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 2hwi_1_A DATA FIRST_RESID 1 DATA SEQUENCE HHSYTWTGAL ITPCAAEESK LPINALSNSL LRHHNMVYAT TSRSAGLRQK DATA SEQUENCE KVTFDRLQVL DDHYRDVLKE MKAKASTVKA KLLSVEEACK LTPPHSAKSK DATA SEQUENCE FGYGAKDVRN LSSKAVNHIH SVWKDLLEDT VTPIDTTIMA KNEVFCVQXX DATA SEQUENCE XXXRKPARLI VFPDLGVRVC EKMALYDVVS TLPQVVMGSS YGFQYSPGQR DATA SEQUENCE VEFLVNTWKS KKNPMGFSYD TRCFDSTVTE NDIRVEESIY QCCDLAPEAR DATA SEQUENCE QAIKSLTERL YIGGPLTNSK GQNCGYRRCR ASGVLTTSCG NTLTCYLKAS DATA SEQUENCE AACRAAKLQD CTMLVNGDDL VVICESAGVQ EDAASLRAFT EAMTRYSAPP DATA SEQUENCE GDPPQPEYDL ELITSCSSNV SVAHDASGKR VYYLTRDPTT PLARAAWETA DATA SEQUENCE RHTPVNSWLG NIIMYAPTLW ARMILMTHFF SILLAQEQLE KALDCQIYGA DATA SEQUENCE CYSIEPLDLP QIIERLHGLS AFSLHSYSPG EINRVASCLR KLGVPPLRVW DATA SEQUENCE RHRARSVRAR LLSQGGRAAT CGKYLFNWAV KTKLKLTPIP AASQLDLSGW DATA SEQUENCE FVAGYSGGDI YHSL 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 1 H HA 0.000 nan 4.556 nan 0.000 0.296 1 H C 0.000 175.350 175.328 0.037 0.000 0.993 1 H CA 0.000 56.019 56.048 -0.049 0.000 1.023 1 H CB 0.000 29.753 29.762 -0.014 0.000 1.292 2 H N 0.846 119.915 119.070 -0.002 0.000 2.652 2 H HA 0.069 4.625 4.556 -0.001 0.000 0.349 2 H C 1.327 176.566 175.328 -0.149 0.000 1.099 2 H CA 0.448 56.468 56.048 -0.048 0.000 1.417 2 H CB 1.554 31.299 29.762 -0.027 0.000 1.457 2 H HN 0.342 nan 8.280 nan 0.000 0.568 3 S N 2.825 118.425 115.700 -0.168 0.000 2.399 3 S HA -0.124 4.346 4.470 -0.001 0.000 0.231 3 S C 0.016 174.262 174.600 -0.589 0.000 1.022 3 S CA 0.962 58.912 58.200 -0.417 0.000 0.983 3 S CB 0.067 62.915 63.200 -0.586 0.000 0.803 3 S HN 0.513 nan 8.310 nan 0.000 0.480 4 Y N 0.654 120.831 120.300 -0.205 0.000 2.571 4 Y HA 0.528 5.078 4.550 -0.001 0.000 0.341 4 Y C -0.406 175.227 175.900 -0.444 0.000 1.076 4 Y CA -0.986 56.866 58.100 -0.414 0.000 1.029 4 Y CB 1.996 40.090 38.460 -0.609 0.000 1.308 4 Y HN 0.093 nan 8.280 nan 0.000 0.461 5 T N -1.993 112.318 114.554 -0.404 0.000 2.848 5 T HA 0.639 4.989 4.350 -0.001 0.000 0.285 5 T C -1.277 173.162 174.700 -0.435 0.000 0.995 5 T CA -0.800 61.147 62.100 -0.255 0.000 0.970 5 T CB 0.845 69.681 68.868 -0.052 0.000 0.976 5 T HN 0.513 nan 8.240 nan 0.000 0.441 6 W N 1.290 122.657 121.300 0.112 0.000 2.639 6 W HA 0.504 5.164 4.660 -0.001 0.000 0.347 6 W C 1.470 178.026 176.519 0.061 0.000 1.067 6 W CA -0.801 56.590 57.345 0.075 0.000 1.218 6 W CB 1.853 31.336 29.460 0.039 0.000 1.393 6 W HN 0.862 nan 8.180 nan 0.000 0.557 7 T N -2.627 112.109 114.554 0.303 0.000 3.040 7 T HA 0.344 4.694 4.350 -0.001 0.000 0.252 7 T C 1.372 176.161 174.700 0.149 0.000 1.064 7 T CA 0.867 63.074 62.100 0.178 0.000 1.110 7 T CB 0.102 69.052 68.868 0.137 0.000 0.921 7 T HN 1.113 nan 8.240 nan 0.000 0.480 8 G N 1.251 110.148 108.800 0.162 0.000 2.380 8 G HA2 0.099 4.059 3.960 -0.001 0.000 0.197 8 G HA3 0.099 4.059 3.960 -0.001 0.000 0.197 8 G C 0.357 175.288 174.900 0.053 0.000 1.001 8 G CA -0.174 44.977 45.100 0.086 0.000 0.668 8 G HN 1.020 nan 8.290 nan 0.000 0.483 9 A N 1.238 124.103 122.820 0.075 0.000 2.498 9 A HA 0.631 4.951 4.320 -0.001 0.000 0.239 9 A C 0.804 178.402 177.584 0.024 0.000 1.068 9 A CA 0.244 52.312 52.037 0.051 0.000 0.766 9 A CB 0.135 19.175 19.000 0.067 0.000 1.003 9 A HN 0.820 nan 8.150 nan 0.000 0.497 10 L N 1.817 123.039 121.223 -0.001 0.000 2.439 10 L HA 0.291 4.630 4.340 -0.001 0.000 0.261 10 L C 0.128 176.985 176.870 -0.021 0.000 1.153 10 L CA -0.333 54.486 54.840 -0.034 0.000 0.808 10 L CB 0.650 42.690 42.059 -0.031 0.000 1.126 10 L HN 0.563 nan 8.230 nan 0.000 0.460 11 I N 1.487 122.028 120.570 -0.049 0.000 2.294 11 I HA 0.069 4.239 4.170 -0.001 0.000 0.295 11 I C 0.493 176.607 176.117 -0.005 0.000 1.098 11 I CA -0.166 61.121 61.300 -0.022 0.000 1.277 11 I CB 0.616 38.586 38.000 -0.050 0.000 1.434 11 I HN 0.648 nan 8.210 nan 0.000 0.498 12 T N 5.039 119.600 114.554 0.012 0.000 2.909 12 T HA 0.491 4.840 4.350 -0.001 0.000 0.289 12 T C -2.301 172.416 174.700 0.030 0.000 1.005 12 T CA -1.764 60.347 62.100 