0.466 381 F N 0.961 120.969 119.950 0.097 0.000 2.259 381 F HA 0.003 4.522 4.527 -0.014 0.000 0.298 381 F C 2.277 178.211 175.800 0.222 0.000 1.088 381 F CA 0.492 58.642 58.000 0.250 0.000 1.358 381 F CB -0.547 38.659 39.000 0.342 0.000 1.040 381 F HN 0.044 nan 8.300 nan 0.000 0.505 382 L N 1.300 122.673 121.223 0.249 0.000 2.012 382 L HA -0.189 4.143 4.340 -0.013 0.000 0.210 382 L C 2.277 179.244 176.870 0.161 0.000 1.073 382 L CA 1.791 56.721 54.840 0.149 0.000 0.748 382 L CB -0.959 41.151 42.059 0.084 0.000 0.891 382 L HN 0.305 nan 8.230 nan 0.000 0.431 383 I N -3.048 117.606 120.570 0.140 0.000 2.353 383 I HA -0.140 4.022 4.170 -0.013 0.000 0.248 383 I C 2.408 178.597 176.117 0.120 0.000 1.119 383 I CA 1.362 62.753 61.300 0.152 0.000 1.417 383 I CB -0.947 37.175 38.000 0.202 0.000 1.078 383 I HN 0.355 nan 8.210 nan 0.000 0.421 384 S N 0.771 116.540 115.700 0.116 0.000 2.371 384 S HA -0.152 4.310 4.470 -0.013 0.000 0.224 384 S C 2.052 176.676 174.600 0.040 0.000 1.029 384 S CA 0.780 59.017 58.200 0.060 0.000 0.978 384 S CB -1.113 62.113 63.200 0.044 0.000 0.833 384 S HN 0.581 nan 8.310 nan 0.000 0.466 385 Y N 2.112 122.496 120.300 0.140 0.000 2.314 385 Y HA 0.236 4.778 4.550 -0.013 0.000 0.293 385 Y C 2.924 178.896 175.900 0.120 0.000 1.129 385 Y CA 0.621 58.794 58.100 0.121 0.000 1.201 385 Y CB -0.650 37.850 38.460 0.067 0.000 0.999 385 Y HN 0.423 nan 8.280 nan 0.000 0.541 386 A N -0.148 122.799 122.820 0.211 0.000 1.929 386 A HA -0.154 4.158 4.320 -0.013 0.000 0.216 386 A C 2.152 179.861 177.584 0.207 0.000 1.176 386 A CA 1.539 53.683 52.037 0.178 0.000 0.628 386 A CB -0.479 18.587 19.000 0.110 0.000 0.816 386 A HN 0.314 nan 8.150 nan 0.000 0.444 387 R N 0.298 120.889 120.500 0.152 0.000 2.073 387 R HA -0.049 4.283 4.340 -0.013 0.000 0.234 387 R C 2.191 178.553 176.300 0.104 0.000 1.134 387 R CA 1.938 58.108 56.100 0.116 0.000 0.952 387 R CB -0.826 29.510 30.300 0.061 0.000 0.850 387 R HN 0.385 nan 8.270 nan 0.000 0.433 388 A N -0.538 122.330 122.820 0.080 0.000 1.883 388 A HA -0.240 4.072 4.320 -0.013 0.000 0.217 388 A C 2.205 179.861 177.584 0.120 0.000 1.186 388 A CA 1.712 53.784 52.037 0.059 0.000 0.624 388 A CB -1.154 17.838 19.000 -0.012 0.000 0.822 388 A HN 0.586 nan 8.150 nan 0.000 0.444 389 Y N 0.503 120.872 120.300 0.115 0.000 2.165 389 Y HA -0.163 4.379 4.550 -0.013 0.000 0.286 389 Y C 2.707 178.691 175.900 0.140 0.000 1.155 389 Y CA 1.452 59.651 58.100 0.165 0.000 1.164 389 Y CB -0.460 38.153 38.460 0.255 0.000 0.978 389 Y HN 0.329 nan 8.280 nan 0.000 0.513 390 A N -0.183 122.785 122.820 0.246 0.000 1.978 390 A HA -0.190 4.122 4.320 -0.013 0.000 0.220 390 A C 2.167 179.776 177.584 0.042 0.000 1.170 390 A CA 2.125 54.258 52.037 0.161 0.000 0.636 390 A CB -0.969 18.144 19.000 0.188 0.000 0.810 390 A HN 0.602 nan 8.150 nan 0.000 0.448 391 I N -1.663 118.915 120.570 0.014 0.000 2.731 391 I HA 0.049 4.210 4.170 -0.013 0.000 0.260 391 I C 0.219 176.299 176.117 -0.063 0.000 1.138 391 I CA 0.504 61.794 61.300 -0.016 0.000 1.461 391 I CB 0.360 38.356 38.000 -0.005 0.000 1.128 391 I HN 0.171 nan 8.210 nan 0.000 0.438 392 D N 1.506 121.843 120.400 -0.104 0.000 2.479 392 D HA 0.042 4.674 4.640 -0.013 0.000 0.246 392 D C -0.868 175.261 176.300 -0.286 0.000 1.336 392 D CA -0.414 53.506 54.000 -0.134 0.000 0.967 392 D CB 0.702 41.466 40.800 -0.059 0.000 1.275 392 D HN 0.074 nan 8.370 nan 0.000 0.577 393 N N 2.906 121.351 118.700 -0.426 0.000 3.103 393 N HA -0.020 4.712 4.740 -0.013 0.000 0.305 393 N C -0.470 174.818 175.510 -0.370 0.000 1.232 393 N CA -0.174 52.352 53.050 -0.874 0.000 1.190 393 N CB 0.286 38.349 38.487 -0.706 0.000 1.461 393 N HN 0.317 nan 8.380 nan 0.000 0.538 394 D N 1.012 121.336 120.400 -0.126 0.000 2.225 394 D HA 0.194 4.826 4.640 -0.013 0.000 0.248 394 D C -1.673 174.820 176.300 0.323 0.000 1.096 394 D CA -1.939 52.126 54.000 0.107 0.000 0.863 394 D CB 2.143 43.007 40.800 0.108 0.000 1.156 394 D HN 0.073 nan 8.370 nan 0.000 0.450 395 P HA -0.078 nan 4.420 nan 0.000 0.219 395 P C 1.570 179.037 177.300 0.278 0.000 1.146 395 P CA 0.714 63.980 63.100 0.277 0.000 0.808 395 P CB 0.340 32.129 31.700 0.148 0.000 0.779 396 L N -1.688 119.670 121.223 0.225 0.000 2.093 396 L HA -0.120 4.212 4.340 -0.013 0.000 0.208 396 L C 2.243 179.257 176.870 0.240 0.000 1.085 396 L CA 1.190 56.144 54.840 0.191 0.000 0.755 396 L CB -0.661 41.497 42.059 0.164 0.000 0.904 396 L HN -0.036 nan 8.230 nan 0.000 0.435 397 L N -2.116 119.322 121.223 0.358 0.000 2.179 397 L HA -0.197 4.135 4.340 -0.013 0.000 0.208 397 L C 2.396 179.480 176.870 0.357 0.000 1.096 397 L CA 0.865 55.988 54.840 0.471 0.000 0.779 397 L CB -0.698 41.658 42.059 0.494 0.000 0.922 397 L HN 0.463 nan 8.230 nan 0.000 0.443 398 W N 2.378 123.782 121.300 0.175 0.000 2.335 398 W HA -0.268 4.384 4.660 -0.014 0.000 0.311 398 W C 2.487 178.943 176.519 -0.105 0.000 1.213 398 W CA 1.968 59.233 57.345 -0.133 0.000 1.274 398 W CB -0.084 29.280 29.460 -0.160 0.000 1.148 398 W HN 0.173 nan 8.180 nan 0.000 0.498 399 K N 0.263 120.720 120.400 0.095 0.000 2.077 399 K HA -0.268 4.044 4.320 -0.013 0.000 0.213 399 K C 1.747 178.242 176.600 -0.175 0.000 1.051 399 K CA 2.640 58.924 56.287 -0.005 0.000 0.929 399 K CB -0.502 32.038 32.500 0.066 0.000 0.715 399 K HN 0.071 nan 8.250 nan 0.000 0.451 400 V N 0.833 120.502 119.914 -0.408 0.000 2.283 400 V HA -0.202 3.910 4.120 -0.013 0.000 0.243 400 V C 2.471 178.224 176.094 -0.568 0.000 1.039 400 V CA 1.853 63.607 62.300 -0.910 0.000 1.016 400 V CB -0.845 30.116 31.823 -1.436 0.000 0.650 400 V HN 0.526 nan 8.190 nan 