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 1uaa_1_B DATA FIRST_RESID 2 DATA SEQUENCE RLNPGQQQAV EFVTGPCLVL AGAGSGKTRV ITNKIAHLIR GCGYQARHIA DATA SEQUENCE AVTFTNKAAR EMKERVGQTL GRKEARGLMI STFHTLGLDI IKREYAALGM DATA SEQUENCE KANFSLFDDT DQLALLKELT EGLIEDDKVL LQQLISTISN WKNDLKTPSQ DATA SEQUENCE AAASAIGERD RIFAHCYGLY DAHLKACNVL DFDDLILLPT LLLQANEEVR DATA SEQUENCE KRWQNKIRYL LVDEYQDTNT SQYELVKLLV GSRARFTVVG DDDQSIYSWR DATA SEQUENCE GARPQNLVLL SQDFPALKVI KLEQNYRSSG RILKAANILI ANNPHVFEKR DATA SEQUENCE LFSELGYGAE LKVLSANNEE HEAERVTGEL IAHHFVNKTQ YKDYAILYRG DATA SEQUENCE NHQSRVFEKF LMQNRIPYKI SGGTSFFSRP EIKDLLAYLR VLTNPDDDSA DATA SEQUENCE FLRIVNTPKR EIGPATLKKL GEWAMTRNKS MFTASFDMGL SQTLSGRGYE DATA SEQUENCE ALTRFTHWLA EIQRLAEREP IAAVRDLIHG MDYESWLYET SPSPKAAEMR DATA SEQUENCE MKNVNQLFSW MTEMLEGSEL DEPMTLTQVV TRFTLRDXXX XXXXXEELDQ DATA SEQUENCE VQLMTLHASK GLEFPYVYMV GMEEGFLPHQ SSIDEDNIDE ERRLAYVGIT DATA SEQUENCE RAQKELTFTL CKERRQYGEL VRPEPSRFLL ELPQDDLIWE Q VARS RESID RESNAME ATOMNAME SS_SHIFT SHIFT RC_SHIFT HM_SHIFT EF_SHIFT SIGMA FORMAT %4d %4s %4s %9.3f %9.3f %9.3f %9.3f %9.3f %9.3f 2 R HA 0.000 nan 4.340 nan 0.000 0.208 2 R C 0.000 176.308 176.300 0.013 0.000 0.893 2 R CA 0.000 56.095 56.100 -0.008 0.000 0.921 2 R CB 0.000 30.295 30.300 -0.009 0.000 0.687 3 L N 3.567 124.795 121.223 0.008 0.000 2.325 3 L HA 0.303 4.644 4.340 0.001 0.000 0.284 3 L C 1.060 177.948 176.870 0.030 0.000 1.089 3 L CA -0.280 54.569 54.840 0.016 0.000 0.836 3 L CB 1.168 43.218 42.059 -0.014 0.000 1.184 3 L HN 0.837 nan 8.230 nan 0.000 0.444 4 N N 4.874 123.609 118.700 0.059 0.000 2.454 4 N HA 0.012 4.753 4.740 0.001 0.000 0.260 4 N C -1.977 173.550 175.510 0.028 0.000 1.218 4 N CA -1.025 52.062 53.050 0.062 0.000 0.904 4 N CB 0.953 39.485 38.487 0.075 0.000 1.065 4 N HN 0.300 nan 8.380 nan 0.000 0.462 5 P HA -0.300 nan 4.420 nan 0.000 0.227 5 P C 1.367 178.674 177.300 0.012 0.000 1.106 5 P CA 2.766 65.879 63.100 0.023 0.000 0.998 5 P CB -0.311 31.413 31.700 0.039 0.000 0.769 6 G N -0.997 107.812 108.800 0.014 0.000 2.514 6 G HA2 -0.333 3.627 3.960 0.001 0.000 0.217 6 G HA3 -0.333 3.627 3.960 0.001 0.000 0.217 6 G C 1.471 176.364 174.900 -0.011 0.000 1.198 6 G CA 1.401 46.502 45.100 0.003 0.000 0.780 6 G HN 0.374 nan 8.290 nan 0.000 0.565 7 Q N -0.496 119.288 119.800 -0.026 0.000 2.029 7 Q HA -0.289 4.052 4.340 0.001 0.000 0.209 7 Q C 2.591 178.573 176.000 -0.030 0.000 0.999 7 Q CA 1.893 57.676 55.803 -0.033 0.000 0.857 7 Q CB -0.348 28.372 28.738 -0.029 0.000 0.926 7 Q HN 0.506 nan 8.270 nan 0.000 0.415 8 Q N 1.171 120.956 119.800 -0.025 0.000 2.062 8 Q HA -0.293 4.047 4.340 0.001 0.000 0.209 8 Q C 1.985 177.966 176.000 -0.033 0.000 0.996 8 Q CA 2.537 58.317 55.803 -0.038 0.000 0.859 8 Q CB -0.393 28.331 28.738 -0.024 0.000 0.920 8 Q HN 0.487 nan 8.270 nan 0.000 0.415 9 Q N -0.844 118.952 119.800 -0.007 0.000 2.002 9 Q HA -0.209 4.132 4.340 0.001 0.000 0.204 9 Q C 1.944 177.974 176.000 0.049 0.000 0.988 9 Q CA 2.180 57.993 55.803 0.017 0.000 0.843 9 Q CB -0.597 28.149 28.738 0.015 0.000 0.908 9 Q HN 0.429 nan 8.270 nan 0.000 0.420 10 A N 0.332 123.175 122.820 0.038 0.000 1.986 10 A HA -0.157 4.164 4.320 0.001 0.000 0.220 10 A C 2.301 179.897 177.584 0.021 0.000 1.171 10 A CA 1.640 53.710 52.037 0.054 0.000 0.640 10 A CB -0.893 18.117 19.000 0.017 0.000 0.811 10 A HN 0.357 nan 8.150 nan 0.000 0.451 11 V N 0.182 120.077 119.914 -0.031 0.000 2.358 11 V HA -0.208 3.912 4.120 0.001 0.000 0.246 11 V C 2.414 178.443 176.094 -0.107 0.000 1.047 11 V CA 2.232 64.476 62.300 -0.093 0.000 1.035 11 V CB -0.529 31.204 31.823 -0.149 0.000 0.658 11 V HN 0.651 nan 8.190 nan 0.000 0.452 12 E N -0.833 119.326 120.200 -0.069 0.000 2.216 12 E HA -0.096 4.254 4.350 0.001 0.000 0.192 12 E C 0.825 177.528 176.600 0.172 0.000 0.988 12 E CA 0.163 56.565 56.400 0.003 0.000 0.834 12 E CB -0.031 29.674 29.700 0.008 0.000 0.772 12 E HN 0.506 nan 8.360 nan 0.000 0.479 13 F N 2.830 122.783 119.950 0.005 0.000 2.600 13 F HA 0.044 4.571 4.527 0.001 0.000 0.345 13 F C 0.848 176.679 175.800 0.053 0.000 1.271 13 F CA -0.839 57.176 58.000 0.025 0.000 1.138 13 F CB 0.245 39.250 39.000 0.009 0.000 1.449 13 F HN -0.273 nan 8.300 nan 0.000 0.645 14 V N 2.893 122.780 119.914 -0.045 0.000 3.376 14 V HA 0.162 4.282 4.120 0.001 0.000 0.313 14 V C 1.114 177.170 176.094 -0.063 0.000 1.393 14 V CA 0.889 63.127 62.300 -0.104 0.000 1.125 14 V CB -0.516 31.275 31.823 -0.053 0.000 1.037 14 V HN 0.723 nan 8.190 nan 0.000 0.440 15 T N -2.484 111.978 114.554 -0.154 0.000 3.134 15 T HA 0.665 5.015 4.350 0.001 0.000 0.260 15 T C 0.676 175.324 174.700 -0.086 0.000 1.027 15 T CA 0.536 62.639 62.100 0.005 0.000 0.913 15 T CB 0.020 69.002 68.868 0.190 0.000 1.046 15 T HN 1.216 nan 8.240 nan 0.000 0.553 16 G N 1.698 110.259 108.800 -0.398 0.000 2.441 16 G HA2 0.514 4.475 3.960 0.001 0.000 0.294 16 G HA3 0.514 4.475 3.960 0.001 0.000 0.294 16 G C -3.348 171.165 174.900 -0.646 0.000 1.393 16 G CA -1.072 43.824 45.100 -0.341 0.000 0.796 16 G HN -0.052 nan 8.290 nan 0.000 0.494 17 P HA 0.306 nan 4.420 nan 0.000 0.260 17 P C -0.109 176.829 177.300 -0.602 0.000 1.207 17 P CA 0.305 62.605 63.100 -1.334 0.000 0.780 17 P CB 0.507 31.571 31.700 -1.060 0.000 0.789 18 C N 6.164 125.179 119.300 -0.475 0.000 2.563 18 C HA 0.781 5.241 4.460 0.001 0.000 0.314 18 C C -1.084 173.945 174.990 0.065 0.000 1.199 18 C CA -0.853 58.122 59.018 -0.070 0.000 1.564 18 C CB 0.841 28.450 27.740 -0.218 0.000 2.173 18 C HN 0.582 nan 8.230 nan 0.000 0.485 19 L N 6.211 127.473 121.223 0.064 0.000 2.406 19 L HA 0.776 5.116 4.340 0.001 0.000 0.272 19 L C -1.135 175.724 176.870 -0.019 0.000 0.980 19 L CA -0.169 54.665 54.840 -0.011 0.000 0.831 19 L CB 1.787 43.818 42.059 -0.046 0.000 1.253 19 L HN 0.570 nan 8.230 nan 0.000 0.406 20 V N 6.230 126.117 119.914 -0.045 0.000 2.350 20 V HA 0.351 4.472 4.120 0.001 0.000 0.276 20 V C -0.165 175.872 176.094 -0.094 0.000 1.028 20 V CA -0.478 61.794 62.300 -0.047 0.000 0.860 20 V CB 1.414 33.217 31.823 -0.033 0.000 0.990 20 V HN 0.664 nan 8.190 nan 0.000 0.453 21 L N 6.359 127.512 121.223 -0.117 0.000 2.449 21 L HA 0.577 4.917 4.340 0.001 0.000 0.255 21 L C 0.788 177.594 176.870 -0.105 0.000 1.167 21 L CA -0.687 54.058 54.840 -0.157 0.000 1.090 21 L CB -0.107 41.801 42.059 -0.252 0.000 1.385 21 L HN 0.704 nan 8.230 nan 0.000 0.411 22 A N 2.853 125.617 122.820 -0.093 0.000 2.438 22 A HA 0.553 4.873 4.320 0.001 0.000 0.280 22 A C 0.950 178.487 177.584 -0.078 0.000 1.160 22 A CA 0.264 52.247 52.037 -0.090 0.000 0.821 22 A CB -0.482 18.463 19.000 -0.093 0.000 1.101 22 A HN 0.755 nan 8.150 nan 0.000 0.515 23 G N 1.307 110.062 108.800 -0.074 0.000 2.634 23 G HA2 0.532 4.493 3.960 0.001 0.000 0.255 23 G HA3 0.532 4.493 3.960 0.001 0.000 0.255 23 G C 0.557 175.414 174.900 -0.072 0.000 1.205 23 G CA 0.007 45.084 45.100 -0.039 0.000 0.884 23 G HN 1.555 nan 8.290 nan 0.000 0.549 24 A N -0.732 122.059 122.820 -0.048 0.000 2.546 24 A HA 0.500 4.820 4.320 0.001 0.000 0.243 24 A C 1.647 179.143 177.584 -0.147 0.000 1.063 24 A CA 1.176 53.154 52.037 -0.097 0.000 0.757 24 A CB -0.515 18.420 19.000 -0.110 0.000 0.991 24 A HN 2.617 nan 8.150 nan 0.000 0.503 25 G N 1.535 110.247 108.800 -0.146 0.000 2.153 25 G HA2 -0.263 3.698 3.960 0.001 0.000 0.252 25 G HA3 -0.263 3.698 3.960 0.001 0.000 0.252 25 G C 1.076 175.846 174.900 -0.217 0.000 0.994 25 G CA 1.255 46.260 45.100 -0.157 0.000 0.698 25 G HN 2.141 nan 8.290 nan 0.000 0.521 26 S N -0.698 114.867 115.700 -0.225 0.000 2.489 26 S HA 0.388 4.859 4.470 0.001 0.000 0.228 26 S C 2.057 176.508 174.600 -0.250 0.000 0.995 26 S CA 1.283 59.301 58.200 -0.304 0.000 0.934 26 S CB 0.102 63.164 63.200 -0.229 0.000 0.771 26 S HN 2.362 nan 8.310 nan 0.000 0.522 27 G N 2.561 111.274 108.800 -0.145 0.000 2.165 27 G HA2 -0.304 3.656 3.960 0.001 0.000 0.226 27 G HA3 -0.304 3.656 3.960 0.001 0.000 0.226 27 G C 0.557 175.417 174.900 -0.067 0.000 1.035 27 G CA 0.399 45.456 45.100 -0.072 0.000 0.744 27 G HN 0.765 nan 8.290 nan 0.000 0.501 28 K N -0.887 119.463 120.400 -0.082 0.000 2.034 28 K HA -0.213 4.108 4.320 0.001 0.000 0.214 28 K C 2.056 178.620 176.600 -0.061 0.000 1.051 28 K CA 2.310 58.553 56.287 -0.074 0.000 0.931 28 K CB -0.916 31.536 32.500 -0.080 0.000 0.715 28 K HN 0.274 nan 8.250 nan 0.000 0.446 29 T N 0.542 115.060 114.554 -0.059 0.000 2.897 29 T HA -0.148 4.203 4.350 0.001 0.000 0.271 29 T C 1.827 176.502 174.700 -0.042 0.000 1.084 29 T CA 1.641 63.710 62.100 -0.051 0.000 1.123 29 T CB -0.226 68.611 68.868 -0.050 0.000 0.865 29 T HN 0.409 nan 8.240 nan 0.000 0.496 30 R N 0.635 121.114 120.500 -0.036 0.000 2.062 30 R HA -0.044 4.297 4.340 0.001 0.000 0.231 30 R C 2.319 178.598 176.300 -0.035 0.000 1.136 30 R CA 1.067 57.151 56.100 -0.027 0.000 0.948 30 R CB -0.652 29.643 30.300 -0.008 0.000 0.845 30 R HN 0.192 nan 8.270 nan 0.000 0.430 31 V N 1.503 121.393 119.914 -0.040 0.000 2.220 31 V HA -0.348 3.772 4.120 0.001 0.000 0.250 31 V C 2.396 178.459 176.094 -0.051 0.000 1.056 31 V CA 2.324 64.596 62.300 -0.047 0.000 1.016 31 V CB -0.486 31.307 31.823 -0.050 0.000 0.639 31 V HN 0.380 nan 8.190 nan 0.000 0.446 32 I N -0.452 120.088 120.570 -0.051 0.000 2.113 32 I HA -0.348 3.823 4.170 0.001 0.000 0.242 32 I C 2.573 178.659 176.117 -0.052 0.000 1.064 32 I CA 2.309 63.578 61.300 -0.052 0.000 1.320 32 I CB -0.808 37.163 38.000 -0.048 0.000 1.028 32 I HN 0.392 nan 8.210 nan 0.000 0.406 33 T N 0.730 115.258 114.554 -0.044 0.000 2.555 33 T HA -0.234 4.116 4.350 0.001 0.000 0.264 33 T C 1.589 176.266 174.700 -0.038 0.000 1.083 33 T CA 2.289 64.367 62.100 -0.037 0.000 1.179 33 T CB -0.508 68.342 68.868 -0.030 0.000 0.863 33 T HN 0.318 nan 8.240 nan 0.000 0.412 34 N N 0.548 119.226 118.700 -0.037 0.000 2.192 34 N HA -0.113 4.628 4.740 0.001 0.000 0.188 34 N C 1.671 177.158 175.510 -0.040 0.000 1.013 34 N CA 1.124 54.153 53.050 -0.035 0.000 0.863 34 N CB -0.193 38.267 38.487 -0.045 0.000 0.990 34 N HN 0.328 nan 8.380 nan 0.000 0.430 35 K N 0.990 121.352 120.400 -0.063 0.000 1.985 35 K HA -0.013 4.308 4.320 0.001 0.000 0.210 35 K C 1.671 178.210 176.600 -0.102 0.000 1.047 35 K CA 1.056 57.289 56.287 -0.090 0.000 0.932 35 K CB -0.394 32.034 32.500 -0.120 0.000 0.716 35 K HN 0.101 nan 8.250 nan 0.000 0.439 36 I N 0.836 121.341 120.570 -0.109 0.000 2.039 36 I HA -0.374 3.796 4.170 0.001 0.000 0.233 36 I C 2.359 178.440 176.117 -0.060 0.000 1.040 36 I CA 1.575 62.810 61.300 -0.108 0.000 1.308 36 I CB -0.768 37.193 38.000 -0.066 0.000 1.035 36 I HN 0.407 nan 8.210 nan 0.000 0.392 37 A N -0.184 122.621 122.820 -0.024 0.000 1.944 37 A HA -0.366 3.954 4.320 0.001 0.000 0.222 37 A C 2.298 179.904 177.584 0.037 0.000 1.237 37 A CA 2.570 54.610 52.037 0.004 0.000 0.668 37 A CB -1.505 17.500 19.000 0.009 0.000 0.830 37 A HN 0.675 nan 8.150 nan 0.000 0.471 38 H N -0.836 118.187 119.070 -0.079 0.000 2.284 38 H HA -0.002 4.554 4.556 0.001 0.000 0.304 38 H C 2.143 177.415 175.328 -0.094 0.000 1.069 38 H CA 1.381 57.384 56.048 -0.075 0.000 1.327 38 H CB -0.228 29.482 29.762 -0.087 0.000 1.387 38 H HN 0.413 nan 8.280 nan 0.000 0.498 39 L N 0.572 121.720 121.223 -0.124 0.000 2.085 39 L HA -0.292 4.048 4.340 0.001 0.000 0.218 39 L C 2.614 179.392 176.870 -0.153 0.000 1.080 39 L CA 1.459 56.118 54.840 -0.302 0.000 0.776 39 L CB -0.355 41.425 42.059 -0.465 0.000 0.891 39 L HN 0.370 nan 8.230 nan 0.000 0.437 40 I N -0.891 119.636 120.570 -0.073 0.000 2.130 40 I HA -0.274 3.896 4.170 0.001 0.000 0.232 40 I C 2.601 178.707 176.117 -0.018 0.000 1.064 40 I CA 1.216 62.517 61.300 0.002 0.000 1.338 40 I CB -0.275 37.730 38.000 0.009 0.000 1.084 40 I HN 0.125 nan 8.210 nan 0.000 0.404 41 R N 0.498 120.980 120.500 -0.030 0.000 2.193 41 R HA -0.083 4.258 4.340 0.001 0.000 0.229 41 R C 1.818 178.079 176.300 -0.066 0.000 1.110 41 R CA 1.222 57.308 56.100 -0.024 0.000 0.988 41 R CB -0.373 29.932 30.300 0.008 0.000 0.871 41 R HN 0.492 nan 8.270 nan 0.000 0.458 42 G N -1.233 107.446 108.800 -0.201 0.000 3.062 42 G HA2 0.019 3.979 3.960 0.001 0.000 0.228 42 G HA3 0.019 3.979 3.960 0.001 0.000 0.228 42 G C 0.479 175.233 174.900 -0.243 0.000 1.094 42 G CA -0.156 44.772 45.100 -0.287 0.000 0.782 42 G HN 0.288 nan 8.290 nan 0.000 0.541 43 C N 0.163 119.363 119.300 -0.167 0.000 3.395 43 C HA 0.615 5.076 4.460 0.001 0.000 0.264 43 C C 1.896 176.934 174.990 0.079 0.000 2.141 43 C CA -0.639 58.365 59.018 -0.023 0.000 1.689 43 C CB -0.302 27.442 27.740 0.006 0.000 3.416 43 C HN 0.686 nan 8.230 nan 0.000 0.432 44 G N 0.853 109.674 108.800 0.036 0.000 4.843 44 G HA2 -0.443 3.517 3.960 0.001 0.000 0.229 44 G HA3 -0.443 3.517 3.960 0.001 0.000 0.229 44 G C 0.245 175.218 174.900 0.122 0.000 1.384 44 G CA 0.838 45.970 45.100 0.053 0.000 1.133 44 G HN 0.640 nan 8.290 nan 0.000 0.741 45 Y N 3.118 123.422 120.300 0.007 0.000 3.079 45 Y HA -0.116 4.434 4.550 0.001 0.000 0.226 45 Y C 1.363 177.316 175.900 0.088 0.000 1.078 45 Y CA 1.322 59.451 58.100 0.049 0.000 0.756 45 Y CB -0.847 37.616 38.460 0.006 0.000 1.117 45 Y HN 0.668 nan 8.280 nan 0.000 0.374 46 Q N 1.812 121.760 119.800 0.247 0.000 2.485 46 Q HA -0.078 4.263 4.340 0.001 0.000 0.348 46 Q C 1.598 177.677 176.000 0.131 0.000 1.097 46 Q CA 0.300 56.211 55.803 0.180 0.000 1.079 46 Q CB 0.676 29.519 28.738 0.175 0.000 1.108 46 Q HN 0.804 nan 8.270 nan 0.000 0.400 47 A N 4.766 127.617 122.820 0.051 0.000 1.881 47 A HA -0.317 4.004 4.320 0.001 0.000 0.219 47 A C 1.673 179.261 177.584 0.008 0.000 1.215 47 A CA 2.281 54.337 52.037 0.032 0.000 0.648 47 A CB -0.679 18.325 19.000 0.006 0.000 0.832 47 A HN 0.955 nan 8.150 nan 0.000 0.455 48 R N -0.864 119.573 120.500 -0.104 0.000 2.397 48 R HA -0.135 4.206 4.340 0.001 0.000 0.213 48 R C 0.644 176.836 176.300 -0.179 0.000 1.102 48 R CA 1.886 57.883 56.100 -0.171 0.000 1.040 48 R CB -0.798 29.333 30.300 -0.282 0.000 0.844 48 R HN 0.785 nan 8.270 nan 0.000 0.478 49 H N -0.372 118.781 119.070 0.139 0.000 2.784 49 H HA 0.380 4.937 4.556 0.001 0.000 0.273 49 H C -0.212 175.263 175.328 0.246 0.000 1.112 49 H CA -0.543 55.615 56.048 0.183 0.000 1.162 49 H CB 0.649 30.508 29.762 0.161 0.000 1.586 49 H HN 0.059 nan 8.280 nan 0.000 0.548 50 I N 1.438 122.174 120.570 0.276 0.000 2.378 50 I HA 0.490 4.661 4.170 0.001 0.000 0.291 50 I C -0.331 175.879 176.117 0.155 0.000 0.992 50 I CA -0.906 60.526 61.300 0.220 0.000 1.154 50 I CB 1.731 39.804 38.000 0.122 0.000 1.315 50 I HN 0.055 nan 8.210 nan 0.000 0.448 51 A N 5.213 128.126 122.820 0.156 0.000 2.318 51 A HA 0.859 5.179 4.320 0.001 0.000 0.317 51 A C -0.435 177.188 177.584 0.064 0.000 1.159 51 A CA -0.560 51.535 52.037 0.097 0.000 0.799 51 A CB 1.193 20.247 19.000 0.089 0.000 1.194 51 A HN 0.776 nan 8.150 nan 0.000 0.479 52 A N 2.894 125.729 122.820 0.025 0.000 2.277 52 A HA 0.622 4.942 4.320 0.001 0.000 0.318 52 A C -0.472 177.085 177.584 -0.046 0.000 1.339 52 A CA -0.356 51.677 52.037 -0.007 0.000 0.875 52 A CB 0.291 19.285 19.000 -0.011 0.000 1.158 52 A HN 0.933 nan 8.150 nan 0.000 0.514 53 V N 2.273 122.133 119.914 -0.089 0.000 2.630 53 V HA 0.835 4.956 4.120 0.001 0.000 0.305 53 V C 0.650 176.602 176.094 -0.236 0.000 1.046 53 V CA 0.171 62.354 62.300 -0.195 0.000 0.934 53 V CB 1.641 33.296 31.823 -0.279 0.000 1.003 53 V HN 1.112 nan 8.190 nan 0.000 0.451 54 T N 0.348 114.753 114.554 -0.250 0.000 2.754 54 T HA 0.547 4.897 4.350 0.001 0.000 0.296 54 T C -0.058 174.648 174.700 0.009 0.000 1.205 54 T CA -0.318 61.746 62.100 -0.061 0.000 1.009 54 T CB 1.407 70.256 68.868 -0.031 0.000 1.368 54 T HN 0.101 nan 8.240 nan 0.000 0.509 55 F N 1.272 121.064 119.950 -0.263 0.000 2.437 55 F HA 0.279 4.806 4.527 0.001 0.000 0.288 55 F C 1.807 177.549 175.800 -0.097 0.000 1.085 55 F CA 0.585 58.484 58.000 -0.168 0.000 1.430 55 F CB -0.482 38.442 39.000 -0.127 0.000 1.120 55 F HN 0.848 nan 8.300 nan 0.000 0.556 56 T N -2.874 111.743 114.554 0.105 0.000 2.929 56 T HA 0.256 4.606 4.350 0.001 0.000 0.284 56 T C 0.597 175.300 174.700 0.005 0.000 1.014 56 T CA -0.595 61.522 62.100 0.029 0.000 1.051 56 T CB 1.501 70.371 68.868 0.004 0.000 1.028 56 T HN 0.029 nan 8.240 nan 0.000 0.485 57 N N -0.058 118.637 118.700 -0.009 0.000 2.550 57 N HA 0.020 4.760 4.740 0.001 0.000 0.186 57 N C 1.693 177.199 175.510 -0.006 0.000 1.110 57 N CA 0.364 53.409 53.050 -0.008 0.000 0.912 57 N CB -0.003 38.477 38.487 -0.012 0.000 0.968 57 N HN 0.655 nan 8.380 nan 0.000 0.448 58 K N 0.411 120.806 120.400 -0.008 0.000 2.017 58 K HA 0.062 4.383 4.320 0.001 0.000 0.207 58 K C 1.991 178.581 176.600 -0.016 0.000 1.035 58 K CA 0.877 57.159 56.287 -0.009 0.000 0.947 58 K CB -0.219 32.276 32.500 -0.009 0.000 0.749 58 K HN 0.060 nan 8.250 nan 0.000 0.443 59 A N 1.620 124.427 122.820 -0.022 0.000 1.954 59 A HA -0.291 4.030 4.320 0.001 0.000 0.222 59 A C 2.310 179.877 177.584 -0.028 0.000 1.199 59 A CA 2.543 54.560 52.037 -0.032 0.000 0.657 59 A CB -1.185 17.791 19.000 -0.040 0.000 0.823 59 A HN 0.596 nan 8.150 nan 0.000 0.463 60 A N 0.751 123.558 122.820 -0.021 0.000 1.848 60 A HA -0.271 4.050 4.320 0.001 0.000 0.217 60 A C 2.230 179.806 177.584 -0.013 0.000 1.220 60 A CA 2.693 54.719 52.037 -0.018 0.000 0.645 60 A CB -0.820 18.173 19.000 -0.012 0.000 0.842 60 A HN 0.777 nan 8.150 nan 0.000 0.451 61 R N -0.272 120.223 120.500 -0.009 0.000 2.105 61 R HA -0.171 4.170 4.340 0.001 0.000 0.239 61 R C 2.098 178.392 176.300 -0.010 0.000 1.135 61 R CA 1.732 57.829 56.100 -0.006 0.000 0.967 61 R CB -0.725 29.574 30.300 -0.001 0.000 0.861 61 R HN 0.739 nan 8.270 nan 0.000 0.442 62 E N 1.394 121.585 120.200 -0.015 0.000 2.058 62 E HA -0.278 4.072 4.350 0.001 0.000 0.194 62 E C 2.056 178.642 176.600 -0.022 0.000 0.997 62 E CA 1.633 58.021 56.400 -0.020 0.000 0.801 62 E CB -0.170 29.514 29.700 -0.027 0.000 0.746 62 E HN 0.510 nan 8.360 nan 0.000 0.450 63 M N 0.587 120.173 119.600 -0.025 0.000 2.117 63 M HA -0.168 4.312 4.480 0.001 0.000 0.262 63 M C 2.095 178.384 176.300 -0.019 0.000 1.065 63 M CA 1.762 57.047 55.300 -0.025 0.000 1.114 63 M CB -0.014 32.569 32.600 -0.030 0.000 1.361 63 M HN 0.003 nan 8.290 nan 0.000 0.408 64 K N -0.009 120.383 120.400 -0.013 0.000 2.063 64 K HA -0.186 4.134 4.320 0.001 0.000 0.208 64 K C 1.714 178.310 176.600 -0.007 0.000 1.048 64 K CA 1.778 58.061 56.287 -0.007 0.000 0.928 64 K CB -0.459 32.040 32.500 -0.002 0.000 0.713 64 K HN 0.542 nan 8.250 nan 0.000 0.442 65 E N 0.983 121.178 120.200 -0.009 0.000 2.013 65 E HA -0.256 4.095 4.350 0.001 0.000 0.202 65 E C 2.261 178.854 176.600 -0.011 0.000 1.018 65 E CA 1.454 57.849 56.400 -0.009 0.000 0.834 65 E CB -0.147 29.547 29.700 -0.010 0.000 0.770 65 E HN 0.178 nan 8.360 nan 0.000 0.459 66 R N 0.801 121.292 120.500 -0.015 0.000 2.080 66 R HA -0.176 4.164 4.340 0.001 0.000 0.236 66 R C 2.338 178.630 176.300 -0.014 0.000 1.137 66 R CA 1.443 57.533 56.100 -0.016 0.000 0.943 66 R CB -0.629 29.658 30.300 -0.021 0.000 0.846 66 R HN 0.025 nan 8.270 nan 0.000 0.431 67 V N 0.019 119.925 119.914 -0.014 0.000 2.222 67 V HA -0.299 3.822 4.120 0.001 0.000 0.252 67 V C 2.280 178.370 176.094 -0.008 0.000 1.060 67 V CA 2.319 64.611 62.300 -0.012 0.000 1.027 67 V CB -1.221 30.595 31.823 -0.011 0.000 0.644 67 V HN 0.732 nan 8.190 nan 0.000 0.448 68 G N -1.650 107.147 108.800 -0.005 0.000 2.470 68 G HA2 -0.296 3.664 3.960 0.001 0.000 0.220 68 G HA3 -0.296 3.664 3.960 0.001 0.000 0.220 68 G C 1.469 176.367 174.900 -0.004 0.000 1.121 68 G CA 0.839 45.937 45.100 -0.003 0.000 0.766 68 G HN 0.503 nan 8.290 nan 0.000 0.553 69 Q N 0.607 120.403 119.800 -0.006 0.000 2.378 69 Q HA 0.005 4.345 4.340 0.001 0.000 0.205 69 Q C 2.524 178.520 176.000 -0.007 0.000 0.954 69 Q CA 1.773 57.572 55.803 -0.007 0.000 0.901 69 Q CB -0.122 28.610 28.738 -0.010 0.000 0.981 69 Q HN 0.558 nan 8.270 nan 0.000 0.483 70 T N -3.190 111.360 114.554 -0.007 0.000 3.056 70 T HA 0.214 4.565 4.350 0.001 0.000 0.241 70 T C 0.485 175.184 174.700 -0.002 0.000 1.006 70 T CA -0.396 61.701 62.100 -0.005 0.000 1.115 70 T CB 0.118 68.982 68.868 -0.007 0.000 0.939 70 T HN -0.017 nan 8.240 nan 0.000 0.462 71 L N 2.854 124.076 121.223 -0.002 0.000 2.397 71 L HA 0.578 4.918 4.340 0.001 0.000 0.271 71 L C 1.115 177.986 176.870 0.001 0.000 1.148 71 L CA -0.285 54.556 54.840 0.001 0.000 0.825 71 L CB 0.366 42.425 42.059 0.001 0.000 1.117 71 L HN 0.455 nan 8.230 nan 0.000 0.456 72 G N 3.034 111.835 108.800 0.003 0.000 2.378 72 G HA2 0.142 4.102 3.960 0.001 0.000 0.255 72 G HA3 0.142 4.102 3.960 0.001 0.000 0.255 72 G C 1.115 176.017 174.900 0.003 0.000 1.270 72 G CA -0.457 44.645 45.100 0.003 0.000 0.876 72 G HN 0.671 nan 8.290 nan 0.000 0.521 73 R N 1.618 122.120 120.500 0.003 0.000 2.311 73 R HA -0.300 4.040 4.340 0.001 0.000 0.255 73 R C 2.354 178.656 176.300 0.004 0.000 1.101 73 R CA 2.440 58.542 56.100 0.004 0.000 0.948 73 R CB -0.481 29.821 30.300 0.004 0.000 0.943 73 R HN 0.691 nan 8.270 nan 0.000 0.448 74 K N 0.904 121.306 120.400 0.004 0.000 1.978 74 K HA -0.160 4.161 4.320 0.001 0.000 0.221 74 K C 1.861 178.463 176.600 0.003 0.000 1.036 74 K CA 1.791 58.080 56.287 0.004 0.000 0.996 74 K CB -1.199 31.303 32.500 0.004 0.000 0.755 74 K HN 0.484 nan 8.250 nan 0.000 0.445 75 E N 1.127 121.330 120.200 0.005 0.000 2.312 75 E HA -0.316 4.035 4.350 0.001 0.000 0.209 75 E C 1.675 178.279 176.600 0.006 0.000 1.047 75 E CA 1.665 58.069 56.400 0.006 0.000 0.840 75 E CB -0.536 29.169 29.700 0.008 0.000 0.738 75 E HN 0.383 nan 8.360 nan 0.000 0.478 76 A N 1.403 124.226 122.820 0.004 0.000 2.209 76 A HA -0.030 4.290 4.320 0.001 0.000 0.212 76 A C 1.014 178.600 177.584 0.004 0.000 1.158 76 A CA -0.059 51.981 52.037 0.004 0.000 0.742 76 A CB -0.387 18.615 19.000 0.003 0.000 0.790 76 A HN 0.097 nan 8.150 nan 0.000 0.472 77 R N -0.440 120.061 120.500 0.002 0.000 2.678 77 R HA 0.154 4.494 4.340 0.001 0.000 0.264 77 R C 1.004 177.303 176.300 -0.002 0.000 0.995 77 R CA 0.814 56.913 56.100 -0.000 0.000 1.098 77 R CB -0.179 30.118 30.300 -0.005 0.000 0.949 77 R HN 0.650 nan 8.270 nan 0.000 0.422 78 G N 2.877 111.679 108.800 0.004 0.000 2.290 78 G HA2 -0.236 3.724 3.960 0.001 0.000 0.270 78 G HA3 -0.236 3.724 3.960 0.001 0.000 0.270 78 G C -0.231 174.680 174.900 0.019 0.000 0.891 78 G CA -0.216 44.890 45.100 0.010 0.000 1.321 78 G HN 