0.017 0.000 1.084 12 T CB 1.492 70.371 68.868 0.017 0.000 0.975 12 T HN 0.275 nan 8.240 nan 0.000 0.509 13 P HA 0.288 nan 4.420 nan 0.000 0.278 13 P C 0.086 177.411 177.300 0.042 0.000 1.258 13 P CA -0.758 62.367 63.100 0.041 0.000 0.811 13 P CB 1.176 32.900 31.700 0.040 0.000 1.063 14 C N 0.655 119.984 119.300 0.049 0.000 2.697 14 C HA 0.586 5.045 4.460 -0.001 0.000 0.267 14 C C 0.889 175.902 174.990 0.038 0.000 1.278 14 C CA 0.858 59.903 59.018 0.045 0.000 1.708 14 C CB -1.694 26.079 27.740 0.055 0.000 1.860 14 C HN 0.740 nan 8.230 nan 0.000 0.589 15 A N -0.800 122.044 122.820 0.041 0.000 2.438 15 A HA 0.663 4.983 4.320 -0.001 0.000 0.301 15 A C -0.909 176.703 177.584 0.047 0.000 1.101 15 A CA 0.132 52.194 52.037 0.041 0.000 0.621 15 A CB -0.482 18.544 19.000 0.043 0.000 1.350 15 A HN 0.768 nan 8.150 nan 0.000 0.496 16 A N -0.025 122.825 122.820 0.050 0.000 2.462 16 A HA 0.546 4.866 4.320 -0.001 0.000 0.243 16 A C -0.048 177.581 177.584 0.075 0.000 1.076 16 A CA 0.399 52.471 52.037 0.057 0.000 0.773 16 A CB -0.310 18.723 19.000 0.055 0.000 1.010 16 A HN 0.585 nan 8.150 nan 0.000 0.493 17 E N 1.561 121.810 120.200 0.082 0.000 2.187 17 E HA 0.357 4.707 4.350 -0.001 0.000 0.268 17 E C -1.124 175.559 176.600 0.138 0.000 0.896 17 E CA -0.518 55.944 56.400 0.104 0.000 0.766 17 E CB 1.865 31.616 29.700 0.084 0.000 1.142 17 E HN 0.732 nan 8.360 nan 0.000 0.408 18 E N 1.207 121.531 120.200 0.207 0.000 2.197 18 E HA 0.126 4.476 4.350 -0.001 0.000 0.281 18 E C 0.258 177.071 176.600 0.354 0.000 0.995 18 E CA -0.187 56.376 56.400 0.271 0.000 0.808 18 E CB 1.402 31.307 29.700 0.340 0.000 1.093 18 E HN 0.578 nan 8.360 nan 0.000 0.394 19 S N 2.884 118.762 115.700 0.296 0.000 2.502 19 S HA 0.075 4.545 4.470 -0.001 0.000 0.228 19 S C 0.716 175.562 174.600 0.411 0.000 1.061 19 S CA -0.039 58.350 58.200 0.315 0.000 0.935 19 S CB 0.240 63.571 63.200 0.218 0.000 0.809 19 S HN 0.222 nan 8.310 nan 0.000 0.510 20 K N 1.315 121.895 120.400 0.299 0.000 2.185 20 K HA 0.341 4.661 4.320 -0.001 0.000 0.271 20 K C -0.716 175.964 176.600 0.134 0.000 1.013 20 K CA -0.638 55.788 56.287 0.232 0.000 0.943 20 K CB 0.817 33.388 32.500 0.119 0.000 0.998 20 K HN 0.252 nan 8.250 nan 0.000 0.468 21 L N 5.496 126.784 121.223 0.107 0.000 2.534 21 L HA 0.119 4.459 4.340 -0.001 0.000 0.271 21 L C -2.382 174.239 176.870 -0.415 0.000 1.178 21 L CA -0.950 53.763 54.840 -0.212 0.000 0.907 21 L CB 0.059 42.136 42.059 0.030 0.000 1.164 21 L HN 0.408 nan 8.230 nan 0.000 0.482 22 P HA 0.217 nan 4.420 nan 0.000 0.271 22 P C -1.011 176.060 177.300 -0.382 0.000 1.216 22 P CA 0.010 62.811 63.100 -0.499 0.000 0.776 22 P CB 0.591 31.925 31.700 -0.609 0.000 0.881 23 I N 3.114 123.523 120.570 -0.269 0.000 2.465 23 I HA 0.370 4.540 4.170 -0.001 0.000 0.291 23 I C 0.317 176.338 176.117 -0.159 0.000 1.014 23 I CA -0.688 60.459 61.300 -0.256 0.000 1.093 23 I CB 1.544 39.386 38.000 -0.263 0.000 1.267 23 I HN 0.473 nan 8.210 nan 0.000 0.431 24 N N 4.231 122.850 118.700 -0.134 0.000 3.283 24 N HA 0.458 5.198 4.740 -0.001 0.000 0.338 24 N C 0.355 175.832 175.510 -0.055 0.000 1.517 24 N CA -0.490 52.514 53.050 -0.078 0.000 0.733 24 N CB 0.674 39.123 38.487 -0.063 0.000 1.797 24 N HN 0.390 nan 8.380 nan 0.000 0.637 25 A N -0.692 122.107 122.820 -0.034 0.000 2.216 25 A HA 0.161 4.481 4.320 -0.001 0.000 0.214 25 A C 1.612 179.186 177.584 -0.018 0.000 1.160 25 A CA 0.676 52.700 52.037 -0.022 0.000 0.725 25 A CB -0.906 18.084 19.000 -0.018 0.000 0.784 25 A HN 0.545 nan 8.150 nan 0.000 0.472 26 L N -1.530 119.681 121.223 -0.021 0.000 2.463 26 L HA 0.024 4.363 4.340 -0.001 0.000 0.219 26 L C 2.444 179.338 176.870 0.041 0.000 1.088 26 L CA 0.489 55.331 54.840 0.004 0.000 0.849 26 L CB -0.291 41.753 42.059 -0.025 0.000 1.012 26 L HN 0.224 nan 8.230 nan 0.000 0.468 27 S N 0.875 116.567 115.700 -0.012 0.000 2.359 27 S HA -0.199 4.270 4.470 -0.001 0.000 0.222 27 S C 1.699 176.330 174.600 0.052 0.000 1.038 27 S CA 1.747 59.926 58.200 -0.035 0.000 1.051 27 S CB -0.392 62.689 