0.000 0.449 401 A N 0.151 122.716 122.820 -0.425 0.000 1.917 401 A HA -0.320 3.992 4.320 -0.013 0.000 0.219 401 A C 2.435 179.723 177.584 -0.492 0.000 1.182 401 A CA 2.486 54.271 52.037 -0.420 0.000 0.633 401 A CB -0.635 18.045 19.000 -0.534 0.000 0.819 401 A HN 0.489 nan 8.150 nan 0.000 0.448 402 R N -0.870 119.267 120.500 -0.604 0.000 2.066 402 R HA -0.083 4.249 4.340 -0.013 0.000 0.232 402 R C 2.369 178.524 176.300 -0.241 0.000 1.131 402 R CA 1.505 57.312 56.100 -0.489 0.000 0.955 402 R CB -0.745 29.275 30.300 -0.467 0.000 0.851 402 R HN 0.464 nan 8.270 nan 0.000 0.432 403 G N 1.258 109.970 108.800 -0.147 0.000 2.446 403 G HA2 -0.245 3.707 3.960 -0.013 0.000 0.217 403 G HA3 -0.245 3.707 3.960 -0.013 0.000 0.217 403 G C 1.496 176.374 174.900 -0.036 0.000 1.168 403 G CA 1.031 46.118 45.100 -0.021 0.000 0.771 403 G HN 0.295 nan 8.290 nan 0.000 0.551 404 I N 1.307 121.829 120.570 -0.081 0.000 2.252 404 I HA -0.110 4.051 4.170 -0.013 0.000 0.245 404 I C 3.302 179.381 176.117 -0.063 0.000 1.102 404 I CA 0.884 62.151 61.300 -0.056 0.000 1.385 404 I CB -0.276 37.690 38.000 -0.057 0.000 1.064 404 I HN 0.233 nan 8.210 nan 0.000 0.414 405 A N 0.854 123.605 122.820 -0.114 0.000 1.883 405 A HA -0.289 4.023 4.320 -0.013 0.000 0.217 405 A C 2.200 179.741 177.584 -0.073 0.000 1.186 405 A CA 2.211 54.185 52.037 -0.105 0.000 0.624 405 A CB -1.073 17.823 19.000 -0.172 0.000 0.822 405 A HN 0.544 nan 8.150 nan 0.000 0.444 406 N N -0.621 118.031 118.700 -0.080 0.000 2.223 406 N HA -0.213 4.519 4.740 -0.013 0.000 0.185 406 N C 1.244 176.729 175.510 -0.042 0.000 1.016 406 N CA 1.685 54.701 53.050 -0.057 0.000 0.863 406 N CB -0.174 38.275 38.487 -0.063 0.000 0.983 406 N HN 0.470 nan 8.380 nan 0.000 0.429 407 D N -0.073 120.303 120.400 -0.040 0.000 2.317 407 D HA -0.015 4.617 4.640 -0.013 0.000 0.211 407 D C 1.162 177.457 176.300 -0.009 0.000 0.966 407 D CA 0.625 54.610 54.000 -0.025 0.000 0.876 407 D CB 0.155 40.943 40.800 -0.020 0.000 0.927 407 D HN 0.148 nan 8.370 nan 0.000 0.519 408 Q N -0.631 119.162 119.800 -0.010 0.000 2.246 408 Q HA 0.225 4.557 4.340 -0.013 0.000 0.202 408 Q C 1.002 177.000 176.000 -0.003 0.000 0.883 408 Q CA 0.450 56.254 55.803 0.001 0.000 0.952 408 Q CB 0.849 29.590 28.738 0.005 0.000 1.078 408 Q HN 0.350 nan 8.270 nan 0.000 0.493 409 G N 1.113 109.908 108.800 -0.010 0.000 2.147 409 G HA2 -0.258 3.694 3.960 -0.013 0.000 0.244 409 G HA3 -0.258 3.694 3.960 -0.013 0.000 0.244 409 G C 0.596 175.491 174.900 -0.009 0.000 1.005 409 G CA 0.371 45.466 45.100 -0.008 0.000 0.713 409 G HN 0.421 nan 8.290 nan 0.000 0.515 410 L N -0.045 121.168 121.223 -0.016 0.000 2.607 410 L HA 0.470 4.802 4.340 -0.013 0.000 0.228 410 L C 1.804 178.670 176.870 -0.007 0.000 1.123 410 L CA 0.501 55.332 54.840 -0.014 0.000 0.890 410 L CB -0.246 41.797 42.059 -0.026 0.000 1.103 410 L HN 1.072 nan 8.230 nan 0.000 0.468 411 G N 0.716 109.510 108.800 -0.010 0.000 2.632 411 G HA2 -0.263 3.689 3.960 -0.013 0.000 0.224 411 G HA3 -0.263 3.689 3.960 -0.013 0.000 0.224 411 G C -0.910 173.986 174.900 -0.006 0.000 1.341 411 G CA -0.385 44.714 45.100 -0.001 0.000 0.880 411 G HN 0.173 nan 8.290 nan 0.000 0.566 412 D N 0.667 121.077 120.400 0.016 0.000 2.373 412 D HA 0.471 5.103 4.640 -0.013 0.000 0.227 412 D C 1.898 178.245 176.300 0.077 0.000 1.091 412 D CA -0.204 53.810 54.000 0.024 0.000 0.840 412 D CB 0.514 41.336 40.800 0.036 0.000 1.060 412 D HN 0.802 nan 8.370 nan 0.000 0.502 413 I N 1.144 121.738 120.570 0.040 0.000 3.334 413 I HA 0.305 4.467 4.170 -0.013 0.000 0.282 413 I C 0.949 177.311 176.117 0.409 0.000 1.313 413 I CA 0.093 61.484 61.300 0.152 0.000 1.396 413 I CB -0.539 37.313 38.000 -0.247 0.000 1.054 413 I HN 0.425 nan 8.210 nan 0.000 0.495 414 G N 1.230 110.219 108.800 0.315 0.000 2.497 414 G HA2 -0.174 3.778 3.960 -0.013 0.000 0.686 414 G HA3 -0.174 3.778 3.960 -0.013 0.000 0.686 414 G C 0.280 175.438 174.900 0.430 0.000 1.288 414 G CA -0.162 45.142 45.100 0.341 0.000 0.899 414 G HN 0.345 nan 8.290 nan 0.000 0.608 415 T N -1.877 112.821 114.554 0.239 0.000 3.055 415 T HA 0.579 4.921 4.350 -0.013 0.000 0.265 415 T C 1.088 175.813 174.700 0.042 0.000 1.111 415 T CA 2.031 64.244 62.100 0.189 0.000 1.118 415 T CB 0.106 69.023 68.868 0.082 0.000 0.909 415 T HN 2.377 nan 8.240 nan 0.000 0.501 416 A N 0.807 123.529 122.820 -0.162 0.000 2.586 416 A HA 0.669 4.981 4.320 -0.013 0.000 0.290 416 A C -3.234 173.980 177.584 -0.616 0.000 1.086 416 A CA -1.855 49.725 52.037 -0.761 0.000 0.665 416 A CB 0.400 19.154 19.000 -0.410 0.000 1.279 416 A HN 0.019 nan 8.150 nan 0.000 0.423 417 P HA 0.298 nan 4.420 nan 0.000 0.261 417 P C 1.047 178.329 177.300 -0.029 0.000 1.183 417 P CA 2.368 65.322 63.100 -0.243 0.000 0.761 417 P CB 0.465 32.078 31.700 -0.144 0.000 0.785 418 G N 2.353 111.208 108.800 0.091 0.000 2.184 418 G HA2 -0.270 3.682 3.960 -0.013 0.000 0.264 418 G HA3 -0.270 3.682 3.960 -0.013 0.000 0.264 418 G C -0.002 174.905 174.900 0.011 0.000 0.975 418 G CA -0.094 45.003 45.100 -0.004 0.000 0.642 418 G HN 0.551 nan 8.290 nan 0.000 0.536 419 K N 0.713 121.133 120.400 0.032 0.000 2.339 419 K HA 0.467 4.779 4.320 -0.013 0.000 0.264 419 K C 0.287 176.924 176.600 0.063 0.000 0.986 419 K CA -0.554 55.747 56.287 0.023 0.000 0.866 419 K CB 1.084 33.575 32.500 -0.014 0.000 1.103 419 K HN 0.365 nan 8.250 nan 0.000 0.441 420 E N 0.268 120.498 120.200 0.050 0.000 2.320 420 E HA -0.179 4.163 4.350 -0.013 0.000 0.234 420 E C -0.693 175.959 176.600 0.088 0.000 1.183 420 E CA 0.078 56.513 56.400 0.057 0.000 0.713 420 E CB -1.048 28.683 29.700 0.051 0.000 1.226 