0.269 nan 8.290 nan 0.000 0.425 79 L N 2.268 123.507 121.223 0.025 0.000 2.265 79 L HA 0.392 4.732 4.340 0.001 0.000 0.289 79 L C 1.379 178.273 176.870 0.040 0.000 1.033 79 L CA -0.637 54.222 54.840 0.032 0.000 0.814 79 L CB 1.394 43.465 42.059 0.020 0.000 1.203 79 L HN 0.423 nan 8.230 nan 0.000 0.423 80 M N 4.491 124.125 119.600 0.057 0.000 2.868 80 M HA 0.058 4.538 4.480 0.001 0.000 0.200 80 M C 0.428 176.745 176.300 0.028 0.000 1.098 80 M CA 0.561 55.894 55.300 0.056 0.000 1.072 80 M CB -0.883 31.764 32.600 0.079 0.000 1.794 80 M HN 0.311 nan 8.290 nan 0.000 0.477 81 I N 0.469 121.050 120.570 0.018 0.000 2.710 81 I HA 0.105 4.275 4.170 0.001 0.000 0.286 81 I C 0.665 176.780 176.117 -0.003 0.000 1.181 81 I CA 0.068 61.368 61.300 -0.000 0.000 1.430 81 I CB 0.053 38.052 38.000 -0.001 0.000 1.367 81 I HN 0.465 nan 8.210 nan 0.000 0.577 82 S N 2.176 117.864 115.700 -0.021 0.000 2.690 82 S HA 0.226 4.696 4.470 0.001 0.000 0.264 82 S C -0.482 174.093 174.600 -0.042 0.000 1.040 82 S CA -0.724 57.467 58.200 -0.015 0.000 0.869 82 S CB 1.008 64.207 63.200 -0.001 0.000 1.132 82 S HN 0.782 nan 8.310 nan 0.000 0.474 83 T N -0.831 113.711 114.554 -0.021 0.000 2.770 83 T HA 0.589 4.939 4.350 0.001 0.000 0.281 83 T C 0.687 175.368 174.700 -0.031 0.000 0.981 83 T CA -0.426 61.651 62.100 -0.039 0.000 0.955 83 T CB -0.037 68.844 68.868 0.022 0.000 1.060 83 T HN 0.428 nan 8.240 nan 0.000 0.531 84 F N 0.839 120.671 119.950 -0.196 0.000 2.060 84 F HA 0.086 4.613 4.527 0.001 0.000 0.295 84 F C 2.613 178.262 175.800 -0.251 0.000 1.120 84 F CA 1.677 59.486 58.000 -0.317 0.000 1.205 84 F CB -1.417 37.236 39.000 -0.579 0.000 0.986 84 F HN 0.782 nan 8.300 nan 0.000 0.470 85 H N -1.247 117.857 119.070 0.056 0.000 2.357 85 H HA -0.173 4.383 4.556 0.001 0.000 0.296 85 H C 2.227 177.562 175.328 0.012 0.000 1.108 85 H CA 2.180 58.224 56.048 -0.006 0.000 1.273 85 H CB -0.694 29.028 29.762 -0.067 0.000 1.367 85 H HN 0.133 nan 8.280 nan 0.000 0.498 86 T N 0.793 115.421 114.554 0.124 0.000 2.580 86 T HA -0.208 4.143 4.350 0.001 0.000 0.265 86 T C 2.106 176.840 174.700 0.057 0.000 1.063 86 T CA 1.505 63.654 62.100 0.082 0.000 1.170 86 T CB -0.568 68.332 68.868 0.053 0.000 0.863 86 T HN 0.216 nan 8.240 nan 0.000 0.418 87 L N 0.867 122.105 121.223 0.025 0.000 1.956 87 L HA -0.067 4.274 4.340 0.001 0.000 0.216 87 L C 2.683 179.519 176.870 -0.056 0.000 1.073 87 L CA 2.390 57.210 54.840 -0.033 0.000 0.762 87 L CB -1.213 40.807 42.059 -0.066 0.000 0.889 87 L HN 0.371 nan 8.230 nan 0.000 0.433 88 G N -0.079 108.681 108.800 -0.067 0.000 2.597 88 G HA2 -0.395 3.566 3.960 0.001 0.000 0.222 88 G HA3 -0.395 3.566 3.960 0.001 0.000 0.222 88 G C 1.602 176.491 174.900 -0.019 0.000 1.135 88 G CA 1.591 46.637 45.100 -0.091 0.000 0.759 88 G HN 0.564 nan 8.290 nan 0.000 0.595 89 L N -0.019 121.224 121.223 0.035 0.000 2.007 89 L HA 0.032 4.373 4.340 0.001 0.000 0.205 89 L C 2.450 179.371 176.870 0.084 0.000 1.073 89 L CA 2.400 57.280 54.840 0.066 0.000 0.744 89 L CB -0.513 41.605 42.059 0.098 0.000 0.898 89 L HN 0.225 nan 8.230 nan 0.000 0.435 90 D N -0.131 120.318 120.400 0.082 0.000 2.239 90 D HA -0.241 4.399 4.640 0.001 0.000 0.202 90 D C 2.025 178.432 176.300 0.179 0.000 0.993 90 D CA 1.376 55.448 54.000 0.121 0.000 0.874 90 D CB 0.044 40.906 40.800 0.104 0.000 0.922 90 D HN 0.338 nan 8.370 nan 0.000 0.464 91 I N 0.249 120.880 120.570 0.102 0.000 2.130 91 I HA -0.197 3.974 4.170 0.001 0.000 0.234 91 I C 2.519 178.809 176.117 0.288 0.000 1.067 91 I CA 0.726 62.145 61.300 0.198 0.000 1.339 91 I CB -1.208 36.785 38.000 -0.012 0.000 1.073 91 I HN 0.101 nan 8.210 nan 0.000 0.405 92 I N 1.262 121.953 120.570 0.202 0.000 2.147 92 I HA -0.424 3.746 4.170 0.001 0.000 0.245 92 I C 2.608 178.909 176.117 0.306 0.000 1.059 92 I CA 2.182 63.634 61.300 0.253 0.000 1.320 92 I CB -0.627 37.451 38.000 0.129 0.000 1.021 92 I HN 0.286 nan 8.210 nan 0.000 0.415 93 K N 1.663 122.198 120.400 0.225 0.000 1.965 93 K HA -0.204 4.116 4.320 0.001 0.000 0.218 93 K C 2.137 178.891 176.600 0.257 0.000 1.048 93 K CA 1.863 58.279 56.287 0.214 0.000 0.960 93 K CB -0.593 32.008 32.500 0.168 0.000 0.732 93 K HN 0.112 nan 8.250 nan 0.000 0.444 94 R N 0.216 120.874 120.500 0.264 0.000 2.117 94 R HA -0.110 4.231 4.340 0.001 0.000 0.243 94 R C 2.166 178.589 176.300 0.206 0.000 1.143 94 R CA 1.675 57.919 56.100 0.239 0.000 0.968 94 R CB -0.286 30.197 30.300 0.305 0.000 0.863 94 R HN 0.419 nan 8.270 nan 0.000 0.444 95 E N -0.665 119.699 120.200 0.273 0.000 2.371 95 E HA -0.097 4.254 4.350 0.001 0.000 0.194 95 E C 1.416 178.107 176.600 0.152 0.000 1.012 95 E CA 0.673 57.184 56.400 0.184 0.000 0.860 95 E CB -0.015 29.818 29.700 0.222 0.000 0.811 95 E HN 0.417 nan 8.360 nan 0.000 0.502 96 Y N 1.193 121.561 120.300 0.114 0.000 2.263 96 Y HA -0.062 4.488 4.550 0.001 0.000 0.292 96 Y C 2.346 178.282 175.900 0.059 0.000 1.130 96 Y CA 1.239 59.395 58.100 0.093 0.000 1.179 96 Y CB -0.099 38.433 38.460 0.120 0.000 0.998 96 Y HN 0.031 nan 8.280 nan 0.000 0.532 97 A N -0.484 122.459 122.820 0.205 0.000 2.119 97 A HA 0.006 4.326 4.320 0.001 0.000 0.217 97 A C 2.299 179.915 177.584 0.055 0.000 1.153 97 A CA 1.222 53.328 52.037 0.115 0.000 0.692 97 A CB -0.976 18.086 19.000 0.103 0.000 0.799 97 A HN 0.417 nan 8.150 nan 0.000 0.458 98 A N 0.447 123.290 122.820 0.038 0.000 1.841 98 A HA -0.035 4.285 4.320 0.001 0.000 0.214 98 A C 1.853 179.424 177.584 -0.021 0.000 1.195 98 A CA 1.345 53.379 52.037 -0.006 0.000 0.611 98 A CB -0.756 18.230 19.000 -0.023 0.000 0.835 98 A HN 0.483 nan 8.150 nan 0.000 0.443 99 L N -0.780 120.417 121.223 -0.043 0.000 2.651 99 L HA -0.038 4.302 4.340 0.001 0.000 0.236 99 L C 1.890 178.740 176.870 -0.032 0.000 1.173 99 L CA 0.681 55.486 54.840 -0.057 0.000 0.843 99 L CB -0.938 41.054 42.059 -0.112 0.000 0.964 99 L HN 0.723 nan 8.230 nan 0.000 0.454 100 G N -0.375 108.419 108.800 -0.011 0.000 2.284 100 G HA2 -0.307 3.653 3.960 0.001 0.000 0.230 100 G HA3 -0.307 3.653 3.960 0.001 0.000 0.230 100 G C 0.502 175.414 174.900 0.020 0.000 1.021 100 G CA 0.313 45.415 45.100 0.003 0.000 0.619 100 G HN 0.347 nan 8.290 nan 0.000 0.510 101 M N 0.061 119.674 119.600 0.022 0.000 1.801 101 M HA 0.710 5.191 4.480 0.001 0.000 0.211 101 M C 0.530 176.913 176.300 0.138 0.000 1.304 101 M CA 0.177 55.517 55.300 0.065 0.000 0.912 101 M CB 0.311 32.948 32.600 0.062 0.000 1.257 101 M HN 0.369 nan 8.290 nan 0.000 0.458 102 K N -0.275 120.238 120.400 0.189 0.000 2.548 102 K HA 0.802 5.122 4.320 0.001 0.000 0.282 102 K C -2.085 174.553 176.600 0.063 0.000 1.006 102 K CA -0.607 55.782 56.287 0.170 0.000 0.892 102 K CB 1.462 33.999 32.500 0.062 0.000 1.499 102 K HN 0.862 nan 8.250 nan 0.000 0.433 103 A N 0.801 123.538 122.820 -0.138 0.000 2.288 103 A HA 0.765 5.086 4.320 0.001 0.000 0.328 103 A C -0.910 176.341 177.584 -0.555 0.000 1.123 103 A CA -0.252 51.439 52.037 -0.577 0.000 0.861 103 A CB 0.331 19.075 19.000 -0.426 0.000 1.272 103 A HN 1.046 nan 8.150 nan 0.000 0.490 104 N N -0.786 117.232 118.700 -1.138 0.000 3.560 104 N HA 0.261 5.002 4.740 0.001 0.000 0.183 104 N C -1.583 173.628 175.510 -0.498 0.000 1.495 104 N CA -0.456 52.267 53.050 -0.545 0.000 0.793 104 N CB -0.593 37.696 38.487 -0.330 0.000 1.681 104 N HN 0.605 nan 8.380 nan 0.000 0.667 105 F N -1.101 118.814 119.950 -0.059 0.000 3.361 105 F HA 0.499 5.026 4.527 0.001 0.000 0.390 105 F C 0.288 176.071 175.800 -0.029 0.000 1.251 105 F CA -1.883 56.086 58.000 -0.051 0.000 1.260 105 F CB 0.049 39.000 39.000 -0.083 0.000 1.847 105 F HN 0.171 nan 8.300 nan 0.000 0.673 106 S N 5.074 120.912 115.700 0.230 0.000 2.702 106 S HA 0.174 4.644 4.470 0.001 0.000 0.314 106 S C 0.523 175.188 174.600 0.108 0.000 1.244 106 S CA -0.689 57.600 58.200 0.148 0.000 1.058 106 S CB 0.026 63.298 63.200 0.119 0.000 0.783 106 S HN 0.543 nan 8.310 nan 0.000 0.503 107 L N 4.036 125.283 121.223 0.041 0.000 2.559 107 L HA 0.176 4.517 4.340 0.001 0.000 0.282 107 L C 0.539 177.382 176.870 -0.044 0.000 1.232 107 L CA 0.183 54.981 54.840 -0.070 0.000 0.885 107 L CB -1.318 40.677 42.059 -0.107 0.000 1.131 107 L HN 0.639 nan 8.230 nan 0.000 0.498 108 F N 2.833 122.587 119.950 -0.328 0.000 2.659 108 F HA 0.086 4.613 4.527 0.001 0.000 0.360 108 F C 0.980 176.521 175.800 -0.432 0.000 1.218 108 F CA -1.447 56.385 58.000 -0.281 0.000 1.317 108 F CB -0.883 37.999 39.000 -0.197 0.000 1.697 108 F HN 0.704 nan 8.300 nan 0.000 0.637 109 D N 1.377 121.535 120.400 -0.404 0.000 2.661 109 D HA -0.160 4.480 4.640 0.001 0.000 0.244 109 D C 1.317 177.487 176.300 -0.216 0.000 1.196 109 D CA 0.617 54.383 54.000 -0.389 0.000 0.881 109 D CB 0.374 41.114 40.800 -0.101 0.000 1.141 109 D HN 0.518 nan 8.370 nan 0.000 0.530 110 D N 2.371 122.717 120.400 -0.090 0.000 3.192 110 D HA -0.472 4.169 4.640 0.001 0.000 0.543 110 D C 1.434 177.709 176.300 -0.042 0.000 1.080 110 D CA 3.170 57.197 54.000 0.045 0.000 1.545 110 D CB -1.249 39.643 40.800 0.154 0.000 0.300 110 D HN 0.627 nan 8.370 nan 0.000 0.628 111 T N -0.334 114.182 114.554 -0.062 0.000 2.570 111 T HA -0.248 4.103 4.350 0.001 0.000 0.266 111 T C 1.569 176.160 174.700 -0.181 0.000 1.071 111 T CA 3.305 65.350 62.100 -0.092 0.000 1.172 111 T CB -0.689 68.127 68.868 -0.085 0.000 0.864 111 T HN 0.283 nan 8.240 nan 0.000 0.421 112 D N 0.983 121.192 120.400 -0.318 0.000 2.191 112 D HA -0.193 4.447 4.640 0.001 0.000 0.190 112 D C 2.288 178.220 176.300 -0.613 0.000 1.007 112 D CA 1.778 55.421 54.000 -0.595 0.000 0.865 112 D CB -0.442 39.757 40.800 -1.002 0.000 0.929 112 D HN 0.672 nan 8.370 nan 0.000 0.447 113 Q N 0.361 119.923 119.800 -0.397 0.000 1.921 113 Q HA -0.120 4.221 4.340 0.001 0.000 0.208 113 Q C 2.578 178.611 176.000 0.055 0.000 0.994 113 Q CA 0.935 56.755 55.803 0.028 0.000 0.857 113 Q CB -0.465 28.400 28.738 0.211 0.000 0.925 113 Q HN 0.275 nan 8.270 nan 0.000 0.421 114 L N 0.627 121.866 121.223 0.026 0.000 2.054 114 L HA -0.343 3.997 4.340 0.001 0.000 0.220 114 L C 2.245 179.115 176.870 -0.001 0.000 1.081 114 L CA 1.993 56.847 54.840 0.023 0.000 0.780 114 L CB -0.555 41.504 42.059 -0.000 0.000 0.893 114 L HN 0.312 nan 8.230 nan 0.000 0.438 115 A N 0.044 122.831 122.820 -0.054 0.000 1.842 115 A HA -0.318 4.002 4.320 0.001 0.000 0.217 115 A C 2.224 179.781 177.584 -0.044 0.000 1.206 115 A CA 2.244 54.241 52.037 -0.067 0.000 0.630 115 A CB -1.351 17.575 19.000 -0.123 0.000 0.839 115 A HN 0.603 nan 8.150 nan 0.000 0.447 116 L N -0.472 120.720 121.223 -0.051 0.000 2.089 116 L HA -0.203 4.137 4.340 0.001 0.000 0.213 116 L C 2.227 179.096 176.870 -0.002 0.000 1.079 116 L CA 2.036 56.872 54.840 -0.006 0.000 0.758 116 L CB -0.466 41.666 42.059 0.122 0.000 0.891 116 L HN 0.411 nan 8.230 nan 0.000 0.433 117 L N -0.491 120.764 121.223 0.053 0.000 2.141 117 L HA -0.182 4.158 4.340 0.001 0.000 0.209 117 L C 2.720 179.614 176.870 0.040 0.000 1.094 117 L CA 1.476 56.367 54.840 0.085 0.000 0.763 117 L CB -0.693 41.441 42.059 0.123 0.000 0.908 117 L HN 0.369 nan 8.230 nan 0.000 0.437 118 K N 1.078 121.487 120.400 0.015 0.000 1.965 118 K HA -0.251 4.069 4.320 0.001 0.000 0.214 118 K C 1.969 178.565 176.600 -0.007 0.000 1.046 118 K CA 2.290 58.579 56.287 0.003 0.000 0.944 118 K CB -0.251 32.242 32.500 -0.012 0.000 0.726 118 K HN 0.443 nan 8.250 nan 0.000 0.441 119 E N 1.174 121.360 120.200 -0.023 0.000 2.114 119 E HA -0.222 4.128 4.350 0.001 0.000 0.199 119 E C 2.321 178.899 176.600 -0.036 0.000 1.008 119 E CA 1.790 58.171 56.400 -0.031 0.000 0.810 119 E CB -0.806 28.868 29.700 -0.043 0.000 0.739 119 E HN 0.396 nan 8.360 nan 0.000 0.456 120 L N 0.616 121.807 121.223 -0.054 0.000 2.042 120 L HA -0.083 4.257 4.340 0.001 0.000 0.210 120 L C 1.296 178.173 176.870 0.011 0.000 1.076 120 L CA 1.641 56.451 54.840 -0.049 0.000 0.749 120 L CB -0.486 41.551 42.059 -0.037 0.000 0.893 120 L HN 0.394 nan 8.230 nan 0.000 0.432 121 T N -4.152 110.414 114.554 0.020 0.000 3.427 121 T HA 0.209 4.559 4.350 0.001 0.000 0.306 121 T C 0.461 175.174 174.700 0.023 0.000 1.733 121 T CA -0.517 61.600 62.100 0.028 0.000 1.599 121 T CB 1.150 70.036 68.868 0.030 0.000 0.964 121 T HN 0.196 nan 8.240 nan 0.000 0.701 122 E N 2.501 122.714 120.200 0.021 0.000 2.021 122 E HA 0.114 4.464 4.350 0.001 0.000 0.191 122 E C 2.289 178.897 176.600 0.014 0.000 0.971 122 E CA 1.063 57.471 56.400 0.012 0.000 0.825 122 E CB -0.697 29.008 29.700 0.007 0.000 0.788 122 E HN 0.567 nan 8.360 nan 0.000 0.460 123 G N 0.817 109.629 108.800 0.021 0.000 2.402 123 G HA2 -0.197 3.764 3.960 0.001 0.000 0.216 123 G HA3 -0.197 3.764 3.960 0.001 0.000 0.216 123 G C 1.455 176.369 174.900 0.025 0.000 1.162 123 G CA 0.755 45.866 45.100 0.019 0.000 0.777 123 G HN 0.154 nan 8.290 nan 0.000 0.539 124 L N -0.112 121.139 121.223 0.047 0.000 1.978 124 L HA 0.066 4.407 4.340 0.001 0.000 0.218 124 L C 0.989 177.864 176.870 0.007 0.000 1.075 124 L CA 1.070 55.947 54.840 0.061 0.000 0.767 124 L CB -0.704 41.420 42.059 0.108 0.000 0.890 124 L HN 0.157 nan 8.230 nan 0.000 0.434 125 I N -0.314 120.254 120.570 -0.003 0.000 2.545 125 I HA 0.191 4.361 4.170 0.001 0.000 0.292 125 I C -0.156 175.954 176.117 -0.011 0.000 1.040 125 I CA -1.148 60.136 61.300 -0.027 0.000 1.068 125 I CB 1.329 39.305 38.000 -0.041 0.000 1.251 125 I HN 0.276 nan 8.210 nan 0.000 0.424 126 E N 5.192 125.381 120.200 -0.019 0.000 2.604 126 E HA -0.198 4.152 4.350 0.001 0.000 0.267 126 E C -0.364 176.234 176.600 -0.004 0.000 0.970 126 E CA 0.189 56.581 56.400 -0.012 0.000 0.956 126 E CB 0.354 30.045 29.700 -0.015 0.000 0.939 126 E HN 0.463 nan 8.360 nan 0.000 0.465 127 D N 1.755 122.149 120.400 -0.010 0.000 2.826 127 D HA 0.003 4.644 4.640 0.001 0.000 0.247 127 D C -0.880 175.411 176.300 -0.015 0.000 1.238 127 D CA 0.303 54.294 54.000 -0.014 0.000 0.894 127 D CB -0.286 40.499 40.800 -0.025 0.000 1.100 127 D HN 0.302 nan 8.370 nan 0.000 0.453 128 D N 0.109 120.508 120.400 -0.003 0.000 2.375 128 D HA 0.121 4.761 4.640 0.001 0.000 0.247 128 D C 1.092 177.398 176.300 0.011 0.000 1.061 128 D CA -0.620 53.380 54.000 -0.001 0.000 0.834 128 D CB 1.476 42.277 40.800 0.002 0.000 1.247 128 D HN -0.260 nan 8.370 nan 0.000 0.489 129 K N 1.636 122.038 120.400 0.003 0.000 1.988 129 K HA -0.136 4.184 4.320 0.001 0.000 0.221 129 K C 1.758 178.371 176.600 0.021 0.000 1.053 129 K CA 1.599 57.892 56.287 0.009 0.000 0.959 129 K CB -0.336 32.165 32.500 0.002 0.000 0.728 129 K HN 0.349 nan 8.250 nan 0.000 0.447 130 V N 1.980 121.906 119.914 0.021 0.000 2.313 130 V HA -0.298 3.822 4.120 0.001 0.000 0.253 130 V C 2.388 178.509 176.094 0.045 0.000 1.070 130 V CA 1.945 64.261 62.300 0.026 0.000 1.057 130 V CB -0.667 31.170 31.823 0.023 0.000 0.653 130 V HN 0.328 nan 8.190 nan 0.000 0.450 131 L N -0.053 121.204 121.223 0.056 0.000 1.937 131 L HA -0.145 4.196 4.340 0.001 0.000 0.213 131 L C 2.343 179.290 176.870 0.128 0.000 1.077 131 L CA 1.973 56.874 54.840 0.103 0.000 0.758 131 L CB -0.615 41.490 42.059 0.077 0.000 0.888 131 L HN 0.203 nan 8.230 nan 0.000 0.433 132 L N -0.099 121.179 121.223 0.092 0.000 2.085 132 L HA -0.340 4.000 4.340 0.001 0.000 0.218 132 L C 2.781 179.668 176.870 0.028 0.000 1.080 132 L CA 1.953 56.840 54.840 0.078 0.000 0.776 132 L CB -1.417 40.670 42.059 0.046 0.000 0.891 132 L HN 0.641 nan 8.230 nan 0.000 0.437 133 Q N 0.970 120.782 119.800 0.020 0.000 2.029 133 Q HA -0.308 4.032 4.340 0.001 0.000 0.209 133 Q C 2.032 177.995 176.000 -0.062 0.000 0.999 133 Q CA 2.400 58.202 55.803 -0.003 0.000 0.857 133 Q CB -0.401 28.349 28.738 0.020 0.000 0.926 133 Q HN 0.625 nan 8.270 nan 0.000 0.415 134 Q N 0.017 119.781 119.800 -0.059 0.000 2.014 134 Q HA -0.186 4.154 4.340 0.001 0.000 0.207 134 Q C 2.339 178.030 176.000 -0.514 0.000 0.993 134 Q CA 1.697 57.386 55.803 -0.191 0.000 0.850 134 Q CB -0.361 28.355 28.738 -0.037 0.000 0.916 134 Q HN 0.381 nan 8.270 nan 0.000 0.417 135 L N 1.092 122.016 121.223 -0.499 0.000 2.034 135 L HA -0.266 4.074 4.340 0.001 0.000 0.217 135 L C 1.953 178.528 176.870 -0.491 0.000 1.077 135 L CA 1.856 56.305 54.840 -0.651 0.000 0.769 135 L CB -0.630 41.510 42.059 0.134 0.000 0.890 135 L HN 0.270 nan 8.230 nan 0.000 0.435 136 I N -1.338 119.068 120.570 -0.273 0.000 2.113 136 I HA -0.283 3.887 4.170 0.001 0.000 0.238 136 I C 2.374 178.300 176.117 -0.319 0.000 1.070 136 I CA 1.412 62.572 61.300 -0.233 0.000 1.332 136 I CB -0.816 37.125 38.000 -0.099 0.000 1.044 136 I HN 0.223 nan 8.210 nan 0.000 0.402 137 S N 0.100 115.641 115.700 -0.265 0.000 2.354 137 S HA -0.272 4.199 4.470 0.001 0.000 0.219 137 S C 2.150 176.502 174.600 -0.414 0.000 1.035 137 S CA 2.279 60.334 58.200 -0.242 0.000 1.037 137 S CB -0.816 62.320 63.200 -0.107 0.000 0.956 137 S HN 0.510 nan 8.310 nan 0.000 0.428 138 T N 1.638 115.846 114.554 -0.576 0.000 2.822 138 T HA -0.060 4.290 4.350 0.001 0.000 0.270 138 T C 1.576 175.581 174.700 -1.158 0.000 1.064 138 T CA 1.073 62.645 62.100 -0.878 0.000 1.131 138 T CB -0.531 67.693 68.868 -1.072 0.000 0.858 138 T HN 0.295 nan 8.240 nan 0.000 0.483 139 I N 0.713 120.719 120.570 -0.940 0.000 2.193 139 I HA -0.097 4.073 4.170 0.001 0.000 0.240 139 I C 2.692 178.340 176.117 -0.783 0.000 1.084 139 I CA 1.390 62.092 61.300 -0.997 0.000 1.365 139 I CB -0.462 37.044 38.000 -0.822 0.000 1.064 139 I HN 0.321 nan 8.210 nan 0.000 0.410 140 S N 1.058 116.430 115.700 -0.547 0.000 2.528 140 S HA -0.174 4.297 4.470 0.001 0.000 0.244 140 S C 1.566 176.007 174.600 -0.264 0.000 0.982 140 S CA 1.447 59.440 58.200 -0.345 0.000 0.953 140 S CB -0.433 62.630 63.200 -0.227 0.000 0.754 140 S HN 0.384 nan 8.310 nan 0.000 0.529 141 N N 0.699 119.192 118.700 -0.344 0.000 2.258 141 N HA 0.099 4.839 4.740 0.001 0.000 0.183 141 N C 1.157 176.662 175.510 -0.009 0.000 1.029 141 N CA 1.178 54.104 53.050 -0.208 0.000 0.857 141 N CB -0.625 37.679 38.487 -0.305 0.000 1.008 141 N HN 0.484 nan 8.380 nan 0.000 0.433 142 W N 2.329 123.535 121.300 -0.156 0.000 2.374 142 W HA 0.033 4.694 4.660 0.001 0.000 0.288 142 W C 1.951 178.457 176.519 -0.023 0.000 1.218 142 W CA 0.521 57.836 57.345 -0.050 0.000 1.245 142 W CB -0.654 28.817 29.460 0.018 0.000 1.126 142 W HN 0.183 nan 8.180 nan 0.000 0.545 143 K N -0.095 120.351 120.400 0.077 0.000 2.025 143 K HA -0.119 4.202 4.320 0.001 0.000 0.207 143 K C 1.447 178.070 176.600 0.038 0.000 1.049 143 K CA 1.191 57.509 56.287 0.053 0.000 0.933 143 K CB -0.456 32.009 32.500 -0.058 0.000 0.714 143 K HN 0.019 nan 8.250 nan 0.000 0.438 144 N N 1.370 120.072 118.700 0.002 0.000 2.571 144 N HA -0.108 4.632 4.740 0.001 0.000 0.189 144 N C 0.271 175.797 175.510 0.026 0.000 1.154 144 N CA 0.772 53.818 53.050 -0.007 0.000 0.907 144 N CB 0.144 38.610 38.487 -0.036 0.000 0.977 144 N HN 0.218 nan 8.380 nan 0.000 0.449 145 D N 0.876 121.321 120.400 0.075 0.000 2.615 145 D HA 0.067 4.707 4.640 0.001 0.000 0.236 145 D C 0.764 177.109 176.300 0.075 0.000 1.233 145 D CA -0.207 53.847 54.000 0.090 0.000 0.829 145 D CB -0.101 40.799 40.800 0.167 0.000 1.024 145 D HN 0.037 nan 8.370 nan 0.000 0.490 146 L N -0.215 121.040 121.223 0.054 0.000 4.290 146 L HA -0.203 4.137 4.340 0.001 0.000 0.486 146 L C 0.740 177.648 176.870 0.063 0.000 1.070 146 L CA 1.806 56.674 54.840 0.046 0.000 0.688 146 L CB -2.985 39.084 42.059 0.016 0.000 1.627 146 L HN 0.427 nan 8.230 nan 0.000 0.782 147 K N -0.731 119.736 120.400 0.112 0.000 2.245 147 K HA 1.057 5.378 4.320 0.001 0.000 0.234 147 K C 0.495 177.180 176.600 0.142 0.000 1.021 147 K CA 0.305 56.659 56.287 0.113 0.000 0.898 147 K CB 0.695 33.268 32.500 0.121 0.000 1.163 147 K HN 2.357 nan 8.250 nan 0.000 0.459 148 T N -0.943 113.648 114.554 0.062 0.000 2.912 148 T HA 0.711 5.061 4.350 0.001 0.000 0.288 148 T C -0.915 173.678 174.700 -0.178 0.000 1.030 148 T CA -0.858 61.236 62.100 -0.011 0.000 1.020 148 T CB 1.338 70.188 68.868 -0.030 0.000 1.056 148 T HN 0.500 nan 8.240 nan 0.000 0.480 149 P HA 0.134 nan 4.420 nan 0.000 0.240 149 P C 1.329 178.417 177.300 -0.354 0.000 1.186 149 P CA 1.914 64.534 63.100 -0.801 0.000 0.755 149 P CB -0.103 31.183 31.700 -0.690 0.000 0.870 150 S N -2.950 112.625 115.700 -0.207 0.000 2.807 150 S HA 0.117 4.588 4.470 0.001 0.000 0.247 150 S C 2.706 177.235 174.600 -0.118 0.000 1.078 150 S CA 1.009 59.138 58.200 -0.120 0.000 0.867 150 S CB -0.266 62.888 63.200 -0.078 0.000 0.797 150 S HN 0.505 nan 8.310 nan 0.000 0.515 151 Q N 0.887 120.619 119.800 -0.113 0.000 2.234 151 Q HA 0.178 4.518 4.340 0.001 0.000 0.206 151 Q C 2.002 177.898 176.000 -0.174 0.000 0.980 151 Q CA 1.760 57.499 55.803 -0.107 0.000 0.869 151 Q CB -1.056 27.641 28.738 -0.069 0.000 0.912 151 Q HN 0.629 nan 8.270 nan 0.000 0.436 152 A N -0.188 122.502 122.820 -0.218 0.000 2.123 152 A HA 0.536 4.857 4.320 0.001 0.000 0.214 152 A C 2.479 179.790 177.584 -0.455 0.000 1.152 152 A CA 1.228 53.002 52.037 -0.437 0.000 0.728 152 A CB -0.207 18.689 19.000 -0.173 0.000 0.814 152 A HN 0.987 nan 8.150 nan 0.000 0.464 153 A N -0.418 122.273 122.820 -0.217 0.000 2.123 153 A HA 0.442 4.762 4.320 0.001 0.000 0.214 153 A C 2.201 179.714 177.584 -0.119 0.000 1.152 153 A CA 1.296 53.264 52.037 -0.116 0.000 0.728 153 A CB -0.500 18.476 19.000 -0.041 0.000 0.814 153 A HN 0.711 nan 8.150 nan 0.000 0.464 154 A N 0.087 122.818 122.820 -0.148 0.000 1.826 154 A HA 0.329 4.649 4.320 0.001 0.000 0.214 154 A C 1.974 179.474 177.584 -0.141 0.000 1.212 154 A CA 1.420 53.388 52.037 -0.115 0.000 0.605 154 A CB -1.207 17.729 19.000 -0.107 0.000 0.861 154 A HN 0.958 nan 8.150 nan 0.000 0.447 155 S N -0.208 115.363 115.700 -0.216 0.000 3.864 155 S HA 0.543 5.014 4.470 0.001 0.000 0.202 155 S C 0.240 174.650 174.600 -0.316 0.000 1.402 155 S CA 0.355 58.416 58.200 -0.232 0.000 1.072 155 S CB -1.098 61.943 63.200 -0.265 0.000 1.383 155 S HN 1.365 nan 8.310 nan 0.000 0.458 156 A N 0.999 123.712 122.820 -0.178 0.000 2.702 156 A HA 0.681 5.001 4.320 0.001 0.000 0.305 156 A C -0.134 177.471 177.584 0.035 0.000 1.213 156 A CA -0.130 51.862 52.037 -0.075 0.000 0.745 156 A CB -0.080 18.870 19.000 -0.083 0.000 1.161 156 A HN 1.421 nan 8.150 nan 0.000 0.445 157 I N 0.853 121.469 120.570 0.076 0.000 2.328 157 I HA 0.882 5.052 4.170 0.001 0.000 0.287 157 I C 0.586 176.768 176.117 0.109 0.000 1.012 157 I CA 0.121 61.467 61.300 0.076 0.000 1.195 157 I CB 0.500 38.536 38.000 0.060 0.000 