63.200 -0.198 0.000 0.944 27 S HN 0.465 nan 8.310 nan 0.000 0.433 28 N N 1.503 120.256 118.700 0.089 0.000 2.334 28 N HA -0.093 4.647 4.740 -0.001 0.000 0.187 28 N C 1.872 177.401 175.510 0.032 0.000 1.016 28 N CA 1.363 54.481 53.050 0.114 0.000 0.879 28 N CB -0.508 38.026 38.487 0.079 0.000 0.965 28 N HN 0.627 nan 8.380 nan 0.000 0.438 29 S N -0.213 115.499 115.700 0.021 0.000 2.453 29 S HA -0.035 4.435 4.470 -0.001 0.000 0.231 29 S C 1.855 176.450 174.600 -0.008 0.000 1.005 29 S CA 0.321 58.506 58.200 -0.025 0.000 0.949 29 S CB -0.159 63.051 63.200 0.017 0.000 0.774 29 S HN 0.211 nan 8.310 nan 0.000 0.510 30 L N 1.131 122.371 121.223 0.027 0.000 2.200 30 L HA 0.547 4.887 4.340 -0.001 0.000 0.200 30 L C 0.224 177.146 176.870 0.087 0.000 1.072 30 L CA 0.885 55.738 54.840 0.022 0.000 0.787 30 L CB -0.079 41.787 42.059 -0.322 0.000 0.957 30 L HN 0.636 nan 8.230 nan 0.000 0.459 31 L N -4.232 117.030 121.223 0.065 0.000 2.540 31 L HA 0.503 4.843 4.340 -0.001 0.000 0.256 31 L C -0.107 176.803 176.870 0.066 0.000 1.001 31 L CA -0.870 54.001 54.840 0.051 0.000 0.843 31 L CB 1.712 43.819 42.059 0.080 0.000 1.436 31 L HN -0.135 nan 8.230 nan 0.000 0.410 32 R N -0.831 119.589 120.500 -0.133 0.000 2.316 32 R HA 0.216 4.556 4.340 -0.001 0.000 0.201 32 R C -0.037 176.029 176.300 -0.390 0.000 0.888 32 R CA 0.036 55.962 56.100 -0.290 0.000 1.041 32 R CB 0.255 30.411 30.300 -0.240 0.000 1.115 32 R HN 0.730 nan 8.270 nan 0.000 0.559 33 H N 0.880 119.859 119.070 -0.153 0.000 2.799 33 H HA 0.127 4.682 4.556 -0.001 0.000 0.225 33 H C 0.535 175.878 175.328 0.025 0.000 1.904 33 H CA -0.276 55.716 56.048 -0.094 0.000 1.344 33 H CB -0.107 29.647 29.762 -0.013 0.000 1.744 33 H HN 0.319 nan 8.280 nan 0.000 0.542 34 H N 0.484 119.645 119.070 0.152 0.000 2.422 34 H HA -0.144 4.412 4.556 -0.001 0.000 0.298 34 H C 1.449 176.852 175.328 0.126 0.000 1.098 34 H CA 0.578 56.693 56.048 0.111 0.000 1.315 34 H CB 0.314 30.116 29.762 0.067 0.000 1.382 34 H HN 0.548 nan 8.280 nan 0.000 0.523 35 N N 0.423 119.248 118.700 0.209 0.000 2.520 35 N HA -0.086 4.654 4.740 -0.001 0.000 0.185 35 N C 1.290 176.901 175.510 0.168 0.000 1.068 35 N CA 0.649 53.793 53.050 0.157 0.000 0.911 35 N CB 0.097 38.634 38.487 0.084 0.000 0.961 35 N HN 0.426 nan 8.380 nan 0.000 0.446 36 M N 0.314 120.028 119.600 0.190 0.000 2.506 36 M HA 0.094 4.573 4.480 -0.001 0.000 0.260 36 M C 0.250 176.716 176.300 0.277 0.000 1.104 36 M CA 0.318 55.737 55.300 0.198 0.000 1.112 36 M CB -0.012 32.698 32.600 0.183 0.000 1.401 36 M HN -0.251 nan 8.290 nan 0.000 0.473 37 V N 1.251 121.341 119.914 0.293 0.000 2.483 37 V HA 0.377 4.497 4.120 -0.001 0.000 0.295 37 V C -0.644 175.702 176.094 0.420 0.000 1.035 37 V CA -0.777 61.712 62.300 0.315 0.000 0.896 37 V CB 1.153 33.138 31.823 0.270 0.000 0.986 37 V HN 0.393 nan 8.190 nan 0.000 0.447 38 Y N 2.259 122.701 120.300 0.237 0.000 2.655 38 Y HA 0.927 5.476 4.550 -0.001 0.000 0.336 38 Y C -0.561 175.415 175.900 0.126 0.000 1.154 38 Y CA -1.569 56.675 58.100 0.239 0.000 1.055 38 Y CB 1.576 40.141 38.460 0.174 0.000 1.295 38 Y HN 0.714 nan 8.280 nan 0.000 0.465 39 A N 1.321 124.191 122.820 0.083 0.000 2.371 39 A HA 0.670 4.989 4.320 -0.001 0.000 0.311 39 A C -0.258 177.373 177.584 0.079 0.000 1.068 39 A CA -0.417 51.482 52.037 -0.231 0.000 0.744 39 A CB 0.581 19.242 19.000 -0.565 0.000 1.239 39 A HN 1.128 nan 8.150 nan 0.000 0.435 40 T N 0.290 114.880 114.554 0.061 0.000 2.918 40 T HA 0.568 4.918 4.350 -0.001 0.000 0.302 40 T C 0.429 175.182 174.700 0.087 0.000 1.045 40 T CA 0.448 62.650 62.100 0.170 0.000 1.114 40 T CB 0.728 69.710 68.868 0.190 0.000 0.965 40 T HN 1.496 nan 8.240 nan 0.000 0.540 41 T N -2.118 112.494 114.554 0.096 0.000 2.812 41 T HA 0.482 4.832 4.350 -0.001 0.000 0.294 41 T C 1.328 176.059 174.700 0.051 0.000 1.159 41 T CA -0.272 61.868 62.100 0.067 0.000 1.008 41 T CB 1.229 70.143 68.868 0.077 0.000 1.289 41 T HN 0.750 nan 8.240 nan 0.000 0.514 42 S N -0.106 115.617 115.700 0.038 0.000 2.500 42 S HA -0.113 4.357 4.470 -0.001 0.000 0.239 42 S C 1.724 176.328 174.600 0.006 0.000 0.989 42 S CA 0.424 58.636 58.200 0.019 0.000 0.951 42 S CB -0.685 62.526 63.200 0.019 0.000 0.759 42 S HN 0.710 nan 8.310 nan 0.000 0.523 43 R N 1.383 121.895 120.500 0.019 0.000 2.241 43 R HA -0.011 4.329 4.340 -0.001 0.000 0.224 43 R C 1.966 178.265 176.300 -0.003 0.000 1.101 43 R CA 1.367 57.473 56.100 0.009 0.000 0.995 43 R CB -0.295 30.019 30.300 0.023 0.000 0.870 43 R HN 0.730 nan 8.270 nan 0.000 0.463 44 S N -1.330 114.372 115.700 0.003 0.000 2.539 44 S HA 0.250 4.720 4.470 -0.001 0.000 0.221 44 S C 1.736 176.316 174.600 -0.034 0.000 0.987 44 S CA 0.103 58.298 58.200 -0.008 0.000 0.929 44 S CB 0.986 64.198 63.200 0.019 0.000 0.832 44 S HN 0.240 nan 8.310 nan 0.000 0.492 45 A N 2.233 125.025 122.820 -0.046 0.000 1.917 45 A HA 0.079 4.398 4.320 -0.001 0.000 0.219 45 A C 2.276 179.764 177.584 -0.160 0.000 1.182 45 A CA 1.811 53.794 52.037 -0.089 0.000 0.633 45 A CB -1.730 17.215 19.000 -0.092 0.000 0.819 45 A HN 0.677 nan 8.150 nan 0.000 0.448 46 G N -0.301 108.407 108.800 -0.154 0.000 2.442 46 G HA2 -0.173 3.786 3.960 -0.001 0.000 0.219 46 G HA3 -0.173 3.786 3.960 -0.001 0.000 0.219 46 G C 1.527 176.329 174.900 -0.162 0.000 1.141 46 G CA 1.069 46.051 45.100 -0.195 0.000 0.763 46 G HN 0.471 nan 8.290 nan 0.000 0.554 47 L N -0.310 120.852 121.223 -0.100 0.000 2.093 47 L HA 0.001 4.341 4.340 -0.001 0.000 0.208 47 L C 2.876 179.709 176.870 -0.062 0.000 1.085 47 L CA 1.180 55.980 54.840 -0.067 0.000 0.755 47 L CB -0.325 41.709 42.059 -0.041 0.000 0.904 47 L HN 0.148 nan 8.230 nan 0.000 0.435 48 R N 0.625 121.084 120.500 -0.069 0.000 2.075 48 R HA -0.152 4.188 4.340 -0.001 0.000 0.232 48 R C 2.228 178.483 176.300 -0.075 0.000 1.126 48 R CA 1.532 57.605 56.100 -0.044 0.000 0.963 48 R CB -0.403 29.877 30.300 -0.033 0.000 0.858 48 R HN 0.373 nan 8.270 nan 0.000 0.435 49 Q N 0.070 119.744 119.800 -0.209 0.000 2.135 49 Q HA -0.177 4.162 4.340 -0.001 0.000 0.204 49 Q C 1.930 177.867 176.000 -0.106 0.000 0.981 49 Q CA 1.973 57.578 55.803 -0.329 0.000 0.856 49 Q CB -0.110 28.112 28.738 -0.861 0.000 0.902 49 Q HN 0.359 nan 8.270 nan 0.000 0.425 50 K N 0.799 121.148 120.400 -0.084 0.000 2.057 50 K HA -0.114 4.205 4.320 -0.001 0.000 0.206 50 K C 1.994 178.652 176.600 0.097 0.000 1.050 50 K CA 1.104 57.397 56.287 0.011 0.000 0.935 50 K CB 0.007 32.498 32.500 -0.015 0.000 0.715 50 K HN 0.108 nan 8.250 nan 0.000 0.439 51 K N 0.760 121.213 120.400 0.087 0.000 2.057 51 K HA -0.092 4.227 4.320 -0.001 0.000 0.206 51 K C 2.039 178.818 176.600 0.298 0.000 1.050 51 K CA 1.544 57.916 56.287 0.143 0.000 0.935 51 K CB -0.148 32.408 32.500 0.093 0.000 0.715 51 K HN 0.105 nan 8.250 nan 0.000 0.439 52 V N -1.037 119.042 119.914 0.275 0.000 3.380 52 V HA 0.008 4.127 4.120 -0.001 0.000 0.268 52 V C 0.474 176.767 176.094 0.331 0.000 1.168 52 V CA 0.432 62.956 62.300 0.374 0.000 1.156 52 V CB -0.466 31.519 31.823 0.269 0.000 0.785 52 V HN 0.001 nan 8.190 nan 0.000 0.487 53 T N 4.312 119.070 114.554 0.341 0.000 2.743 53 T HA 0.707 5.057 4.350 -0.001 0.000 0.292 53 T C -0.740 174.079 174.700 0.199 0.000 0.972 53 T CA -0.019 62.226 62.100 0.242 0.000 0.967 53 T CB 0.322 69.411 68.868 0.370 0.000 0.926 53 T HN 0.643 nan 8.240 nan 0.000 0.459 54 F N -0.117 119.858 119.950 0.042 0.000 2.770 54 F HA 0.591 5.117 4.527 -0.001 0.000 0.313 54 F C -1.305 174.517 175.800 0.036 0.000 1.154 54 F CA -1.710 56.270 58.000 -0.033 0.000 0.923 54 F CB 0.660 39.678 39.000 0.031 0.000 1.301 54 F HN 0.264 nan 8.300 nan 0.000 0.449 55 D N 1.002 121.622 120.400 0.366 0.000 2.308 55 D HA 0.485 5.125 4.640 -0.001 0.000 0.251 55 D C -0.771 175.754 176.300 0.375 0.000 1.127 55 D CA 0.078 54.340 54.000 0.437 0.000 0.876 55 D CB 0.837 41.896 40.800 0.431 0.000 1.176 55 D HN 0.581 nan 8.370 nan 0.000 0.446 56 R N 2.421 123.078 120.500 0.261 0.000 2.532 56 R HA 0.672 5.011 4.340 -0.001 0.000 0.295 56 R C -1.013 175.331 176.300 0.073 0.000 0.968 56 R CA -0.748 55.462 56.100 0.184 0.000 0.916 56 R CB 