420 E HN 0.250 nan 8.360 nan 0.000 0.382 421 V N 1.505 121.476 119.914 0.095 0.000 2.508 421 V HA 0.092 4.204 4.120 -0.013 0.000 0.281 421 V C 0.757 176.902 176.094 0.086 0.000 1.041 421 V CA 0.431 62.809 62.300 0.131 0.000 1.016 421 V CB 1.189 33.090 31.823 0.131 0.000 0.984 421 V HN 0.141 nan 8.190 nan 0.000 0.478 422 K N 4.624 125.077 120.400 0.089 0.000 2.920 422 K HA 0.301 4.613 4.320 -0.013 0.000 0.175 422 K C -0.604 176.030 176.600 0.057 0.000 1.099 422 K CA -0.337 55.984 56.287 0.057 0.000 0.939 422 K CB 1.522 34.045 32.500 0.039 0.000 1.148 422 K HN 0.571 nan 8.250 nan 0.000 0.613 423 V N -0.912 119.044 119.914 0.071 0.000 2.953 423 V HA 0.357 4.469 4.120 -0.013 0.000 0.304 423 V C 0.257 176.371 176.094 0.034 0.000 1.073 423 V CA -0.756 61.582 62.300 0.063 0.000 1.064 423 V CB 1.134 33.017 31.823 0.100 0.000 1.047 423 V HN 0.433 nan 8.190 nan 0.000 0.478 424 N N 3.865 122.578 118.700 0.022 0.000 2.500 424 N HA 0.294 5.026 4.740 -0.013 0.000 0.236 424 N C 0.476 175.991 175.510 0.008 0.000 1.022 424 N CA -0.510 52.547 53.050 0.011 0.000 0.935 424 N CB 0.961 39.451 38.487 0.004 0.000 1.147 424 N HN 0.741 nan 8.380 nan 0.000 0.512 425 M N 0.842 120.446 119.600 0.006 0.000 2.619 425 M HA 0.030 4.502 4.480 -0.013 0.000 0.251 425 M C -0.094 176.204 176.300 -0.004 0.000 1.106 425 M CA 0.638 55.938 55.300 -0.000 0.000 1.086 425 M CB -0.151 32.448 32.600 -0.002 0.000 1.465 425 M HN 0.413 nan 8.290 nan 0.000 0.506 426 D N -0.082 120.317 120.400 -0.002 0.000 2.368 426 D HA 0.048 4.679 4.640 -0.013 0.000 0.218 426 D C 0.703 177.001 176.300 -0.004 0.000 1.112 426 D CA 0.154 54.152 54.000 -0.003 0.000 0.834 426 D CB 0.160 40.958 40.800 -0.002 0.000 0.953 426 D HN 0.147 nan 8.370 nan 0.000 0.505 427 T N 0.614 115.166 114.554 -0.004 0.000 2.937 427 T HA 0.035 4.377 4.350 -0.013 0.000 0.316 427 T C 1.453 176.150 174.700 -0.005 0.000 1.079 427 T CA 0.450 62.547 62.100 -0.004 0.000 1.131 427 T CB 0.725 69.589 68.868 -0.006 0.000 1.000 427 T HN 0.160 nan 8.240 nan 0.000 0.549 428 T N 1.554 116.107 114.554 -0.003 0.000 3.105 428 T HA 0.202 4.544 4.350 -0.013 0.000 0.253 428 T C 0.727 175.426 174.700 -0.001 0.000 1.047 428 T CA -0.589 61.510 62.100 -0.002 0.000 0.944 428 T CB -0.180 68.689 68.868 0.002 0.000 1.016 428 T HN 0.569 nan 8.240 nan 0.000 0.544 429 N N 3.088 121.786 118.700 -0.004 0.000 2.411 429 N HA -0.022 4.710 4.740 -0.013 0.000 0.265 429 N C 0.417 175.919 175.510 -0.013 0.000 1.266 429 N CA 0.550 53.598 53.050 -0.003 0.000 0.889 429 N CB 0.709 39.193 38.487 -0.004 0.000 1.069 429 N HN 0.538 nan 8.380 nan 0.000 0.476 430 S N 1.255 116.950 115.700 -0.010 0.000 2.711 430 S HA 0.074 4.536 4.470 -0.013 0.000 0.247 430 S C -0.333 174.243 174.600 -0.040 0.000 1.079 430 S CA -0.864 57.321 58.200 -0.024 0.000 1.050 430 S CB 0.186 63.383 63.200 -0.005 0.000 0.885 430 S HN 0.460 nan 8.310 nan 0.000 0.498 431 D N 2.857 123.237 120.400 -0.032 0.000 2.316 431 D HA 0.335 4.967 4.640 -0.013 0.000 0.245 431 D C -1.575 174.660 176.300 -0.109 0.000 1.171 431 D CA -2.042 51.941 54.000 -0.027 0.000 0.856 431 D CB 1.775 42.611 40.800 0.060 0.000 1.090 431 D HN 0.044 nan 8.370 nan 0.000 0.476 432 P HA -0.198 nan 4.420 nan 0.000 0.216 432 P C 0.903 178.027 177.300 -0.293 0.000 1.154 432 P CA 1.292 64.149 63.100 -0.406 0.000 0.865 432 P CB 0.015 31.399 31.700 -0.527 0.000 0.789 433 Y N -0.330 119.959 120.300 -0.018 0.000 2.224 433 Y HA -0.111 4.431 4.550 -0.014 0.000 0.289 433 Y C 2.616 178.554 175.900 0.062 0.000 1.146 433 Y CA 1.022 59.180 58.100 0.097 0.000 1.182 433 Y CB -1.606 36.919 38.460 0.108 0.000 0.983 433 Y HN -0.076 nan 8.280 nan 0.000 0.524 434 A N -0.009 122.901 122.820 0.150 0.000 1.902 434 A HA -0.161 4.151 4.320 -0.013 0.000 0.217 434 A C 2.332 179.919 177.584 0.005 0.000 1.181 434 A CA 1.467 53.542 52.037 0.063 0.000 0.623 434 A CB -1.094 17.921 19.000 0.025 0.000 0.818 434 A HN 0.496 nan 8.150 nan 0.000 0.443 435 L N -1.713 119.459 121.223 -0.086 0.000 1.970 435 L HA -0.200 4.132 4.340 -0.013 0.000 0.212 435 L C 2.481 179.273 176.870 -0.130 0.000 1.071 435 L CA 1.938 56.673 54.840 -0.175 0.000 0.751 435 L CB -0.408 41.445 42.059 -0.344 0.000 0.889 435 L HN 0.395 nan 8.230 nan 0.000 0.432 436 F N 0.115 119.992 119.950 -0.122 0.000 2.087 436 F HA -0.311 4.208 4.527 -0.013 0.000 0.299 436 F C 2.610 178.421 175.800 0.019 0.000 1.100 436 F CA 1.518 59.460 58.000 -0.095 0.000 1.226 436 F CB -1.181 37.709 39.000 -0.182 0.000 0.983 436 F HN 0.182 nan 8.300 nan 0.000 0.479 437 A N -0.092 122.865 122.820 0.228 0.000 1.877 437 A HA -0.135 4.177 4.320 -0.013 0.000 0.216 437 A C 2.289 179.931 177.584 0.097 0.000 1.186 437 A CA 1.486 53.614 52.037 0.152 0.000 0.620 437 A CB -1.152 17.910 19.000 0.102 0.000 0.822 437 A HN 0.377 nan 8.150 nan 0.000 0.443 438 L N -0.513 120.742 121.223 0.053 0.000 2.127 438 L HA -0.195 4.137 4.340 -0.013 0.000 0.211 438 L C 2.489 179.430 176.870 0.119 0.000 1.089 438 L CA 0.960 55.822 54.840 0.037 0.000 0.757 438 L CB -0.465 41.603 42.059 0.015 0.000 0.899 438 L HN 0.388 nan 8.230 nan 0.000 0.434 439 L N -0.818 120.485 121.223 0.134 0.000 2.083 439 L HA -0.216 4.116 4.340 -0.013 0.000 0.209 439 L C 2.112 179.168 176.870 0.311 0.000 1.083 439 L CA 0.957 55.914 54.840 0.196 0.000 0.752 439 L CB -0.527 41.674 42.059 0.237 0.000 0.899 439 L HN 0.258 nan 8.230 nan 0.000 0.433 440 D N -0.040 120.533 120.400 0.288 0.000 2.149 440 D HA -0.095 4.537 4.640 -0.013 0.000 0.201 440 D C 2.421 178.892 176.300 0.285 0.000 0.972 440 D CA 0.970 55.148 54.000 0.298 0.000 0.835 440 D CB -0.006 40.936 40.800 0.236 