1.350 157 I HN 1.985 nan 8.210 nan 0.000 0.464 158 G N 3.388 112.243 108.800 0.092 0.000 2.435 158 G HA2 0.237 4.198 3.960 0.001 0.000 0.603 158 G HA3 0.237 4.198 3.960 0.001 0.000 0.603 158 G C 0.068 175.017 174.900 0.081 0.000 1.496 158 G CA 0.107 45.261 45.100 0.090 0.000 0.896 158 G HN 1.654 nan 8.290 nan 0.000 0.657 159 E N 1.132 121.361 120.200 0.047 0.000 2.002 159 E HA -0.275 4.075 4.350 0.001 0.000 0.213 159 E C 2.149 178.752 176.600 0.006 0.000 1.024 159 E CA 1.799 58.213 56.400 0.025 0.000 0.876 159 E CB -0.256 29.446 29.700 0.004 0.000 0.799 159 E HN 0.519 nan 8.360 nan 0.000 0.497 160 R N 1.402 121.867 120.500 -0.059 0.000 2.316 160 R HA -0.110 4.230 4.340 0.001 0.000 0.232 160 R C 1.389 177.563 176.300 -0.210 0.000 1.137 160 R CA 1.867 57.834 56.100 -0.222 0.000 1.012 160 R CB -0.856 29.230 30.300 -0.356 0.000 0.859 160 R HN 0.482 nan 8.270 nan 0.000 0.474 161 D N 0.538 120.992 120.400 0.091 0.000 2.137 161 D HA -0.018 4.622 4.640 0.001 0.000 0.202 161 D C 1.679 178.193 176.300 0.357 0.000 0.970 161 D CA 0.891 55.114 54.000 0.372 0.000 0.837 161 D CB -0.090 40.928 40.800 0.364 0.000 0.981 161 D HN 0.192 nan 8.370 nan 0.000 0.475 162 R N 0.450 121.073 120.500 0.205 0.000 2.127 162 R HA -0.059 4.282 4.340 0.001 0.000 0.238 162 R C 2.139 178.570 176.300 0.219 0.000 1.134 162 R CA 0.788 56.995 56.100 0.177 0.000 0.975 162 R CB -0.388 29.976 30.300 0.107 0.000 0.865 162 R HN 0.278 nan 8.270 nan 0.000 0.447 163 I N -0.106 120.562 120.570 0.163 0.000 2.110 163 I HA -0.243 3.927 4.170 0.001 0.000 0.236 163 I C 1.836 178.045 176.117 0.154 0.000 1.068 163 I CA 1.151 62.539 61.300 0.146 0.000 1.333 163 I CB -0.359 37.611 38.000 -0.050 0.000 1.054 163 I HN -0.019 nan 8.210 nan 0.000 0.402 164 F N 1.467 121.498 119.950 0.134 0.000 2.176 164 F HA -0.317 4.210 4.527 0.001 0.000 0.301 164 F C 2.562 178.547 175.800 0.309 0.000 1.071 164 F CA 1.272 59.347 58.000 0.125 0.000 1.289 164 F CB -1.215 37.836 39.000 0.085 0.000 1.028 164 F HN 0.074 nan 8.300 nan 0.000 0.494 165 A N -0.277 122.931 122.820 0.647 0.000 1.845 165 A HA -0.253 4.067 4.320 0.001 0.000 0.215 165 A C 2.086 179.897 177.584 0.378 0.000 1.195 165 A CA 1.985 54.390 52.037 0.613 0.000 0.616 165 A CB -1.321 17.894 19.000 0.358 0.000 0.832 165 A HN 0.547 nan 8.150 nan 0.000 0.443 166 H N -0.096 119.116 119.070 0.238 0.000 2.290 166 H HA -0.181 4.375 4.556 0.001 0.000 0.298 166 H C 1.899 177.345 175.328 0.198 0.000 1.087 166 H CA 2.102 58.243 56.048 0.154 0.000 1.291 166 H CB -1.329 28.498 29.762 0.109 0.000 1.369 166 H HN 0.376 nan 8.280 nan 0.000 0.492 167 C N 0.594 119.588 119.300 -0.511 0.000 2.376 167 C HA -0.215 4.246 4.460 0.001 0.000 0.275 167 C C 2.575 177.660 174.990 0.159 0.000 1.200 167 C CA 1.270 60.111 59.018 -0.296 0.000 1.756 167 C CB -1.716 25.969 27.740 -0.091 0.000 2.050 167 C HN 0.727 nan 8.230 nan 0.000 0.460 168 Y N 2.722 123.091 120.300 0.115 0.000 2.069 168 Y HA -0.159 4.391 4.550 0.001 0.000 0.278 168 Y C 2.419 178.444 175.900 0.209 0.000 1.175 168 Y CA 1.523 59.725 58.100 0.170 0.000 1.134 168 Y CB -1.350 37.262 38.460 0.254 0.000 0.965 168 Y HN 0.296 nan 8.280 nan 0.000 0.498 169 G N 0.764 109.662 108.800 0.164 0.000 2.529 169 G HA2 -0.317 3.644 3.960 0.001 0.000 0.219 169 G HA3 -0.317 3.644 3.960 0.001 0.000 0.219 169 G C 1.669 176.674 174.900 0.176 0.000 1.177 169 G CA 1.227 46.368 45.100 0.067 0.000 0.773 169 G HN 0.458 nan 8.290 nan 0.000 0.573 170 L N -0.591 120.769 121.223 0.229 0.000 2.201 170 L HA 0.112 4.452 4.340 0.001 0.000 0.212 170 L C 2.325 179.339 176.870 0.240 0.000 1.105 170 L CA 1.023 56.000 54.840 0.227 0.000 0.775 170 L CB -0.887 41.301 42.059 0.216 0.000 0.913 170 L HN 0.390 nan 8.230 nan 0.000 0.440 171 Y N 1.281 121.680 120.300 0.165 0.000 2.060 171 Y HA -0.265 4.285 4.550 0.001 0.000 0.276 171 Y C 2.349 178.333 175.900 0.140 0.000 1.127 171 Y CA 2.264 60.454 58.100 0.151 0.000 1.104 171 Y CB -0.617 37.948 38.460 0.174 0.000 0.983 171 Y HN 0.493 nan 8.280 nan 0.000 0.483 172 D N 0.636 121.387 120.400 0.586 0.000 2.182 172 D HA -0.240 4.400 4.640 0.001 0.000 0.201 172 D C 2.192 178.576 176.300 0.140 0.000 0.986 172 D CA 1.271 55.489 54.000 0.364 0.000 0.847 172 D CB -0.788 40.207 40.800 0.324 0.000 0.942 172 D HN 0.504 nan 8.370 nan 0.000 0.467 173 A N 1.867 124.774 122.820 0.146 0.000 1.842 173 A HA -0.270 4.050 4.320 0.001 0.000 0.217 173 A C 2.210 179.821 177.584 0.044 0.000 1.206 173 A CA 1.737 53.829 52.037 0.092 0.000 0.630 173 A CB -1.301 17.779 19.000 0.133 0.000 0.839 173 A HN 0.322 nan 8.150 nan 0.000 0.447 174 H N -1.402 117.632 119.070 -0.061 0.000 2.387 174 H HA -0.107 4.450 4.556 0.001 0.000 0.299 174 H C 2.147 177.360 175.328 -0.192 0.000 1.099 174 H CA 1.842 57.823 56.048 -0.112 0.000 1.315 174 H CB -0.051 29.637 29.762 -0.125 0.000 1.380 174 H HN 0.343 nan 8.280 nan 0.000 0.513 175 L N 1.289 122.408 121.223 -0.172 0.000 2.005 175 L HA -0.189 4.151 4.340 0.001 0.000 0.207 175 L C 2.691 179.467 176.870 -0.158 0.000 1.072 175 L CA 1.673 56.332 54.840 -0.301 0.000 0.744 175 L CB -0.297 41.526 42.059 -0.395 0.000 0.895 175 L HN 0.273 nan 8.230 nan 0.000 0.433 176 K N -0.425 119.934 120.400 -0.068 0.000 2.074 176 K HA -0.193 4.128 4.320 0.001 0.000 0.209 176 K C 1.860 178.445 176.600 -0.026 0.000 1.048 176 K CA 1.551 57.825 56.287 -0.021 0.000 0.926 176 K CB -0.754 31.752 32.500 0.010 0.000 0.713 176 K HN 0.244 nan 8.250 nan 0.000 0.444 177 A N 1.923 124.710 122.820 -0.054 0.000 1.881 177 A HA -0.140 4.180 4.320 0.001 0.000 0.208 177 A C 2.450 179.995 177.584 -0.065 0.000 1.264 177 A CA 1.524 53.519 52.037 -0.069 0.000 0.629 177 A CB -1.327 17.596 19.000 -0.128 0.000 0.906 177 A HN 0.602 nan 8.150 nan 0.000 0.476 178 C N -0.667 118.577 119.300 -0.092 0.000 2.380 178 C HA -0.065 4.395 4.460 0.001 0.000 0.302 178 C C 1.201 176.169 174.990 -0.037 0.000 1.361 178 C CA 1.249 60.229 59.018 -0.063 0.000 1.819 178 C CB -2.422 25.285 27.740 -0.056 0.000 1.868 178 C HN 0.841 nan 8.230 nan 0.000 0.547 179 N N -1.071 117.611 118.700 -0.030 0.000 2.688 179 N HA -0.121 4.619 4.740 0.001 0.000 0.261 179 N C -0.820 174.750 175.510 0.099 0.000 1.116 179 N CA 0.788 53.875 53.050 0.062 0.000 0.689 179 N CB -0.839 37.699 38.487 0.085 0.000 0.882 179 N HN 0.601 nan 8.380 nan 0.000 0.554 180 V N -1.679 118.189 119.914 -0.077 0.000 3.216 180 V HA 0.922 5.042 4.120 0.001 0.000 0.302 180 V C -0.982 174.920 176.094 -0.319 0.000 1.286 180 V CA -1.148 61.050 62.300 -0.170 0.000 1.048 180 V CB 2.139 33.752 31.823 -0.350 0.000 1.081 180 V HN 0.346 nan 8.190 nan 0.000 0.442 181 L N 0.068 121.114 121.223 -0.296 0.000 2.482 181 L HA 0.851 5.191 4.340 0.001 0.000 0.263 181 L C -0.500 176.293 176.870 -0.129 0.000 0.957 181 L CA -0.961 53.738 54.840 -0.235 0.000 0.836 181 L CB 0.627 42.513 42.059 -0.289 0.000 1.324 181 L HN 0.919 nan 8.230 nan 0.000 0.406 182 D N 0.739 121.127 120.400 -0.019 0.000 2.393 182 D HA 0.154 4.795 4.640 0.001 0.000 0.246 182 D C 0.957 177.249 176.300 -0.013 0.000 1.275 182 D CA -0.103 53.899 54.000 0.003 0.000 0.979 182 D CB 0.368 41.275 40.800 0.179 0.000 1.101 182 D HN 0.346 nan 8.370 nan 0.000 0.505 183 F N 0.582 120.558 119.950 0.042 0.000 2.010 183 F HA -0.157 4.371 4.527 0.001 0.000 0.296 183 F C 2.250 178.130 175.800 0.134 0.000 1.146 183 F CA 1.990 59.992 58.000 0.004 0.000 1.181 183 F CB -1.239 37.663 39.000 -0.162 0.000 0.965 183 F HN 0.398 nan 8.300 nan 0.000 0.480 184 D N -0.383 120.230 120.400 0.355 0.000 2.254 184 D HA -0.233 4.408 4.640 0.001 0.000 0.201 184 D C 1.488 177.840 176.300 0.086 0.000 0.998 184 D CA 1.522 55.637 54.000 0.191 0.000 0.885 184 D CB -1.109 39.734 40.800 0.072 0.000 0.915 184 D HN 0.251 nan 8.370 nan 0.000 0.460 185 D N -0.265 120.186 120.400 0.084 0.000 2.123 185 D HA -0.091 4.549 4.640 0.001 0.000 0.196 185 D C 1.852 178.153 176.300 0.002 0.000 0.992 185 D CA 0.473 54.484 54.000 0.018 0.000 0.833 185 D CB -0.249 40.539 40.800 -0.020 0.000 0.954 185 D HN 0.154 nan 8.370 nan 0.000 0.455 186 L N 0.307 121.566 121.223 0.061 0.000 2.261 186 L HA -0.158 4.182 4.340 0.001 0.000 0.216 186 L C 1.923 178.771 176.870 -0.036 0.000 1.114 186 L CA 0.872 55.737 54.840 0.042 0.000 0.777 186 L CB -0.330 41.832 42.059 0.172 0.000 0.910 186 L HN 0.165 nan 8.230 nan 0.000 0.440 187 I N -0.861 119.655 120.570 -0.090 0.000 2.499 187 I HA -0.064 4.106 4.170 0.001 0.000 0.243 187 I C 1.938 177.974 176.117 -0.136 0.000 1.085 187 I CA 0.650 61.828 61.300 -0.203 0.000 1.422 187 I CB -1.251 36.532 38.000 -0.361 0.000 1.165 187 I HN 0.220 nan 8.210 nan 0.000 0.440 188 L N -0.373 120.793 121.223 -0.095 0.000 2.784 188 L HA 0.010 4.350 4.340 0.001 0.000 0.247 188 L C 1.656 178.508 176.870 -0.029 0.000 1.162 188 L CA 1.342 56.147 54.840 -0.058 0.000 0.881 188 L CB -1.161 40.879 42.059 -0.032 0.000 1.032 188 L HN 0.109 nan 8.230 nan 0.000 0.446 189 L N 0.620 121.824 121.223 -0.031 0.000 2.255 189 L HA 0.233 4.573 4.340 0.001 0.000 0.196 189 L C -0.294 176.587 176.870 0.019 0.000 1.202 189 L CA 0.974 55.813 54.840 -0.001 0.000 0.819 189 L CB -1.491 40.559 42.059 -0.016 0.000 1.006 189 L HN 0.186 nan 8.230 nan 0.000 0.480 190 P HA -0.127 nan 4.420 nan 0.000 0.217 190 P C 1.586 178.890 177.300 0.006 0.000 1.148 190 P CA 1.590 64.710 63.100 0.032 0.000 0.828 190 P CB 0.001 31.693 31.700 -0.013 0.000 0.783 191 T N -0.309 114.222 114.554 -0.038 0.000 2.536 191 T HA -0.216 4.134 4.350 0.001 0.000 0.263 191 T C 1.633 176.330 174.700 -0.004 0.000 1.115 191 T CA 1.573 63.648 62.100 -0.042 0.000 1.180 191 T CB -1.014 67.811 68.868 -0.073 0.000 0.864 191 T HN -0.044 nan 8.240 nan 0.000 0.419 192 L N 0.740 121.965 121.223 0.004 0.000 1.943 192 L HA -0.078 4.262 4.340 0.001 0.000 0.215 192 L C 2.437 179.330 176.870 0.038 0.000 1.074 192 L CA 1.631 56.483 54.840 0.020 0.000 0.759 192 L CB -1.027 41.047 42.059 0.025 0.000 0.888 192 L HN 0.346 nan 8.230 nan 0.000 0.433 193 L N -1.297 119.960 121.223 0.057 0.000 2.211 193 L HA -0.243 4.097 4.340 0.001 0.000 0.216 193 L C 1.994 178.914 176.870 0.083 0.000 1.092 193 L CA 1.903 56.789 54.840 0.077 0.000 0.767 193 L CB -0.529 41.598 42.059 0.114 0.000 0.894 193 L HN 0.192 nan 8.230 nan 0.000 0.437 194 L N -0.987 120.284 121.223 0.081 0.000 2.354 194 L HA 0.030 4.371 4.340 0.001 0.000 0.212 194 L C 2.579 179.491 176.870 0.070 0.000 1.091 194 L CA 1.441 56.341 54.840 0.100 0.000 0.828 194 L CB -0.621 41.507 42.059 0.115 0.000 0.973 194 L HN 0.551 nan 8.230 nan 0.000 0.461 195 Q N 0.375 120.202 119.800 0.044 0.000 1.969 195 Q HA -0.176 4.165 4.340 0.001 0.000 0.198 195 Q C 2.216 178.233 176.000 0.029 0.000 0.978 195 Q CA 1.689 57.510 55.803 0.030 0.000 0.830 195 Q CB -0.234 28.513 28.738 0.014 0.000 0.896 195 Q HN 0.362 nan 8.270 nan 0.000 0.431 196 A N 1.638 124.474 122.820 0.027 0.000 2.042 196 A HA -0.171 4.149 4.320 0.001 0.000 0.222 196 A C 1.110 178.709 177.584 0.024 0.000 1.167 196 A CA 1.477 53.527 52.037 0.023 0.000 0.649 196 A CB -0.491 18.523 19.000 0.023 0.000 0.809 196 A HN 0.602 nan 8.150 nan 0.000 0.457 197 N N -0.989 117.732 118.700 0.034 0.000 2.354 197 N HA 0.150 4.891 4.740 0.001 0.000 0.287 197 N C 0.135 175.669 175.510 0.040 0.000 1.016 197 N CA -0.087 52.982 53.050 0.032 0.000 0.871 197 N CB 1.804 40.310 38.487 0.031 0.000 1.299 197 N HN 0.357 nan 8.380 nan 0.000 0.482 198 E N 2.579 122.796 120.200 0.029 0.000 2.076 198 E HA -0.136 4.214 4.350 0.001 0.000 0.190 198 E C 1.159 177.776 176.600 0.029 0.000 0.979 198 E CA 0.513 56.933 56.400 0.033 0.000 0.807 198 E CB 0.064 29.777 29.700 0.022 0.000 0.761 198 E HN 0.766 nan 8.360 nan 0.000 0.454 199 E N 0.427 120.635 120.200 0.015 0.000 2.113 199 E HA -0.259 4.091 4.350 0.001 0.000 0.210 199 E C 1.983 178.580 176.600 -0.006 0.000 1.040 199 E CA 2.144 58.543 56.400 -0.001 0.000 0.847 199 E CB -0.040 29.655 29.700 -0.010 0.000 0.755 199 E HN 0.215 nan 8.360 nan 0.000 0.459 200 V N 0.690 120.613 119.914 0.015 0.000 2.283 200 V HA -0.189 3.931 4.120 0.001 0.000 0.243 200 V C 2.708 178.855 176.094 0.089 0.000 1.039 200 V CA 1.889 64.203 62.300 0.022 0.000 1.016 200 V CB -0.724 31.153 31.823 0.091 0.000 0.650 200 V HN 0.282 nan 8.190 nan 0.000 0.449 201 R N 0.310 120.892 120.500 0.135 0.000 2.168 201 R HA -0.286 4.054 4.340 0.001 0.000 0.242 201 R C 2.544 178.943 176.300 0.164 0.000 1.123 201 R CA 2.360 58.564 56.100 0.174 0.000 0.928 201 R CB -0.378 29.990 30.300 0.112 0.000 0.873 201 R HN 0.237 nan 8.270 nan 0.000 0.434 202 K N 0.644 121.098 120.400 0.090 0.000 2.063 202 K HA -0.200 4.120 4.320 0.001 0.000 0.208 202 K C 2.084 178.717 176.600 0.054 0.000 1.048 202 K CA 1.823 58.152 56.287 0.071 0.000 0.928 202 K CB -0.369 32.152 32.500 0.034 0.000 0.713 202 K HN 0.227 nan 8.250 nan 0.000 0.442 203 R N -0.861 119.629 120.500 -0.018 0.000 2.117 203 R HA -0.183 4.158 4.340 0.001 0.000 0.243 203 R C 2.241 178.480 176.300 -0.101 0.000 1.143 203 R CA 2.089 58.114 56.100 -0.125 0.000 0.968 203 R CB -0.369 29.771 30.300 -0.267 0.000 0.863 203 R HN 0.311 nan 8.270 nan 0.000 0.444 204 W N 0.274 121.607 121.300 0.054 0.000 2.407 204 W HA -0.091 4.569 4.660 0.001 0.000 0.305 204 W C 2.440 179.002 176.519 0.072 0.000 1.196 204 W CA 0.235 57.620 57.345 0.067 0.000 1.311 204 W CB -0.184 29.314 29.460 0.064 0.000 1.135 204 W HN 0.168 nan 8.180 nan 0.000 0.514 205 Q N 0.234 120.231 119.800 0.328 0.000 2.325 205 Q HA -0.254 4.086 4.340 0.001 0.000 0.211 205 Q C 1.388 177.487 176.000 0.165 0.000 0.988 205 Q CA 1.691 57.621 55.803 0.211 0.000 0.887 205 Q CB -0.417 28.409 28.738 0.148 0.000 0.915 205 Q HN 0.294 nan 8.270 nan 0.000 0.440 206 N N -1.319 117.467 118.700 0.144 0.000 2.220 206 N HA 0.003 4.744 4.740 0.001 0.000 0.195 206 N C 1.115 176.702 175.510 0.129 0.000 1.123 206 N CA -0.006 53.090 53.050 0.078 0.000 0.874 206 N CB 0.246 38.742 38.487 0.016 0.000 0.995 206 N HN -0.101 nan 8.380 nan 0.000 0.498 207 K N 0.593 121.139 120.400 0.242 0.000 2.029 207 K HA 0.165 4.486 4.320 0.001 0.000 0.205 207 K C 0.211 177.045 176.600 0.390 0.000 1.042 207 K CA 0.561 57.053 56.287 0.343 0.000 0.949 207 K CB -0.113 32.669 32.500 0.471 0.000 0.740 207 K HN 0.172 nan 8.250 nan 0.000 0.442 208 I N 3.732 124.528 120.570 0.377 0.000 2.268 208 I HA -0.020 4.150 4.170 0.001 0.000 0.298 208 I C 1.257 177.534 176.117 0.266 0.000 1.185 208 I CA -0.171 61.309 61.300 0.300 0.000 1.548 208 I CB 0.312 38.456 38.000 0.240 0.000 1.492 208 I HN 0.110 nan 8.210 nan 0.000 0.711 209 R N 3.489 124.172 120.500 0.306 0.000 2.057 209 R HA -0.073 4.267 4.340 0.001 0.000 0.229 209 R C 0.080 176.628 176.300 0.414 0.000 1.136 209 R CA 1.286 57.562 56.100 0.294 0.000 0.952 209 R CB -0.237 30.188 30.300 0.208 0.000 0.848 209 R HN 0.369 nan 8.270 nan 0.000 0.430 210 Y N 0.318 120.835 120.300 0.361 0.000 2.376 210 Y HA 0.449 5.000 4.550 0.001 0.000 0.340 210 Y C -1.140 174.817 175.900 0.096 0.000 0.965 210 Y CA -1.892 56.304 58.100 0.160 0.000 1.078 210 Y CB 1.262 39.629 38.460 -0.155 0.000 1.193 210 Y HN -0.075 nan 8.280 nan 0.000 0.452 211 L N 6.296 127.641 121.223 0.203 0.000 2.365 211 L HA 0.755 5.096 4.340 0.001 0.000 0.273 211 L C -2.140 174.850 176.870 0.200 0.000 1.000 211 L CA -0.582 54.370 54.840 0.187 0.000 0.819 211 L CB 1.405 43.492 42.059 0.046 0.000 1.284 211 L HN 0.558 nan 8.230 nan 0.000 0.418 212 L N 5.335 126.648 121.223 0.151 0.000 2.354 212 L HA 0.782 5.122 4.340 0.001 0.000 0.269 212 L C -0.848 176.005 176.870 -0.028 0.000 1.005 212 L CA -0.612 54.279 54.840 0.086 0.000 0.819 212 L CB 2.156 44.258 42.059 0.073 0.000 1.311 212 L HN 0.335 nan 8.230 nan 0.000 0.423 213 V N 1.221 121.092 119.914 -0.071 0.000 2.567 213 V HA 0.373 4.493 4.120 0.001 0.000 0.298 213 V C -0.843 175.222 176.094 -0.047 0.000 1.047 213 V CA -0.654 61.599 62.300 -0.079 0.000 0.880 213 V CB 1.855 33.633 31.823 -0.075 0.000 1.009 213 V HN 0.733 nan 8.190 nan 0.000 0.429 214 D N 2.650 123.016 120.400 -0.056 0.000 2.387 214 D HA 0.381 5.021 4.640 0.001 0.000 0.251 214 D C 0.626 176.858 176.300 -0.114 0.000 1.141 214 D CA 0.003 53.959 54.000 -0.073 0.000 0.987 214 D CB 1.238 41.986 40.800 -0.088 0.000 1.116 214 D HN 0.639 nan 8.370 nan 0.000 0.491 215 E N 0.022 120.107 120.200 -0.191 0.000 2.440 215 E HA -0.289 4.061 4.350 0.001 0.000 0.246 215 E C 0.157 176.538 176.600 -0.364 0.000 1.165 215 E CA 0.312 56.489 56.400 -0.372 0.000 0.726 215 E CB -2.006 27.261 29.700 -0.721 0.000 1.271 215 E HN 0.516 nan 8.360 nan 0.000 0.397 216 Y N 0.870 121.045 120.300 -0.209 0.000 2.384 216 Y HA -0.242 4.308 4.550 0.001 0.000 0.289 216 Y C 2.207 178.055 175.900 -0.087 0.000 1.152 216 Y CA 2.135 60.170 58.100 -0.108 0.000 1.258 216 Y CB 0.193 38.577 38.460 -0.126 0.000 0.979 216 Y HN 0.375 nan 8.280 nan 0.000 0.549 217 Q N -0.789 118.879 119.800 -0.221 0.000 2.488 217 Q HA -0.124 4.216 4.340 0.001 0.000 0.211 217 Q C 0.456 176.322 176.000 -0.223 0.000 0.967 217 Q CA 1.433 57.109 55.803 -0.213 0.000 0.926 217 Q CB -0.292 28.383 28.738 -0.105 0.000 0.992 217 Q HN 0.478 nan 8.270 nan 0.000 0.506 218 D N 0.933 121.169 120.400 -0.274 0.000 2.355 218 D HA 0.035 4.675 4.640 0.001 0.000 0.206 218 D C -0.021 176.350 176.300 0.119 0.000 1.010 218 D CA 0.252 54.169 54.000 -0.138 0.000 0.875 218 D CB 0.020 40.582 40.800 -0.397 0.000 0.966 218 D HN 0.118 nan 8.370 nan 0.000 0.512 219 T N 2.540 117.155 114.554 0.103 0.000 2.872 219 T HA -0.059 4.291 4.350 0.001 0.000 0.292 219 T C 0.545 175.251 174.700 0.009 0.000 1.036 219 T CA 0.487 62.650 62.100 0.105 0.000 1.136 219 T CB 0.008 68.639 68.868 -0.394 0.000 1.052 219 T HN 0.286 nan 8.240 nan 0.000 0.512 220 N N 1.786 120.496 118.700 0.016 0.000 2.525 220 N HA 0.280 5.020 4.740 0.001 0.000 0.288 220 N C 1.072 176.603 175.510 0.035 0.000 1.242 220 N CA -0.839 52.212 53.050 0.001 0.000 0.905 220 N CB 0.935 39.395 38.487 -0.044 0.000 1.258 220 N HN 0.388 nan 8.380 nan 0.000 0.551 221 T N 0.512 115.092 114.554 0.043 0.000 2.516 221 T HA -0.300 4.050 4.350 0.001 0.000 0.261 221 T C 1.901 176.604 174.700 0.005 0.000 1.130 221 T CA 2.249 64.380 62.100 0.051 0.000 1.193 221 T CB -0.936 67.937 68.868 0.009 0.000 0.864 221 T HN 0.704 nan 8.240 nan 0.000 0.410 222 S N 1.417 117.076 115.700 -0.068 0.000 2.393 222 S HA -0.328 4.143 4.470 0.001 0.000 0.235 222 S C 2.238 176.710 174.600 -0.213 0.000 1.061 222 S CA 2.300 60.421 58.200 -0.133 0.000 1.129 222 S CB -0.680 62.421 63.200 -0.166 0.000 1.011 222 S HN 0.650 nan 8.310 nan 0.000 0.436 223 Q N -0.642 118.948 119.800 -0.351 0.000 2.030 223 Q HA -0.195 4.146 4.340 0.001 0.000 0.204 223 Q C 2.000 177.878 176.000 -0.204 0.000 0.986 223 Q CA 1.726 57.140 55.803 -0.649 0.000 0.843 223 Q CB -1.041 27.104 28.738 -0.990 0.000 0.904 223 Q HN 0.729 nan 8.270 nan 0.000 0.420 224 Y N 2.208 122.426 120.300 -0.137 0.000 2.002 224 Y HA -0.318 4.232 4.550 0.001 0.000 0.268 224 Y C 2.230 178.140 175.900 0.016 0.000 1.177 224 Y CA 2.175 60.297 58.100 0.037 0.000 1.111 224 Y CB -0.599 37.904 38.460 0.071 0.000 0.952 224 Y HN 0.150 nan 8.280 nan 0.000 0.491 225 E N 0.099 120.398 120.200 0.165 0.000 2.023 225 E HA -0.216 4.134 4.350 0.001 0.000 0.196 225 E C 2.485 179.110 176.600 0.042 0.000 1.003 225 E CA 1.354 57.775 56.400 0.034 0.000 0.809 225 E CB -0.835 28.833 29.700 -0.053 0.000 0.755 225 E HN 0.490 nan 8.360 nan 0.000 0.449 226 L N 0.581 121.777 121.223 -0.046 0.000 2.064 226 L HA -0.272 4.068 4.340 0.001 0.000 0.216 226 L C 2.012 178.869 176.870 -0.022 0.000 1.077 226 L CA 1.685 56.473 54.840 -0.087 0.000 0.766 226 L CB -0.426 41.496 42.059 -0.227 0.000 0.890 226 L HN 0.133 nan 8.230 nan 0.000 0.435 227 V N -0.203 119.732 119.914 0.035 0.000 2.237 227 V HA -0.308 3.813 4.120 0.001 0.000 0.245 227 V C 2.510 178.694 176.094 0.150 0.000 1.046 227 V CA 2.121 64.472 62.300 0.086 0.000 1.007 227 V CB -0.763 31.121 31.823 0.102 0.000 0.638 227 V HN 0.394 nan 8.190 nan 0.000 0.445 228 K N -0.208 120.345 120.400 0.256 0.000 2.015 228 K HA -0.249 4.071 4.320 0.001 0.000 0.216 228 K C 2.070 178.780 176.600 0.182 0.000 1.052 228 K CA 1.940 58.405 56.287 0.296 0.000 0.937 228 K CB -0.591 32.041 32.500 0.220 0.000 0.719 228 K HN 0.196 nan 8.250 nan 0.000 0.446 229 L N 0.828 122.114 121.223 0.105 0.000 2.051 229 L HA -0.224 4.117 4.340 0.001 0.000 0.214 229 L C 2.130 179.061 176.870 0.101 0.000 1.076 229 L CA 1.547 56.435 54.840 0.080 0.000 0.758 229 L CB -0.532 41.554 42.059 0.046 0.000 0.890 229 L HN 0.197 nan 8.230 nan 0.000 0.433 230 L N -1.446 119.830 121.223 0.088 0.000 2.191 230 L HA -0.106 4.235 4.340 0.001 0.000 0.212 230 L C -0.050 176.904 176.870 0.141 0.000 1.103 230 L CA 0.395 55.289 54.840 0.090 0.000 0.769 230 L CB -0.031 42.047 42.059 0.032 0.000 0.908 230 L HN 0.102 nan 8.230 nan 0.000 0.438 231 V N -3.125 116.897 119.914 0.180 0.000 2.777 231 V HA 0.361 4.482 4.120 0.001 0.000 0.267 231 V C 0.522 176.800 176.094 0.307 0.000 1.031 231 V CA -0.253 62.177 62.300 0.217 0.000 0.921 231 V CB 0.361 32.325 31.823 0.234 0.000 1.055 231 V HN 0.060 nan 8.190 nan 0.000 0.485 232 G N 1.848 110.781 108.800 0.220 0.000 2.607 232 G HA2 0.020 3.980 3.960 0.001 0.000 0.215 232 G HA3 0.020 3.980 3.960 0.001 0.000 0.215 232 G C 1.111 176.130 174.900 0.198 0.000 1.275 232 G CA 1.385 46.594 45.100 0.182 0.000 0.842 232 G HN 0.656 nan 8.290 nan 0.000 0.555 233 S N -0.945 114.834 115.700 0.133 0.000 2.526 233 S HA 0.137 4.607 4.470 0.001 0.000 0.220 233 S C 2.056 176.729 174.600 0.121 0.000 1.017 233 S CA 0.048 58.325 58.200 0.128 0.000 0.930 233 S CB 0.063 63.291 63.200 0.046 0.000 0.856 233 S HN 0.390 nan 8.310 nan 0.000 0.497 234 R N 2.064 122.624 120.500 0.100 0.000 2.127 234 R HA -0.046 4.294 4.340 0.001 0.000 0.238 234 R C 1.300 177.613 176.300 0.022 0.000 1.134 234 R CA 1.389 57.525 56.100 0.060 0.000 0.975 234 R CB -0.605 29.733 30.300 0.064 0.000 0.865 234 R HN 0.273 nan 8.270 nan 0.000 0.447 235 A N 0.960 123.822 122.820 0.070 0.000 2.711 235 A HA -0.213 4.107 4.320 0.001 0.000 0.304 235 A C -0.206 177.102 177.584 -0.459 0.000 1.495 235 A CA 1.369 53.352 52.037 -0.089 0.000 0.971 235 A CB -1.142 17.822 19.000 -0.061 0.000 0.935 235 A HN 0.378 nan 8.150 nan 0.000 0.526 236 R N -0.380 119.944 120.500 -0.295 0.000 2.605 236 R HA 0.436 4.776 4.340 0.001 0.000 0.271 236 R C -0.109 175.533 176.300 -1.097 0.000 