1.037 31.399 30.300 0.102 0.000 1.124 56 R HN 0.339 nan 8.270 nan 0.000 0.463 57 L N 1.636 122.879 121.223 0.034 0.000 2.386 57 L HA 0.460 4.799 4.340 -0.001 0.000 0.271 57 L C -0.880 175.955 176.870 -0.059 0.000 0.993 57 L CA -0.211 54.609 54.840 -0.034 0.000 0.819 57 L CB 2.082 44.144 42.059 0.005 0.000 1.294 57 L HN 0.536 nan 8.230 nan 0.000 0.414 58 Q N 2.480 122.215 119.800 -0.108 0.000 2.321 58 Q HA 0.646 4.986 4.340 -0.001 0.000 0.270 58 Q C -1.489 174.452 176.000 -0.098 0.000 1.032 58 Q CA -0.644 55.098 55.803 -0.100 0.000 0.784 58 Q CB 3.112 31.764 28.738 -0.143 0.000 1.264 58 Q HN 0.348 nan 8.270 nan 0.000 0.448 59 V N 4.898 124.773 119.914 -0.065 0.000 2.326 59 V HA 0.366 4.486 4.120 -0.001 0.000 0.281 59 V C -0.502 175.577 176.094 -0.025 0.000 1.015 59 V CA -0.486 61.781 62.300 -0.055 0.000 0.823 59 V CB 1.078 32.870 31.823 -0.051 0.000 1.009 59 V HN 0.628 nan 8.190 nan 0.000 0.436 60 L N 5.733 126.893 121.223 -0.104 0.000 2.265 60 L HA 0.556 4.896 4.340 -0.001 0.000 0.289 60 L C 0.062 176.923 176.870 -0.015 0.000 1.033 60 L CA -0.553 54.177 54.840 -0.184 0.000 0.814 60 L CB 1.368 43.141 42.059 -0.478 0.000 1.203 60 L HN 0.670 nan 8.230 nan 0.000 0.423 61 D N 0.743 121.216 120.400 0.123 0.000 2.564 61 D HA 0.104 4.743 4.640 -0.001 0.000 0.273 61 D C 0.378 176.744 176.300 0.111 0.000 1.192 61 D CA -0.613 53.452 54.000 0.108 0.000 1.080 61 D CB 0.836 41.712 40.800 0.127 0.000 1.160 61 D HN 0.297 nan 8.370 nan 0.000 0.607 62 D N -1.290 119.117 120.400 0.012 0.000 2.144 62 D HA -0.152 4.487 4.640 -0.001 0.000 0.199 62 D C 1.752 178.058 176.300 0.010 0.000 0.984 62 D CA 1.049 55.033 54.000 -0.027 0.000 0.834 62 D CB -0.095 40.636 40.800 -0.117 0.000 0.955 62 D HN 0.415 nan 8.370 nan 0.000 0.465 63 H N -0.271 118.862 119.070 0.105 0.000 2.352 63 H HA -0.161 4.394 4.556 -0.001 0.000 0.299 63 H C 2.005 177.372 175.328 0.065 0.000 1.097 63 H CA 0.955 57.056 56.048 0.090 0.000 1.311 63 H CB -0.638 29.201 29.762 0.129 0.000 1.377 63 H HN 0.335 nan 8.280 nan 0.000 0.504 64 Y N 1.848 122.186 120.300 0.063 0.000 2.145 64 Y HA -0.209 4.341 4.550 -0.000 0.000 0.286 64 Y C 2.642 178.490 175.900 -0.086 0.000 1.145 64 Y CA 1.609 59.624 58.100 -0.141 0.000 1.148 64 Y CB -0.054 38.232 38.460 -0.290 0.000 0.981 64 Y HN -0.044 nan 8.280 nan 0.000 0.507 65 R N -0.031 120.530 120.500 0.101 0.000 2.115 65 R HA -0.126 4.214 4.340 -0.001 0.000 0.226 65 R C 1.711 177.981 176.300 -0.050 0.000 1.100 65 R CA 1.304 57.404 56.100 0.000 0.000 0.980 65 R CB -0.263 30.081 30.300 0.073 0.000 0.875 65 R HN 0.396 nan 8.270 nan 0.000 0.445 66 D N 0.167 120.563 120.400 -0.008 0.000 2.117 66 D HA -0.115 4.525 4.640 -0.001 0.000 0.197 66 D C 1.934 178.218 176.300 -0.027 0.000 0.987 66 D CA 1.016 55.016 54.000 0.000 0.000 0.829 66 D CB -0.097 40.732 40.800 0.048 0.000 0.961 66 D HN -0.005 nan 8.370 nan 0.000 0.460 67 V N 1.053 120.930 119.914 -0.062 0.000 2.358 67 V HA -0.184 3.936 4.120 -0.001 0.000 0.246 67 V C 2.432 178.455 176.094 -0.119 0.000 1.047 67 V CA 0.919 63.166 62.300 -0.088 0.000 1.035 67 V CB -0.413 31.323 31.823 -0.144 0.000 0.658 67 V HN 0.137 nan 8.190 nan 0.000 0.452 68 L N 0.643 121.728 121.223 -0.230 0.000 2.079 68 L HA -0.188 4.151 4.340 -0.001 0.000 0.210 68 L C 2.378 179.179 176.870 -0.115 0.000 1.081 68 L CA 2.219 56.922 54.840 -0.227 0.000 0.752 68 L CB -0.818 41.031 42.059 -0.350 0.000 0.896 68 L HN 0.291 nan 8.230 nan 0.000 0.433 69 K N -0.496 119.854 120.400 -0.083 0.000 2.057 69 K HA -0.197 4.122 4.320 -0.001 0.000 0.207 69 K C 1.920 178.503 176.600 -0.029 0.000 1.049 69 K CA 1.797 58.057 56.287 -0.045 0.000 0.931 69 K CB -0.099 32.384 32.500 -0.028 0.000 0.714 69 K HN 0.512 nan 8.250 nan 0.000 0.440 70 E N 0.159 120.346 120.200 -0.020 0.000 2.106 70 E HA -0.171 4.178 4.350 -0.001 0.000 0.192 70 E C 2.080 178.681 176.600 0.001 0.000 0.984 70 E CA 1.429 57.830 56.400 0.000 0.000 0.806 70 E CB -0.054 29.658 29.700 0.019 0.000 0.750 70 E HN 0.341 nan 8.360 nan 0.000 0.458 71 M N 0.609 120.208 119.600 -0.003 0.000 2.117 71 M HA -0.167 4.313 4.480 -0.001 0.000 0.262 71 M C 2.117 178.395 176.300 -0.036 0.000 1.065 71 M CA 1.454 56.747 55.300 -0.010 0.000 1.114 71 M CB -0.086 32.509 32.600 -0.007 0.000 1.361 71 M HN -0.056 nan 8.290 nan 0.000 0.408 72 K N 0.183 120.558 120.400 -0.042 0.000 2.097 72 K HA -0.092 4.228 4.320 -0.001 0.000 0.206 72 K C 2.084 178.668 176.600 -0.025 0.000 1.049 72 K CA 1.377 57.641 56.287 -0.038 0.000 0.933 72 K CB -0.256 32.220 32.500 -0.040 0.000 0.717 72 K HN 0.298 nan 8.250 nan 0.000 0.442 73 A N 1.881 124.689 122.820 -0.020 0.000 1.902 73 A HA -0.210 4.109 4.320 -0.001 0.000 0.217 73 A C 1.903 179.477 177.584 -0.016 0.000 1.181 73 A CA 1.603 53.632 52.037 -0.014 0.000 0.623 73 A CB -0.278 18.717 19.000 -0.008 0.000 0.818 73 A HN 0.192 nan 8.150 nan 0.000 0.443 74 K N -0.401 119.986 120.400 -0.022 0.000 2.097 74 K HA 0.027 4.346 4.320 -0.001 0.000 0.205 74 K C 2.209 178.788 176.600 -0.036 0.000 1.050 74 K CA 1.001 57.270 56.287 -0.030 0.000 0.938 74 K CB -0.285 32.190 32.500 -0.042 0.000 0.718 74 K HN 0.427 nan 8.250 nan 0.000 0.442 75 A N 1.359 124.158 122.820 -0.036 0.000 2.019 75 A HA -0.148 4.172 4.320 -0.001 0.000 0.219 75 A C 2.066 179.642 177.584 -0.013 0.000 1.164 75 A CA 1.860 53.880 52.037 -0.028 0.000 0.644 75 A CB -0.580 18.406 19.000 -0.023 0.000 0.805 75 A HN 0.381 nan 8.150 nan 0.000 0.449 76 S N -0.290 115.403 115.700 -0.012 0.000 2.507 76 S HA -0.114 4.356 4.470 -0.001 0.000 0.235 76 S C 1.646 176.243 174.600 -0.005 0.000 0.988 76 S CA 1.604 59.802 58.200 -0.005 0.000 0.944 76 S CB -1.039 62.158 63.200 -0.005 0.000 0.762 76 S HN 0.778 nan 8.310 nan 0.000 0.526 77 T N -0.917 113.630 114.554 -0.012 0.000 3.100 77 T HA 0.291 4.641 4.350 -0.001 0.000 0.253 77 T C 0.469 175.160 174.700 -0.014 0.000 1.118 77 T CA -0.187 61.906 62.100 -0.012 0.000 1.058 77 T CB -0.388 68.470 68.868 -0.016 0.000 0.953 77 T HN 0.164 nan 8.240 nan 0.000 0.515 78 V N 2.012 121.917 119.914 -0.015 0.000 2.583 78 V HA 0.379 4.498 4.120 -0.001 0.000 0.287 78 V C 0.112 176.203 176.094 -0.006 0.000 1.051 78 V CA -0.628 61.662 62.300 -0.017 0.000 1.010 78 V CB 1.172 32.981 31.823 -0.023 0.000 0.988 78 V HN 0.399 nan 8.190 nan 0.000 0.478 79 K N 3.829 124.225 120.400 -0.006 0.000 2.450 79 K HA 0.735 5.055 4.320 -0.001 0.000 0.257 79 K C -0.621 175.980 176.600 0.001 0.000 0.953 79 K CA -0.366 55.922 56.287 0.002 0.000 0.844 79 K CB 1.385 33.887 32.500 0.002 0.000 1.103 79 K HN 0.826 nan 8.250 nan 0.000 0.429 80 A N 3.893 126.718 122.820 0.008 0.000 2.337 80 A HA 0.601 4.921 4.320 -0.001 0.000 0.331 80 A C -1.178 176.419 177.584 0.023 0.000 1.137 80 A CA -0.863 51.180 52.037 0.009 0.000 0.807 80 A CB 0.934 19.935 19.000 0.002 0.000 1.250 80 A HN 0.831 nan 8.150 nan 0.000 0.468 81 K N 1.292 121.709 120.400 0.028 0.000 2.281 81 K HA 0.768 5.088 4.320 -0.001 0.000 0.242 81 K C -1.296 175.329 176.600 0.042 0.000 0.971 81 K CA -0.694 55.612 56.287 0.031 0.000 0.834 81 K CB 1.395 33.908 32.500 0.022 0.000 1.181 81 K HN 0.507 nan 8.250 nan 0.000 0.435 82 L N 2.111 123.355 121.223 0.033 0.000 2.397 82 L HA 0.206 4.545 4.340 -0.001 0.000 0.271 82 L C -0.464 176.390 176.870 -0.027 0.000 1.148 82 L CA -1.019 53.833 54.840 0.019 0.000 0.825 82 L CB 0.645 42.709 42.059 0.008 0.000 1.117 82 L HN 0.508 nan 8.230 nan 0.000 0.456 83 L N 2.179 123.370 121.223 -0.053 0.000 2.307 83 L HA 0.277 4.617 4.340 -0.001 0.000 0.282 83 L C 0.456 177.221 176.870 -0.174 0.000 1.051 83 L CA 0.267 55.057 54.840 -0.083 0.000 0.804 83 L CB 1.637 43.658 42.059 -0.063 0.000 1.197 83 L HN 0.694 nan 8.230 nan 0.000 0.431 84 S N 1.866 117.475 115.700 -0.151 0.000 2.589 84 S HA 0.169 4.639 4.470 -0.001 0.000 0.265 84 S C 1.355 175.827 174.600 -0.212 0.000 1.342 84 S CA -0.655 57.437 58.200 -0.181 0.000 1.005 84 S CB 0.769 63.899 63.200 -0.116 0.000 0.909 84 S HN 0.344 nan 8.310 nan 0.000 0.555 85 V N 1.726 121.490 119.914 -0.250 0.000 2.392 85 V HA -0.177 3.943 4.120 -0.001 0.000 0.249 85 V C 2.589 178.587 176.094 -0.160 0.000 