0.000 0.966 440 D HN 0.218 nan 8.370 nan 0.000 0.476 441 L N -0.224 121.136 121.223 0.228 0.000 2.017 441 L HA -0.209 4.123 4.340 -0.013 0.000 0.208 441 L C 2.457 179.548 176.870 0.367 0.000 1.073 441 L CA 1.096 56.080 54.840 0.240 0.000 0.745 441 L CB -0.628 41.402 42.059 -0.049 0.000 0.894 441 L HN 0.085 nan 8.230 nan 0.000 0.432 442 Y N 0.840 121.271 120.300 0.218 0.000 2.128 442 Y HA -0.302 4.240 4.550 -0.013 0.000 0.284 442 Y C 2.622 178.554 175.900 0.053 0.000 1.154 442 Y CA 1.894 60.081 58.100 0.144 0.000 1.149 442 Y CB -0.566 37.855 38.460 -0.065 0.000 0.976 442 Y HN 0.209 nan 8.280 nan 0.000 0.505 443 H N -0.951 118.179 119.070 0.100 0.000 2.491 443 H HA 0.029 4.577 4.556 -0.013 0.000 0.290 443 H C 2.121 177.443 175.328 -0.010 0.000 1.050 443 H CA 0.805 56.837 56.048 -0.026 0.000 1.309 443 H CB -0.052 29.769 29.762 0.099 0.000 1.392 443 H HN 0.444 nan 8.280 nan 0.000 0.554 444 A N 0.003 122.933 122.820 0.182 0.000 2.072 444 A HA -0.042 4.270 4.320 -0.013 0.000 0.216 444 A C 2.105 179.765 177.584 0.126 0.000 1.156 444 A CA 1.233 53.372 52.037 0.171 0.000 0.701 444 A CB 0.010 19.182 19.000 0.286 0.000 0.816 444 A HN 0.463 nan 8.150 nan 0.000 0.458 445 S N -3.409 112.350 115.700 0.099 0.000 2.631 445 S HA 0.221 4.683 4.470 -0.013 0.000 0.246 445 S C 0.674 175.246 174.600 -0.046 0.000 1.068 445 S CA 0.760 59.014 58.200 0.091 0.000 0.995 445 S CB 0.201 63.561 63.200 0.267 0.000 0.944 445 S HN 0.286 nan 8.310 nan 0.000 0.529 446 Q N 0.327 119.971 119.800 -0.261 0.000 2.406 446 Q HA -0.113 4.219 4.340 -0.013 0.000 0.236 446 Q C -0.446 175.493 176.000 -0.103 0.000 0.799 446 Q CA 0.986 56.548 55.803 -0.401 0.000 1.286 446 Q CB -2.527 26.096 28.738 -0.192 0.000 1.615 446 Q HN 0.579 nan 8.270 nan 0.000 0.621 447 V N 0.543 120.441 119.914 -0.026 0.000 2.397 447 V HA 0.292 4.404 4.120 -0.013 0.000 0.262 447 V C 1.678 177.777 176.094 0.007 0.000 1.047 447 V CA 0.638 62.864 62.300 -0.123 0.000 1.003 447 V CB 0.674 32.203 31.823 -0.490 0.000 1.037 447 V HN 0.465 nan 8.190 nan 0.000 0.480 448 A N 3.460 126.308 122.820 0.047 0.000 1.978 448 A HA -0.163 4.149 4.320 -0.013 0.000 0.220 448 A C 1.845 179.362 177.584 -0.112 0.000 1.170 448 A CA 1.651 53.702 52.037 0.023 0.000 0.636 448 A CB -0.364 18.640 19.000 0.007 0.000 0.810 448 A HN 0.775 nan 8.150 nan 0.000 0.448 449 D N -1.200 119.097 120.400 -0.171 0.000 2.182 449 D HA -0.153 4.479 4.640 -0.013 0.000 0.201 449 D C 1.537 177.836 176.300 -0.002 0.000 0.986 449 D CA 1.252 55.181 54.000 -0.119 0.000 0.847 449 D CB -0.325 40.401 40.800 -0.123 0.000 0.942 449 D HN 0.598 nan 8.370 nan 0.000 0.467 450 Y N 0.404 120.735 120.300 0.053 0.000 2.242 450 Y HA -0.006 4.536 4.550 -0.013 0.000 0.291 450 Y C 2.438 178.300 175.900 -0.064 0.000 1.137 450 Y CA 0.516 58.642 58.100 0.043 0.000 1.181 450 Y CB -0.653 37.898 38.460 0.151 0.000 0.989 450 Y HN -0.050 nan 8.280 nan 0.000 0.527 451 R N 0.920 121.364 120.500 -0.093 0.000 2.119 451 R HA -0.093 4.239 4.340 -0.013 0.000 0.222 451 R C 1.936 178.118 176.300 -0.196 0.000 1.088 451 R CA 0.910 56.820 56.100 -0.318 0.000 0.984 451 R CB -0.005 29.755 30.300 -0.901 0.000 0.884 451 R HN 0.279 nan 8.270 nan 0.000 0.447 452 K N 0.449 120.762 120.400 -0.146 0.000 2.097 452 K HA -0.166 4.146 4.320 -0.013 0.000 0.206 452 K C 2.022 178.589 176.600 -0.055 0.000 1.049 452 K CA 1.079 57.311 56.287 -0.092 0.000 0.933 452 K CB -0.179 32.280 32.500 -0.068 0.000 0.717 452 K HN 0.080 nan 8.250 nan 0.000 0.442 453 L N 1.009 122.219 121.223 -0.021 0.000 2.056 453 L HA -0.104 4.228 4.340 -0.013 0.000 0.207 453 L C 2.165 179.017 176.870 -0.030 0.000 1.078 453 L CA 1.716 56.554 54.840 -0.003 0.000 0.749 453 L CB -0.667 41.420 42.059 0.046 0.000 0.901 453 L HN 0.101 nan 8.230 nan 0.000 0.433 454 A N -0.919 121.874 122.820 -0.045 0.000 1.930 454 A HA -0.206 4.106 4.320 -0.013 0.000 0.217 454 A C 2.133 179.661 177.584 -0.094 0.000 1.175 454 A CA 1.619 53.611 52.037 -0.075 0.000 0.627 454 A CB -0.576 18.375 19.000 -0.082 0.000 0.815 454 A HN 0.587 nan 8.150 nan 0.000 0.443 455 E N -0.434 119.710 120.200 -0.094 0.000 2.058 455 E HA -0.269 4.073 4.350 -0.013 0.000 0.194 455 E C 2.092 178.651 176.600 -0.068 0.000 0.997 455 E CA 1.581 57.930 56.400 -0.086 0.000 0.801 455 E CB -0.132 29.519 29.700 -0.082 0.000 0.746 455 E HN 0.495 nan 8.360 nan 0.000 0.450 456 K N 1.383 121.751 120.400 -0.055 0.000 2.032 456 K HA -0.152 4.160 4.320 -0.013 0.000 0.209 456 K C 1.811 178.384 176.600 -0.045 0.000 1.048 456 K CA 1.312 57.574 56.287 -0.041 0.000 0.927 456 K CB -0.402 32.080 32.500 -0.030 0.000 0.712 456 K HN 0.104 nan 8.250 nan 0.000 0.441 457 I N -0.017 120.519 120.570 -0.056 0.000 2.226 457 I HA -0.201 3.961 4.170 -0.013 0.000 0.245 457 I C 2.314 178.382 176.117 -0.083 0.000 1.100 457 I CA 1.474 62.735 61.300 -0.066 0.000 1.374 457 I CB -0.702 37.251 38.000 -0.079 0.000 1.057 457 I HN 0.400 nan 8.210 nan 0.000 0.413 458 G N 0.482 109.221 108.800 -0.102 0.000 2.418 458 G HA2 -0.245 3.707 3.960 -0.013 0.000 0.217 458 G HA3 -0.245 3.707 3.960 -0.013 0.000 0.217 458 G C 1.263 176.123 174.900 -0.068 0.000 1.158 458 G CA 0.961 45.993 45.100 -0.114 0.000 0.771 458 G HN 0.287 nan 8.290 nan 0.000 0.545 459 D N 0.879 121.248 120.400 -0.051 0.000 2.117 459 D HA -0.093 4.539 4.640 -0.013 0.000 0.197 459 D C 2.355 178.649 176.300 -0.010 0.000 0.987 459 D CA 0.742 54.726 54.000 -0.027 0.000 0.829 459 D CB -0.230 40.555 40.800 -0.026 0.000 0.961 459 D HN 0.138 nan 8.370 nan 0.000 0.460 460 N N 0.631 119.321 118.700 -0.016 0.000 2.120 460 N HA -0.070 4.662 4.740 -0.013 0.000 0.188 