1.418 236 R CA 0.747 56.542 56.100 -0.510 0.000 1.102 236 R CB -1.486 28.723 30.300 -0.152 0.000 1.131 236 R HN 0.838 nan 8.270 nan 0.000 0.554 237 F N -2.407 116.849 119.950 -1.156 0.000 3.016 237 F HA 0.649 5.177 4.527 0.001 0.000 0.324 237 F C -0.821 174.710 175.800 -0.449 0.000 1.196 237 F CA -1.493 55.856 58.000 -1.085 0.000 0.929 237 F CB 1.319 39.986 39.000 -0.554 0.000 1.440 237 F HN -0.074 nan 8.300 nan 0.000 0.505 238 T N 1.533 116.330 114.554 0.405 0.000 3.509 238 T HA 0.405 4.755 4.350 0.001 0.000 0.330 238 T C -1.436 173.277 174.700 0.022 0.000 0.851 238 T CA -0.359 61.894 62.100 0.255 0.000 1.057 238 T CB 0.893 69.885 68.868 0.207 0.000 1.023 238 T HN 0.681 nan 8.240 nan 0.000 0.470 239 V N 3.763 123.593 119.914 -0.139 0.000 2.732 239 V HA 0.612 4.733 4.120 0.001 0.000 0.297 239 V C -0.080 175.913 176.094 -0.167 0.000 1.060 239 V CA -0.033 62.069 62.300 -0.330 0.000 1.038 239 V CB 1.593 32.968 31.823 -0.746 0.000 1.003 239 V HN 0.634 nan 8.190 nan 0.000 0.481 240 V N 3.957 123.814 119.914 -0.094 0.000 2.686 240 V HA 0.981 5.101 4.120 0.001 0.000 0.306 240 V C 0.269 176.350 176.094 -0.021 0.000 1.065 240 V CA 0.276 62.540 62.300 -0.060 0.000 0.894 240 V CB 1.246 33.033 31.823 -0.059 0.000 1.004 240 V HN 1.129 nan 8.190 nan 0.000 0.424 241 G N 2.347 111.121 108.800 -0.044 0.000 2.490 241 G HA2 0.614 4.575 3.960 0.001 0.000 0.308 241 G HA3 0.614 4.575 3.960 0.001 0.000 0.308 241 G C -2.415 172.438 174.900 -0.077 0.000 1.286 241 G CA -0.227 44.848 45.100 -0.042 0.000 0.825 241 G HN 0.609 nan 8.290 nan 0.000 0.479 242 D N -0.642 119.718 120.400 -0.066 0.000 2.977 242 D HA 0.249 4.889 4.640 0.001 0.000 0.220 242 D C -0.144 176.132 176.300 -0.039 0.000 1.267 242 D CA -0.311 53.654 54.000 -0.059 0.000 0.884 242 D CB 2.018 42.801 40.800 -0.028 0.000 1.667 242 D HN 0.342 nan 8.370 nan 0.000 0.536 243 D N 1.504 121.893 120.400 -0.019 0.000 2.347 243 D HA -0.068 4.572 4.640 0.001 0.000 0.213 243 D C 0.359 176.657 176.300 -0.003 0.000 0.985 243 D CA 0.181 54.194 54.000 0.020 0.000 0.879 243 D CB 0.402 41.266 40.800 0.105 0.000 0.919 243 D HN 0.286 nan 8.370 nan 0.000 0.526 244 D N 0.654 121.034 120.400 -0.033 0.000 2.340 244 D HA -0.000 4.640 4.640 0.001 0.000 0.220 244 D C 1.046 177.288 176.300 -0.096 0.000 1.039 244 D CA 0.274 54.173 54.000 -0.168 0.000 0.866 244 D CB 0.354 40.929 40.800 -0.376 0.000 0.913 244 D HN 0.421 nan 8.370 nan 0.000 0.523 245 Q N 0.073 119.856 119.800 -0.029 0.000 2.179 245 Q HA 0.066 4.406 4.340 0.001 0.000 0.213 245 Q C 0.265 176.233 176.000 -0.054 0.000 0.833 245 Q CA -0.156 55.638 55.803 -0.015 0.000 0.990 245 Q CB 0.945 29.681 28.738 -0.004 0.000 1.132 245 Q HN 0.002 nan 8.270 nan 0.000 0.493 246 S N 0.850 116.520 115.700 -0.051 0.000 2.465 246 S HA 0.207 4.677 4.470 0.001 0.000 0.280 246 S C 0.748 175.318 174.600 -0.050 0.000 1.232 246 S CA -0.364 57.810 58.200 -0.044 0.000 1.066 246 S CB 0.064 63.251 63.200 -0.023 0.000 0.929 246 S HN 0.432 nan 8.310 nan 0.000 0.494 247 I N -0.162 120.357 120.570 -0.086 0.000 4.774 247 I HA 0.346 4.516 4.170 0.001 0.000 0.330 247 I C -0.178 175.893 176.117 -0.076 0.000 1.287 247 I CA -0.533 60.693 61.300 -0.123 0.000 1.311 247 I CB 0.047 37.828 38.000 -0.365 0.000 1.315 247 I HN 0.497 nan 8.210 nan 0.000 0.459 248 Y N 2.871 123.170 120.300 -0.001 0.000 2.955 248 Y HA 0.268 4.818 4.550 0.001 0.000 0.386 248 Y C 2.335 177.983 175.900 -0.419 0.000 1.069 248 Y CA 0.077 57.995 58.100 -0.304 0.000 1.764 248 Y CB -0.183 38.096 38.460 -0.300 0.000 1.646 248 Y HN 0.278 nan 8.280 nan 0.000 0.486 249 S N 0.445 116.083 115.700 -0.104 0.000 2.383 249 S HA -0.153 4.318 4.470 0.001 0.000 0.227 249 S C 1.706 176.271 174.600 -0.058 0.000 1.026 249 S CA 0.954 59.136 58.200 -0.028 0.000 0.981 249 S CB -0.454 62.797 63.200 0.086 0.000 0.818 249 S HN 0.748 nan 8.310 nan 0.000 0.472 250 W N 0.685 122.049 121.300 0.107 0.000 2.848 250 W HA 0.328 4.988 4.660 0.001 0.000 0.241 250 W C 0.598 177.156 176.519 0.065 0.000 1.289 250 W CA -0.257 57.133 57.345 0.075 0.000 1.396 250 W CB -0.695 28.806 29.460 0.069 0.000 1.138 250 W HN 0.221 nan 8.180 nan 0.000 0.677 251 R N 0.374 120.579 120.500 -0.491 0.000 2.690 251 R HA 0.216 4.556 4.340 0.001 0.000 0.419 251 R C 1.225 177.394 176.300 -0.218 0.000 1.090 251 R CA 0.160 56.009 56.100 -0.418 0.000 1.064 251 R CB 0.063 29.923 30.300 -0.733 0.000 1.391 251 R HN 0.273 nan 8.270 nan 0.000 0.586 252 G N 0.120 108.846 108.800 -0.123 0.000 2.157 252 G HA2 -0.304 3.656 3.960 0.001 0.000 0.248 252 G HA3 -0.304 3.656 3.960 0.001 0.000 0.248 252 G C 0.212 175.091 174.900 -0.036 0.000 0.979 252 G CA 0.141 45.204 45.100 -0.062 0.000 0.650 252 G HN 0.485 nan 8.290 nan 0.000 0.529 253 A N 0.635 123.427 122.820 -0.047 0.000 2.350 253 A HA 0.679 4.999 4.320 0.001 0.000 0.293 253 A C 0.793 178.376 177.584 -0.001 0.000 1.231 253 A CA -0.190 51.838 52.037 -0.016 0.000 0.883 253 A CB 0.120 19.112 19.000 -0.012 0.000 1.133 253 A HN 0.434 nan 8.150 nan 0.000 0.533 254 R N 4.552 125.058 120.500 0.010 0.000 2.357 254 R HA 0.116 4.456 4.340 0.001 0.000 0.330 254 R C -1.424 174.893 176.300 0.028 0.000 1.102 254 R CA -1.383 54.743 56.100 0.044 0.000 0.974 254 R CB 0.719 31.078 30.300 0.099 0.000 1.002 254 R HN 0.608 nan 8.270 nan 0.000 0.463 255 P HA -0.227 nan 4.420 nan 0.000 0.214 255 P C 0.222 177.570 177.300 0.079 0.000 1.163 255 P CA 1.346 64.474 63.100 0.046 0.000 0.889 255 P CB 0.273 32.008 31.700 0.058 0.000 0.790 256 Q N -0.481 119.386 119.800 0.111 0.000 2.518 256 Q HA -0.003 4.337 4.340 0.001 0.000 0.217 256 Q C 1.529 177.654 176.000 0.208 0.000 0.974 256 Q CA 0.096 55.993 55.803 0.158 0.000 0.971 256 Q CB -1.368 27.456 28.738 0.144 0.000 0.988 256 Q HN 0.314 nan 8.270 nan 0.000 0.536 257 N N 0.516 119.317 118.700 0.167 0.000 2.104 257 N HA -0.121 4.620 4.740 0.001 0.000 0.190 257 N C 1.572 177.323 175.510 0.402 0.000 1.024 257 N CA 0.919 54.093 53.050 0.207 0.000 0.853 257 N CB -0.053 38.340 38.487 -0.156 0.000 1.008 257 N HN 0.329 nan 8.380 nan 0.000 0.424 258 L N -0.184 121.247 121.223 0.348 0.000 2.141 258 L HA -0.098 4.242 4.340 0.001 0.000 0.209 258 L C 2.261 179.368 176.870 0.395 0.000 1.094 258 L CA 0.543 55.576 54.840 0.322 0.000 0.763 258 L CB -0.231 41.922 42.059 0.156 0.000 0.908 258 L HN -0.022 nan 8.230 nan 0.000 0.437 259 V N -0.574 119.571 119.914 0.385 0.000 2.273 259 V HA -0.228 3.892 4.120 0.001 0.000 0.242 259 V C 2.324 178.589 176.094 0.284 0.000 1.035 259 V CA 1.165 63.654 62.300 0.316 0.000 1.013 259 V CB -0.172 31.784 31.823 0.222 0.000 0.652 259 V HN 0.185 nan 8.190 nan 0.000 0.452 260 L N -0.657 120.745 121.223 0.299 0.000 2.064 260 L HA -0.255 4.085 4.340 0.001 0.000 0.216 260 L C 2.278 179.398 176.870 0.416 0.000 1.077 260 L CA 1.806 56.848 54.840 0.337 0.000 0.766 260 L CB -1.258 41.061 42.059 0.434 0.000 0.890 260 L HN 0.284 nan 8.230 nan 0.000 0.435 261 L N -0.401 121.092 121.223 0.450 0.000 1.990 261 L HA -0.274 4.066 4.340 0.001 0.000 0.213 261 L C 2.848 179.960 176.870 0.403 0.000 1.072 261 L CA 2.220 57.324 54.840 0.440 0.000 0.755 261 L CB -0.980 41.195 42.059 0.193 0.000 0.889 261 L HN 0.551 nan 8.230 nan 0.000 0.432 262 S N -1.672 114.218 115.700 0.317 0.000 2.402 262 S HA -0.299 4.171 4.470 0.001 0.000 0.233 262 S C 1.763 176.498 174.600 0.224 0.000 1.030 262 S CA 1.617 59.976 58.200 0.264 0.000 1.003 262 S CB -0.422 62.915 63.200 0.229 0.000 0.813 262 S HN 0.660 nan 8.310 nan 0.000 0.477 263 Q N 1.815 121.743 119.800 0.213 0.000 1.879 263 Q HA 0.013 4.354 4.340 0.001 0.000 0.214 263 Q C 1.337 177.418 176.000 0.134 0.000 0.973 263 Q CA 1.346 57.237 55.803 0.147 0.000 0.856 263 Q CB -0.307 28.501 28.738 0.116 0.000 0.907 263 Q HN 0.813 nan 8.270 nan 0.000 0.436 264 D N -0.074 120.397 120.400 0.119 0.000 2.489 264 D HA -0.119 4.521 4.640 0.001 0.000 0.264 264 D C -0.764 175.446 176.300 -0.149 0.000 1.294 264 D CA 0.563 54.545 54.000 -0.030 0.000 0.938 264 D CB -0.167 40.580 40.800 -0.089 0.000 0.985 264 D HN 0.104 nan 8.370 nan 0.000 0.492 265 F N -0.381 119.647 119.950 0.129 0.000 3.457 265 F HA 0.164 4.691 4.527 0.001 0.000 0.429 265 F C -2.291 173.563 175.800 0.090 0.000 1.029 265 F CA -1.580 56.490 58.000 0.117 0.000 1.385 265 F CB 1.460 40.569 39.000 0.180 0.000 2.701 265 F HN -0.210 nan 8.300 nan 0.000 0.714 266 P HA 0.099 nan 4.420 nan 0.000 0.240 266 P C 1.112 178.486 177.300 0.122 0.000 1.190 266 P CA 0.705 63.895 63.100 0.150 0.000 0.781 266 P CB 0.400 32.157 31.700 0.095 0.000 0.931 267 A N -0.393 122.505 122.820 0.130 0.000 2.337 267 A HA 0.145 4.465 4.320 0.001 0.000 0.227 267 A C 0.658 178.300 177.584 0.097 0.000 1.259 267 A CA -0.259 51.834 52.037 0.095 0.000 0.870 267 A CB -1.027 18.026 19.000 0.087 0.000 0.927 267 A HN 0.097 nan 8.150 nan 0.000 0.497 268 L N 0.561 121.853 121.223 0.114 0.000 2.540 268 L HA 0.085 4.426 4.340 0.001 0.000 0.276 268 L C 0.449 177.391 176.870 0.119 0.000 1.212 268 L CA 0.713 55.614 54.840 0.102 0.000 0.893 268 L CB 0.116 42.261 42.059 0.143 0.000 1.138 268 L HN 0.074 nan 8.230 nan 0.000 0.491 269 K N 4.995 125.493 120.400 0.163 0.000 2.414 269 K HA 0.256 4.577 4.320 0.001 0.000 0.251 269 K C -1.397 175.288 176.600 0.143 0.000 1.037 269 K CA -0.541 55.833 56.287 0.145 0.000 0.980 269 K CB 0.698 33.333 32.500 0.224 0.000 1.280 269 K HN 0.443 nan 8.250 nan 0.000 0.451 270 V N 6.692 126.676 119.914 0.117 0.000 2.397 270 V HA 0.158 4.279 4.120 0.001 0.000 0.262 270 V C 0.708 176.841 176.094 0.066 0.000 1.047 270 V CA -0.080 62.280 62.300 0.100 0.000 1.003 270 V CB 0.031 31.964 31.823 0.183 0.000 1.037 270 V HN 0.508 nan 8.190 nan 0.000 0.480 271 I N 7.219 127.821 120.570 0.055 0.000 2.336 271 I HA 0.437 4.607 4.170 0.001 0.000 0.292 271 I C 0.102 176.221 176.117 0.004 0.000 0.991 271 I CA -0.675 60.648 61.300 0.039 0.000 1.227 271 I CB 1.476 39.516 38.000 0.068 0.000 1.366 271 I HN 0.535 nan 8.210 nan 0.000 0.466 272 K N 7.982 128.383 120.400 0.001 0.000 2.270 272 K HA 0.551 4.871 4.320 0.001 0.000 0.255 272 K C -1.357 175.233 176.600 -0.017 0.000 0.936 272 K CA -0.618 55.657 56.287 -0.019 0.000 0.809 272 K CB 1.824 34.318 32.500 -0.010 0.000 1.131 272 K HN 0.552 nan 8.250 nan 0.000 0.427 273 L N 2.822 124.018 121.223 -0.046 0.000 2.257 273 L HA 0.360 4.700 4.340 0.001 0.000 0.290 273 L C 0.958 177.775 176.870 -0.088 0.000 1.044 273 L CA -0.210 54.585 54.840 -0.075 0.000 0.810 273 L CB 1.101 43.095 42.059 -0.108 0.000 1.193 273 L HN 0.777 nan 8.230 nan 0.000 0.425 274 E N 1.114 121.271 120.200 -0.072 0.000 2.413 274 E HA 0.003 4.353 4.350 0.001 0.000 0.203 274 E C 0.358 176.719 176.600 -0.400 0.000 0.957 274 E CA -0.122 56.240 56.400 -0.062 0.000 0.950 274 E CB 0.731 30.551 29.700 0.199 0.000 0.957 274 E HN 0.572 nan 8.360 nan 0.000 0.497 275 Q N 1.624 121.017 119.800 -0.679 0.000 2.297 275 Q HA 0.035 4.376 4.340 0.001 0.000 0.267 275 Q C -0.694 174.779 176.000 -0.877 0.000 1.006 275 Q CA -0.040 55.029 55.803 -1.224 0.000 0.896 275 Q CB 0.515 28.722 28.738 -0.884 0.000 1.186 275 Q HN -0.079 nan 8.270 nan 0.000 0.392 276 N N 3.197 121.448 118.700 -0.749 0.000 2.362 276 N HA 0.151 4.891 4.740 0.001 0.000 0.298 276 N C -1.179 174.130 175.510 -0.334 0.000 1.048 276 N CA -0.289 52.470 53.050 -0.486 0.000 0.858 276 N CB 0.735 39.050 38.487 -0.287 0.000 1.218 276 N HN 0.594 nan 8.380 nan 0.000 0.488 277 Y N 1.825 122.019 120.300 -0.176 0.000 2.458 277 Y HA 0.225 4.776 4.550 0.001 0.000 0.256 277 Y C 1.756 177.578 175.900 -0.131 0.000 1.159 277 Y CA 0.019 58.034 58.100 -0.142 0.000 1.261 277 Y CB 0.157 38.542 38.460 -0.126 0.000 1.119 277 Y HN 0.674 nan 8.280 nan 0.000 0.524 278 R N -1.322 119.180 120.500 0.003 0.000 2.125 278 R HA 0.267 4.608 4.340 0.001 0.000 0.195 278 R C 0.599 176.846 176.300 -0.090 0.000 1.138 278 R CA 0.316 56.381 56.100 -0.058 0.000 1.123 278 R CB -0.551 29.691 30.300 -0.098 0.000 1.049 278 R HN -0.072 nan 8.270 nan 0.000 0.503 279 S N 1.896 117.530 115.700 -0.110 0.000 2.576 279 S HA 0.140 4.611 4.470 0.001 0.000 0.276 279 S C 0.166 174.702 174.600 -0.106 0.000 1.339 279 S CA -0.343 57.783 58.200 -0.124 0.000 1.039 279 S CB 1.517 64.631 63.200 -0.144 0.000 0.902 279 S HN 0.484 nan 8.310 nan 0.000 0.516 280 S N 1.681 117.306 115.700 -0.124 0.000 2.587 280 S HA 0.231 4.702 4.470 0.001 0.000 0.260 280 S C 1.648 176.164 174.600 -0.139 0.000 1.353 280 S CA -0.108 58.019 58.200 -0.121 0.000 0.995 280 S CB 0.190 63.292 63.200 -0.163 0.000 0.912 280 S HN 0.813 nan 8.310 nan 0.000 0.568 281 G N 1.518 110.241 108.800 -0.129 0.000 2.421 281 G HA2 -0.196 3.765 3.960 0.001 0.000 0.216 281 G HA3 -0.196 3.765 3.960 0.001 0.000 0.216 281 G C 1.506 176.221 174.900 -0.309 0.000 1.171 281 G CA 0.792 45.831 45.100 -0.102 0.000 0.775 281 G HN 0.819 nan 8.290 nan 0.000 0.543 282 R N -0.331 119.732 120.500 -0.729 0.000 2.091 282 R HA -0.094 4.247 4.340 0.001 0.000 0.238 282 R C 2.462 178.565 176.300 -0.329 0.000 1.136 282 R CA 1.357 56.977 56.100 -0.800 0.000 0.959 282 R CB -0.300 29.418 30.300 -0.970 0.000 0.856 282 R HN 0.358 nan 8.270 nan 0.000 0.437 283 I N 0.882 121.302 120.570 -0.250 0.000 2.202 283 I HA -0.269 3.902 4.170 0.001 0.000 0.242 283 I C 2.166 178.209 176.117 -0.123 0.000 1.091 283 I CA 1.278 62.481 61.300 -0.163 0.000 1.368 283 I CB -0.395 37.506 38.000 -0.165 0.000 1.058 283 I HN 0.170 nan 8.210 nan 0.000 0.410 284 L N 0.140 121.292 121.223 -0.119 0.000 2.042 284 L HA -0.263 4.077 4.340 0.001 0.000 0.210 284 L C 2.568 179.426 176.870 -0.020 0.000 1.076 284 L CA 1.506 56.302 54.840 -0.073 0.000 0.749 284 L CB -0.870 41.161 42.059 -0.046 0.000 0.893 284 L HN 0.282 nan 8.230 nan 0.000 0.432 285 K N 0.700 121.088 120.400 -0.019 0.000 2.057 285 K HA -0.214 4.107 4.320 0.001 0.000 0.207 285 K C 2.153 178.778 176.600 0.043 0.000 1.049 285 K CA 1.510 57.818 56.287 0.035 0.000 0.931 285 K CB -0.083 32.455 32.500 0.062 0.000 0.714 285 K HN 0.271 nan 8.250 nan 0.000 0.440 286 A N 1.295 124.127 122.820 0.020 0.000 1.858 286 A HA -0.124 4.197 4.320 0.001 0.000 0.216 286 A C 2.405 180.021 177.584 0.052 0.000 1.190 286 A CA 2.139 54.207 52.037 0.051 0.000 0.617 286 A CB -1.016 18.024 19.000 0.067 0.000 0.827 286 A HN 0.503 nan 8.150 nan 0.000 0.443 287 A N 0.148 122.974 122.820 0.010 0.000 1.873 287 A HA -0.285 4.036 4.320 0.001 0.000 0.218 287 A C 1.965 179.663 177.584 0.189 0.000 1.193 287 A CA 2.160 54.201 52.037 0.008 0.000 0.629 287 A CB -0.864 17.995 19.000 -0.235 0.000 0.826 287 A HN 0.541 nan 8.150 nan 0.000 0.447 288 N N -0.186 118.599 118.700 0.142 0.000 2.192 288 N HA -0.126 4.614 4.740 0.001 0.000 0.188 288 N C 1.577 177.168 175.510 0.135 0.000 1.013 288 N CA 1.619 54.773 53.050 0.173 0.000 0.863 288 N CB -0.374 38.186 38.487 0.123 0.000 0.990 288 N HN 0.634 nan 8.380 nan 0.000 0.430 289 I N -0.264 120.367 120.570 0.101 0.000 2.296 289 I HA -0.159 4.012 4.170 0.001 0.000 0.242 289 I C 2.144 178.290 176.117 0.048 0.000 1.087 289 I CA 0.178 61.522 61.300 0.073 0.000 1.393 289 I CB -0.224 37.818 38.000 0.070 0.000 1.093 289 I HN 0.033 nan 8.210 nan 0.000 0.421 290 L N 1.253 122.503 121.223 0.045 0.000 2.054 290 L HA -0.275 4.065 4.340 0.001 0.000 0.220 290 L C 2.250 179.068 176.870 -0.086 0.000 1.081 290 L CA 2.089 56.916 54.840 -0.023 0.000 0.780 290 L CB -0.662 41.380 42.059 -0.028 0.000 0.893 290 L HN 0.210 nan 8.230 nan 0.000 0.438 291 I N -0.274 120.267 120.570 -0.049 0.000 2.830 291 I HA -0.031 4.139 4.170 0.001 0.000 0.263 291 I C 2.159 178.156 176.117 -0.200 0.000 1.230 291 I CA 1.157 62.313 61.300 -0.239 0.000 1.480 291 I CB -0.645 37.070 38.000 -0.475 0.000 1.095 291 I HN 0.337 nan 8.210 nan 0.000 0.455 292 A N -0.187 122.601 122.820 -0.055 0.000 2.206 292 A HA -0.020 4.300 4.320 0.001 0.000 0.211 292 A C 1.812 179.383 177.584 -0.022 0.000 1.158 292 A CA 0.780 52.819 52.037 0.004 0.000 0.761 292 A CB -0.818 18.215 19.000 0.054 0.000 0.801 292 A HN 0.546 nan 8.150 nan 0.000 0.473 293 N N 0.310 118.975 118.700 -0.058 0.000 2.467 293 N HA -0.038 4.703 4.740 0.001 0.000 0.184 293 N C -0.251 175.221 175.510 -0.063 0.000 1.106 293 N CA 0.090 53.118 53.050 -0.037 0.000 0.892 293 N CB -0.003 38.468 38.487 -0.027 0.000 0.969 293 N HN 0.322 nan 8.380 nan 0.000 0.454 294 N N 2.085 120.701 118.700 -0.140 0.000 2.518 294 N HA 0.193 4.933 4.740 0.001 0.000 0.283 294 N C -2.466 172.978 175.510 -0.109 0.000 1.119 294 N CA -1.690 51.260 53.050 -0.167 0.000 0.983 294 N CB 0.795 39.085 38.487 -0.329 0.000 1.139 294 N HN 0.024 nan 8.380 nan 0.000 0.465 295 P HA -0.013 nan 4.420 nan 0.000 0.262 295 P C -0.899 176.445 177.300 0.073 0.000 1.199 295 P CA 0.543 63.656 63.100 0.022 0.000 0.763 295 P CB 0.325 32.040 31.700 0.025 0.000 0.790 296 H N 2.075 121.142 119.070 -0.005 0.000 2.538 296 H HA 0.290 4.847 4.556 0.001 0.000 0.353 296 H C 0.684 176.012 175.328 0.000 0.000 1.109 296 H CA -0.752 55.296 56.048 0.000 0.000 1.192 296 H CB 1.650 31.408 29.762 -0.006 0.000 1.555 296 H HN -0.017 nan 8.280 nan 0.000 0.518 297 V N 3.400 123.391 119.914 0.129 0.000 2.597 297 V HA 0.078 4.199 4.120 0.001 0.000 0.220 297 V C 0.476 176.449 176.094 -0.202 0.000 1.134 297 V CA 0.367 62.630 62.300 -0.061 0.000 1.159 297 V CB -0.329 31.472 31.823 -0.036 0.000 0.788 297 V HN 0.482 nan 8.190 nan 0.000 0.502 298 F N 1.555 121.392 119.950 -0.189 0.000 2.538 298 F HA 0.209 4.736 4.527 0.001 0.000 0.371 298 F C 0.753 176.339 175.800 -0.357 0.000 1.087 298 F CA 0.247 58.132 58.000 -0.192 0.000 1.250 298 F CB 0.100 39.026 39.000 -0.123 0.000 1.110 298 F HN 0.170 nan 8.300 nan 0.000 0.570 299 E N 4.751 124.915 120.200 -0.061 0.000 2.283 299 E HA 0.218 4.569 4.350 0.001 0.000 0.278 299 E C -1.089 175.487 176.600 -0.040 0.000 1.027 299 E CA -0.486 55.851 56.400 -0.106 0.000 0.843 299 E CB 1.235 30.911 29.700 -0.040 0.000 1.062 299 E HN 0.686 nan 8.360 nan 0.000 0.401 300 K N 4.054 124.431 120.400 -0.038 0.000 2.581 300 K HA 0.333 4.654 4.320 0.001 0.000 0.249 300 K C -1.368 175.276 176.600 0.072 0.000 0.966 300 K CA -0.701 55.603 56.287 0.028 0.000 0.811 300 K CB 1.199 33.715 32.500 0.028 0.000 1.223 300 K HN 0.318 nan 8.250 nan 0.000 0.438 301 R N 5.345 125.900 120.500 0.092 0.000 2.521 301 R HA 0.355 4.695 4.340 0.001 0.000 0.295 301 R C -0.952 175.449 176.300 0.169 0.000 1.183 301 R CA -0.420 55.749 56.100 0.116 0.000 0.957 301 R CB 0.642 30.994 30.300 0.087 0.000 1.171 301 R HN 0.587 nan 8.270 nan 0.000 0.494 302 L N 4.821 126.137 121.223 0.154 0.000 2.483 302 L HA 0.353 4.694 4.340 0.001 0.000 0.275 302 L C -0.186 176.824 176.870 0.233 0.000 1.220 302 L CA 0.219 55.137 54.840 0.130 0.000 0.833 302 L CB 0.240 42.327 42.059 0.046 0.000 1.102 302 L HN 0.649 nan 8.230 nan 0.000 0.490 303 F N 0.118 120.051 119.950 -0.029 0.000 2.654 303 F HA 0.552 5.079 4.527 0.001 0.000 0.314 303 F C -0.690 175.093 175.800 -0.028 0.000 1.116 303 F CA -0.869 57.121 58.000 -0.017 0.000 1.017 303 F CB 1.158 40.157 39.000 -0.003 0.000 1.285 303 F HN 0.371 nan 8.300 nan 0.000 0.448 304 S N 1.440 117.172 115.700 0.053 0.000 2.638 304 S HA 0.574 5.044 4.470 0.001 0.000 0.302 304 S C -0.360 174.323 174.600 0.138 0.000 1.096 304 S CA -0.486 57.700 58.200 -0.024 0.000 0.953 304 S CB 1.969 65.154 63.200 -0.025 0.000 1.107 304 S HN 0.847 nan 8.310 nan 0.000 0.503 305 E N 0.614 120.892 120.200 0.129 0.000 2.423 305 E HA 0.422 4.772 4.350 0.001 0.000 0.198 305 E C -0.643 176.009 176.600 0.086 0.000 1.038 305 E CA -0.075 56.410 56.400 0.142 0.000 1.011 305 E CB -0.334 29.459 29.700 0.155 0.000 1.118 305 E HN 0.632 nan 8.360 nan 0.000 0.451 306 L N -1.130 120.133 121.223 0.067 0.000 2.331 306 L HA 0.603 4.943 4.340 0.001 0.000 0.268 306 L C 1.041 177.942 176.870 0.052 0.000 1.015 306 L CA -1.184 53.678 54.840 0.036 0.000 0.807 306 L CB 1.117 43.180 42.059 0.006 0.000 1.293 306 L HN -0.027 nan 8.230 nan 0.000 0.451 307 G N -1.142 107.684 108.800 0.043 0.000 2.544 307 G HA2 0.146 4.106 3.960 0.001 0.000 0.242 307 G HA3 0.146 4.106 3.960 0.001 0.000 0.242 307 G C -1.003 173.955 174.900 0.097 0.000 1.247 307 G CA -0.116 45.030 45.100 0.077 0.000 0.840 307 G HN 0.420 nan 8.290 nan 0.000 0.578 308 Y N 1.136 121.442 120.300 0.010 0.000 2.610 308 Y HA 0.314 4.864 4.550 0.001 0.000 0.332 308 Y C 1.262 177.163 175.900 0.002 0.000 1.201 308 Y CA 1.174 59.280 58.100 0.010 0.000 1.465 308 Y CB 0.758 39.227 38.460 0.014 0.000 1.283 308 Y HN 0.607 nan 8.280 nan 0.000 0.563 309 G N 2.842 111.560 108.800 -0.138 0.000 2.783 309 G HA2 0.518 4.479 3.960 0.001 0.000 0.182 309 G HA3 0.518 4.479 3.960 0.001 0.000 0.182 309 G C -1.021 173.896 174.900 0.027 0.000 1.516 309 G CA -0.206 44.864 45.100 -0.051 0.000 1.079 309 G HN 0.889 nan 8.290 nan 0.000 0.573 310 A N -0.481 122.334 122.820 -0.009 0.000 2.325 310 A HA 0.598 4.918 4.320 0.001 0.000 0.333 310 A C 0.251 177.827 177.584 -0.014 0.000 1.155 310 A CA -0.539 51.510 52.037 0.020 0.000 0.814 310 A CB 0.589 19.601 19.000 0.019 0.000 1.206 310 A HN 0.636 nan 8.150 nan 0.000 0.482 311 E N 1.734 121.947 120.200 0.022 0.000 2.467 311 E HA 0.064 4.414 4.350 0.001 0.000 0.264 311 E C -0.853 175.710 176.600 -0.061 0.000 1.020 311 E CA 0.104 56.511 56.400 0.010 0.000 0.945 311 E CB 0.282 30.013 29.700 0.051 0.000 0.942 311 E HN 0.486 nan 8.360 nan 0.000 0.449 312 L N 2.659 123.835 121.223 -0.080 0.000 2.313 312 L HA 0.181 4.521 4.340 0.001 0.000 0.282 312 L C 0.813 177.580 176.870 -0.173 0.000 1.092 312 L CA -0.055 54.668 54.840 -0.196 0.000 0.831 312 L CB 0.143 42.118 42.059 -0.140 0.000 1.159 312 L HN 0.288 nan 8.230 nan 0.000 0.442 313 K N 2.546 122.802 120.400 -0.239 0.000 2.095 313 K HA 0.561 4.882 4.320 0.001 0.000 0.252 313 K C -0.808 175.653 176.600 -0.233 0.000 0.977 313 K CA -0.757 55.425 56.287 -0.174 0.000 0.900 313 K CB 2.404 34.829 32.500 -0.126 0.000 1.060 313 K HN 0.250 nan 8.250 nan 0.000 0.449 314 V N 4.066 123.828 119.914 -0.254 0.000 2.320 314 V HA 0.191 4.311 4.120 0.001 0.000 0.268 314 V C -0.449 175.513 176.094 -0.220 0.000 1.021 314 V CA -0.679 61.411 62.300 -0.351 0.000 0.813 314 V CB 0.433 31.650 31.823 -1.010 0.000 1.054 314 V HN 0.578 nan 8.190 nan 0.000 0.444 315 L N 3.186 124.344 121.223 -0.108 0.000 2.418 315 L HA 0.340 4.680 4.340 0.001 0.000 0.274 315 L C 0.511 177.355 176.870 -0.044 0.000 1.135 315 L CA 0.375 55.178 54.840 -0.062 0.000 