1.059 85 V CA 2.391 64.535 62.300 -0.259 0.000 1.051 85 V CB -1.414 30.221 31.823 -0.314 0.000 0.658 85 V HN 0.845 nan 8.190 nan 0.000 0.455 86 E N 0.424 120.554 120.200 -0.118 0.000 2.031 86 E HA -0.211 4.139 4.350 -0.001 0.000 0.193 86 E C 2.196 178.739 176.600 -0.095 0.000 0.994 86 E CA 1.607 57.955 56.400 -0.087 0.000 0.800 86 E CB -0.385 29.276 29.700 -0.065 0.000 0.752 86 E HN 0.694 nan 8.360 nan 0.000 0.447 87 E N 0.344 120.480 120.200 -0.107 0.000 2.085 87 E HA -0.197 4.153 4.350 -0.001 0.000 0.194 87 E C 2.040 178.547 176.600 -0.155 0.000 0.994 87 E CA 1.086 57.414 56.400 -0.121 0.000 0.801 87 E CB -0.220 29.410 29.700 -0.116 0.000 0.743 87 E HN 0.281 nan 8.360 nan 0.000 0.453 88 A N 0.800 123.526 122.820 -0.156 0.000 1.902 88 A HA -0.198 4.122 4.320 -0.001 0.000 0.217 88 A C 2.435 179.948 177.584 -0.118 0.000 1.181 88 A CA 1.248 53.192 52.037 -0.154 0.000 0.623 88 A CB -0.888 18.033 19.000 -0.133 0.000 0.818 88 A HN 0.375 nan 8.150 nan 0.000 0.443 89 C N -0.204 119.037 119.300 -0.098 0.000 2.413 89 C HA -0.074 4.386 4.460 -0.001 0.000 0.276 89 C C 2.546 177.502 174.990 -0.057 0.000 1.248 89 C CA 1.224 60.203 59.018 -0.066 0.000 1.742 89 C CB -0.796 26.905 27.740 -0.065 0.000 2.017 89 C HN 0.485 nan 8.230 nan 0.000 0.481 90 K N 0.884 121.245 120.400 -0.064 0.000 2.360 90 K HA 0.038 4.358 4.320 -0.001 0.000 0.201 90 K C 1.419 178.011 176.600 -0.014 0.000 1.046 90 K CA 0.874 57.141 56.287 -0.034 0.000 0.945 90 K CB -0.435 32.040 32.500 -0.042 0.000 0.750 90 K HN 0.561 nan 8.250 nan 0.000 0.464 91 L N 0.795 121.969 121.223 -0.082 0.000 2.591 91 L HA 0.026 4.365 4.340 -0.001 0.000 0.228 91 L C 0.277 177.122 176.870 -0.042 0.000 1.133 91 L CA 0.108 54.886 54.840 -0.103 0.000 0.880 91 L CB -0.060 41.824 42.059 -0.292 0.000 1.033 91 L HN -0.120 nan 8.230 nan 0.000 0.450 92 T N 1.656 116.193 114.554 -0.028 0.000 2.761 92 T HA 0.215 4.565 4.350 -0.001 0.000 0.296 92 T C -2.326 172.322 174.700 -0.087 0.000 0.934 92 T CA -1.179 60.898 62.100 -0.037 0.000 1.091 92 T CB 0.969 69.822 68.868 -0.025 0.000 0.896 92 T HN -0.157 nan 8.240 nan 0.000 0.515 93 P HA 0.097 nan 4.420 nan 0.000 0.264 93 P C -1.864 175.296 177.300 -0.232 0.000 1.193 93 P CA -1.172 61.786 63.100 -0.238 0.000 0.763 93 P CB 0.229 31.861 31.700 -0.112 0.000 0.810 94 P HA -0.186 nan 4.420 nan 0.000 0.217 94 P C 0.370 177.630 177.300 -0.065 0.000 1.148 94 P CA 1.694 64.695 63.100 -0.164 0.000 0.828 94 P CB -0.140 31.484 31.700 -0.126 0.000 0.783 95 H N -2.440 116.525 119.070 -0.174 0.000 2.507 95 H HA 0.279 4.834 4.556 -0.001 0.000 0.294 95 H C 0.448 175.714 175.328 -0.104 0.000 1.064 95 H CA -0.495 55.485 56.048 -0.113 0.000 1.138 95 H CB -0.580 29.125 29.762 -0.094 0.000 1.515 95 H HN -0.020 nan 8.280 nan 0.000 0.547 96 S N 1.055 116.745 115.700 -0.016 0.000 2.560 96 S HA 0.363 4.833 4.470 -0.001 0.000 0.284 96 S C 0.700 175.274 174.600 -0.044 0.000 1.327 96 S CA -0.463 57.710 58.200 -0.046 0.000 1.055 96 S CB 0.162 63.336 63.200 -0.043 0.000 0.868 96 S HN 0.560 nan 8.310 nan 0.000 0.506 97 A N 4.887 127.665 122.820 -0.071 0.000 2.580 97 A HA 0.160 4.479 4.320 -0.001 0.000 0.244 97 A C 0.620 178.202 177.584 -0.004 0.000 1.045 97 A CA 0.114 52.130 52.037 -0.035 0.000 0.761 97 A CB -0.334 18.642 19.000 -0.039 0.000 0.962 97 A HN 0.867 nan 8.150 nan 0.000 0.512 98 K N 2.502 122.890 120.400 -0.021 0.000 2.380 98 K HA 0.305 4.625 4.320 -0.001 0.000 0.267 98 K C 0.372 176.908 176.600 -0.106 0.000 0.990 98 K CA 0.153 56.401 56.287 -0.064 0.000 0.946 98 K CB 0.437 32.896 32.500 -0.069 0.000 0.937 98 K HN 0.462 nan 8.250 nan 0.000 0.491 99 S N 0.198 115.731 115.700 -0.278 0.000 2.603 99 S HA 0.049 4.519 4.470 -0.001 0.000 0.268 99 S C 0.503 174.925 174.600 -0.295 0.000 1.317 99 S CA -0.694 57.283 58.200 -0.371 0.000 1.012 99 S CB 0.498 63.075 63.200 -1.039 0.000 0.926 99 S HN 0.766 nan 8.310 nan 0.000 0.539 100 K N 1.863 122.119 120.400 -0.240 0.000 2.446 100 K HA 0.199 4.518 4.320 -0.001 0.000 0.203 100 K C -0.379 175.862 176.600 -0.599 0.000 