460 N C 2.111 177.628 175.510 0.013 0.000 1.024 460 N CA 0.349 53.397 53.050 -0.003 0.000 0.852 460 N CB -0.285 38.194 38.487 -0.012 0.000 1.003 460 N HN 0.279 nan 8.380 nan 0.000 0.424 461 I N 1.044 121.615 120.570 0.001 0.000 2.163 461 I HA -0.260 3.902 4.170 -0.013 0.000 0.243 461 I C 1.952 178.150 176.117 0.136 0.000 1.085 461 I CA 1.075 62.397 61.300 0.037 0.000 1.347 461 I CB -0.224 37.749 38.000 -0.045 0.000 1.044 461 I HN 0.059 nan 8.210 nan 0.000 0.408 462 I N 0.332 120.966 120.570 0.107 0.000 2.252 462 I HA -0.288 3.874 4.170 -0.013 0.000 0.245 462 I C 2.649 178.833 176.117 0.113 0.000 1.102 462 I CA 1.279 62.655 61.300 0.126 0.000 1.385 462 I CB -0.478 37.547 38.000 0.043 0.000 1.064 462 I HN 0.198 nan 8.210 nan 0.000 0.414 463 K N 1.613 122.052 120.400 0.066 0.000 2.057 463 K HA -0.180 4.132 4.320 -0.013 0.000 0.206 463 K C 2.090 178.716 176.600 0.042 0.000 1.050 463 K CA 1.920 58.235 56.287 0.047 0.000 0.935 463 K CB -0.010 32.505 32.500 0.026 0.000 0.715 463 K HN 0.505 nan 8.250 nan 0.000 0.439 464 I N -3.446 117.153 120.570 0.048 0.000 3.708 464 I HA 0.100 4.262 4.170 -0.013 0.000 0.302 464 I C 1.572 177.720 176.117 0.052 0.000 1.255 464 I CA 0.082 61.405 61.300 0.038 0.000 1.362 464 I CB 0.320 38.338 38.000 0.030 0.000 1.100 464 I HN -0.115 nan 8.210 nan 0.000 0.434 465 R N -0.703 119.854 120.500 0.095 0.000 2.419 465 R HA 0.189 4.521 4.340 -0.013 0.000 0.235 465 R C -0.324 176.034 176.300 0.098 0.000 0.899 465 R CA -0.273 55.908 56.100 0.135 0.000 1.048 465 R CB 0.329 30.754 30.300 0.208 0.000 1.182 465 R HN 0.213 nan 8.270 nan 0.000 0.544 466 Y N 2.073 122.262 120.300 -0.186 0.000 2.539 466 Y HA 0.337 4.879 4.550 -0.013 0.000 0.352 466 Y C -0.621 175.129 175.900 -0.248 0.000 1.004 466 Y CA -0.907 56.882 58.100 -0.518 0.000 1.278 466 Y CB -0.010 38.131 38.460 -0.532 0.000 1.136 466 Y HN -0.095 nan 8.280 nan 0.000 0.528 467 I N 5.526 125.871 120.570 -0.374 0.000 2.534 467 I HA 0.208 4.370 4.170 -0.013 0.000 0.288 467 I C -0.487 175.492 176.117 -0.230 0.000 1.077 467 I CA -0.764 60.384 61.300 -0.254 0.000 1.051 467 I CB 1.960 39.909 38.000 -0.086 0.000 1.234 467 I HN 0.444 nan 8.210 nan 0.000 0.425 468 D N 4.688 124.950 120.400 -0.229 0.000 2.911 468 D HA -0.200 4.432 4.640 -0.013 0.000 0.227 468 D C 1.179 177.409 176.300 -0.117 0.000 1.164 468 D CA 1.793 55.727 54.000 -0.109 0.000 0.782 468 D CB -1.078 39.735 40.800 0.023 0.000 1.094 468 D HN 1.195 nan 8.370 nan 0.000 0.425 469 G N -1.577 106.948 108.800 -0.459 0.000 2.168 469 G HA2 -0.335 3.617 3.960 -0.013 0.000 0.263 469 G HA3 -0.335 3.617 3.960 -0.013 0.000 0.263 469 G C 0.200 174.893 174.900 -0.345 0.000 0.977 469 G CA 0.611 45.423 45.100 -0.479 0.000 0.659 469 G HN 0.458 nan 8.290 nan 0.000 0.533 470 F N -1.338 118.558 119.950 -0.090 0.000 2.639 470 F HA 0.814 5.333 4.527 -0.014 0.000 0.339 470 F C 0.183 175.932 175.800 -0.084 0.000 1.071 470 F CA -1.407 56.702 58.000 0.181 0.000 0.994 470 F CB 1.112 40.236 39.000 0.206 0.000 1.341 470 F HN -0.090 nan 8.300 nan 0.000 0.498 471 F N 2.049 122.200 119.950 0.335 0.000 2.404 471 F HA 0.614 5.133 4.527 -0.013 0.000 0.354 471 F C -0.131 175.741 175.800 0.119 0.000 1.122 471 F CA -0.371 57.693 58.000 0.106 0.000 1.080 471 F CB 1.148 40.061 39.000 -0.144 0.000 1.131 471 F HN 0.043 nan 8.300 nan 0.000 0.471 472 M N 1.711 121.448 119.600 0.228 0.000 2.550 472 M HA 0.462 4.934 4.480 -0.013 0.000 0.292 472 M C 0.525 176.891 176.300 0.109 0.000 1.221 472 M CA -0.767 54.622 55.300 0.148 0.000 0.873 472 M CB 2.337 35.003 32.600 0.111 0.000 1.727 472 M HN 0.618 nan 8.290 nan 0.000 0.459 473 A N 0.669 123.538 122.820 0.082 0.000 2.016 473 A HA 0.148 4.460 4.320 -0.013 0.000 0.217 473 A C 0.842 178.458 177.584 0.054 0.000 1.162 473 A CA 1.183 53.257 52.037 0.062 0.000 0.662 473 A CB 0.080 19.113 19.000 0.055 0.000 0.812 473 A HN 0.681 nan 8.150 nan 0.000 0.450 474 S N -2.213 113.519 115.700 0.052 0.000 2.564 474 S HA 0.420 4.882 4.470 -0.013 0.000 0.274 474 S C 0.758 175.375 174.600 0.028 0.000 1.124 474 S CA 0.174 58.396 58.200 0.037 0.000 0.869 474 S CB 1.505 64.724 63.200 0.031 0.000 1.105 474 S HN 0.287 nan 8.310 nan 0.000 0.472 475 S N 1.856 117.565 115.700 0.015 0.000 2.453 475 S HA -0.018 4.444 4.470 -0.013 0.000 0.231 475 S C 0.687 175.283 174.600 -0.007 0.000 1.005 475 S CA 0.699 58.900 58.200 0.002 0.000 0.949 475 S CB -0.261 62.937 63.200 -0.004 0.000 0.774 475 S HN 0.779 nan 8.310 nan 0.000 0.510 476 D N 0.905 121.302 120.400 -0.004 0.000 2.349 476 D HA 0.066 4.698 4.640 -0.013 0.000 0.215 476 D C 0.304 176.593 176.300 -0.020 0.000 1.016 476 D CA 0.146 54.137 54.000 -0.015 0.000 0.870 476 D CB 0.117 40.911 40.800 -0.010 0.000 0.917 476 D HN 0.172 nan 8.370 nan 0.000 0.524 477 R N 1.522 122.021 120.500 -0.002 0.000 2.570 477 R HA -0.006 4.326 4.340 -0.013 0.000 0.277 477 R C 1.319 177.592 176.300 -0.045 0.000 1.039 477 R CA 0.172 56.277 56.100 0.009 0.000 1.065 477 R CB 0.807 31.143 30.300 0.060 0.000 0.964 477 R HN 0.139 nan 8.270 nan 0.000 0.428 478 Q N 2.625 122.372 119.800 -0.088 0.000 2.020 478 Q HA -0.105 4.227 4.340 -0.013 0.000 0.202 478 Q C -0.399 175.348 176.000 -0.421 0.000 0.982 478 Q CA 1.752 57.382 55.803 -0.289 0.000 0.838 478 Q CB 0.085 28.616 28.738 -0.345 0.000 0.899 478 Q HN 0.555 nan 8.270 nan 0.000 0.423 479 Y N -0.626 119.675 120.300 0.001 0.000 2.393 479 Y HA 0.672 5.214 4.550 -0.013 0.000 0.341 479 Y C -0.360 175.621 175.900 0.135 0.000 0.988 479 Y CA -1.077 57.037 58.100 0.022 0.000 1.078 479 Y CB 1.686 40.132 38.460 -0.024 0.000 1.203 479 Y HN 0.115 nan 8.280 nan 