0.870 315 L CB 0.775 42.798 42.059 -0.060 0.000 1.154 315 L HN 0.507 nan 8.230 nan 0.000 0.462 316 S N 2.898 118.596 115.700 -0.003 0.000 2.423 316 S HA 0.620 5.090 4.470 0.001 0.000 0.317 316 S C 0.226 174.846 174.600 0.032 0.000 1.065 316 S CA -0.778 57.448 58.200 0.042 0.000 1.111 316 S CB 1.417 64.686 63.200 0.115 0.000 0.968 316 S HN 0.701 nan 8.310 nan 0.000 0.474 317 A N 3.149 125.972 122.820 0.005 0.000 2.279 317 A HA 0.503 4.823 4.320 0.001 0.000 0.303 317 A C 0.995 178.688 177.584 0.183 0.000 1.108 317 A CA -0.811 51.245 52.037 0.033 0.000 0.830 317 A CB 0.349 19.279 19.000 -0.116 0.000 1.106 317 A HN 0.741 nan 8.150 nan 0.000 0.493 318 N N 0.602 119.534 118.700 0.388 0.000 2.173 318 N HA -0.065 4.675 4.740 0.001 0.000 0.184 318 N C 0.312 175.871 175.510 0.081 0.000 1.025 318 N CA 1.426 54.563 53.050 0.144 0.000 0.852 318 N CB -0.236 38.248 38.487 -0.004 0.000 0.998 318 N HN 0.869 nan 8.380 nan 0.000 0.427 319 N N -0.365 118.385 118.700 0.083 0.000 3.229 319 N HA 0.060 4.800 4.740 0.001 0.000 0.315 319 N C 0.464 175.974 175.510 0.001 0.000 1.520 319 N CA -0.569 52.501 53.050 0.033 0.000 0.769 319 N CB 1.208 39.703 38.487 0.012 0.000 1.766 319 N HN -0.197 nan 8.380 nan 0.000 0.618 320 E N -0.237 119.953 120.200 -0.017 0.000 2.097 320 E HA -0.215 4.135 4.350 0.001 0.000 0.196 320 E C 0.803 177.312 176.600 -0.151 0.000 1.000 320 E CA 1.591 57.949 56.400 -0.070 0.000 0.804 320 E CB 0.121 29.800 29.700 -0.035 0.000 0.740 320 E HN 0.573 nan 8.360 nan 0.000 0.454 321 E N -0.497 119.641 120.200 -0.105 0.000 2.028 321 E HA -0.179 4.171 4.350 0.001 0.000 0.190 321 E C 2.131 178.574 176.600 -0.261 0.000 0.984 321 E CA 0.565 56.862 56.400 -0.172 0.000 0.800 321 E CB -0.536 29.167 29.700 0.005 0.000 0.758 321 E HN 0.493 nan 8.360 nan 0.000 0.448 322 H N 1.093 120.031 119.070 -0.219 0.000 2.330 322 H HA -0.227 4.329 4.556 0.001 0.000 0.290 322 H C 2.206 177.350 175.328 -0.307 0.000 1.111 322 H CA 1.839 57.758 56.048 -0.215 0.000 1.226 322 H CB 0.216 29.906 29.762 -0.119 0.000 1.355 322 H HN 0.202 nan 8.280 nan 0.000 0.485 323 E N -0.097 119.934 120.200 -0.282 0.000 2.026 323 E HA -0.266 4.085 4.350 0.001 0.000 0.206 323 E C 2.422 178.721 176.600 -0.502 0.000 1.028 323 E CA 1.134 57.325 56.400 -0.348 0.000 0.845 323 E CB -0.252 29.303 29.700 -0.242 0.000 0.772 323 E HN 0.574 nan 8.360 nan 0.000 0.462 324 A N 1.137 123.456 122.820 -0.835 0.000 1.903 324 A HA -0.320 4.001 4.320 0.001 0.000 0.219 324 A C 2.055 179.026 177.584 -1.022 0.000 1.191 324 A CA 2.162 53.450 52.037 -1.248 0.000 0.638 324 A CB -0.792 17.179 19.000 -1.716 0.000 0.823 324 A HN 0.481 nan 8.150 nan 0.000 0.451 325 E N -0.868 118.591 120.200 -1.235 0.000 2.049 325 E HA -0.266 4.084 4.350 0.001 0.000 0.198 325 E C 2.322 178.692 176.600 -0.383 0.000 1.007 325 E CA 1.232 57.148 56.400 -0.807 0.000 0.809 325 E CB -0.106 29.361 29.700 -0.389 0.000 0.749 325 E HN 0.380 nan 8.360 nan 0.000 0.450 326 R N 0.256 120.515 120.500 -0.403 0.000 2.080 326 R HA -0.134 4.206 4.340 0.001 0.000 0.236 326 R C 2.482 178.619 176.300 -0.271 0.000 1.137 326 R CA 1.308 57.220 56.100 -0.314 0.000 0.943 326 R CB -1.131 28.933 30.300 -0.395 0.000 0.846 326 R HN 0.219 nan 8.270 nan 0.000 0.431 327 V N 0.979 120.708 119.914 -0.308 0.000 2.220 327 V HA -0.268 3.853 4.120 0.001 0.000 0.246 327 V C 2.435 178.292 176.094 -0.395 0.000 1.049 327 V CA 2.584 64.635 62.300 -0.415 0.000 1.003 327 V CB -1.537 30.088 31.823 -0.330 0.000 0.634 327 V HN 0.390 nan 8.190 nan 0.000 0.444 328 T N 0.333 114.734 114.554 -0.255 0.000 2.721 328 T HA -0.205 4.145 4.350 0.001 0.000 0.268 328 T C 1.930 176.543 174.700 -0.145 0.000 1.038 328 T CA 1.705 63.704 62.100 -0.168 0.000 1.145 328 T CB -1.077 67.759 68.868 -0.053 0.000 0.858 328 T HN 0.613 nan 8.240 nan 0.000 0.459 329 G N 1.087 109.806 108.800 -0.135 0.000 2.433 329 G HA2 -0.201 3.760 3.960 0.001 0.000 0.216 329 G HA3 -0.201 3.760 3.960 0.001 0.000 0.216 329 G C 1.459 176.314 174.900 -0.075 0.000 1.186 329 G CA 0.867 45.917 45.100 -0.083 0.000 0.779 329 G HN 0.550 nan 8.290 nan 0.000 0.543 330 E N -0.387 119.747 120.200 -0.109 0.000 2.274 330 E HA 0.077 4.427 4.350 0.001 0.000 0.194 330 E C 2.322 178.922 176.600 0.000 0.000 0.996 330 E CA 0.122 56.499 56.400 -0.039 0.000 0.840 330 E CB -0.144 29.537 29.700 -0.031 0.000 0.772 330 E HN 0.438 nan 8.360 nan 0.000 0.491 331 L N 0.181 121.320 121.223 -0.141 0.000 1.976 331 L HA -0.174 4.167 4.340 0.001 0.000 0.209 331 L C 2.105 178.917 176.870 -0.098 0.000 1.071 331 L CA 1.361 56.107 54.840 -0.156 0.000 0.746 331 L CB -0.206 41.660 42.059 -0.321 0.000 0.890 331 L HN 0.205 nan 8.230 nan 0.000 0.432 332 I N -0.001 120.521 120.570 -0.079 0.000 2.145 332 I HA -0.390 3.780 4.170 0.001 0.000 0.244 332 I C 2.745 178.958 176.117 0.159 0.000 1.075 332 I CA 1.425 62.732 61.300 0.011 0.000 1.332 332 I CB -0.655 37.333 38.000 -0.019 0.000 1.033 332 I HN 0.426 nan 8.210 nan 0.000 0.410 333 A N -0.069 122.833 122.820 0.137 0.000 1.851 333 A HA -0.306 4.015 4.320 0.001 0.000 0.216 333 A C 2.307 180.040 177.584 0.248 0.000 1.195 333 A CA 1.990 54.141 52.037 0.189 0.000 0.622 333 A CB -1.297 17.785 19.000 0.136 0.000 0.831 333 A HN 0.555 nan 8.150 nan 0.000 0.444 334 H N -1.077 118.059 119.070 0.111 0.000 2.261 334 H HA -0.305 4.252 4.556 0.001 0.000 0.290 334 H C 2.175 177.570 175.328 0.111 0.000 1.081 334 H CA 2.500 58.600 56.048 0.087 0.000 1.196 334 H CB -0.610 29.222 29.762 0.116 0.000 1.350 334 H HN 0.731 nan 8.280 nan 0.000 0.498 335 H N 0.039 119.212 119.070 0.172 0.000 2.292 335 H HA -0.220 4.337 4.556 0.001 0.000 0.292 335 H C 2.372 177.743 175.328 0.073 0.000 1.100 335 H CA 2.231 58.334 56.048 0.091 0.000 1.238 335 H CB -0.831 28.950 29.762 0.032 0.000 1.355 335 H HN 0.386 nan 8.280 nan 0.000 0.484 336 F N 1.373 121.386 119.950 0.105 0.000 2.026 336 F HA -0.201 4.326 4.527 0.001 0.000 0.296 336 F C 2.738 178.477 175.800 -0.101 0.000 1.133 336 F CA 1.767 59.769 58.000 0.003 0.000 1.188 336 F CB -1.002 38.038 39.000 0.067 0.000 0.968 336 F HN 0.012 nan 8.300 nan 0.000 0.476 337 V N 1.037 120.891 119.914 -0.100 0.000 2.392 337 V HA -0.321 3.800 4.120 0.001 0.000 0.249 337 V C 1.470 177.383 176.094 -0.302 0.000 1.059 337 V CA 2.203 64.343 62.300 -0.267 0.000 1.051 337 V CB -0.832 30.935 31.823 -0.093 0.000 0.658 337 V HN 0.435 nan 8.190 nan 0.000 0.455 338 N N 0.334 118.844 118.700 -0.317 0.000 2.276 338 N HA 0.048 4.788 4.740 0.001 0.000 0.212 338 N C -0.023 175.303 175.510 -0.307 0.000 1.127 338 N CA -0.062 52.789 53.050 -0.332 0.000 0.834 338 N CB 0.184 38.393 38.487 -0.463 0.000 1.014 338 N HN 0.516 nan 8.380 nan 0.000 0.491 339 K N 0.813 121.001 120.400 -0.353 0.000 3.415 339 K HA -0.205 4.116 4.320 0.001 0.000 0.271 339 K C 0.765 177.195 176.600 -0.284 0.000 0.876 339 K CA 0.761 56.843 56.287 -0.343 0.000 0.670 339 K CB -2.319 30.030 32.500 -0.252 0.000 1.510 339 K HN 0.464 nan 8.250 nan 0.000 0.455 340 T N -2.411 111.954 114.554 -0.314 0.000 2.923 340 T HA 0.395 4.746 4.350 0.001 0.000 0.282 340 T C 0.026 174.715 174.700 -0.019 0.000 1.137 340 T CA -0.525 61.524 62.100 -0.085 0.000 0.958 340 T CB 1.232 70.141 68.868 0.069 0.000 1.961 340 T HN 0.328 nan 8.240 nan 0.000 0.586 341 Q N -0.699 119.219 119.800 0.197 0.000 2.375 341 Q HA 0.405 4.745 4.340 0.001 0.000 0.271 341 Q C -0.289 176.003 176.000 0.487 0.000 1.074 341 Q CA -0.900 55.041 55.803 0.231 0.000 0.808 341 Q CB 1.758 30.591 28.738 0.159 0.000 1.327 341 Q HN 0.634 nan 8.270 nan 0.000 0.441 342 Y N 1.419 121.975 120.300 0.427 0.000 2.348 342 Y HA -0.294 4.256 4.550 0.001 0.000 0.285 342 Y C 1.877 177.997 175.900 0.368 0.000 1.173 342 Y CA 1.725 60.024 58.100 0.331 0.000 1.263 342 Y CB -0.281 38.259 38.460 0.133 0.000 0.974 342 Y HN 0.552 nan 8.280 nan 0.000 0.547 343 K N -1.012 119.653 120.400 0.442 0.000 2.393 343 K HA 0.005 4.325 4.320 0.001 0.000 0.193 343 K C 0.616 177.400 176.600 0.306 0.000 1.026 343 K CA 0.958 57.443 56.287 0.330 0.000 1.064 343 K CB 0.067 32.717 32.500 0.251 0.000 0.833 343 K HN 0.037 nan 8.250 nan 0.000 0.521 344 D N 0.507 121.084 120.400 0.294 0.000 2.347 344 D HA -0.029 4.612 4.640 0.001 0.000 0.215 344 D C -0.374 175.936 176.300 0.016 0.000 0.976 344 D CA 0.709 54.790 54.000 0.134 0.000 0.884 344 D CB -0.019 40.858 40.800 0.129 0.000 0.915 344 D HN 0.226 nan 8.370 nan 0.000 0.526 345 Y N 0.100 120.561 120.300 0.268 0.000 2.387 345 Y HA 0.568 5.119 4.550 0.001 0.000 0.330 345 Y C 0.357 176.181 175.900 -0.125 0.000 1.133 345 Y CA -1.111 57.080 58.100 0.151 0.000 1.152 345 Y CB 1.648 40.240 38.460 0.220 0.000 1.215 345 Y HN -0.237 nan 8.280 nan 0.000 0.466 346 A N 3.332 126.064 122.820 -0.146 0.000 2.486 346 A HA 0.815 5.135 4.320 0.001 0.000 0.300 346 A C -1.438 176.007 177.584 -0.231 0.000 1.048 346 A CA -0.658 51.082 52.037 -0.494 0.000 0.696 346 A CB 1.019 19.169 19.000 -1.416 0.000 1.278 346 A HN 0.729 nan 8.150 nan 0.000 0.405 347 I N 2.882 123.290 120.570 -0.270 0.000 2.410 347 I HA 0.361 4.531 4.170 0.001 0.000 0.286 347 I C -0.988 174.887 176.117 -0.402 0.000 1.009 347 I CA -0.292 60.845 61.300 -0.270 0.000 1.111 347 I CB 1.421 39.176 38.000 -0.408 0.000 1.262 347 I HN 0.502 nan 8.210 nan 0.000 0.443 348 L N 7.215 128.228 121.223 -0.349 0.000 2.346 348 L HA 0.622 4.963 4.340 0.001 0.000 0.274 348 L C -0.986 175.673 176.870 -0.353 0.000 1.007 348 L CA -0.941 53.612 54.840 -0.478 0.000 0.818 348 L CB 1.414 43.311 42.059 -0.270 0.000 1.284 348 L HN 0.465 nan 8.230 nan 0.000 0.424 349 Y N -0.587 119.647 120.300 -0.110 0.000 2.669 349 Y HA 0.627 5.177 4.550 0.001 0.000 0.335 349 Y C 0.448 176.307 175.900 -0.069 0.000 1.116 349 Y CA -1.340 56.687 58.100 -0.121 0.000 1.081 349 Y CB 0.645 38.994 38.460 -0.185 0.000 1.297 349 Y HN 0.260 nan 8.280 nan 0.000 0.484 350 R N 0.828 121.418 120.500 0.150 0.000 2.048 350 R HA 0.269 4.610 4.340 0.001 0.000 0.224 350 R C 0.567 176.921 176.300 0.090 0.000 1.163 350 R CA 1.183 57.345 56.100 0.102 0.000 0.956 350 R CB -0.652 29.682 30.300 0.057 0.000 0.849 350 R HN 1.061 nan 8.270 nan 0.000 0.435 351 G N -0.120 108.676 108.800 -0.006 0.000 2.488 351 G HA2 0.130 4.090 3.960 0.001 0.000 0.318 351 G HA3 0.130 4.090 3.960 0.001 0.000 0.318 351 G C 0.307 175.116 174.900 -0.151 0.000 1.188 351 G CA -0.536 44.522 45.100 -0.071 0.000 0.944 351 G HN 0.278 nan 8.290 nan 0.000 0.495 352 N N -0.285 118.381 118.700 -0.056 0.000 2.396 352 N HA -0.123 4.617 4.740 0.001 0.000 0.180 352 N C 1.845 177.228 175.510 -0.212 0.000 1.028 352 N CA 1.032 54.034 53.050 -0.081 0.000 0.893 352 N CB -0.103 38.416 38.487 0.054 0.000 0.967 352 N HN 0.772 nan 8.380 nan 0.000 0.440 353 H N 0.335 119.336 119.070 -0.115 0.000 2.395 353 H HA 0.039 4.595 4.556 0.001 0.000 0.299 353 H C 1.273 176.481 175.328 -0.200 0.000 1.070 353 H CA 0.657 56.641 56.048 -0.106 0.000 1.356 353 H CB -0.494 29.254 29.762 -0.023 0.000 1.401 353 H HN 0.150 nan 8.280 nan 0.000 0.524 354 Q N 1.338 120.689 119.800 -0.748 0.000 2.389 354 Q HA -0.149 4.191 4.340 0.001 0.000 0.213 354 Q C 2.530 178.291 176.000 -0.398 0.000 0.989 354 Q CA 1.978 57.472 55.803 -0.515 0.000 0.891 354 Q CB 0.041 28.435 28.738 -0.573 0.000 0.923 354 Q HN 0.694 nan 8.270 nan 0.000 0.455 355 S N -0.069 115.251 115.700 -0.634 0.000 2.345 355 S HA -0.196 4.274 4.470 0.001 0.000 0.219 355 S C 1.782 176.320 174.600 -0.103 0.000 1.031 355 S CA 0.784 58.734 58.200 -0.417 0.000 0.984 355 S CB -0.302 62.635 63.200 -0.438 0.000 0.874 355 S HN 0.230 nan 8.310 nan 0.000 0.451 356 R N 1.468 121.917 120.500 -0.084 0.000 2.224 356 R HA -0.153 4.187 4.340 0.001 0.000 0.251 356 R C 2.152 178.411 176.300 -0.068 0.000 1.123 356 R CA 2.317 58.399 56.100 -0.030 0.000 0.944 356 R CB -1.565 28.755 30.300 0.032 0.000 0.910 356 R HN 0.365 nan 8.270 nan 0.000 0.440 357 V N -0.186 119.666 119.914 -0.104 0.000 2.490 357 V HA -0.179 3.941 4.120 0.001 0.000 0.250 357 V C 1.903 177.813 176.094 -0.307 0.000 1.061 357 V CA 2.061 64.241 62.300 -0.200 0.000 1.064 357 V CB -0.459 31.209 31.823 -0.258 0.000 0.670 357 V HN 0.374 nan 8.190 nan 0.000 0.461 358 F N 0.396 120.234 119.950 -0.188 0.000 2.146 358 F HA -0.107 4.421 4.527 0.001 0.000 0.298 358 F C 2.429 178.097 175.800 -0.220 0.000 1.096 358 F CA 1.879 59.757 58.000 -0.204 0.000 1.275 358 F CB -0.538 38.321 39.000 -0.236 0.000 1.008 358 F HN 0.164 nan 8.300 nan 0.000 0.480 359 E N 0.398 120.541 120.200 -0.096 0.000 2.187 359 E HA -0.320 4.030 4.350 0.001 0.000 0.199 359 E C 2.098 178.665 176.600 -0.056 0.000 1.004 359 E CA 1.527 57.826 56.400 -0.168 0.000 0.813 359 E CB -0.072 29.618 29.700 -0.016 0.000 0.736 359 E HN 0.356 nan 8.360 nan 0.000 0.468 360 K N 0.103 120.316 120.400 -0.312 0.000 1.964 360 K HA -0.177 4.143 4.320 0.001 0.000 0.218 360 K C 1.780 178.189 176.600 -0.318 0.000 1.043 360 K CA 1.734 57.639 56.287 -0.637 0.000 0.966 360 K CB -0.378 31.488 32.500 -1.057 0.000 0.739 360 K HN -0.059 nan 8.250 nan 0.000 0.443 361 F N 1.805 121.534 119.950 -0.369 0.000 2.045 361 F HA -0.289 4.238 4.527 0.001 0.000 0.297 361 F C 2.265 177.970 175.800 -0.158 0.000 1.114 361 F CA 1.596 59.446 58.000 -0.251 0.000 1.207 361 F CB -1.011 37.838 39.000 -0.251 0.000 0.964 361 F HN 0.111 nan 8.300 nan 0.000 0.486 362 L N -0.715 120.553 121.223 0.075 0.000 1.991 362 L HA -0.339 4.002 4.340 0.001 0.000 0.221 362 L C 2.671 179.593 176.870 0.086 0.000 1.079 362 L CA 2.071 56.950 54.840 0.065 0.000 0.778 362 L CB -0.758 41.330 42.059 0.048 0.000 0.893 362 L HN 0.308 nan 8.230 nan 0.000 0.437 363 M N -0.139 119.557 119.600 0.159 0.000 2.086 363 M HA -0.234 4.247 4.480 0.001 0.000 0.261 363 M C 2.085 178.344 176.300 -0.068 0.000 1.067 363 M CA 1.813 57.139 55.300 0.043 0.000 1.116 363 M CB -0.909 31.679 32.600 -0.020 0.000 1.348 363 M HN 0.307 nan 8.290 nan 0.000 0.407 364 Q N 0.370 120.101 119.800 -0.115 0.000 2.443 364 Q HA -0.080 4.260 4.340 0.001 0.000 0.213 364 Q C 0.202 176.113 176.000 -0.148 0.000 0.982 364 Q CA 0.914 56.614 55.803 -0.171 0.000 0.894 364 Q CB -0.236 28.294 28.738 -0.347 0.000 0.947 364 Q HN 0.693 nan 8.270 nan 0.000 0.480 365 N N 0.675 119.308 118.700 -0.112 0.000 2.416 365 N HA 0.056 4.797 4.740 0.001 0.000 0.267 365 N C -0.790 174.652 175.510 -0.112 0.000 1.294 365 N CA -0.135 52.853 53.050 -0.103 0.000 0.891 365 N CB 0.659 39.097 38.487 -0.080 0.000 1.238 365 N HN 0.167 nan 8.380 nan 0.000 0.508 366 R N 0.089 120.520 120.500 -0.116 0.000 3.460 366 R HA -0.184 4.156 4.340 0.001 0.000 0.254 366 R C -0.831 175.353 176.300 -0.193 0.000 1.028 366 R CA 0.798 56.819 56.100 -0.131 0.000 0.688 366 R CB -2.580 27.659 30.300 -0.102 0.000 1.062 366 R HN 0.182 nan 8.270 nan 0.000 0.463 367 I N 2.901 123.341 120.570 -0.218 0.000 2.304 367 I HA 0.314 4.484 4.170 0.001 0.000 0.291 367 I C -1.383 174.543 176.117 -0.319 0.000 1.018 367 I CA -3.100 57.960 61.300 -0.399 0.000 1.260 367 I CB 1.065 38.892 38.000 -0.288 0.000 1.390 367 I HN 0.075 nan 8.210 nan 0.000 0.475 368 P HA 0.221 nan 4.420 nan 0.000 0.272 368 P C -1.298 175.927 177.300 -0.126 0.000 1.230 368 P CA 0.374 63.294 63.100 -0.300 0.000 0.788 368 P CB 0.856 32.415 31.700 -0.236 0.000 0.949 369 Y N -2.335 117.925 120.300 -0.067 0.000 2.871 369 Y HA 0.703 5.253 4.550 0.001 0.000 0.331 369 Y C -1.537 174.388 175.900 0.042 0.000 1.378 369 Y CA -1.284 56.809 58.100 -0.012 0.000 1.079 369 Y CB 0.834 39.290 38.460 -0.008 0.000 1.441 369 Y HN 0.163 nan 8.280 nan 0.000 0.446 370 K N 1.437 122.091 120.400 0.423 0.000 2.513 370 K HA 0.426 4.747 4.320 0.001 0.000 0.251 370 K C -1.346 175.437 176.600 0.306 0.000 0.939 370 K CA -0.623 55.846 56.287 0.303 0.000 0.793 370 K CB 2.101 34.711 32.500 0.182 0.000 1.241 370 K HN 0.744 nan 8.250 nan 0.000 0.431 371 I N 3.064 123.815 120.570 0.302 0.000 3.595 371 I HA 0.037 4.207 4.170 0.001 0.000 0.336 371 I C 1.498 177.729 176.117 0.189 0.000 1.402 371 I CA 0.179 61.625 61.300 0.243 0.000 1.223 371 I CB -1.251 36.907 38.000 0.264 0.000 1.455 371 I HN 0.474 nan 8.210 nan 0.000 0.456 372 S N 2.525 118.320 115.700 0.160 0.000 2.425 372 S HA -0.234 4.236 4.470 0.001 0.000 0.256 372 S C 1.548 176.230 174.600 0.137 0.000 1.101 372 S CA 2.002 60.283 58.200 0.135 0.000 1.188 372 S CB -0.458 62.817 63.200 0.124 0.000 1.085 372 S HN 0.720 nan 8.310 nan 0.000 0.439 373 G N 0.869 109.754 108.800 0.142 0.000 2.716 373 G HA2 0.484 4.444 3.960 0.001 0.000 0.296 373 G HA3 0.484 4.444 3.960 0.001 0.000 0.296 373 G C 0.444 175.458 174.900 0.191 0.000 0.811 373 G CA 0.283 45.481 45.100 0.165 0.000 1.758 373 G HN 0.851 nan 8.290 nan 0.000 0.512 374 G N 0.280 109.173 108.800 0.154 0.000 2.341 374 G HA2 0.242 4.203 3.960 0.001 0.000 0.196 374 G HA3 0.242 4.203 3.960 0.001 0.000 0.196 374 G C -0.202 174.776 174.900 0.130 0.000 1.231 374 G CA 0.069 45.252 45.100 0.139 0.000 1.155 374 G HN 1.298 nan 8.290 nan 0.000 0.529 375 T N -0.429 114.202 114.554 0.129 0.000 2.965 375 T HA 0.586 4.936 4.350 0.001 0.000 0.306 375 T C 0.217 175.013 174.700 0.160 0.000 0.991 375 T CA 1.098 63.274 62.100 0.127 0.000 1.001 375 T CB 0.908 69.828 68.868 0.087 0.000 0.984 375 T HN 1.908 nan 8.240 nan 0.000 0.446 376 S N 4.811 120.640 115.700 0.214 0.000 2.629 376 S HA 0.020 4.490 4.470 0.001 0.000 0.302 376 S C 1.299 176.058 174.600 0.265 0.000 1.244 376 S CA -0.257 58.130 58.200 0.311 0.000 1.098 376 S CB -0.732 62.704 63.200 0.395 0.000 0.858 376 S HN 0.706 nan 8.310 nan 0.000 0.502 377 F N 6.277 126.235 119.950 0.013 0.000 2.079 377 F HA -0.259 4.268 4.527 0.001 0.000 0.296 377 F C 1.068 176.731 175.800 -0.228 0.000 1.084 377 F CA 1.986 59.870 58.000 -0.194 0.000 1.236 377 F CB -0.464 38.295 39.000 -0.402 0.000 0.984 377 F HN 0.775 nan 8.300 nan 0.000 0.488 378 F N 0.273 120.461 119.950 0.398 0.000 2.724 378 F HA -0.079 4.449 4.527 0.001 0.000 0.297 378 F C 2.068 177.908 175.800 0.066 0.000 1.200 378 F CA 0.877 59.002 58.000 0.210 0.000 1.468 378 F CB -0.881 38.271 39.000 0.253 0.000 1.116 378 F HN -0.038 nan 8.300 nan 0.000 0.599 379 S N -1.109 114.669 115.700 0.130 0.000 2.566 379 S HA 0.089 4.560 4.470 0.001 0.000 0.234 379 S C 0.666 175.265 174.600 -0.001 0.000 1.075 379 S CA -0.475 57.774 58.200 0.082 0.000 0.926 379 S CB 0.009 63.263 63.200 0.090 0.000 0.811 379 S HN 0.179 nan 8.310 nan 0.000 0.518 380 R N 2.482 122.938 120.500 -0.073 0.000 3.563 380 R HA -0.060 4.280 4.340 0.001 0.000 0.297 380 R C -2.119 174.120 176.300 -0.102 0.000 0.645 380 R CA -0.331 55.696 56.100 -0.121 0.000 1.048 380 R CB -0.906 29.247 30.300 -0.244 0.000 0.914 380 R HN 0.212 nan 8.270 nan 0.000 0.358 381 P HA -0.376 nan 4.420 nan 0.000 0.225 381 P C 1.298 178.621 177.300 0.039 0.000 1.154 381 P CA 1.968 65.079 63.100 0.019 0.000 0.933 381 P CB 0.037 31.764 31.700 0.044 0.000 0.790 382 E N -0.769 119.461 120.200 0.051 0.000 2.114 382 E HA -0.208 4.142 4.350 0.001 0.000 0.199 382 E C 1.821 178.365 176.600 -0.093 0.000 1.008 382 E CA 1.595 58.075 56.400 0.133 0.000 0.810 382 E CB -1.285 28.489 29.700 0.122 0.000 0.739 382 E HN 0.247 nan 8.360 nan 0.000 0.456 383 I N 0.840 121.295 120.570 -0.193 0.000 2.716 383 I HA -0.041 4.129 4.170 0.001 0.000 0.259 383 I C 2.330 178.381 176.117 -0.110 0.000 1.172 383 I CA 0.533 61.688 61.300 -0.243 0.000 1.478 383 I CB -0.791 36.946 38.000 -0.439 0.000 1.104 383 I HN 0.022 nan 8.210 nan 0.000 0.439 384 K N 1.325 121.691 120.400 -0.057 0.000 2.026 384 K HA -0.158 4.163 4.320 0.001 0.000 0.208 384 K C 1.582 178.174 176.600 -0.012 0.000 1.048 384 K CA 1.406 57.697 56.287 0.006 0.000 0.929 384 K CB -0.287 32.229 32.500 0.027 0.000 0.713 384 K HN 0.247 nan 8.250 nan 0.000 0.439 385 D N 1.309 121.683 120.400 -0.044 0.000 2.095 385 D HA -0.211 4.430 4.640 0.001 0.000 0.192 385 D C 1.880 178.037 176.300 -0.238 0.000 0.990 385 D CA 0.639 54.575 54.000 -0.106 0.000 0.836 385 D CB -0.598 40.169 40.800 -0.055 0.000 0.979 385 D HN 0.017 nan 8.370 nan 0.000 0.447 386 L N 0.609 121.603 121.223 -0.382 0.000 2.034 386 L HA -0.230 4.110 4.340 0.001 0.000 0.217 386 L C 2.309 179.124 176.870 -0.092 0.000 1.077 386 L CA 1.482 56.106 54.840 -0.360 0.000 0.769 386 L CB -0.805 41.059 42.059 -0.324 0.000 0.890 386 L HN 0.079 nan 8.230 nan 0.000 0.435 387 L N 0.248 121.463 121.223 -0.014 0.000 1.956 387 L HA -0.209 4.131 4.340 0.001 0.000 0.216 387 L C 2.882 179.820 176.870 0.113 0.000 1.073 387 L CA 2.452 57.356 54.840 0.107 0.000 0.762 387 L CB -1.384 40.751 42.059 0.127 0.000 0.889 387 L HN 0.372 nan 8.230 nan 0.000 0.433 388 A N -1.691 121.181 122.820 0.086 0.000 1.915 388 A HA -0.321 4.000 4.320 0.001 0.000 0.220 388 A C 2.233 179.941 177.584 0.207 0.000 1.198 388 A CA 2.219 54.330 52.037 0.124 0.000 0.647 388 A CB -1.120 17.947 19.000 0.113 0.000 0.825 388 A HN 0.485 nan 8.150 nan 0.000 0.456 389 Y N -0.076 120.233 120.300 0.015 0.000 2.053 389 Y HA -0.215 4.335 4.550 0.001 0.000 0.277 389 Y C 2.492 178.377 175.900 -0.025 0.000 1.159 389 Y CA 1.047 59.148 58.100 0.002 0.000 1.125 389 Y CB -0.909 37.559 38.460 0.014 0.000 0.969 389 Y HN 0.163 nan 8.280 nan 0.000 0.492 390 L N -0.228 121.121 121.223 0.211 0.000 2.043 390 L HA -0.302 4.038 4.340 0.001 0.000 0.212 390 L C 2.588 179.493 176.870 0.057 0.000 1.075 390 L CA 1.980 56.889 54.840 0.115 0.000 0.752 390 L CB -0.988 41.166 42.059 0.159 0.000 0.891 390 L HN 0.289 nan 8.230 nan 0.000 0.432 391 R N -0.007 120.538 120.500 0.076 0.000 2.073 391 R HA -0.146 4.195 4.340 0.001 0.000 0.234 391 R C 2.276 178.572 176.300 -0.007 0.000 1.134 391 R CA 1.509 57.632 56.100 0.040 0.000 0.952 391 R CB -0.236 30.101 30.300 0.062 0.000 0.850 391 R HN 0.150 nan 8.270 nan 0.000 0.433 392 V N 1.745 121.652 119.914 -0.011 0.000 2.214 392 V HA -0.313 3.807 4.120 0.001 0.000 0.247 392 V C 2.587 178.562 176.094 -0.198 0.000 1.051 392 V CA 2.099 64.335 62.300 -0.108 0.000 1.003 392 V CB -0.545 31.200 31.823 -0.131 0.000 0.635 392 V HN 0.306 nan 8.190 nan 0.000 0.447 393 L N 0.198 121.299 121.223 -0.202 0.000 1.997 393 L HA -0.332 4.008 4.340 0.001 0.000 0.227 393 L C 2.777 179.556 176.870 -0.153 0.000 1.087 393 L CA 3.057 57.769 54.840 -0.212 0.000 0.797 393 L CB -1.255 40.715 42.059 -0.149 0.000 0.902 393 L HN 0.667 nan 8.230 nan 0.000 0.441 394 T N -3.853 110.642 114.554 -0.098 0.000 2.849 394 T HA -0.182 4.168 4.350 0.001 0.000 0.270 394 T C 0.775 