0.000 0.453 480 A N 1.891 124.798 122.820 0.146 0.000 2.327 480 A HA 0.363 4.675 4.320 -0.013 0.000 0.283 480 A C -0.711 177.001 177.584 0.214 0.000 1.127 480 A CA -0.506 51.590 52.037 0.097 0.000 0.810 480 A CB 0.313 19.209 19.000 -0.174 0.000 1.066 480 A HN 0.679 nan 8.150 nan 0.000 0.492 481 D N 2.082 122.506 120.400 0.041 0.000 2.317 481 D HA 0.237 4.869 4.640 -0.013 0.000 0.234 481 D C 1.319 177.666 176.300 0.079 0.000 1.112 481 D CA -0.095 53.749 54.000 -0.259 0.000 0.840 481 D CB 1.451 41.747 40.800 -0.839 0.000 1.078 481 D HN 0.371 nan 8.370 nan 0.000 0.486 482 V N 1.446 121.469 119.914 0.182 0.000 3.026 482 V HA -0.084 4.028 4.120 -0.013 0.000 0.265 482 V C 1.101 177.330 176.094 0.225 0.000 1.121 482 V CA 1.375 63.853 62.300 0.297 0.000 1.142 482 V CB -0.299 31.677 31.823 0.255 0.000 0.730 482 V HN 0.350 nan 8.190 nan 0.000 0.503 483 D N 0.804 121.255 120.400 0.085 0.000 2.325 483 D HA 0.381 5.013 4.640 -0.013 0.000 0.225 483 D C 1.052 177.372 176.300 0.033 0.000 1.096 483 D CA 0.561 54.588 54.000 0.046 0.000 0.844 483 D CB -0.056 40.734 40.800 -0.017 0.000 0.925 483 D HN 0.737 nan 8.370 nan 0.000 0.513 484 A N 0.686 123.534 122.820 0.046 0.000 2.565 484 A HA 0.098 4.410 4.320 -0.013 0.000 0.237 484 A C 1.476 179.025 177.584 -0.059 0.000 1.053 484 A CA 0.062 52.089 52.037 -0.017 0.000 0.755 484 A CB -0.251 18.764 19.000 0.025 0.000 0.980 484 A HN 0.462 nan 8.150 nan 0.000 0.506 485 I N -0.843 119.669 120.570 -0.098 0.000 3.578 485 I HA 0.069 4.231 4.170 -0.013 0.000 0.295 485 I C 1.271 177.206 176.117 -0.304 0.000 1.280 485 I CA 0.650 61.894 61.300 -0.092 0.000 1.347 485 I CB -0.245 37.707 38.000 -0.079 0.000 1.051 485 I HN 0.655 nan 8.210 nan 0.000 0.460 486 E N 2.880 122.805 120.200 -0.459 0.000 2.065 486 E HA -0.169 4.173 4.350 -0.013 0.000 0.201 486 E C -0.474 175.602 176.600 -0.874 0.000 1.016 486 E CA 2.414 58.389 56.400 -0.710 0.000 0.818 486 E CB -1.576 27.607 29.700 -0.862 0.000 0.749 486 E HN 0.515 nan 8.360 nan 0.000 0.453 487 P HA -0.191 nan 4.420 nan 0.000 0.221 487 P C 1.116 178.244 177.300 -0.287 0.000 1.150 487 P CA 1.272 63.947 63.100 -0.708 0.000 0.800 487 P CB -0.106 31.240 31.700 -0.591 0.000 0.787 488 Y N 1.186 121.289 120.300 -0.328 0.000 2.128 488 Y HA -0.231 4.311 4.550 -0.014 0.000 0.284 488 Y C 2.568 178.301 175.900 -0.279 0.000 1.154 488 Y CA 1.140 59.149 58.100 -0.151 0.000 1.149 488 Y CB -0.375 38.081 38.460 -0.005 0.000 0.976 488 Y HN -0.045 nan 8.280 nan 0.000 0.505 489 A N 0.603 123.093 122.820 -0.550 0.000 1.877 489 A HA -0.216 4.096 4.320 -0.013 0.000 0.216 489 A C 2.164 179.399 177.584 -0.581 0.000 1.186 489 A CA 1.788 53.142 52.037 -1.139 0.000 0.620 489 A CB -1.180 17.101 19.000 -1.198 0.000 0.822 489 A HN 0.563 nan 8.150 nan 0.000 0.443 490 L N -0.664 120.308 121.223 -0.419 0.000 2.043 490 L HA -0.233 4.099 4.340 -0.013 0.000 0.212 490 L C 2.621 179.390 176.870 -0.169 0.000 1.075 490 L CA 1.294 55.970 54.840 -0.274 0.000 0.752 490 L CB -0.685 41.214 42.059 -0.267 0.000 0.891 490 L HN 0.387 nan 8.230 nan 0.000 0.432 491 L N -0.412 120.739 121.223 -0.121 0.000 2.046 491 L HA -0.201 4.131 4.340 -0.013 0.000 0.208 491 L C 2.888 179.771 176.870 0.020 0.000 1.077 491 L CA 1.232 56.055 54.840 -0.029 0.000 0.747 491 L CB -0.717 41.349 42.059 0.012 0.000 0.896 491 L HN 0.255 nan 8.230 nan 0.000 0.432 492 A N -0.169 122.674 122.820 0.039 0.000 1.930 492 A HA -0.203 4.109 4.320 -0.013 0.000 0.217 492 A C 2.192 179.803 177.584 0.046 0.000 1.175 492 A CA 1.447 53.543 52.037 0.099 0.000 0.627 492 A CB -0.598 18.515 19.000 0.187 0.000 0.815 492 A HN 0.323 nan 8.150 nan 0.000 0.443 493 L N -0.114 121.073 121.223 -0.061 0.000 1.989 493 L HA -0.162 4.170 4.340 -0.013 0.000 0.211 493 L C 2.206 179.069 176.870 -0.013 0.000 1.071 493 L CA 2.377 57.185 54.840 -0.053 0.000 0.749 493 L CB -0.598 41.386 42.059 -0.126 0.000 0.890 493 L HN 0.335 nan 8.230 nan 0.000 0.431 494 E N 0.022 120.208 120.200 -0.023 0.000 2.077 494 E HA -0.190 4.152 4.350 -0.013 0.000 0.193 494 E C 2.198 178.818 176.600 0.034 0.000 0.989 494 E CA 1.363 57.761 56.400 -0.003 0.000 0.800 494 E CB -0.518 29.173 29.700 -0.016 0.000 0.746 494 E HN 0.647 nan 8.360 nan 0.000 0.452 495 A N 0.747 123.600 122.820 0.055 0.000 1.969 495 A HA -0.151 4.161 4.320 -0.013 0.000 0.218 495 A C 2.387 180.038 177.584 0.112 0.000 1.169 495 A CA 1.825 53.909 52.037 0.079 0.000 0.635 495 A CB -0.461 18.592 19.000 0.088 0.000 0.810 495 A HN 0.250 nan 8.150 nan 0.000 0.445 496 S N -0.410 115.383 115.700 0.156 0.000 2.355 496 S HA -0.061 4.401 4.470 -0.013 0.000 0.222 496 S C 1.899 176.611 174.600 0.187 0.000 1.031 496 S CA 1.319 59.684 58.200 0.274 0.000 0.993 496 S CB -0.438 62.976 63.200 0.357 0.000 0.859 496 S HN 0.494 nan 8.310 nan 0.000 0.453 497 L N 0.420 121.696 121.223 0.089 0.000 2.201 497 L HA 0.078 4.410 4.340 -0.013 0.000 0.212 497 L C 2.483 179.386 176.870 0.056 0.000 1.105 497 L CA 1.048 55.915 54.840 0.045 0.000 0.775 497 L CB -0.256 41.803 42.059 0.000 0.000 0.913 497 L HN 0.210 nan 8.230 nan 0.000 0.440 498 R N -0.438 120.099 120.500 0.062 0.000 2.359 498 R HA 0.066 4.398 4.340 -0.013 0.000 0.231 498 R C 0.132 176.472 176.300 0.067 0.000 0.913 498 R CA -0.099 56.033 56.100 0.055 0.000 1.075 498 R CB 0.010 30.337 30.300 0.045 0.000 1.087 498 R HN 0.181 nan 8.270 nan 0.000 0.515 499 N N 1.455 120.210 118.700 0.090 0.000 2.756 499 N HA -0.142 4.590 4.740 -0.013 0.000 0.248 499 N C -1.352 174.201 175.510 0.073 0.000 1.062 499 N CA 0.734 53.840 53.050 0.093 0.000 0.696 499 N CB -0.235 38.300 38.487 0.080 0.000 0.946 499 N HN 0.039 nan 8.380 nan 0.000 0.548 500 K N 0.071 120.514 120.400 0.072 0.000 2.762 500 K HA 0.281 4.593 4.320 -0.013 0.000 0.180 500 K C -1.942 174.690 176.600 0.053 0.000 1.067 500 K CA -1.329 54.993 56.287 0.060 0.000 0.973 500 K CB 1.337 33.874 32.500 0.061 0.000 1.290 500 K HN 0.161 nan 8.250 nan 0.000 0.604 501 P HA -0.108 nan 4.420 nan 0.000 0.228 501 P C 0.568 177.885 177.300 0.028 0.000 1.151 501 P CA 0.993 64.092 63.100 -0.002 0.000 0.770 501 P CB 0.515 32.197 31.700 -0.031 0.000 0.786 502 Q N -1.295 118.534 119.800 0.049 0.000 2.319 502 Q HA 0.250 4.582 4.340 -0.013 0.000 0.209 502 Q C 1.986 178.041 176.000 0.090 0.000 0.884 502 Q CA 0.246 56.090 55.803 0.068 0.000 0.938 502 Q CB 0.086 28.862 28.738 0.062 0.000 1.098 502 Q HN 0.169 nan 8.270 nan 0.000 0.517 503 A N 0.467 123.339 122.820 0.086 0.000 1.968 503 A HA 0.055 4.367 4.320 -0.013 0.000 0.217 503 A C 0.926 178.574 177.584 0.108 0.000 1.169 503 A CA 0.706 52.799 52.037 0.094 0.000 0.638 503 A CB 0.475 19.522 19.000 0.079 0.000 0.812 503 A HN 0.119 nan 8.150 nan 0.000 0.446 504 V N -0.190 119.795 119.914 0.119 0.000 2.531 504 V HA 0.599 4.711 4.120 -0.013 0.000 0.301 504 V C 0.269 176.472 176.094 0.183 0.000 1.034 504 V CA -0.946 61.441 62.300 0.145 0.000 0.865 504 V CB 1.140 33.071 31.823 0.180 0.000 0.995 504 V HN 0.453 nan 8.190 nan 0.000 0.424 505 A N 6.733 129.655 122.820 0.170 0.000 2.524 505 A HA 0.502 4.814 4.320 -0.013 0.000 0.250 505 A C -2.195 175.540 177.584 0.252 0.000 1.078 505 A CA -0.705 51.442 52.037 0.182 0.000 0.761 505 A CB -0.500 18.533 19.000 0.054 0.000 1.012 505 A HN 0.683 nan 8.150 nan 0.000 0.500 506 P HA -0.009 nan 4.420 nan 0.000 0.263 506 P C -0.353 176.986 177.300 0.064 0.000 1.175 506 P CA 0.300 63.467 63.100 0.112 0.000 0.761 506 P CB 0.126 31.872 31.700 0.076 0.000 0.794 507 F N 3.708 123.459 119.950 -0.332 0.000 2.484 507 F HA 0.153 4.673 4.527 -0.013 0.000 0.360 507 F C 0.746 176.316 175.800 -0.383 0.000 1.101 507 F CA 0.031 57.655 58.000 -0.626 0.000 1.251 507 F CB 0.280 38.385 39.000 -1.492 0.000 1.132 507 F HN 0.203 nan 8.300 nan 0.000 0.570 508 L N 4.155 124.879 121.223 -0.832 0.000 2.858 508 L HA 0.125 4.457 4.340 -0.013 0.000 0.251 508 L C 0.609 176.995 176.870 -0.807 0.000 1.149 508 L CA -0.037 54.371 54.840 -0.720 0.000 0.955 508 L CB -0.276 41.408 42.059 -0.626 0.000 1.289 508 L HN 0.760 nan 8.230 nan 0.000 0.542 509 N N 1.463 119.204 118.700 -1.597 0.000 2.725 509 N HA -0.145 4.587 4.740 -0.013 0.000 0.249 509 N C 0.324 175.643 175.510 -0.318 0.000 1.103 509 N CA 0.799 53.235 53.050 -1.022 0.000 0.707 509 N CB -0.886 37.321 38.487 -0.467 0.000 1.043 509 N HN 0.455 nan 8.380 nan 0.000 0.553 510 G N -0.887 107.782 108.800 -0.219 0.000 2.606 510 G HA2 0.699 4.651 3.960 -0.013 0.000 0.252 510 G HA3 0.699 4.651 3.960 -0.013 0.000 0.252 510 G C -0.202 174.636 174.900 -0.103 0.000 1.206 510 G CA 0.309 45.343 45.100 -0.109 0.000 0.861 510 G HN 0.840 nan 8.290 nan 0.000 0.561 511 A N -0.588 122.147 122.820 -0.142 0.000 2.608 511 A HA 0.856 5.167 4.320 -0.013 0.000 0.292 511 A C -0.071 177.444 177.584 -0.114 0.000 1.066 511 A CA -0.012 51.970 52.037 -0.091 0.000 0.676 511 A CB 1.192 20.166 19.000 -0.043 0.000 1.277 511 A HN 1.720 nan 8.150 nan 0.000 0.413 512 G N -0.773 107.978 108.800 -0.082 0.000 2.537 512 G HA2 0.884 4.836 3.960 -0.013 0.000 0.323 512 G HA3 0.884 4.836 3.960 -0.013 0.000 0.323 512 G C -0.765 174.194 174.900 0.098 0.000 1.207 512 G CA -0.344 44.715 45.100 -0.068 0.000 0.976 512 G HN 1.808 nan 8.290 nan 0.000 0.487 513 F N -1.464 118.396 119.950 -0.149 0.000 2.668 513 F HA 0.805 5.323 4.527 -0.014 0.000 0.309 513 F C -0.798 174.929 175.800 -0.120 0.000 1.117 513 F CA -1.079 56.865 58.000 -0.093 0.000 0.951 513 F CB 1.813 40.757 39.000 -0.094 0.000 1.323 513 F HN 0.507 nan 8.300 nan 0.000 0.451 514 T N 1.345 115.774 114.554 -0.208 0.000 2.881 514 T HA 0.462 4.804 4.350 -0.013 0.000 0.290 514 T C -1.604 173.010 174.700 -0.143 0.000 1.000 514 T CA -0.628 61.242 62.100 -0.383 0.000 0.978 514 T CB 1.807 70.443 68.868 -0.387 0.000 0.997 514 T HN 0.805 nan 8.240 nan 0.000 0.443 515 E N 1.300 121.379 120.200 -0.202 0.000 2.275 515 E HA 0.657 4.999 4.350 -0.013 0.000 0.270 515 E C -0.555 176.161 176.600 0.192 0.000 0.882 515 E CA -0.632 55.854 56.400 0.144 0.000 0.758 515 E CB 1.491 31.373 29.700 0.304 0.000 1.195 515 E HN 0.953 nan 8.360 nan 0.000 0.419 516 G N 1.586 110.584 108.800 0.330 0.000 2.340 516 G HA2 0.493 4.445 3.960 -0.013 0.000 0.299 516 G HA3 0.493 4.445 3.960 -0.013 0.000 0.299 516 G C -1.311 173.863 174.900 0.457 0.000 1.291 516 G CA -0.289 45.002 45.100 0.318 0.000 0.841 516 G HN 0.614 nan 8.290 nan 0.000 0.500 517 A N -0.754 122.273 122.820 0.345 0.000 2.477 517 A HA 0.589 4.901 4.320 -0.013 0.000 0.246 517 A C -0.862 176.963 177.584 0.403 0.000 1.078 517 A CA 0.264 52.480 52.037 0.298 0.000 0.770 517 A CB 0.081 19.196 19.000 0.193 0.000 1.011 517 A HN 1.683 nan 8.150 nan 0.000 0.494 518 Y N 2.264 122.576 120.300 0.021 0.000 2.421 518 Y HA 0.469 5.011 4.550 -0.014 0.000 0.339 518 Y C 0.190 175.978 175.900 -0.186 0.000 0.996 518 Y CA -0.816 57.116 58.100 -0.281 0.000 1.046 518 Y CB 1.238 39.327 38.460 -0.619 0.000 1.226 518 Y HN 0.767 nan 8.280 nan 0.000 0.445 519 R N 7.176 127.351 120.500 -0.541 0.000 2.316 519 R HA 0.250 4.582 4.340 -0.013 0.000 0.314 519 R C -0.466 175.620 176.300 -0.356 0.000 1.069 519 R CA -0.312 55.586 56.100 -0.337 0.000 0.959 519 R CB 0.417 30.558 30.300 -0.264 0.000 0.987 519 R HN 0.765 nan 8.270 nan 0.000 0.446 520 M N 2.695 122.235 119.600 -0.100 0.000 2.157 