175.428 174.700 -0.079 0.000 1.066 394 T CA 1.482 63.535 62.100 -0.079 0.000 1.130 394 T CB -0.438 68.395 68.868 -0.059 0.000 0.864 394 T HN 0.330 nan 8.240 nan 0.000 0.481 395 N N 1.113 119.760 118.700 -0.088 0.000 2.653 395 N HA 0.354 5.094 4.740 0.001 0.000 0.261 395 N C -2.941 172.509 175.510 -0.100 0.000 1.216 395 N CA -1.298 51.707 53.050 -0.075 0.000 0.784 395 N CB 2.143 40.603 38.487 -0.046 0.000 1.327 395 N HN -0.075 nan 8.380 nan 0.000 0.539 396 P HA 0.067 nan 4.420 nan 0.000 0.252 396 P C -0.667 176.593 177.300 -0.067 0.000 1.265 396 P CA 0.801 63.813 63.100 -0.147 0.000 0.775 396 P CB 0.233 31.875 31.700 -0.097 0.000 1.128 397 D N -1.742 118.630 120.400 -0.048 0.000 2.398 397 D HA -0.025 4.616 4.640 0.001 0.000 0.210 397 D C -0.123 176.173 176.300 -0.007 0.000 1.094 397 D CA 0.115 54.100 54.000 -0.025 0.000 0.839 397 D CB -0.194 40.593 40.800 -0.022 0.000 0.963 397 D HN 0.247 nan 8.370 nan 0.000 0.506 398 D N 0.284 120.682 120.400 -0.003 0.000 2.619 398 D HA 0.021 4.662 4.640 0.001 0.000 0.224 398 D C 0.559 176.902 176.300 0.072 0.000 1.133 398 D CA -0.273 53.744 54.000 0.029 0.000 1.017 398 D CB 0.354 41.169 40.800 0.026 0.000 1.077 398 D HN -0.068 nan 8.370 nan 0.000 0.503 399 D N 0.905 121.351 120.400 0.076 0.000 2.203 399 D HA -0.280 4.361 4.640 0.001 0.000 0.199 399 D C 1.885 178.279 176.300 0.157 0.000 0.997 399 D CA 1.703 55.781 54.000 0.130 0.000 0.863 399 D CB 0.065 40.924 40.800 0.100 0.000 0.928 399 D HN 0.530 nan 8.370 nan 0.000 0.458 400 S N 1.762 117.526 115.700 0.108 0.000 2.389 400 S HA -0.275 4.195 4.470 0.001 0.000 0.229 400 S C 2.311 176.979 174.600 0.113 0.000 1.048 400 S CA 1.878 60.135 58.200 0.096 0.000 1.117 400 S CB -0.714 62.529 63.200 0.071 0.000 1.020 400 S HN 0.321 nan 8.310 nan 0.000 0.430 401 A N 1.176 124.066 122.820 0.116 0.000 1.858 401 A HA 0.040 4.360 4.320 0.001 0.000 0.216 401 A C 2.069 179.758 177.584 0.175 0.000 1.190 401 A CA 1.701 53.815 52.037 0.128 0.000 0.617 401 A CB -1.271 17.794 19.000 0.109 0.000 0.827 401 A HN 0.583 nan 8.150 nan 0.000 0.443 402 F N 0.230 120.215 119.950 0.058 0.000 2.069 402 F HA -0.170 4.357 4.527 0.001 0.000 0.298 402 F C 2.023 177.901 175.800 0.130 0.000 1.113 402 F CA 1.837 59.892 58.000 0.092 0.000 1.214 402 F CB -0.417 38.628 39.000 0.074 0.000 0.978 402 F HN 0.176 nan 8.300 nan 0.000 0.474 403 L N -0.048 121.328 121.223 0.254 0.000 2.103 403 L HA -0.319 4.021 4.340 0.001 0.000 0.215 403 L C 2.606 179.491 176.870 0.025 0.000 1.080 403 L CA 1.340 56.262 54.840 0.138 0.000 0.764 403 L CB -0.360 41.788 42.059 0.147 0.000 0.890 403 L HN 0.143 nan 8.230 nan 0.000 0.435 404 R N -0.135 120.392 120.500 0.044 0.000 2.075 404 R HA -0.014 4.326 4.340 0.001 0.000 0.226 404 R C 2.014 178.311 176.300 -0.005 0.000 1.114 404 R CA 1.557 57.673 56.100 0.027 0.000 0.972 404 R CB -0.665 29.669 30.300 0.056 0.000 0.869 404 R HN 0.577 nan 8.270 nan 0.000 0.437 405 I N -0.457 120.128 120.570 0.024 0.000 3.419 405 I HA -0.036 4.135 4.170 0.001 0.000 0.286 405 I C 1.892 177.979 176.117 -0.050 0.000 1.268 405 I CA 0.239 61.610 61.300 0.119 0.000 1.414 405 I CB -0.451 37.842 38.000 0.488 0.000 1.074 405 I HN -0.208 nan 8.210 nan 0.000 0.457 406 V N 1.637 121.353 119.914 -0.330 0.000 2.250 406 V HA -0.420 3.701 4.120 0.001 0.000 0.250 406 V C 2.015 177.715 176.094 -0.656 0.000 1.039 406 V CA 2.955 64.918 62.300 -0.562 0.000 1.042 406 V CB -1.689 29.882 31.823 -0.419 0.000 0.673 406 V HN 0.650 nan 8.190 nan 0.000 0.477 407 N N -1.061 117.387 118.700 -0.420 0.000 2.294 407 N HA 0.033 4.773 4.740 0.001 0.000 0.186 407 N C 1.586 176.863 175.510 -0.388 0.000 1.107 407 N CA 0.690 53.497 53.050 -0.405 0.000 0.884 407 N CB 0.226 38.574 38.487 -0.231 0.000 1.030 407 N HN 0.641 nan 8.380 nan 0.000 0.482 408 T N 1.313 115.675 114.554 -0.320 0.000 2.653 408 T HA -0.126 4.225 4.350 0.001 0.000 0.268 408 T C -1.159 172.982 174.700 -0.932 0.000 1.035 408 T CA 1.315 63.187 62.100 -0.381 0.000 1.154 408 T CB -1.283 67.484 68.868 -0.168 0.000 0.862 408 T HN 0.325 nan 8.240 nan 0.000 0.441 409 P HA 0.009 nan 4.420 nan 0.000 0.231 409 P C 0.335 177.000 177.300 -1.059 0.000 1.158 409 P CA 1.136 63.626 63.100 -1.017 0.000 0.763 409 P CB -0.193 31.339 31.700 -0.281 0.000 0.805 410 K N -1.240 118.692 120.400 -0.780 0.000 2.962 410 K HA -0.051 4.270 4.320 0.001 0.000 0.222 410 K C 0.131 176.609 176.600 -0.204 0.000 1.243 410 K CA -0.158 55.946 56.287 -0.305 0.000 0.685 410 K CB -0.671 31.857 32.500 0.046 0.000 1.927 410 K HN -0.004 nan 8.250 nan 0.000 0.552 411 R N 0.700 121.027 120.500 -0.288 0.000 2.515 411 R HA 0.319 4.659 4.340 0.001 0.000 0.209 411 R C 0.303 176.521 176.300 -0.136 0.000 1.255 411 R CA 0.117 56.076 56.100 -0.236 0.000 1.006 411 R CB -0.411 29.670 30.300 -0.364 0.000 1.839 411 R HN 0.448 nan 8.270 nan 0.000 0.514 412 E N 0.184 120.322 120.200 -0.103 0.000 3.105 412 E HA 0.279 4.629 4.350 0.001 0.000 0.198 412 E C -0.616 175.967 176.600 -0.028 0.000 0.976 412 E CA -0.203 56.168 56.400 -0.048 0.000 1.219 412 E CB 0.089 29.777 29.700 -0.021 0.000 1.081 412 E HN 0.168 nan 8.360 nan 0.000 0.464 413 I N 2.602 123.140 120.570 -0.052 0.000 2.278 413 I HA 0.109 4.280 4.170 0.001 0.000 0.300 413 I C 1.173 177.291 176.117 0.003 0.000 1.174 413 I CA 0.029 61.323 61.300 -0.010 0.000 1.347 413 I CB 0.094 38.083 38.000 -0.019 0.000 1.473 413 I HN 0.141 nan 8.210 nan 0.000 0.595 414 G N 7.184 115.997 108.800 0.022 0.000 2.771 414 G HA2 0.064 4.024 3.960 0.001 0.000 0.242 414 G HA3 0.064 4.024 3.960 0.001 0.000 0.242 414 G C -1.094 173.830 174.900 0.041 0.000 1.233 414 G CA -0.606 44.510 45.100 0.027 0.000 0.858 414 G HN 0.470 nan 8.290 nan 0.000 0.591 415 P HA -0.129 nan 4.420 nan 0.000 0.218 415 P C 1.763 179.100 177.300 0.062 0.000 1.149 415 P CA 1.756 64.885 63.100 0.048 0.000 0.817 415 P CB 0.137 31.861 31.700 0.040 0.000 0.785 416 A N 1.118 123.972 122.820 0.058 0.000 1.832 416 A HA -0.157 4.163 4.320 0.001 0.000 0.214 416 A C 2.440 180.076 177.584 0.086 0.000 1.200 416 A CA 3.022 55.097 52.037 0.063 0.000 0.610 416 A CB -2.091 16.941 19.000 0.053 0.000 0.842 416 A HN 0.359 nan 8.150 nan 0.000 0.444 417 T N -1.903 112.708 114.554 0.094 0.000 2.918 417 T HA -0.119 4.231 4.350 0.001 0.000 0.271 417 T C 1.576 176.364 174.700 0.146 0.000 1.104 417 T CA 1.694 63.870 62.100 0.127 0.000 1.114 417 T CB -0.351 68.590 68.868 0.122 0.000 0.855 417 T HN 0.302 nan 8.240 nan 0.000 0.518 418 L N -0.784 120.515 121.223 0.126 0.000 2.269 418 L HA 0.412 4.752 4.340 0.001 0.000 0.200 418 L C 2.537 179.492 176.870 0.141 0.000 1.069 418 L CA 0.778 55.706 54.840 0.147 0.000 0.804 418 L CB -0.170 41.961 42.059 0.119 0.000 0.987 418 L HN -0.091 nan 8.230 nan 0.000 0.468 419 K N 0.360 120.827 120.400 0.111 0.000 2.217 419 K HA -0.103 4.217 4.320 0.001 0.000 0.202 419 K C 1.974 178.642 176.600 0.113 0.000 1.051 419 K CA 1.114 57.463 56.287 0.102 0.000 0.952 419 K CB 0.083 32.629 32.500 0.077 0.000 0.736 419 K HN 0.350 nan 8.250 nan 0.000 0.453 420 K N 0.230 120.701 120.400 0.118 0.000 2.167 420 K HA -0.033 4.288 4.320 0.001 0.000 0.203 420 K C 1.868 178.585 176.600 0.194 0.000 1.052 420 K CA 0.319 56.682 56.287 0.127 0.000 0.956 420 K CB 0.011 32.575 32.500 0.107 0.000 0.735 420 K HN 0.008 nan 8.250 nan 0.000 0.451 421 L N 0.749 122.094 121.223 0.204 0.000 2.109 421 L HA -0.026 4.314 4.340 0.001 0.000 0.207 421 L C 2.065 179.055 176.870 0.200 0.000 1.086 421 L CA 1.757 56.733 54.840 0.227 0.000 0.760 421 L CB -1.379 40.803 42.059 0.205 0.000 0.910 421 L HN 0.185 nan 8.230 nan 0.000 0.437 422 G N -0.719 108.186 108.800 0.174 0.000 2.433 422 G HA2 -0.246 3.714 3.960 0.001 0.000 0.216 422 G HA3 -0.246 3.714 3.960 0.001 0.000 0.216 422 G C 1.391 176.389 174.900 0.163 0.000 1.186 422 G CA 0.300 45.489 45.100 0.149 0.000 0.779 422 G HN 0.321 nan 8.290 nan 0.000 0.543 423 E N -0.351 119.953 120.200 0.173 0.000 2.160 423 E HA -0.107 4.243 4.350 0.001 0.000 0.195 423 E C 1.961 178.758 176.600 0.329 0.000 0.991 423 E CA 0.534 57.045 56.400 0.186 0.000 0.810 423 E CB -0.300 29.473 29.700 0.122 0.000 0.742 423 E HN 0.775 nan 8.360 nan 0.000 0.466 424 W N 0.082 121.411 121.300 0.048 0.000 2.576 424 W HA 0.042 4.702 4.660 0.000 0.000 0.275 424 W C 2.116 178.657 176.519 0.036 0.000 1.241 424 W CA 0.717 58.088 57.345 0.042 0.000 1.328 424 W CB 0.295 29.786 29.460 0.052 0.000 1.092 424 W HN 0.071 nan 8.180 nan 0.000 0.586 425 A N 0.529 123.450 122.820 0.169 0.000 1.930 425 A HA -0.233 4.087 4.320 0.001 0.000 0.217 425 A C 1.775 179.371 177.584 0.021 0.000 1.175 425 A CA 1.726 53.769 52.037 0.010 0.000 0.627 425 A CB -0.813 18.205 19.000 0.029 0.000 0.815 425 A HN 0.334 nan 8.150 nan 0.000 0.443 426 M N -0.048 119.612 119.600 0.101 0.000 2.086 426 M HA -0.139 4.341 4.480 0.001 0.000 0.261 426 M C 2.218 178.575 176.300 0.095 0.000 1.067 426 M CA 2.159 57.516 55.300 0.093 0.000 1.116 426 M CB -0.441 32.227 32.600 0.114 0.000 1.348 426 M HN 0.628 nan 8.290 nan 0.000 0.407 427 T N -2.371 112.289 114.554 0.177 0.000 3.043 427 T HA 0.056 4.407 4.350 0.001 0.000 0.263 427 T C 1.664 176.385 174.700 0.035 0.000 1.094 427 T CA 0.466 62.680 62.100 0.191 0.000 1.127 427 T CB -0.246 68.857 68.868 0.392 0.000 0.905 427 T HN 0.338 nan 8.240 nan 0.000 0.490 428 R N 1.122 121.525 120.500 -0.162 0.000 2.317 428 R HA 0.199 4.540 4.340 0.001 0.000 0.208 428 R C -0.303 175.901 176.300 -0.161 0.000 0.914 428 R CA -0.278 55.630 56.100 -0.319 0.000 1.060 428 R CB -0.063 29.870 30.300 -0.612 0.000 1.015 428 R HN 0.230 nan 8.270 nan 0.000 0.498 429 N N 2.706 121.360 118.700 -0.077 0.000 2.584 429 N HA -0.189 4.551 4.740 0.001 0.000 0.291 429 N C -0.849 174.628 175.510 -0.055 0.000 1.203 429 N CA 1.470 54.495 53.050 -0.042 0.000 0.735 429 N CB -0.356 38.116 38.487 -0.025 0.000 0.936 429 N HN 0.456 nan 8.380 nan 0.000 0.549 430 K N -2.404 117.967 120.400 -0.048 0.000 2.597 430 K HA 0.438 4.759 4.320 0.001 0.000 0.278 430 K C -0.605 175.973 176.600 -0.038 0.000 0.984 430 K CA -0.738 55.518 56.287 -0.051 0.000 0.775 430 K CB 0.721 33.173 32.500 -0.080 0.000 1.465 430 K HN 0.066 nan 8.250 nan 0.000 0.351 431 S N -0.472 115.198 115.700 -0.049 0.000 2.632 431 S HA 0.317 4.787 4.470 0.001 0.000 0.271 431 S C 1.341 175.888 174.600 -0.088 0.000 1.260 431 S CA -0.643 57.528 58.200 -0.048 0.000 1.010 431 S CB 0.570 63.740 63.200 -0.049 0.000 0.965 431 S HN 0.576 nan 8.310 nan 0.000 0.534 432 M N 2.082 121.628 119.600 -0.091 0.000 2.059 432 M HA -0.039 4.441 4.480 0.001 0.000 0.259 432 M C 1.759 177.826 176.300 -0.387 0.000 1.072 432 M CA 1.898 57.111 55.300 -0.145 0.000 1.117 432 M CB -0.537 32.056 32.600 -0.013 0.000 1.320 432 M HN 0.918 nan 8.290 nan 0.000 0.408 433 F N 1.293 120.698 119.950 -0.908 0.000 2.154 433 F HA -0.304 4.223 4.527 0.001 0.000 0.301 433 F C 2.515 177.933 175.800 -0.638 0.000 1.087 433 F CA 2.294 59.659 58.000 -1.057 0.000 1.274 433 F CB -0.610 37.786 39.000 -1.007 0.000 1.009 433 F HN 0.300 nan 8.300 nan 0.000 0.485 434 T N -1.371 112.992 114.554 -0.319 0.000 2.668 434 T HA -0.088 4.263 4.350 0.001 0.000 0.262 434 T C 2.170 176.717 174.700 -0.255 0.000 1.045 434 T CA 1.061 62.993 62.100 -0.280 0.000 1.152 434 T CB -1.311 67.489 68.868 -0.114 0.000 0.864 434 T HN 0.258 nan 8.240 nan 0.000 0.419 435 A N 2.133 124.838 122.820 -0.192 0.000 2.125 435 A HA 0.044 4.364 4.320 0.001 0.000 0.219 435 A C 2.471 180.001 177.584 -0.090 0.000 1.156 435 A CA 1.644 53.602 52.037 -0.132 0.000 0.671 435 A CB -1.076 17.858 19.000 -0.110 0.000 0.794 435 A HN 0.778 nan 8.150 nan 0.000 0.459 436 S N -2.092 113.484 115.700 -0.207 0.000 2.727 436 S HA 0.131 4.601 4.470 0.001 0.000 0.226 436 S C 0.745 175.352 174.600 0.011 0.000 0.963 436 S CA 0.421 58.523 58.200 -0.163 0.000 0.950 436 S CB -0.473 62.524 63.200 -0.338 0.000 0.779 436 S HN 0.342 nan 8.310 nan 0.000 0.532 437 F N 0.769 120.583 119.950 -0.227 0.000 2.819 437 F HA 0.402 4.930 4.527 0.000 0.000 0.325 437 F C 0.283 176.033 175.800 -0.083 0.000 1.041 437 F CA -1.504 56.383 58.000 -0.189 0.000 1.184 437 F CB -0.317 38.512 39.000 -0.284 0.000 1.019 437 F HN 0.120 nan 8.300 nan 0.000 0.590 438 D N 1.527 121.976 120.400 0.081 0.000 2.487 438 D HA -0.012 4.628 4.640 0.001 0.000 0.243 438 D C 1.570 177.911 176.300 0.069 0.000 1.154 438 D CA 0.386 54.391 54.000 0.008 0.000 0.876 438 D CB 0.950 41.689 40.800 -0.102 0.000 1.161 438 D HN 0.095 nan 8.370 nan 0.000 0.478 439 M N 1.624 121.247 119.600 0.039 0.000 2.549 439 M HA -0.065 4.415 4.480 0.001 0.000 0.260 439 M C 1.783 178.130 176.300 0.079 0.000 1.076 439 M CA 0.727 56.063 55.300 0.061 0.000 1.090 439 M CB 0.095 32.705 32.600 0.017 0.000 1.418 439 M HN 0.412 nan 8.290 nan 0.000 0.486 440 G N -0.376 108.478 108.800 0.092 0.000 2.623 440 G HA2 -0.077 3.884 3.960 0.001 0.000 0.214 440 G HA3 -0.077 3.884 3.960 0.001 0.000 0.214 440 G C 1.320 176.470 174.900 0.416 0.000 1.138 440 G CA -0.066 45.157 45.100 0.206 0.000 0.794 440 G HN 0.247 nan 8.290 nan 0.000 0.535 441 L N 0.902 122.321 121.223 0.326 0.000 2.240 441 L HA 0.093 4.433 4.340 0.001 0.000 0.211 441 L C 2.781 179.811 176.870 0.267 0.000 1.106 441 L CA 1.245 56.397 54.840 0.520 0.000 0.793 441 L CB -0.638 41.658 42.059 0.395 0.000 0.927 441 L HN 0.286 nan 8.230 nan 0.000 0.446 442 S N -0.264 115.461 115.700 0.042 0.000 2.389 442 S HA -0.287 4.183 4.470 0.001 0.000 0.231 442 S C 1.772 176.141 174.600 -0.385 0.000 1.052 442 S CA 1.958 59.848 58.200 -0.517 0.000 1.053 442 S CB 0.087 63.082 63.200 -0.342 0.000 0.886 442 S HN 0.470 nan 8.310 nan 0.000 0.456 443 Q N -0.448 119.274 119.800 -0.129 0.000 2.282 443 Q HA 0.283 4.623 4.340 0.001 0.000 0.206 443 Q C 1.654 177.606 176.000 -0.081 0.000 0.878 443 Q CA 0.477 56.217 55.803 -0.106 0.000 0.944 443 Q CB 0.001 28.692 28.738 -0.078 0.000 1.100 443 Q HN 0.498 nan 8.270 nan 0.000 0.509 444 T N 0.047 114.567 114.554 -0.056 0.000 2.904 444 T HA 0.077 4.427 4.350 0.001 0.000 0.267 444 T C -0.143 174.536 174.700 -0.036 0.000 1.059 444 T CA 0.760 62.784 62.100 -0.126 0.000 1.137 444 T CB 0.052 68.787 68.868 -0.221 0.000 0.879 444 T HN 0.173 nan 8.240 nan 0.000 0.467 445 L N -1.320 119.917 121.223 0.023 0.000 2.493 445 L HA 0.900 5.240 4.340 0.001 0.000 0.265 445 L C -0.434 176.453 176.870 0.028 0.000 0.954 445 L CA -1.141 53.739 54.840 0.066 0.000 0.844 445 L CB 1.442 43.598 42.059 0.160 0.000 1.302 445 L HN -0.134 nan 8.230 nan 0.000 0.405 446 S N 0.848 116.566 115.700 0.029 0.000 3.359 446 S HA 0.993 5.464 4.470 0.001 0.000 0.323 446 S C 0.187 174.844 174.600 0.096 0.000 1.143 446 S CA 0.509 58.717 58.200 0.013 0.000 0.989 446 S CB 0.825 63.975 63.200 -0.083 0.000 1.375 446 S HN 2.384 nan 8.310 nan 0.000 0.728 447 G N 1.525 110.370 108.800 0.074 0.000 2.488 447 G HA2 -0.163 3.797 3.960 0.001 0.000 0.237 447 G HA3 -0.163 3.797 3.960 0.001 0.000 0.237 447 G C 0.177 175.139 174.900 0.103 0.000 1.209 447 G CA 0.313 45.458 45.100 0.075 0.000 0.929 447 G HN 0.683 nan 8.290 nan 0.000 0.578 448 R N 1.143 121.695 120.500 0.087 0.000 2.254 448 R HA 0.139 4.479 4.340 0.001 0.000 0.195 448 R C 2.744 179.103 176.300 0.099 0.000 0.957 448 R CA 1.119 57.269 56.100 0.084 0.000 1.024 448 R CB -0.196 30.137 30.300 0.054 0.000 0.952 448 R HN 0.623 nan 8.270 nan 0.000 0.484 449 G N -0.216 108.654 108.800 0.116 0.000 2.403 449 G HA2 -0.286 3.675 3.960 0.001 0.000 0.216 449 G HA3 -0.286 3.675 3.960 0.001 0.000 0.216 449 G C 1.080 176.080 174.900 0.166 0.000 1.154 449 G CA 0.184 45.358 45.100 0.123 0.000 0.784 449 G HN 0.311 nan 8.290 nan 0.000 0.538 450 Y N 0.517 120.869 120.300 0.087 0.000 2.529 450 Y HA 0.271 4.821 4.550 0.001 0.000 0.290 450 Y C 2.252 178.215 175.900 0.104 0.000 1.177 450 Y CA 0.729 58.892 58.100 0.105 0.000 1.305 450 Y CB 0.363 38.878 38.460 0.092 0.000 1.047 450 Y HN 0.326 nan 8.280 nan 0.000 0.522 451 E N -1.124 119.180 120.200 0.174 0.000 2.472 451 E HA 0.160 4.510 4.350 0.001 0.000 0.196 451 E C 1.572 178.220 176.600 0.080 0.000 1.033 451 E CA 0.622 57.097 56.400 0.125 0.000 0.886 451 E CB 0.279 30.048 29.700 0.116 0.000 0.944 451 E HN 0.456 nan 8.360 nan 0.000 0.492 452 A N 0.161 123.025 122.820 0.073 0.000 2.026 452 A HA 0.154 4.474 4.320 0.001 0.000 0.198 452 A C 1.728 179.385 177.584 0.121 0.000 1.390 452 A CA -0.265 51.814 52.037 0.071 0.000 0.915 452 A CB -0.253 18.768 19.000 0.035 0.000 0.974 452 A HN 0.294 nan 8.150 nan 0.000 0.477 453 L N 0.901 122.185 121.223 0.101 0.000 2.046 453 L HA -0.145 4.195 4.340 0.001 0.000 0.208 453 L C 2.671 179.620 176.870 0.132 0.000 1.077 453 L CA 2.553 57.487 54.840 0.157 0.000 0.747 453 L CB -0.459 41.651 42.059 0.085 0.000 0.896 453 L HN 0.567 nan 8.230 nan 0.000 0.432 454 T N -1.875 112.668 114.554 -0.017 0.000 2.569 454 T HA -0.309 4.042 4.350 0.001 0.000 0.263 454 T C 1.948 176.788 174.700 0.234 0.000 1.074 454 T CA 1.316 63.450 62.100 0.056 0.000 1.176 454 T CB -0.750 68.098 68.868 -0.033 0.000 0.863 454 T HN 0.381 nan 8.240 nan 0.000 0.410 455 R N 0.259 120.873 120.500 0.190 0.000 2.191 455 R HA -0.238 4.102 4.340 0.001 0.000 0.248 455 R C 2.254 178.746 176.300 0.320 0.000 1.127 455 R CA 2.337 58.556 56.100 0.199 0.000 0.943 455 R CB -0.831 29.541 30.300 0.121 0.000 0.891 455 R HN 0.436 nan 8.270 nan 0.000 0.439 456 F N 1.427 121.478 119.950 0.168 0.000 2.014 456 F HA -0.150 4.377 4.527 0.001 0.000 0.295 456 F C 2.343 178.361 175.800 0.364 0.000 1.145 456 F CA 2.345 60.485 58.000 0.234 0.000 1.178 456 F CB -1.080 38.011 39.000 0.152 0.000 0.972 456 F HN 0.016 nan 8.300 nan 0.000 0.476 457 T N -0.075 114.605 114.554 0.210 0.000 2.848 457 T HA -0.280 4.070 4.350 0.001 0.000 0.269 457 T C 1.817 176.525 174.700 0.013 0.000 1.081 457 T CA 1.653 63.767 62.100 0.023 0.000 1.125 457 T CB -0.650 68.025 68.868 -0.322 0.000 0.848 457 T HN 0.468 nan 8.240 nan 0.000 0.503 458 H N -0.682 118.473 119.070 0.140 0.000 2.276 458 H HA -0.078 4.478 4.556 0.001 0.000 0.307 458 H C 2.169 177.608 175.328 0.186 0.000 1.061 458 H CA 1.639 57.839 56.048 0.253 0.000 1.336 458 H CB -0.979 28.940 29.762 0.262 0.000 1.396 458 H HN 0.474 nan 8.280 nan 0.000 0.503 459 W N 1.799 123.287 121.300 0.314 0.000 2.292 459 W HA -0.252 4.409 4.660 0.001 0.000 0.304 459 W C 2.278 178.827 176.519 0.049 0.000 1.228 459 W CA 2.462 59.898 57.345 0.151 0.000 1.241 459 W CB -0.612 28.886 29.460 0.062 0.000 1.142 459 W HN 0.252 nan 8.180 nan 0.000 0.520 460 L N -0.151 121.011 121.223 -0.101 0.000 1.993 460 L HA -0.127 4.213 4.340 0.001 0.000 0.206 460 L C 2.796 179.515 176.870 -0.251 0.000 1.074 460 L CA 1.387 55.984 54.840 -0.406 0.000 0.746 460 L CB -1.762 40.009 42.059 -0.478 0.000 0.896 460 L HN 0.001 nan 8.230 nan 0.000 0.435 461 A N 0.432 123.294 122.820 0.070 0.000 1.948 461 A HA -0.265 4.056 4.320 0.001 0.000 0.220 461 A C 2.283 179.854 177.584 -0.021 0.000 1.177 461 A CA 2.134 54.241 52.037 0.117 0.000 0.636 461 A CB -0.673 18.457 19.000 0.216 0.000 0.815 461 A HN 0.608 nan 8.150 nan 0.000 0.449 462 E N -0.097 120.086 120.200 -0.027 0.000 2.274 462 E HA -0.129 4.221 4.350 0.001 0.000 0.194 462 E C 1.825 178.358 176.600 -0.111 0.000 0.996 462 E CA 1.213 57.592 56.400 -0.035 0.000 0.840 462 E CB -0.298 29.458 29.700 0.094 0.000 0.772 462 E HN 0.664 nan 8.360 nan 0.000 0.491 463 I N 1.106 121.528 120.570 -0.247 0.000 2.339 463 I HA -0.220 3.951 4.170 0.001 0.000 0.245 463 I C 2.955 178.941 176.117 -0.217 0.000 1.096 463 I CA 1.086 62.200 61.300 -0.309 0.000 1.408 463 I CB -0.077 37.556 38.000 -0.612 0.000 1.092 463 I HN 0.163 nan 8.210 nan 0.000 0.423 464 Q N 0.774 120.438 119.800 -0.227 0.000 2.181 464 Q HA -0.270 4.070 4.340 0.001 0.000 0.205 464 Q C 2.199 178.133 176.000 -0.111 0.000 0.980 464 Q CA 1.437 57.134 55.803 -0.177 0.000 0.862 464 Q CB -0.349 28.265 28.738 -0.207 0.000 0.905 464 Q HN 0.399 nan 8.270 nan 0.000 0.429 465 R N 0.271 120.718 120.500 -0.088 0.000 2.096 465 R HA -0.125 4.215 4.340 0.001 0.000 0.229 465 R C 2.500 178.766 176.300 -0.056 0.000 1.134 465 R CA 1.661 57.728 56.100 -0.056 0.000 0.917 465 R CB -0.686 29.589 30.300 -0.042 0.000 0.832 465 R HN 0.400 nan 8.270 nan 0.000 0.430 466 L N 1.032 122.219 121.223 -0.059 0.000 2.043 466 L HA -0.191 4.150 4.340 0.001 0.000 0.212 466 L C 2.175 179.018 176.870 -0.045 0.000 1.075 466 L CA 2.266 57.079 54.840 -0.045 0.000 0.752 466 L CB -1.205 40.830 42.059 -0.040 0.000 0.891 466 L HN 0.303 nan 8.230 nan 0.000 0.432 467 A N -0.530 122.253 122.820 -0.062 0.000 2.093 467 A HA -0.238 4.082 4.320 0.001 0.000 0.222 467 A C 1.945 179.501 177.584 -0.045 0.000 1.162 467 A CA 1.551 53.557 52.037 -0.052 0.000 0.655 467 A CB -0.555 18.404 19.000 -0.069 0.000 0.805 467 A HN 0.538 nan 8.150 nan 0.000 0.461 468 E N -0.418 119.753 120.200 -0.047 0.000 2.273 468 E HA -0.163 4.187 4.350 0.001 0.000 0.198 468 E C 1.802 178.382 176.600 -0.033 0.000 1.002 468 E CA 1.166 57.541 56.400 -0.041 0.000 0.828 468 E CB -0.060 29.617 29.700 -0.039 0.000 0.747 468 E HN 0.787 nan 8.360 nan 0.000 0.491 469 R N -1.187 119.297 120.500 -0.028 0.000 2.646 469 R HA 0.147 4.488 4.340 0.001 0.000 0.226 469 R C 0.138 176.428 176.300 -0.017 0.000 0.928 469 R CA -0.079 56.007 56.100 -0.022 0.000 1.010 469 R CB 0.797 31.087 30.300 -0.018 0.000 1.516 469 R HN -0.152 nan 8.270 nan 0.000 0.621 470 E N 1.068 121.260 120.200 -0.014 0.000 3.406 470 E HA 0.208 4.558 4.350 0.001 0.000 0.210 470 E C -2.329 174.270 176.600 -0.002 0.000 1.167 470 E CA -1.911 54.487 56.400 -0.004 0.000 1.132 470 E CB 1.382 31.085 29.700 0.006 0.000 1.309 470 E HN -0.017 nan 8.360 nan 0.000 0.424 471 P HA -0.235 nan 4.420 nan 0.000 0.212 471 P C 1.877 179.192 177.300 0.025 0.000 1.174 471 P CA 1.254 64.349 63.100 -0.007 0.000 0.934 471 P CB -0.078 31.609 31.700 -0.022 0.000 0.791 472 I N -1.205 119.382 120.570 0.027 0.000 2.093 472 I HA -0.361 3.809 4.170 0.001 0.000 0.239 472 I C 2.000 178.193 176.117 0.126 0.000 1.026 472 I CA 2.809 64.151 61.300 0.070 0.000 1.295 472 I CB -2.218 35.805 38.000 0.038 0.000 1.007 472 I HN -0.070 nan 8.210 nan 0.000 0.401 473 A N 1.755 124.626 122.820 0.085 0.000 1.849 473 A HA -0.127 4.193 4.320 0.001 0.000 0.217 473 A C 2.696 180.325 177.584 0.075 0.000 1.202 473 A CA 3.491 55.578 52.037 0.083 0.000 0.629 473 A CB -1.435 17.596 19.000 0.051 0.000 0.834 473 A HN 0.762 nan 8.150 