520 M HA -0.001 4.471 4.480 -0.013 0.000 0.304 520 M C 1.010 177.278 176.300 -0.053 0.000 1.171 520 M CA 0.154 55.443 55.300 -0.019 0.000 1.157 520 M CB 0.354 32.965 32.600 0.019 0.000 1.403 520 M HN 0.537 nan 8.290 nan 0.000 0.473 521 D N 1.121 121.508 120.400 -0.021 0.000 2.178 521 D HA -0.162 4.470 4.640 -0.013 0.000 0.201 521 D C 1.102 177.388 176.300 -0.023 0.000 0.980 521 D CA 1.381 55.365 54.000 -0.026 0.000 0.842 521 D CB -0.254 40.541 40.800 -0.008 0.000 0.948 521 D HN 0.607 nan 8.370 nan 0.000 0.472 522 D N -0.970 119.421 120.400 -0.015 0.000 2.363 522 D HA 0.067 4.699 4.640 -0.013 0.000 0.226 522 D C 1.569 177.860 176.300 -0.015 0.000 1.020 522 D CA 0.895 54.888 54.000 -0.012 0.000 0.892 522 D CB -0.151 40.646 40.800 -0.005 0.000 0.900 522 D HN 0.235 nan 8.370 nan 0.000 0.531 523 G N 0.004 108.789 108.800 -0.026 0.000 2.217 523 G HA2 -0.294 3.658 3.960 -0.013 0.000 0.246 523 G HA3 -0.294 3.658 3.960 -0.013 0.000 0.246 523 G C 0.458 175.346 174.900 -0.021 0.000 0.990 523 G CA 0.382 45.466 45.100 -0.028 0.000 0.627 523 G HN 0.889 nan 8.290 nan 0.000 0.522 524 S N 0.285 115.978 115.700 -0.012 0.000 2.584 524 S HA 0.675 5.137 4.470 -0.013 0.000 0.270 524 S C 0.518 175.119 174.600 0.001 0.000 1.346 524 S CA 0.657 58.857 58.200 0.000 0.000 1.018 524 S CB 1.756 64.961 63.200 0.007 0.000 0.899 524 S HN 1.938 nan 8.310 nan 0.000 0.542 525 A N 2.280 125.110 122.820 0.017 0.000 2.289 525 A HA 0.507 4.819 4.320 -0.013 0.000 0.298 525 A C 0.347 177.960 177.584 0.048 0.000 1.208 525 A CA -0.770 51.286 52.037 0.032 0.000 0.845 525 A CB 0.113 19.140 19.000 0.045 0.000 1.125 525 A HN 0.883 nan 8.150 nan 0.000 0.517 526 R N 3.196 123.737 120.500 0.069 0.000 2.233 526 R HA 0.420 4.752 4.340 -0.013 0.000 0.334 526 R C -0.240 176.119 176.300 0.099 0.000 1.037 526 R CA -0.416 55.728 56.100 0.074 0.000 0.920 526 R CB 0.327 30.669 30.300 0.070 0.000 1.137 526 R HN 0.724 nan 8.270 nan 0.000 0.492 527 V N 1.944 121.910 119.914 0.087 0.000 2.740 527 V HA 0.118 4.230 4.120 -0.013 0.000 0.303 527 V C 0.509 176.673 176.094 0.117 0.000 1.054 527 V CA -0.269 62.095 62.300 0.106 0.000 1.106 527 V CB 1.413 33.286 31.823 0.083 0.000 0.957 527 V HN 0.950 nan 8.190 nan 0.000 0.486 528 S N 1.628 117.423 115.700 0.158 0.000 3.631 528 S HA -0.167 4.295 4.470 -0.013 0.000 0.366 528 S C 0.539 175.237 174.600 0.164 0.000 0.993 528 S CA 1.066 59.372 58.200 0.177 0.000 1.167 528 S CB -1.988 61.295 63.200 0.139 0.000 0.909 528 S HN 1.210 nan 8.310 nan 0.000 0.478 529 T N 2.196 116.866 114.554 0.192 0.000 2.913 529 T HA 0.430 4.772 4.350 -0.013 0.000 0.297 529 T C 0.677 175.529 174.700 0.252 0.000 1.029 529 T CA -0.212 61.953 62.100 0.108 0.000 1.104 529 T CB 0.638 69.471 68.868 -0.059 0.000 0.964 529 T HN 0.371 nan 8.240 nan 0.000 0.532 530 R N 1.422 122.008 120.500 0.143 0.000 2.670 530 R HA 0.270 4.602 4.340 -0.013 0.000 0.289 530 R C 0.701 177.075 176.300 0.123 0.000 0.965 530 R CA -0.857 55.380 56.100 0.229 0.000 0.899 530 R CB 1.162 31.574 30.300 0.187 0.000 1.173 530 R HN 0.680 nan 8.270 nan 0.000 0.456 531 D N 1.463 121.994 120.400 0.220 0.000 2.228 531 D HA -0.246 4.386 4.640 -0.013 0.000 0.203 531 D C 0.574 176.944 176.300 0.117 0.000 0.988 531 D CA 1.301 55.347 54.000 0.076 0.000 0.864 531 D CB -0.140 40.741 40.800 0.135 0.000 0.928 531 D HN 0.432 nan 8.370 nan 0.000 0.469 532 N N 0.846 119.664 118.700 0.197 0.000 2.149 532 N HA -0.160 4.572 4.740 -0.013 0.000 0.188 532 N C 1.566 177.147 175.510 0.117 0.000 1.019 532 N CA 1.391 54.559 53.050 0.197 0.000 0.857 532 N CB -0.095 38.459 38.487 0.111 0.000 0.997 532 N HN 0.532 nan 8.380 nan 0.000 0.426 533 E N 0.945 121.158 120.200 0.021 0.000 2.107 533 E HA -0.048 4.294 4.350 -0.013 0.000 0.191 533 E C 2.214 178.756 176.600 -0.096 0.000 0.982 533 E CA 0.463 56.837 56.400 -0.042 0.000 0.809 533 E CB -0.096 29.550 29.700 -0.090 0.000 0.756 533 E HN 0.304 nan 8.360 nan 0.000 0.459 534 L N 0.029 121.125 121.223 -0.210 0.000 2.046 534 L HA -0.163 4.169 4.340 -0.013 0.000 0.208 534 L C 2.128 178.891 176.870 -0.178 0.000 1.077 534 L CA 1.018 55.668 54.840 -0.317 0.000 0.747 534 L CB -0.301 41.411 42.059 -0.580 0.000 0.896 534 L HN 0.093 nan 8.230 nan 0.000 0.432 535 F N -0.521 119.424 119.950 -0.009 0.000 2.604 535 F HA -0.067 4.452 4.527 -0.014 0.000 0.298 535 F C 2.028 177.852 175.800 0.039 0.000 1.131 535 F CA 0.763 58.789 58.000 0.044 0.000 1.457 535 F CB -0.329 38.692 39.000 0.035 0.000 1.095 535 F HN -0.029 nan 8.300 nan 0.000 0.574 536 L N -0.662 120.658 121.223 0.161 0.000 2.446 536 L HA 0.052 4.384 4.340 -0.013 0.000 0.219 536 L C 0.593 177.498 176.870 0.057 0.000 1.116 536 L CA 0.014 54.912 54.840 0.097 0.000 0.844 536 L CB -0.236 41.860 42.059 0.062 0.000 0.970 536 L HN -0.058 nan 8.230 nan 0.000 0.457 537 L N 0.682 121.929 121.223 0.040 0.000 2.453 537 L HA -0.000 4.332 4.340 -0.013 0.000 0.272 537 L C 0.111 176.987 176.870 0.010 0.000 1.182 537 L CA 0.245 55.092 54.840 0.013 0.000 0.858 537 L CB 0.126 42.182 42.059 -0.004 0.000 1.120 537 L HN 0.200 nan 8.230 nan 0.000 0.474 538 N N 0.547 119.243 118.700 -0.007 0.000 2.458 538 N HA 0.377 5.109 4.740 -0.013 0.000 0.271 538 N C -0.197 175.284 175.510 -0.049 0.000 1.210 538 N CA -0.882 52.155 53.050 -0.022 0.000 0.978 538 N CB 1.214 39.693 38.487 -0.013 0.000 1.206 538 N HN 0.227 nan 8.380 nan 0.000 0.536 539 V N 0.000 119.877 119.914 -0.061 0.000 2.409 539 V HA 0.000 4.112 4.120 -0.013 0.000 0.244 539 V CA 0.000 62.253 62.300 -0.079 0.000 1.235 539 V CB 0.000 31.780 31.823 -0.072 0.000 1.184 539 V HN 0.000 nan 8.190 nan 0.000 0.556