nan 0.000 0.447 474 A N -0.962 121.880 122.820 0.036 0.000 1.869 474 A HA -0.161 4.159 4.320 0.001 0.000 0.218 474 A C 2.384 179.985 177.584 0.027 0.000 1.203 474 A CA 2.412 54.447 52.037 -0.004 0.000 0.638 474 A CB -1.407 17.569 19.000 -0.039 0.000 0.831 474 A HN 0.878 nan 8.150 nan 0.000 0.450 475 V N 0.265 120.225 119.914 0.078 0.000 2.255 475 V HA -0.297 3.823 4.120 0.001 0.000 0.247 475 V C 2.679 178.880 176.094 0.179 0.000 1.051 475 V CA 2.784 65.168 62.300 0.140 0.000 1.018 475 V CB -0.678 31.264 31.823 0.199 0.000 0.641 475 V HN 0.727 nan 8.190 nan 0.000 0.445 476 R N -0.390 120.236 120.500 0.210 0.000 2.133 476 R HA -0.232 4.108 4.340 0.001 0.000 0.247 476 R C 1.841 178.227 176.300 0.144 0.000 1.151 476 R CA 2.525 58.719 56.100 0.157 0.000 0.971 476 R CB -0.437 29.968 30.300 0.176 0.000 0.866 476 R HN 0.615 nan 8.270 nan 0.000 0.447 477 D N 0.354 120.845 120.400 0.151 0.000 2.162 477 D HA -0.126 4.515 4.640 0.001 0.000 0.203 477 D C 1.749 178.229 176.300 0.300 0.000 0.967 477 D CA 0.580 54.699 54.000 0.198 0.000 0.840 477 D CB -0.250 40.622 40.800 0.120 0.000 0.972 477 D HN 0.173 nan 8.370 nan 0.000 0.482 478 L N 0.643 121.976 121.223 0.182 0.000 2.079 478 L HA -0.108 4.232 4.340 0.001 0.000 0.210 478 L C 1.794 178.990 176.870 0.543 0.000 1.081 478 L CA 1.312 56.313 54.840 0.268 0.000 0.752 478 L CB -0.314 41.836 42.059 0.150 0.000 0.896 478 L HN 0.016 nan 8.230 nan 0.000 0.433 479 I N -1.122 119.641 120.570 0.322 0.000 2.055 479 I HA -0.360 3.810 4.170 0.001 0.000 0.228 479 I C 2.447 178.746 176.117 0.304 0.000 1.050 479 I CA 1.741 63.182 61.300 0.235 0.000 1.326 479 I CB -0.687 37.358 38.000 0.075 0.000 1.077 479 I HN 0.358 nan 8.210 nan 0.000 0.392 480 H N 0.651 119.809 119.070 0.146 0.000 2.489 480 H HA -0.149 4.407 4.556 0.001 0.000 0.295 480 H C 2.073 177.489 175.328 0.148 0.000 1.082 480 H CA 0.929 57.047 56.048 0.117 0.000 1.295 480 H CB -0.012 29.797 29.762 0.078 0.000 1.380 480 H HN 0.473 nan 8.280 nan 0.000 0.548 481 G N 1.490 110.488 108.800 0.330 0.000 2.545 481 G HA2 -0.318 3.642 3.960 0.001 0.000 0.217 481 G HA3 -0.318 3.642 3.960 0.001 0.000 0.217 481 G C 1.710 176.446 174.900 -0.273 0.000 1.218 481 G CA 1.272 46.514 45.100 0.238 0.000 0.787 481 G HN 0.531 nan 8.290 nan 0.000 0.571 482 M N -0.631 118.848 119.600 -0.202 0.000 2.618 482 M HA 0.285 4.765 4.480 0.001 0.000 0.240 482 M C 0.439 176.702 176.300 -0.061 0.000 1.123 482 M CA 1.326 56.495 55.300 -0.219 0.000 1.060 482 M CB -0.215 32.376 32.600 -0.015 0.000 1.535 482 M HN 0.102 nan 8.290 nan 0.000 0.507 483 D N 1.166 121.562 120.400 -0.007 0.000 2.697 483 D HA -0.245 4.396 4.640 0.001 0.000 0.238 483 D C 0.286 176.679 176.300 0.155 0.000 1.152 483 D CA 0.505 54.525 54.000 0.034 0.000 0.666 483 D CB -1.381 39.376 40.800 -0.072 0.000 1.037 483 D HN 0.637 nan 8.370 nan 0.000 0.423 484 Y N 0.398 120.750 120.300 0.087 0.000 2.139 484 Y HA -0.287 4.263 4.550 0.001 0.000 0.282 484 Y C 2.189 178.237 175.900 0.246 0.000 1.179 484 Y CA 2.647 60.833 58.100 0.143 0.000 1.161 484 Y CB -0.111 38.384 38.460 0.059 0.000 0.970 484 Y HN 0.440 nan 8.280 nan 0.000 0.511 485 E N -0.349 120.031 120.200 0.300 0.000 2.055 485 E HA -0.355 3.995 4.350 0.001 0.000 0.209 485 E C 2.405 179.123 176.600 0.198 0.000 1.036 485 E CA 2.566 59.110 56.400 0.240 0.000 0.849 485 E CB -0.419 29.378 29.700 0.162 0.000 0.767 485 E HN 0.581 nan 8.360 nan 0.000 0.461 486 S N 0.879 116.639 115.700 0.099 0.000 2.359 486 S HA -0.219 4.251 4.470 0.001 0.000 0.224 486 S C 2.005 176.655 174.600 0.083 0.000 1.035 486 S CA 1.285 59.513 58.200 0.047 0.000 1.018 486 S CB -1.219 61.987 63.200 0.010 0.000 0.876 486 S HN 0.664 nan 8.310 nan 0.000 0.448 487 W N 2.599 123.832 121.300 -0.112 0.000 2.317 487 W HA -0.200 4.460 4.660 0.001 0.000 0.318 487 W C 1.842 178.228 176.519 -0.221 0.000 1.227 487 W CA 1.605 58.830 57.345 -0.201 0.000 1.269 487 W CB -0.801 28.465 29.460 -0.324 0.000 1.155 487 W HN 0.358 nan 8.180 nan 0.000 0.484 488 L N -0.124 120.934 121.223 -0.275 0.000 1.971 488 L HA -0.327 4.014 4.340 0.001 0.000 0.215 488 L C 2.626 179.332 176.870 -0.274 0.000 1.072 488 L CA 2.121 56.749 54.840 -0.353 0.000 0.758 488 L CB -1.608 40.383 42.059 -0.112 0.000 0.889 488 L HN -0.070 nan 8.230 nan 0.000 0.433 489 Y N 0.605 120.776 120.300 -0.215 0.000 2.228 489 Y HA -0.324 4.226 4.550 0.001 0.000 0.285 489 Y C 2.710 178.479 175.900 -0.218 0.000 1.178 489 Y CA 1.971 59.969 58.100 -0.170 0.000 1.202 489 Y CB -0.436 37.963 38.460 -0.102 0.000 0.974 489 Y HN 0.450 nan 8.280 nan 0.000 0.527 490 E N -0.919 119.183 120.200 -0.164 0.000 2.122 490 E HA -0.111 4.240 4.350 0.001 0.000 0.190 490 E C 1.799 178.170 176.600 -0.381 0.000 0.977 490 E CA 1.526 57.781 56.400 -0.243 0.000 0.820 490 E CB -0.477 29.081 29.700 -0.236 0.000 0.770 490 E HN 0.447 nan 8.360 nan 0.000 0.462 491 T N -1.095 113.094 114.554 -0.609 0.000 2.976 491 T HA 0.053 4.403 4.350 0.001 0.000 0.257 491 T C 1.379 175.850 174.700 -0.382 0.000 1.051 491 T CA 0.275 62.002 62.100 -0.622 0.000 1.141 491 T CB -0.053 68.222 68.868 -0.988 0.000 0.881 491 T HN 0.020 nan 8.240 nan 0.000 0.461 492 S N 2.579 118.069 115.700 -0.350 0.000 2.572 492 S HA 0.283 4.753 4.470 0.001 0.000 0.279 492 S C -1.574 172.898 174.600 -0.213 0.000 1.341 492 S CA -1.303 56.742 58.200 -0.258 0.000 1.043 492 S CB 0.811 63.842 63.200 -0.282 0.000 0.887 492 S HN 0.149 nan 8.310 nan 0.000 0.516 493 P HA -0.013 nan 4.420 nan 0.000 0.206 493 P C -0.144 177.078 177.300 -0.129 0.000 1.085 493 P CA 0.293 63.316 63.100 -0.129 0.000 0.746 493 P CB -0.253 31.385 31.700 -0.102 0.000 0.586 494 S N 0.071 115.703 115.700 -0.113 0.000 2.562 494 S HA 0.086 4.556 4.470 0.001 0.000 0.281 494 S C -1.472 173.030 174.600 -0.163 0.000 1.333 494 S CA -0.788 57.348 58.200 -0.107 0.000 1.052 494 S CB -0.149 63.004 63.200 -0.079 0.000 0.884 494 S HN 0.178 nan 8.310 nan 0.000 0.506 495 P HA -0.240 nan 4.420 nan 0.000 0.215 495 P C 1.331 178.435 177.300 -0.327 0.000 1.157 495 P CA 1.450 64.384 63.100 -0.277 0.000 0.874 495 P CB 0.029 31.678 31.700 -0.084 0.000 0.790 496 K N 0.067 120.366 120.400 -0.168 0.000 2.189 496 K HA -0.210 4.110 4.320 0.001 0.000 0.207 496 K C 2.062 178.569 176.600 -0.154 0.000 1.046 496 K CA 1.757 57.969 56.287 -0.125 0.000 0.928 496 K CB -0.511 31.946 32.500 -0.071 0.000 0.720 496 K HN 0.060 nan 8.250 nan 0.000 0.458 497 A N 0.565 123.277 122.820 -0.181 0.000 1.874 497 A HA 0.039 4.359 4.320 0.001 0.000 0.214 497 A C 2.306 179.749 177.584 -0.235 0.000 1.189 497 A CA 1.383 53.319 52.037 -0.168 0.000 0.615 497 A CB -0.734 18.178 19.000 -0.148 0.000 0.830 497 A HN 0.436 nan 8.150 nan 0.000 0.443 498 A N -0.093 122.497 122.820 -0.383 0.000 1.933 498 A HA -0.205 4.115 4.320 0.001 0.000 0.218 498 A C 2.055 179.358 177.584 -0.469 0.000 1.175 498 A CA 1.837 53.562 52.037 -0.521 0.000 0.628 498 A CB -0.546 17.899 19.000 -0.925 0.000 0.814 498 A HN 0.667 nan 8.150 nan 0.000 0.444 499 E N 0.257 120.174 120.200 -0.470 0.000 2.038 499 E HA -0.293 4.057 4.350 0.001 0.000 0.195 499 E C 2.118 178.675 176.600 -0.071 0.000 1.000 499 E CA 2.121 58.425 56.400 -0.159 0.000 0.803 499 E CB -0.315 29.337 29.700 -0.081 0.000 0.750 499 E HN 0.776 nan 8.360 nan 0.000 0.448 500 M N -0.018 119.526 119.600 -0.093 0.000 2.099 500 M HA -0.086 4.394 4.480 0.001 0.000 0.262 500 M C 2.490 178.753 176.300 -0.063 0.000 1.067 500 M CA 1.821 57.086 55.300 -0.059 0.000 1.124 500 M CB -0.501 32.065 32.600 -0.056 0.000 1.353 500 M HN -0.125 nan 8.290 nan 0.000 0.410 501 R N -0.073 120.375 120.500 -0.087 0.000 2.154 501 R HA -0.202 4.138 4.340 0.001 0.000 0.248 501 R C 2.088 178.380 176.300 -0.013 0.000 1.155 501 R CA 2.291 58.351 56.100 -0.067 0.000 0.979 501 R CB -0.290 29.962 30.300 -0.080 0.000 0.869 501 R HN 0.596 nan 8.270 nan 0.000 0.452 502 M N 0.394 120.000 119.600 0.009 0.000 2.191 502 M HA -0.058 4.422 4.480 0.001 0.000 0.262 502 M C 1.930 178.237 176.300 0.013 0.000 1.083 502 M CA 1.628 56.968 55.300 0.067 0.000 1.154 502 M CB -0.247 32.431 32.600 0.130 0.000 1.344 502 M HN -0.169 nan 8.290 nan 0.000 0.431 503 K N 0.767 121.168 120.400 0.001 0.000 2.077 503 K HA -0.234 4.086 4.320 0.001 0.000 0.213 503 K C 1.728 178.307 176.600 -0.036 0.000 1.051 503 K CA 1.959 58.241 56.287 -0.010 0.000 0.929 503 K CB -0.804 31.693 32.500 -0.005 0.000 0.715 503 K HN 0.493 nan 8.250 nan 0.000 0.451 504 N N 0.489 119.151 118.700 -0.062 0.000 2.036 504 N HA -0.161 4.579 4.740 0.001 0.000 0.195 504 N C 1.974 177.395 175.510 -0.148 0.000 1.037 504 N CA 1.565 54.542 53.050 -0.123 0.000 0.855 504 N CB -0.642 37.668 38.487 -0.295 0.000 1.033 504 N HN 0.008 nan 8.380 nan 0.000 0.423 505 V N 1.630 121.469 119.914 -0.126 0.000 2.380 505 V HA -0.247 3.873 4.120 0.001 0.000 0.251 505 V C 1.881 177.937 176.094 -0.063 0.000 1.063 505 V CA 1.633 63.866 62.300 -0.111 0.000 1.055 505 V CB -0.759 31.020 31.823 -0.073 0.000 0.657 505 V HN 0.284 nan 8.190 nan 0.000 0.455 506 N N -0.150 118.517 118.700 -0.055 0.000 2.062 506 N HA -0.196 4.544 4.740 0.001 0.000 0.191 506 N C 1.887 177.442 175.510 0.076 0.000 1.042 506 N CA 1.619 54.663 53.050 -0.009 0.000 0.845 506 N CB -0.341 38.131 38.487 -0.025 0.000 1.024 506 N HN 0.573 nan 8.380 nan 0.000 0.424 507 Q N 0.041 119.778 119.800 -0.107 0.000 2.065 507 Q HA -0.260 4.080 4.340 0.001 0.000 0.213 507 Q C 1.919 177.497 176.000 -0.703 0.000 1.012 507 Q CA 1.855 57.409 55.803 -0.415 0.000 0.876 507 Q CB -0.385 28.076 28.738 -0.462 0.000 0.954 507 Q HN 0.332 nan 8.270 nan 0.000 0.413 508 L N 0.415 121.369 121.223 -0.448 0.000 1.971 508 L HA -0.197 4.143 4.340 0.001 0.000 0.215 508 L C 2.158 179.017 176.870 -0.017 0.000 1.072 508 L CA 2.420 57.064 54.840 -0.328 0.000 0.758 508 L CB -1.416 40.570 42.059 -0.121 0.000 0.889 508 L HN 0.544 nan 8.230 nan 0.000 0.433 509 F N 0.583 120.491 119.950 -0.070 0.000 2.065 509 F HA -0.305 4.222 4.527 0.001 0.000 0.298 509 F C 2.796 178.645 175.800 0.081 0.000 1.112 509 F CA 2.649 60.677 58.000 0.047 0.000 1.212 509 F CB -1.354 37.654 39.000 0.013 0.000 0.975 509 F HN 0.341 nan 8.300 nan 0.000 0.476 510 S N 0.224 115.874 115.700 -0.084 0.000 2.383 510 S HA -0.245 4.225 4.470 0.001 0.000 0.229 510 S C 1.966 176.557 174.600 -0.015 0.000 1.030 510 S CA 1.322 59.373 58.200 -0.248 0.000 1.002 510 S CB -1.332 61.904 63.200 0.060 0.000 0.829 510 S HN 0.604 nan 8.310 nan 0.000 0.467 511 W N 1.732 123.015 121.300 -0.028 0.000 2.322 511 W HA 0.051 4.711 4.660 0.001 0.000 0.326 511 W C 2.768 179.330 176.519 0.073 0.000 1.224 511 W CA 0.645 58.000 57.345 0.017 0.000 1.257 511 W CB -1.567 27.930 29.460 0.061 0.000 1.174 511 W HN 0.330 nan 8.180 nan 0.000 0.460 512 M N 0.212 120.146 119.600 0.556 0.000 2.153 512 M HA -0.289 4.192 4.480 0.001 0.000 0.253 512 M C 1.575 177.898 176.300 0.038 0.000 1.081 512 M CA 2.507 58.044 55.300 0.395 0.000 1.076 512 M CB -0.742 32.142 32.600 0.474 0.000 1.350 512 M HN -0.026 nan 8.290 nan 0.000 0.401 513 T N 0.623 115.107 114.554 -0.118 0.000 2.668 513 T HA -0.151 4.200 4.350 0.001 0.000 0.262 513 T C 1.442 176.077 174.700 -0.109 0.000 1.045 513 T CA 1.795 63.768 62.100 -0.212 0.000 1.152 513 T CB -0.384 68.224 68.868 -0.434 0.000 0.864 513 T HN 0.540 nan 8.240 nan 0.000 0.419 514 E N 0.916 121.075 120.200 -0.068 0.000 2.147 514 E HA -0.200 4.151 4.350 0.001 0.000 0.199 514 E C 2.191 178.753 176.600 -0.063 0.000 1.005 514 E CA 1.327 57.698 56.400 -0.049 0.000 0.810 514 E CB -0.350 29.336 29.700 -0.024 0.000 0.736 514 E HN 0.519 nan 8.360 nan 0.000 0.460 515 M N 0.123 119.687 119.600 -0.059 0.000 2.132 515 M HA -0.146 4.335 4.480 0.001 0.000 0.263 515 M C 2.308 178.552 176.300 -0.093 0.000 1.065 515 M CA 1.299 56.546 55.300 -0.088 0.000 1.122 515 M CB -0.181 32.361 32.600 -0.096 0.000 1.365 515 M HN 0.082 nan 8.290 nan 0.000 0.411 516 L N -0.324 120.847 121.223 -0.088 0.000 2.156 516 L HA -0.140 4.201 4.340 0.001 0.000 0.208 516 L C 2.303 179.131 176.870 -0.068 0.000 1.095 516 L CA 1.093 55.884 54.840 -0.083 0.000 0.770 516 L CB -0.496 41.516 42.059 -0.078 0.000 0.914 516 L HN 0.300 nan 8.230 nan 0.000 0.439 517 E N 0.031 120.191 120.200 -0.067 0.000 2.208 517 E HA 0.011 4.362 4.350 0.001 0.000 0.193 517 E C 1.244 177.813 176.600 -0.052 0.000 0.988 517 E CA 0.498 56.866 56.400 -0.054 0.000 0.828 517 E CB -0.037 29.632 29.700 -0.051 0.000 0.763 517 E HN 0.476 nan 8.360 nan 0.000 0.478 518 G N 1.073 109.836 108.800 -0.061 0.000 2.697 518 G HA2 -0.253 3.708 3.960 0.001 0.000 0.240 518 G HA3 -0.253 3.708 3.960 0.001 0.000 0.240 518 G C -0.111 174.758 174.900 -0.051 0.000 1.346 518 G CA -0.005 45.059 45.100 -0.060 0.000 0.887 518 G HN 0.551 nan 8.290 nan 0.000 0.569 519 S N -2.289 113.384 115.700 -0.045 0.000 2.661 519 S HA 0.629 5.099 4.470 0.001 0.000 0.268 519 S C 0.789 175.371 174.600 -0.030 0.000 1.162 519 S CA 0.809 58.987 58.200 -0.036 0.000 0.817 519 S CB 1.250 64.428 63.200 -0.037 0.000 1.141 519 S HN 1.748 nan 8.310 nan 0.000 0.477 520 E N 0.026 120.211 120.200 -0.024 0.000 2.136 520 E HA -0.226 4.124 4.350 0.001 0.000 0.208 520 E C 1.263 177.851 176.600 -0.020 0.000 1.035 520 E CA 2.764 59.152 56.400 -0.019 0.000 0.838 520 E CB -0.437 29.253 29.700 -0.016 0.000 0.748 520 E HN 0.628 nan 8.360 nan 0.000 0.459 521 L N -0.381 120.829 121.223 -0.022 0.000 2.642 521 L HA 0.210 4.551 4.340 0.001 0.000 0.233 521 L C -0.090 176.761 176.870 -0.031 0.000 1.077 521 L CA -0.125 54.701 54.840 -0.022 0.000 0.879 521 L CB 0.377 42.427 42.059 -0.015 0.000 1.151 521 L HN -0.118 nan 8.230 nan 0.000 0.495 522 D N 2.140 122.517 120.400 -0.038 0.000 2.380 522 D HA 0.102 4.743 4.640 0.001 0.000 0.230 522 D C -0.043 176.227 176.300 -0.051 0.000 1.154 522 D CA -0.041 53.929 54.000 -0.050 0.000 0.859 522 D CB 1.070 41.832 40.800 -0.064 0.000 1.045 522 D HN 0.140 nan 8.370 nan 0.000 0.495 523 E N 3.273 123.444 120.200 -0.049 0.000 2.415 523 E HA 0.054 4.404 4.350 0.001 0.000 0.263 523 E C -1.791 174.774 176.600 -0.058 0.000 0.995 523 E CA -1.183 55.189 56.400 -0.048 0.000 0.915 523 E CB 0.770 30.444 29.700 -0.044 0.000 0.951 523 E HN 0.263 nan 8.360 nan 0.000 0.449 524 P HA -0.099 nan 4.420 nan 0.000 0.269 524 P C -0.523 176.734 177.300 -0.072 0.000 1.205 524 P CA 0.665 63.726 63.100 -0.064 0.000 0.780 524 P CB 0.577 32.244 31.700 -0.055 0.000 0.858 525 M N 0.700 120.248 119.600 -0.085 0.000 2.436 525 M HA 0.255 4.736 4.480 0.001 0.000 0.331 525 M C 0.805 177.048 176.300 -0.094 0.000 1.135 525 M CA -0.713 54.528 55.300 -0.097 0.000 0.987 525 M CB 1.973 34.497 32.600 -0.127 0.000 1.687 525 M HN 0.347 nan 8.290 nan 0.000 0.445 526 T N -0.496 114.004 114.554 -0.090 0.000 2.926 526 T HA 0.147 4.497 4.350 0.001 0.000 0.307 526 T C 0.873 175.511 174.700 -0.103 0.000 1.059 526 T CA -0.655 61.396 62.100 -0.083 0.000 1.122 526 T CB 0.907 69.731 68.868 -0.074 0.000 0.972 526 T HN 0.659 nan 8.240 nan 0.000 0.545 527 L N 2.500 123.668 121.223 -0.092 0.000 2.127 527 L HA -0.051 4.289 4.340 0.001 0.000 0.211 527 L C 2.939 179.736 176.870 -0.121 0.000 1.089 527 L CA 2.478 57.255 54.840 -0.105 0.000 0.757 527 L CB -1.024 40.990 42.059 -0.074 0.000 0.899 527 L HN 1.097 nan 8.230 nan 0.000 0.434 528 T N -1.330 113.165 114.554 -0.100 0.000 2.720 528 T HA -0.281 4.069 4.350 0.001 0.000 0.268 528 T C 1.785 176.413 174.700 -0.120 0.000 1.037 528 T CA 1.890 63.933 62.100 -0.096 0.000 1.144 528 T CB -0.258 68.564 68.868 -0.075 0.000 0.864 528 T HN 0.731 nan 8.240 nan 0.000 0.444 529 Q N 0.254 119.976 119.800 -0.130 0.000 2.020 529 Q HA -0.006 4.335 4.340 0.001 0.000 0.198 529 Q C 2.415 178.278 176.000 -0.228 0.000 0.974 529 Q CA 1.531 57.245 55.803 -0.149 0.000 0.829 529 Q CB -0.924 27.738 28.738 -0.127 0.000 0.894 529 Q HN 0.449 nan 8.270 nan 0.000 0.433 530 V N 1.593 121.342 119.914 -0.275 0.000 2.363 530 V HA -0.285 3.836 4.120 0.001 0.000 0.254 530 V C 2.406 178.074 176.094 -0.711 0.000 1.074 530 V CA 1.709 63.725 62.300 -0.473 0.000 1.069 530 V CB -0.625 30.962 31.823 -0.393 0.000 0.659 530 V HN 0.220 nan 8.190 nan 0.000 0.455 531 V N 0.599 120.270 119.914 -0.405 0.000 2.221 531 V HA -0.268 3.853 4.120 0.001 0.000 0.242 531 V C 2.881 178.866 176.094 -0.181 0.000 1.041 531 V CA 2.735 64.873 62.300 -0.269 0.000 0.995 531 V CB -1.018 30.744 31.823 -0.103 0.000 0.635 531 V HN 0.855 nan 8.190 nan 0.000 0.448 532 T N -0.973 113.501 114.554 -0.133 0.000 2.718 532 T HA -0.384 3.967 4.350 0.001 0.000 0.266 532 T C 1.896 176.537 174.700 -0.098 0.000 1.033 532 T CA 2.095 64.141 62.100 -0.090 0.000 1.151 532 T CB -0.440 68.376 68.868 -0.086 0.000 0.853 532 T HN 0.242 nan 8.240 nan 0.000 0.466 533 R N 0.615 121.018 120.500 -0.162 0.000 2.096 533 R HA 0.073 4.413 4.340 0.001 0.000 0.229 533 R C 2.236 178.521 176.300 -0.026 0.000 1.134 533 R CA 1.711 57.729 56.100 -0.137 0.000 0.917 533 R CB -1.415 28.760 30.300 -0.209 0.000 0.832 533 R HN 0.453 nan 8.270 nan 0.000 0.430 534 F N 0.709 120.593 119.950 -0.110 0.000 2.045 534 F HA -0.324 4.204 4.527 0.001 0.000 0.297 534 F C 2.617 178.308 175.800 -0.182 0.000 1.114 534 F CA 1.929 59.841 58.000 -0.146 0.000 1.207 534 F CB -1.978 37.054 39.000 0.053 0.000 0.964 534 F HN 0.307 nan 8.300 nan 0.000 0.486 535 T N -0.356 114.271 114.554 0.122 0.000 2.665 535 T HA -0.260 4.090 4.350 0.001 0.000 0.268 535 T C 2.188 176.874 174.700 -0.023 0.000 1.035 535 T CA 1.862 63.990 62.100 0.046 0.000 1.151 535 T CB -1.060 67.831 68.868 0.037 0.000 0.862 535 T HN 0.326 nan 8.240 nan 0.000 0.438 536 L N 1.389 122.577 121.223 -0.059 0.000 2.151 536 L HA -0.296 4.045 4.340 0.001 0.000 0.219 536 L C 3.559 180.367 176.870 -0.103 0.000 1.083 536 L CA 2.384 57.174 54.840 -0.083 0.000 0.782 536 L CB -1.422 40.570 42.059 -0.112 0.000 0.891 536 L HN 0.560 nan 8.230 nan 0.000 0.439 537 R N 0.457 120.867 120.500 -0.149 0.000 2.103 537 R HA -0.143 4.197 4.340 0.001 0.000 0.234 537 R C 1.415 177.683 176.300 -0.053 0.000 1.132 537 R CA 2.078 58.088 56.100 -0.150 0.000 0.925 537 R CB -2.264 27.934 30.300 -0.170 0.000 0.842 537 R HN 0.547 nan 8.270 nan 0.000 0.430 548 E N 1.577 121.805 120.200 0.048 0.000 3.105 548 E HA 0.336 4.687 4.350 0.001 0.000 0.219 548 E C -0.655 175.980 176.600 0.059 0.000 1.064 548 E CA -0.125 56.304 56.400 0.049 0.000 1.342 548 E CB 0.400 30.123 29.700 0.039 0.000 1.295 548 E HN 0.425 nan 8.360 nan 0.000 0.438 549 L N 1.225 122.491 121.223 0.071 0.000 2.365 549 L HA 0.416 4.757 4.340 0.001 0.000 0.273 549 L C -0.799 176.142 176.870 0.119 0.000 1.000 549 L CA -0.638 54.253 54.840 0.085 0.000 0.819 549 L CB 1.942 44.041 42.059 0.067 0.000 1.284 549 L HN 0.132 nan 8.230 nan 0.000 0.418 550 D N 3.719 124.209 120.400 0.150 0.000 2.317 550 D HA 0.459 5.100 4.640 0.001 0.000 0.252 550 D C -0.862 175.589 176.300 0.252 0.000 1.174 550 D CA 0.453 54.587 54.000 0.222 0.000 0.866 550 D CB 0.606 41.559 40.800 0.254 0.000 1.127 550 D HN 0.507 nan 8.370 nan 0.000 0.467 551 Q N 0.817 120.771 119.800 0.256 0.000 2.646 551 Q HA 0.266 4.606 4.340 0.001 0.000 0.260 551 Q C -1.343 174.786 176.000 0.214 0.000 0.975 551 Q CA -1.017 54.902 55.803 0.194 0.000 0.936 551 Q CB 0.472 29.270 28.738 0.100 0.000 1.591 551 Q HN 0.053 nan 8.270 nan 0.000 0.412 552 V N 2.010 122.035 119.914 0.185 0.000 2.458 552 V HA -0.026 4.094 4.120 0.001 0.000 0.287 552 V C 0.231 176.384 176.094 0.098 0.000 1.009 552 V CA 0.295 62.696 62.300 0.168 0.000 1.091 552 V CB 0.380 32.267 31.823 0.106 0.000 0.960 552 V HN 0.670 nan 8.190 nan 0.000 0.476 553 Q N 4.202 124.005 119.800 0.005 0.000 2.271 553 Q HA 0.387 4.728 4.340 0.001 0.000 0.273 553 Q C -0.672 175.233 176.000 -0.159 0.000 1.051 553 Q CA 0.524 56.280 55.803 -0.080 0.000 0.901 553 Q CB 0.794 29.369 28.738 -0.272 0.000 1.174 553 Q HN 0.723 nan 8.270 nan 0.000 0.385 554 L N 6.415 127.601 121.223 -0.063 0.000 2.415 554 L HA 0.595 4.936 4.340 0.001 0.000 0.268 554 L C -1.135 175.705 176.870 -0.050 0.000 0.984 554 L CA -0.212 54.572 54.840 -0.092 0.000 0.853 554 L CB 0.445 42.479 42.059 -0.041 0.000 1.215 554 L HN 0.840 nan 8.230 nan 0.000 0.419 555 M N 2.022 121.443 119.600 -0.299 0.000 3.008 555 M HA 0.505 4.985 4.480 0.001 0.000 0.271 555 M C -0.975 174.797 176.300 -0.880 0.000 1.265 555 M CA -0.596 54.518 55.300 -0.311 0.000 0.817 555 M CB 1.912 34.456 32.600 -0.092 0.000 1.638 555 M HN 0.385 nan 8.290 nan 0.000 0.479 556 T N -0.524 113.769 114.554 -0.435 0.000 2.849 556 T HA 0.448 4.798 4.350 0.001 0.000 0.284 556 T C 1.245 175.849 174.700 -0.160 0.000 1.004 556 T CA -0.747 61.151 62.100 -0.337 0.000 1.021 556 T CB 1.042 69.967 68.868 0.095 0.000 1.013 556 T HN 0.656 nan 8.240 nan 0.000 0.527 557 L N 0.237 121.412 121.223 -0.080 0.000 2.013 557 L HA -0.153 4.187 4.340 0.001 0.000 0.212 557 L C 2.821 179.689 176.870 -0.003 0.000 1.073 557 L CA 1.796 56.609 54.840 -0.044 0.000 0.753 557 L CB -0.896 41.151 42.059 -0.020 0.000 0.890 557 L HN 0.776 nan 8.230 nan 0.000 0.432 558 H N -0.614 118.460 119.070 0.007 0.000 2.352 558 H HA -0.148 4.408 4.556 0.001 0.000 0.299 558 H C 2.229 177.647 175.328 0.150 0.000 1.097 558 H CA 1.420 57.502 56.048 0.058 0.000 1.311 558 H CB -0.316 29.523 29.762 0.128 0.000 1.377 558 H HN 0.381 nan 8.280 nan 0.000 0.504 559 A N 0.207 123.171 122.820 0.241 0.000 1.940 559 A HA -0.229 4.092 4.320 0.001 0.000 0.219 559 A C 2.496 180.160 177.584 0.133 0.000 1.176 559 A CA 1.997 54.143 52.037 0.181 0.000 0.631 559 A CB -0.861 18.207 19.000 0.114 0.000 0.814 559 A HN 0.552 nan 8.150 nan 0.000 0.446 560 S N -0.187 115.566 115.700 0.088 0.000 2.453 560 S HA -0.086 4.384 4.470 0.001 0.000 0.231 560 S C 1.020 175.649 174.600 0.048 0.000 1.005 560 S CA 0.730 58.986 58.200 0.094 0.000 0.949 560 S CB -0.585 62.667 63.200 0.087 0.000 0.774 560 S HN 0.562 nan 8.310 nan 0.000 0.510 561 K N 1.696 122.117 120.400 0.035 0.000 2.476 561 K HA 0.016 4.337 4.320 0.001 0.000 0.273 561 K C 0.985 177.575 176.600 -0.017 0.000 1.056 561 K CA 1.101 57.390 56.287 0.004 0.000 1.150 561 K CB -0.872 31.664 32.500 0.060 0.000 0.838 561 K HN 0.679 nan 8.250 nan 0.000 0.486 562 G N 3.333 112.098 108.800 -0.058 0.000 2.176 562 G HA2 -0.243 3.717 3.960 0.001 0.000 0.252 562 G HA3 -0.243 3.717 3.960 0.001 0.000 0.252 562 G C -0.241 174.583 174.900 -0.127 0.000 1.024 562 G CA 0.407 45.454 45.100 -0.088 0.000 0.755 562 G HN 0.512 nan 8.290 nan 0.000 0.507 563 L N -0.903 120.220 121.223 -0.167 0.000 2.250 563 L HA 0.923 5.264 4.340 0.001 0.000 0.252 563 L C 0.045 176.644 176.870 -0.452 0.000 1.054 563 L CA -1.081 53.563 54.840 -0.326 0.000 0.856 563 L CB 1.987 43.839 42.059 -0.345 0.000 1.443 563 L HN 0.462 nan 8.230 nan 0.000 0.427 564 E N 0.046 119.751 120.200 -0.826 0.000 2.390 564 E HA 0.615 4.966 4.350 0.001 0.000 0.280 564 E C -1.947 174.065 176.600 -0.980 0.000 0.992 564 E CA -0.701 55.291 56.400 -0.679 0.000 0.790 564 E CB 2.402 31.885 29.700 -0.361 0.000 1.248 564 E HN 0.306 nan 8.360 nan 0.000 0.447 565 F N -0.509 119.353 119.950 -0.147 0.000 2.650 565 F HA 0.338 4.865 4.527 0.001 0.000 0.310 565 F C -2.259 173.370 175.800 -0.286 0.000 1.112 565 F CA -2.045 55.853 58.000 -0.170 0.000 0.986 565 F CB 1.966 40.896 39.000 -0.117 0.000 1.285 565 F HN 0.244 nan 8.300 nan 0.000 0.440 566 P HA -0.129 nan 4.420 nan 0.000 0.216 566 P C -1.098 175.678 177.300 -0.875 0.000 1.150 566 P CA 1.753 64.425 63.100 -0.714 0.000 0.837 566 P CB 0.042 31.096 31.700 -1.077 0.000 0.786 567 Y N -2.634 117.532 120.300 -0.224 0.000 2.354 567 Y HA 0.469 5.019 4.550 0.001 0.000 0.330 567 Y C -0.327 175.351 175.900 -0.370 0.000 1.011 567 Y CA -1.240 56.645 58.100 -0.359 0.000 1.099 567 Y CB 1.364 39.517 38.460 -0.513 0.000 1.179 567 Y HN -0.443 nan 8.280 nan 0.000 0.442 568 V N 3.221 122.952 119.914 -0.306 0.000 2.715 568 V HA 0.435 4.556 4.120 0.001 0.000 0.310 568 V C -1.312 174.472 176.094 -0.518 0.000 1.054 568 V CA -1.222 60.887 62.300 -0.317 0.000 0.928 568 V CB 2.009 33.722 31.823 -0.183 0.000 1.007 568 V HN 0.608 nan 8.190 nan 0.000 0.437 569 Y N 3.250 123.457 120.300 -0.154 0.000 2.526 569 Y HA 0.507 5.057 4.550 0.001 0.000 0.328 569 Y C 0.253 176.068 175.900 -0.141 0.000 0.995 569 Y CA -0.564 57.442 58.100 -0.157 0.000 1.304 569 Y CB 1.391 39.755 38.460 -0.160 0.000 1.096 569 Y HN 0.453 nan 8.280 nan 0.000 0.499 570 M N 5.099 124.719 119.600 0.032 0.000 2.156 570 M HA 0.300 4.781 4.480 0.001 0.000 0.345 570 M C 0.007 176.367 176.300 0.099 0.000 1.398 570 M CA -0.512 54.832 55.300 0.074 0.000 1.148 570 M CB 0.106 32.827 32.600 0.203 0.000 1.663 570 M HN 0.446 nan 8.290 nan 0.000 0.464 571 V N 0.756 120.690 119.914 0.033 0.000 3.109 571 V HA 0.898 5.018 4.120 0.001 0.000 0.317 571 V C 0.827 176.925 176.094 0.008 0.000 1.074 571 V CA -0.328 61.996 62.300 0.041 0.000 1.033 571 V CB 1.045 32.899 31.823 0.052 0.000 1.111 571 V HN 1.057 nan 8.190 nan 0.000 0.458 572 G N 2.304 111.085 108.800 -0.031 0.000 2.367 572 G HA2 -0.168 3.792 3.960 0.001 0.000 0.295 572 G HA3 -0.168 3.792 3.960 0.001 0.000 0.295 572 G C 0.023 174.904 174.900 -0.032 0.000 1.019 572 G CA 0.399 45.423 45.100 -0.127 0.000 1.224 572 G HN 0.772 nan 8.290 nan 0.000 0.510 573 M N 0.660 120.272 119.600 0.020 0.000 3.029 573 M HA 0.228 4.708 4.480 0.001 0.000 0.267 573 M C 0.895 177.224 176.300 0.048 0.000 1.270 573 M CA 0.074 55.392 55.300 0.030 0.000 1.101 573 M CB -0.708 31.895 32.600 0.005 0.000 1.266 573 M HN 0.557 nan 8.290 nan 0.000 0.503 574 E N -0.116 120.141 120.200 0.096 0.000 2.292 574 E HA 0.141 4.492 4.350 0.001 0.000 0.258 574 E C 0.666 177.313 176.600 0.078 0.000 1.115 574 E CA -0.371 56.102 56.400 0.123 0.000 0.929 574 E CB 1.230 31.067 29.700 0.228 0.000 1.161 574 E HN 0.090 nan 8.360 nan 0.000 0.453 575 E N 0.816 121.039 120.200 0.039 0.000 1.998 575 E HA -0.106 4.245 4.350 0.001 0.000 0.195 575 E C 1.932 178.519 176.600 -0.021 0.000 0.994 575 E CA 1.700 58.081 56.400 -0.031 0.000 0.835 575 E CB -0.890 28.790 29.700 -0.032 0.000 0.786 575 E HN 0.657 nan 8.360 nan 0.000 0.467 576 G N -0.108 108.674 108.800 -0.030 0.000 2.663 576 G HA2 -0.331 3.630 3.960 0.001 0.000 0.222 576 G HA3 -0.331 3.630 3.960 0.001 0.000 0.222 576 G C 1.466 176.329 174.900 -0.061 0.000 1.146 576 G CA 1.513 46.562 45.100 -0.086 0.000 0.764 576 G HN 0.210 nan 8.290 nan 0.000 0.608 577 F N -0.323 119.634 119.950 0.013 0.000 1.990 577 F HA 0.073 4.601 4.527 0.001 0.000 0.294 577 F C 2.477 178.244 175.800 -0.055 0.000 1.177 577 F CA 0.957 58.943 58.000 -0.023 0.000 1.167 577 F CB -1.053 37.936 39.000 -0.019 0.000 0.971 577 F HN 0.060 nan 8.300 nan 0.000 0.483 578 L N 0.661 121.978 121.223 0.157 0.000 1.925 578 L HA -0.020 4.321 4.340 0.001 0.000 0.215 578 L C -1.542 175.307 176.870 -0.035 0.000 1.082 578 L CA 1.610 56.479 54.840 0.049 0.000 0.764 578 L CB -2.384 39.678 42.059 0.006 0.000 0.887 578 L HN -0.127 nan 8.230 nan 0.000 0.432 579 P HA -0.016 nan 4.420 nan 0.000 0.263 579 P C -0.856 176.439 177.300 -0.009 0.000 1.345 579 P CA 0.227 63.180 63.100 -0.245 0.000 1.119 579 P CB -0.461 30.980 31.700 -0.432 0.000 1.363 580 H N 3.226 122.267 119.070 -0.049 0.000 3.145 580 H HA -0.049 4.508 4.556 0.001 0.000 0.288 580 H C 1.440 176.729 175.328 -0.064 0.000 0.969 580 H CA 0.523 56.546 56.048 -0.041 0.000 1.444 580 H CB 0.406 30.159 29.762 -0.015 0.000 1.500 580 H HN 0.289 nan 8.280 nan 0.000 0.552 581 Q N 3.502 123.364 119.800 0.103 0.000 2.065 581 Q HA -0.295 4.046 4.340 0.001 0.000 0.213 581 Q C 2.134 177.994 176.000 -0.233 0.000 1.012 581 Q CA 3.024 58.770 55.803 -0.095 0.000 0.876 581 Q CB -0.457 28.227 28.738 -0.091 0.000 0.954 581 Q HN 0.876 nan 8.270 nan 0.000 0.413 582 S N -0.885 114.491 115.700 -0.541 0.000 2.404 582 S HA -0.291 4.180 4.470 0.001 0.000 0.230 582 S C 2.132 176.589 174.600 -0.239 0.000 1.046 582 S CA 1.976 59.912 58.200 -0.440 0.000 1.135 582 S CB -1.240 61.551 63.200 -0.682 0.000 1.056 582 S HN 0.432 nan 8.310 nan 0.000 0.426 583 S N 2.133 117.707 115.700 -0.211 0.000 2.382 583 S HA 0.031 4.501 4.470 0.001 0.000 0.228 583 S C 1.860 176.438 174.600 -0.036 0.000 1.027 583 S CA 1.190 59.355 58.200 -0.059 0.000 0.991 583 S CB -0.662 62.550 63.200 0.020 0.000 0.823 583 S HN 0.403 nan 8.310 nan 0.000 0.469 584 I N 2.457 122.997 120.570 -0.051 0.000 2.091 584 I HA -0.246 3.924 4.170 0.001 0.000 0.240 584 I C 0.344 176.443 176.117 -0.030 0.000 1.046 584 I CA 1.604 62.881 61.300 -0.038 0.000 1.306 584 I CB -1.230 36.740 38.000 -0.050 0.000 1.018 584 I HN 0.445 nan 8.210 nan 0.000 0.404 585 D N 0.305 120.677 120.400 -0.047 0.000 2.564 585 D HA 0.316 4.956 4.640 0.001 0.000 0.226 585 D C 0.302 176.587 176.300 -0.026 0.000 1.149 585 D CA -0.036 53.944 54.000 -0.032 0.000 0.994 585 D CB 0.494 41.273 40.800 -0.034 0.000 1.029 585 D HN 0.333 nan 8.370 nan 0.000 0.517 586 E N 0.233 120.428 120.200 -0.008 0.000 2.195 586 E HA -0.025 4.325 4.350 0.001 0.000 0.153 586 E C -0.228 176.384 176.600 0.020 0.000 0.856 586 E CA -0.149 56.254 56.400 0.005 0.000 1.326 586 E CB 0.274 29.975 29.700 0.002 0.000 1.891 586 E HN 0.211 nan 8.360 nan 0.000 0.660 587 D N 0.449 120.860 120.400 0.018 0.000 2.880 587 D HA -0.216 4.425 4.640 0.001 0.000 0.198 587 D C -0.157 176.168 176.300 0.041 0.000 1.059 587 D CA 1.634 55.651 54.000 0.028 0.000 1.019 587 D CB -0.804 40.013 40.800 0.028 0.000 1.112 587 D HN 0.323 nan 8.370 nan 0.000 0.424 588 N N 0.539 119.266 118.700 0.046 0.000 2.430 588 N HA 0.347 5.087 4.740 0.001 0.000 0.265 588 N C 0.472 176.028 175.510 0.076 0.000 1.100 588 N CA 0.170 53.258 53.050 0.063 0.000 0.961 588 N CB 0.550 39.079 38.487 0.071 0.000 1.075 588 N HN 0.300 nan 8.380 nan 0.000 0.478 589 I N 1.109 121.736 120.570 0.095 0.000 4.578 589 I HA 0.023 4.194 4.170 0.001 0.000 0.312 589 I C 0.633 176.848 176.117 0.164 0.000 1.224 589 I CA -0.167 61.221 61.300 0.146 0.000 1.318 589 I CB 0.121 38.216 38.000 0.157 0.000 1.388 589 I HN 0.403 nan 8.210 nan 0.000 0.461 590 D N 1.673 122.131 120.400 0.097 0.000 2.248 590 D HA -0.330 4.311 4.640 0.001 0.000 0.191 590 D C 1.694 178.014 176.300 0.033 0.000 1.013 590 D CA 2.022 56.044 54.000 0.037 0.000 0.883 590 D CB -0.183 40.626 40.800 0.014 0.000 0.915 590 D HN 0.449 nan 8.370 nan 0.000 0.448 591 E N 0.094 120.340 120.200 0.076 0.000 2.028 591 E HA -0.198 4.152 4.350 0.001 0.000 0.191 591 E C 1.931 178.598 176.600 0.112 0.000 0.988 591 E CA 1.090 57.538 56.400 0.080 0.000 0.799 591 E CB 0.012 29.786 29.700 0.124 0.000 0.755 591 E HN 0.089 nan 8.360 nan 0.000 0.447 592 E N 0.580 120.897 120.200 0.195 0.000 2.097 592 E HA -0.238 4.112 4.350 0.001 0.000 0.196 592 E C 2.040 178.862 176.600 0.369 0.000 1.000 592 E CA 1.468 58.046 56.400 0.297 0.000 0.804 592 E CB -0.082 29.822 29.700 0.339 0.000 0.740 592 E HN 0.133 nan 8.360 nan 0.000 0.454 593 R N -0.114 120.533 120.500 0.245 0.000 2.070 593 R HA -0.102 4.238 4.340 0.001 0.000 0.233 593 R C 2.425 178.597 176.300 -0.213 0.000 1.137 593 R CA 1.631 57.535 56.100 -0.325 0.000 0.945 593 R CB -0.107 29.953 30.300 -0.401 0.000 0.845 593 R HN 0.070 nan 8.270 nan 0.000 0.430 594 R N 0.249 120.681 120.500 -0.114 0.000 2.096 594 R HA -0.206 4.135 4.340 0.001 0.000 0.240 594 R C 2.337 178.636 176.300 -0.003 0.000 1.139 594 R CA 1.737 57.780 56.100 -0.095 0.000 0.952 594 R CB -0.631 29.614 30.300 -0.091 0.000 0.854 594 R HN 0.191 nan 8.270 nan 0.000 0.436 595 L N 0.737 121.960 121.223 -0.001 0.000 1.978 595 L HA -0.263 4.077 4.340 0.001 0.000 0.218 595 L C 2.225 179.111 176.870 0.027 0.000 1.075 595 L CA 2.346 57.175 54.840 -0.018 0.000 0.767 595 L CB -1.022 41.066 42.059 0.048 0.000 0.890 595 L HN 0.209 nan 8.230 nan 0.000 0.434 596 A N -1.370 121.498 122.820 0.080 0.000 1.851 596 A HA -0.341 3.979 4.320 0.001 0.000 0.216 596 A C 2.359 179.960 177.584 0.030 0.000 1.195 596 A CA 2.026 54.105 52.037 0.070 0.000 0.622 596 A CB -1.564 17.472 19.000 0.060 0.000 0.831 596 A HN 0.695 nan 8.150 nan 0.000 0.444 597 Y N 0.811 121.022 120.300 -0.149 0.000 2.228 597 Y HA -0.252 4.298 4.550 0.001 0.000 0.285 597 Y C 2.128 177.977 175.900 -0.085 0.000 1.178 597 Y CA 1.927 59.952 58.100 -0.125 0.000 1.202 597 Y CB -0.381 37.985 38.460 -0.157 0.000 0.974 597 Y HN 0.087 nan 8.280 nan 0.000 0.527 598 V N 0.203 120.162 119.914 0.074 0.000 2.221 598 V HA -0.239 3.882 4.120 0.001 0.000 0.240 598 V C 2.739 178.769 176.094 -0.106 0.000 1.041 598 V CA 1.897 64.173 62.300 -0.040 0.000 0.991 598 V CB -1.687 30.114 31.823 -0.036 0.000 0.634 598 V HN 0.584 nan 8.190 nan 0.000 0.450 599 G N 0.653 109.422 108.800 -0.051 0.000 2.843 599 G HA2 -0.387 3.573 3.960 0.001 0.000 0.232 599 G HA3 -0.387 3.573 3.960 0.001 0.000 0.232 599 G C 1.453 176.327 174.900 -0.043 0.000 1.186 599 G CA 2.063 47.145 45.100 -0.029 0.000 0.766 599 G HN 0.504 nan 8.290 nan 0.000 0.647 600 I N 1.261 121.805 120.570 -0.042 0.000 2.087 600 I HA -0.249 3.921 4.170 0.001 0.000 0.240 600 I C 3.005 179.025 176.117 -0.162 0.000 1.054 600 I CA 2.103 63.367 61.300 -0.060 0.000 1.311 600 I CB -1.123 36.839 38.000 -0.064 0.000 1.024 600 I HN 0.438 nan 8.210 nan 0.000 0.402 601 T N -1.401 112.980 114.554 -0.288 0.000 3.228 601 T HA -0.035 4.316 4.350 0.001 0.000 0.261 601 T C 1.507 176.091 174.700 -0.193 0.000 1.171 601 T CA 0.601 62.523 62.100 -0.296 0.000 1.056 601 T CB -0.240 68.374 68.868 -0.423 0.000 0.938 601 T HN 0.173 nan 8.240 nan 0.000 0.539 602 R N 0.987 121.407 120.500 -0.133 0.000 2.265 602 R HA 0.549 4.889 4.340 0.001 0.000 0.194 602 R C 1.060 177.325 176.300 -0.059 0.000 0.931 602 R CA 0.341 56.389 56.100 -0.087 0.000 1.032 602 R CB -0.232 30.064 30.300 -0.007 0.000 0.980 602 R HN 0.528 nan 8.270 nan 0.000 0.497 603 A N 1.103 123.875 122.820 -0.079 0.000 2.331 603 A HA 0.261 4.581 4.320 0.001 0.000 0.283 603 A C 0.376 177.869 177.584 -0.152 0.000 1.142 603 A CA -0.415 51.560 52.037 -0.102 0.000 0.812 603 A CB 0.552 19.466 19.000 -0.144 0.000 1.074 603 A HN 0.361 nan 8.150 nan 0.000 0.497 604 Q N 1.503 121.192 119.800 -0.185 0.000 2.423 604 Q HA 0.159 4.500 4.340 0.001 0.000 0.231 604 Q C 1.045 176.919 176.000 -0.209 0.000 0.894 604 Q CA 0.389 56.076 55.803 -0.194 0.000 0.938 604 Q CB 0.225 28.849 28.738 -0.191 0.000 1.079 604 Q HN 0.754 nan 8.270 nan 0.000 0.552 605 K N 0.695 120.929 120.400 -0.277 0.000 2.306 605 K HA 0.152 4.472 4.320 0.001 0.000 0.200 605 K C 0.032 176.555 176.600 -0.128 0.000 1.083 605 K CA 0.681 56.836 56.287 -0.220 0.000 0.959 605 K CB 0.811 33.136 32.500 -0.292 0.000 0.994 605 K HN 0.231 nan 8.250 nan 0.000 0.492 606 E N 0.888 121.011 120.200 -0.127 0.000 2.372 606 E HA 0.408 4.759 4.350 0.001 0.000 0.279 606 E C -1.670 174.799 176.600 -0.219 0.000 0.946 606 E CA -0.848 55.485 56.400 -0.113 0.000 0.769 606 E CB 1.951 31.642 29.700 -0.014 0.000 1.230 606 E HN -0.115 nan 8.360 nan 0.000 0.442 607 L N 0.769 121.810 121.223 -0.304 0.000 2.386 607 L HA 0.635 4.976 4.340 0.001 0.000 0.271 607 L C -1.405 175.105 176.870 -0.600 0.000 0.993 607 L CA 0.108 54.680 54.840 -0.447 0.000 0.819 607 L CB 2.536 44.328 42.059 -0.445 0.000 1.294 607 L HN 0.695 nan 8.230 nan 0.000 0.414 608 T N 4.524 118.694 114.554 -0.640 0.000 2.879 608 T HA 0.584 4.934 4.350 0.001 0.000 0.290 608 T C -0.894 173.539 174.700 -0.444 0.000 0.993 608 T CA -0.136 61.634 62.100 -0.550 0.000 0.975 608 T CB 0.563 69.260 68.868 -0.285 0.000 0.981 608 T HN 0.224 nan 8.240 nan 0.000 0.439 609 F N 2.159 122.036 119.950 -0.122 0.000 2.403 609 F HA 0.730 5.257 4.527 0.001 0.000 0.326 609 F C 1.210 176.952 175.800 -0.097 0.000 1.081 609 F CA -0.828 57.105 58.000 -0.111 0.000 1.041 609 F CB 1.351 40.251 39.000 -0.168 0.000 1.234 609 F HN 0.532 nan 8.300 nan 0.000 0.503 610 T N 0.584 115.216 114.554 0.129 0.000 2.923 610 T HA 0.790 5.141 4.350 0.001 0.000 0.311 610 T C -1.188 173.530 174.700 0.030 0.000 1.183 610 T CA -0.918 61.207 62.100 0.041 0.000 1.020 610 T CB 1.500 70.381 68.868 0.022 0.000 1.165 610 T HN 0.792 nan 8.240 nan 0.000 0.482 611 L N -0.853 120.381 121.223 0.017 0.000 2.424 611 L HA 0.956 5.296 4.340 0.001 0.000 0.258 611 L C -0.854 176.030 176.870 0.024 0.000 0.995 611 L CA -1.056 53.801 54.840 0.028 0.000 0.821 611 L CB 1.562 43.661 42.059 0.067 0.000 1.383 611 L HN 0.789 nan 8.230 nan 0.000 0.410 612 C N 1.389 120.704 119.300 0.026 0.000 2.452 612 C HA 0.327 4.788 4.460 0.001 0.000 0.379 612 C C 1.634 176.665 174.990 0.068 0.000 1.275 612 C CA -0.374 58.665 59.018 0.035 0.000 2.056 612 C CB 0.783 28.539 27.740 0.027 0.000 2.506 612 C HN 0.935 nan 8.230 nan 0.000 0.560 613 K N 0.966 121.409 120.400 0.073 0.000 2.365 613 K HA -0.041 4.279 4.320 0.001 0.000 0.199 613 K C 0.647 177.285 176.600 0.063 0.000 1.045 613 K CA 0.988 57.320 56.287 0.075 0.000 0.962 613 K CB 0.164 32.710 32.500 0.076 0.000 0.759 613 K HN 0.869 nan 8.250 nan 0.000 0.469 614 E N 0.027 120.262 120.200 0.058 0.000 2.363 614 E HA 0.277 4.627 4.350 0.001 0.000 0.281 614 E C -1.187 175.446 176.600 0.054 0.000 0.953 614 E CA -1.019 55.411 56.400 0.050 0.000 0.778 614 E CB 1.439 31.160 29.700 0.034 0.000 1.220 614 E HN -0.205 nan 8.360 nan 0.000 0.431 615 R N 1.918 122.450 120.500 0.054 0.000 2.803 615 R HA 0.440 4.781 4.340 0.001 0.000 0.276 615 R C -0.702 175.603 176.300 0.009 0.000 0.978 615 R CA -1.222 54.913 56.100 0.058 0.000 0.939 615 R CB 1.826 32.192 30.300 0.110 0.000 1.179 615 R HN 0.667 nan 8.270 nan 0.000 0.472 616 R N 1.794 122.287 120.500 -0.011 0.000 2.296 616 R HA 0.032 4.373 4.340 0.001 0.000 0.327 616 R C 0.957 177.173 176.300 -0.139 0.000 1.137 616 R CA -0.032 56.042 56.100 -0.044 0.000 1.020 616 R CB 0.450 30.735 30.300 -0.026 0.000 1.110 616 R HN 0.465 nan 8.270 nan 0.000 0.499 617 Q N 3.283 122.994 119.800 -0.148 0.000 1.927 617 Q HA -0.170 4.170 4.340 0.001 0.000 0.210 617 Q C -0.571 175.073 176.000 -0.592 0.000 1.001 617 Q CA 2.113 57.729 55.803 -0.312 0.000 0.862 617 Q CB 0.060 28.751 28.738 -0.078 0.000 0.934 617 Q HN 0.726 nan 8.270 nan 0.000 0.420 618 Y N -1.960 118.338 120.300 -0.004 0.000 2.583 618 Y HA 0.403 4.953 4.550 0.001 0.000 0.303 618 Y C 0.520 176.420 175.900 0.001 0.000 1.108 618 Y CA -0.124 57.973 58.100 -0.005 0.000 1.252 618 Y CB 1.405 39.858 38.460 -0.011 0.000 1.114 618 Y HN 0.398 nan 8.280 nan 0.000 0.594 619 G N 0.765 109.619 108.800 0.090 0.000 2.302 619 G HA2 -0.376 3.585 3.960 0.001 0.000 0.263 619 G HA3 -0.376 3.585 3.960 0.001 0.000 0.263 619 G C 0.331 175.265 174.900 0.056 0.000 0.995 619 G CA 0.599 45.739 45.100 0.067 0.000 0.622 619 G HN 0.522 nan 8.290 nan 0.000 0.538 620 E N 0.953 121.196 120.200 0.072 0.000 2.167 620 E HA 0.568 4.918 4.350 0.001 0.000 0.284 620 E C 0.489 177.104 176.600 0.025 0.000 1.016 620 E CA -0.809 55.625 56.400 0.056 0.000 0.817 620 E CB 0.277 30.028 29.700 0.086 0.000 1.080 620 E HN 0.318 nan 8.360 nan 0.000 0.397 621 L N 5.300 126.534 121.223 0.019 0.000 2.326 621 L HA 0.361 4.701 4.340 0.001 0.000 0.278 621 L C -0.120 176.756 176.870 0.011 0.000 1.092 621 L CA -0.899 53.947 54.840 0.010 0.000 0.810 621 L CB 1.290 43.357 42.059 0.013 0.000 1.153 621 L HN 0.535 nan 8.230 nan 0.000 0.439 622 V N 1.783 121.701 119.914 0.006 0.000 2.628 622 V HA 0.559 4.680 4.120 0.001 0.000 0.306 622 V C -0.389 175.719 176.094 0.022 0.000 1.045 622 V CA -0.983 61.323 62.300 0.010 0.000 0.905 622 V CB 1.928 33.749 31.823 -0.003 0.000 0.997 622 V HN 0.714 nan 8.190 nan 0.000 0.436 623 R N 4.704 125.218 120.500 0.024 0.000 2.369 623 R HA 0.592 4.932 4.340 0.001 0.000 0.310 623 R C -2.512 173.809 176.300 0.036 0.000 1.141 623 R CA -1.490 54.630 56.100 0.033 0.000 1.116 623 R CB 0.385 30.702 30.300 0.029 0.000 1.135 623 R HN 0.690 nan 8.270 nan 0.000 0.529 624 P HA 0.104 nan 4.420 nan 0.000 0.274 624 P C -0.805 176.529 177.300 0.057 0.000 1.237 624 P CA -0.550 62.581 63.100 0.051 0.000 0.793 624 P CB 0.779 32.527 31.700 0.080 0.000 0.977 625 E N 1.483 121.711 120.200 0.048 0.000 2.191 625 E HA 0.358 4.708 4.350 0.001 0.000 0.274 625 E C -2.438 174.199 176.600 0.063 0.000 0.948 625 E CA -2.721 53.710 56.400 0.051 0.000 0.802 625 E CB 0.422 30.139 29.700 0.028 0.000 1.137 625 E HN 0.209 nan 8.360 nan 0.000 0.397 626 P HA -0.115 nan 4.420 nan 0.000 0.257 626 P C -0.874 176.471 177.300 0.075 0.000 1.162 626 P CA 0.402 63.582 63.100 0.133 0.000 0.762 626 P CB 0.391 32.222 31.700 0.219 0.000 0.753 627 S N 4.522 120.239 115.700 0.028 0.000 2.885 627 S HA -0.130 4.340 4.470 0.001 0.000 0.334 627 S C 1.784 176.371 174.600 -0.022 0.000 1.224 627 S CA -0.082 58.065 58.200 -0.088 0.000 1.080 627 S CB -0.038 63.088 63.200 -0.123 0.000 0.801 627 S HN 0.473 nan 8.310 nan 0.000 0.510 628 R N 4.344 124.808 120.500 -0.061 0.000 2.174 628 R HA -0.199 4.142 4.340 0.001 0.000 0.253 628 R C 1.149 177.594 176.300 0.242 0.000 1.165 628 R CA 2.002 58.145 56.100 0.072 0.000 0.984 628 R CB -0.797 29.537 30.300 0.057 0.000 0.873 628 R HN 0.620 nan 8.270 nan 0.000 0.456 629 F N 1.804 121.760 119.950 0.010 0.000 2.063 629 F HA -0.154 4.373 4.527 0.001 0.000 0.298 629 F C 2.493 178.271 175.800 -0.035 0.000 1.109 629 F CA 0.576 58.560 58.000 -0.025 0.000 1.212 629 F CB -1.165 37.796 39.000 -0.064 0.000 0.973 629 F HN -0.045 nan 8.300 nan 0.000 0.480 630 L N -0.683 120.630 121.223 0.150 0.000 2.137 630 L HA -0.278 4.062 4.340 0.001 0.000 0.213 630 L C 2.447 179.549 176.870 0.387 0.000 1.085 630 L CA 0.761 55.677 54.840 0.128 0.000 0.760 630 L CB -0.649 41.555 42.059 0.241 0.000 0.893 630 L HN 0.161 nan 8.230 nan 0.000 0.434 631 L N -0.261 121.138 121.223 0.294 0.000 2.044 631 L HA -0.137 4.204 4.340 0.001 0.000 0.205 631 L C 2.546 179.505 176.870 0.150 0.000 1.075 631 L CA 1.636 56.591 54.840 0.192 0.000 0.747 631 L CB -1.316 40.803 42.059 0.099 0.000 0.903 631 L HN 0.436 nan 8.230 nan 0.000 0.435 632 E N -0.030 120.254 120.200 0.141 0.000 2.333 632 E HA -0.139 4.212 4.350 0.001 0.000 0.198 632 E C 0.677 177.335 176.600 0.096 0.000 1.007 632 E CA 0.040 56.499 56.400 0.100 0.000 0.845 632 E CB -0.166 29.582 29.700 0.079 0.000 0.766 632 E HN 0.164 nan 8.360 nan 0.000 0.507 633 L N 2.252 123.549 121.223 0.124 0.000 2.479 633 L HA 0.047 4.388 4.340 0.001 0.000 0.270 633 L C -2.012 174.948 176.870 0.150 0.000 1.236 633 L CA -1.668 53.249 54.840 0.128 0.000 0.823 633 L CB -0.129 42.017 42.059 0.145 0.000 1.098 633 L HN -0.088 nan 8.230 nan 0.000 0.500 634 P HA 0.052 nan 4.420 nan 0.000 0.273 634 P C -0.322 177.080 177.300 0.170 0.000 1.428 634 P CA -0.354 62.828 63.100 0.137 0.000 0.995 634 P CB 0.705 32.479 31.700 0.123 0.000 1.286 635 Q N 1.698 121.602 119.800 0.173 0.000 2.268 635 Q HA -0.185 4.155 4.340 0.001 0.000 0.210 635 Q C 1.073 177.181 176.000 0.179 0.000 0.988 635 Q CA 1.553 57.479 55.803 0.205 0.000 0.883 635 Q CB -0.440 28.381 28.738 0.138 0.000 0.911 635 Q HN 0.534 nan 8.270 nan 0.000 0.430 636 D N 0.963 121.447 120.400 0.140 0.000 2.178 636 D HA -0.127 4.513 4.640 0.001 0.000 0.201 636 D C 0.651 177.042 176.300 0.151 0.000 0.980 636 D CA 1.057 55.135 54.000 0.128 0.000 0.842 636 D CB -0.001 40.864 40.800 0.108 0.000 0.948 636 D HN 0.369 nan 8.370 nan 0.000 0.472 637 D N -0.067 120.434 120.400 0.168 0.000 2.340 637 D HA 0.042 4.682 4.640 0.001 0.000 0.217 637 D C 0.411 176.795 176.300 0.141 0.000 1.081 637 D CA -0.201 53.897 54.000 0.163 0.000 0.842 637 D CB 0.694 41.591 40.800 0.162 0.000 0.934 637 D HN 0.096 nan 8.370 nan 0.000 0.511 638 L N 1.066 122.402 121.223 0.188 0.000 2.325 638 L HA 0.433 4.774 4.340 0.001 0.000 0.278 638 L C -0.518 176.483 176.870 0.219 0.000 1.023 638 L CA -0.790 54.165 54.840 0.192 0.000 0.811 638 L CB 1.639 43.879 42.059 0.302 0.000 1.249 638 L HN -0.139 nan 8.230 nan 0.000 0.431 639 I N 4.136 124.780 120.570 0.124 0.000 2.697 639 I HA 0.105 4.276 4.170 0.001 0.000 0.279 639 I C -0.500 175.701 176.117 0.140 0.000 1.171 639 I CA -0.613 60.777 61.300 0.150 0.000 1.135 639 I CB 0.387 38.437 38.000 0.083 0.000 1.445 639 I HN 0.474 nan 8.210 nan 0.000 0.541 640 W N 4.641 125.984 121.300 0.072 0.000 2.314 640 W HA -0.030 4.630 4.660 0.001 0.000 0.339 640 W C 1.186 177.738 176.519 0.054 0.000 1.293 640 W CA 0.677 58.064 57.345 0.069 0.000 1.288 640 W CB 0.908 30.406 29.460 0.063 0.000 1.186 640 W HN 0.642 nan 8.180 nan 0.000 0.566 641 E N 2.522 122.825 120.200 0.171 0.000 3.020 641 E HA 0.140 4.490 4.350 0.001 0.000 0.417 641 E C 0.384 177.069 176.600 0.141 0.000 0.583 641 E CA 1.558 58.031 56.400 0.122 0.000 2.559 641 E CB 0.124 29.862 29.700 0.063 0.000 1.719 641 E HN 0.478 nan 8.360 nan 0.000 0.514 642 Q N 0.000 119.871 119.800 0.118 0.000 2.315 642 Q HA 0.000 4.340 4.340 0.001 0.000 0.214 642 Q CA 0.000 55.865 55.803 0.104 0.000 1.022 642 Q CB 0.000 28.787 28.738 0.082 0.000 1.108 642 Q HN 0.000 nan 8.270 nan 0.000 0.481