1.027 100 K CA 0.265 56.336 56.287 -0.361 0.000 1.166 100 K CB -0.141 32.133 32.500 -0.376 0.000 0.869 100 K HN 0.516 nan 8.250 nan 0.000 0.504 101 F N 0.982 120.735 119.950 -0.328 0.000 2.698 101 F HA 0.324 4.851 4.527 -0.001 0.000 0.304 101 F C 0.863 176.568 175.800 -0.158 0.000 1.108 101 F CA -0.257 57.582 58.000 -0.269 0.000 1.263 101 F CB 1.546 40.246 39.000 -0.498 0.000 1.013 101 F HN 0.313 nan 8.300 nan 0.000 0.532 102 G N 0.843 109.605 108.800 -0.062 0.000 2.207 102 G HA2 -0.198 3.762 3.960 -0.001 0.000 0.216 102 G HA3 -0.198 3.762 3.960 -0.001 0.000 0.216 102 G C -0.603 174.400 174.900 0.172 0.000 1.053 102 G CA -0.062 45.069 45.100 0.051 0.000 0.764 102 G HN 0.591 nan 8.290 nan 0.000 0.495 103 Y N -3.159 117.134 120.300 -0.012 0.000 2.717 103 Y HA 0.650 5.200 4.550 -0.001 0.000 0.345 103 Y C 0.192 176.087 175.900 -0.009 0.000 1.187 103 Y CA -0.847 57.247 58.100 -0.010 0.000 1.128 103 Y CB 0.233 38.690 38.460 -0.004 0.000 1.360 103 Y HN 0.942 nan 8.280 nan 0.000 0.467 104 G N 0.174 109.074 108.800 0.167 0.000 3.140 104 G HA2 0.597 4.557 3.960 -0.001 0.000 0.271 104 G HA3 0.597 4.557 3.960 -0.001 0.000 0.271 104 G C 0.324 175.299 174.900 0.125 0.000 1.370 104 G CA -0.719 44.419 45.100 0.063 0.000 1.014 104 G HN 1.323 nan 8.290 nan 0.000 0.541 105 A N -0.315 122.526 122.820 0.036 0.000 1.883 105 A HA -0.058 4.262 4.320 -0.001 0.000 0.217 105 A C 2.208 179.789 177.584 -0.005 0.000 1.186 105 A CA 2.484 54.529 52.037 0.014 0.000 0.624 105 A CB -0.576 18.398 19.000 -0.042 0.000 0.822 105 A HN 0.543 nan 8.150 nan 0.000 0.444 106 K N 0.081 120.461 120.400 -0.033 0.000 2.032 106 K HA -0.173 4.146 4.320 -0.001 0.000 0.209 106 K C 1.614 178.208 176.600 -0.009 0.000 1.048 106 K CA 1.892 58.154 56.287 -0.042 0.000 0.927 106 K CB -0.273 32.193 32.500 -0.056 0.000 0.712 106 K HN 0.520 nan 8.250 nan 0.000 0.441 107 D N -0.383 120.034 120.400 0.029 0.000 2.149 107 D HA -0.153 4.486 4.640 -0.001 0.000 0.198 107 D C 1.831 178.133 176.300 0.004 0.000 0.990 107 D CA 1.271 55.292 54.000 0.035 0.000 0.839 107 D CB 0.025 40.889 40.800 0.107 0.000 0.948 107 D HN 0.055 nan 8.370 nan 0.000 0.460 108 V N 1.102 121.036 119.914 0.033 0.000 2.323 108 V HA -0.175 3.945 4.120 -0.001 0.000 0.244 108 V C 2.466 178.545 176.094 -0.024 0.000 1.041 108 V CA 1.346 63.645 62.300 -0.001 0.000 1.025 108 V CB -0.294 31.563 31.823 0.057 0.000 0.656 108 V HN 0.094 nan 8.190 nan 0.000 0.451 109 R N 0.442 120.928 120.500 -0.024 0.000 2.120 109 R HA -0.119 4.221 4.340 -0.001 0.000 0.234 109 R C 1.774 178.056 176.300 -0.030 0.000 1.123 109 R CA 1.666 57.746 56.100 -0.033 0.000 0.975 109 R CB -0.355 29.916 30.300 -0.049 0.000 0.866 109 R HN 0.530 nan 8.270 nan 0.000 0.446 110 N N 0.434 119.117 118.700 -0.028 0.000 2.461 110 N HA 0.100 4.839 4.740 -0.001 0.000 0.188 110 N C -0.219 175.273 175.510 -0.030 0.000 1.134 110 N CA 0.212 53.247 53.050 -0.025 0.000 0.878 110 N CB 0.191 38.665 38.487 -0.021 0.000 0.972 110 N HN 0.055 nan 8.380 nan 0.000 0.456 111 L N 0.338 121.537 121.223 -0.039 0.000 3.634 111 L HA -0.253 4.087 4.340 -0.001 0.000 0.423 111 L C 0.100 176.942 176.870 -0.048 0.000 1.253 111 L CA -0.144 54.668 54.840 -0.047 0.000 0.885 111 L CB -2.555 39.482 42.059 -0.037 0.000 1.789 111 L HN 0.274 nan 8.230 nan 0.000 0.904 112 S N -1.090 114.577 115.700 -0.055 0.000 2.569 112 S HA 0.221 4.690 4.470 -0.001 0.000 0.274 112 S C 1.497 176.058 174.600 -0.064 0.000 1.353 112 S CA -0.022 58.148 58.200 -0.050 0.000 1.023 112 S CB 1.641 64.816 63.200 -0.043 0.000 0.876 112 S HN 0.489 nan 8.310 nan 0.000 0.540 113 S N 1.933 117.607 115.700 -0.044 0.000 2.356 113 S HA -0.190 4.280 4.470 -0.001 0.000 0.223 113 S C 1.765 176.335 174.600 -0.050 0.000 1.032 113 S CA 1.132 59.309 58.200 -0.038 0.000 1.005 113 S CB -0.730 62.457 63.200 -0.022 0.000 0.867 113 S HN 0.837 nan 8.310 nan 0.000 0.449 114 K N 1.641 122.011 120.400 -0.050 0.000 2.057 114 K HA -0.025 4.295 4.320 -0.001 0.000 0.207 114 K C 2.334 178.814 176.600 -0.200 0.000 1.049 114 K CA 1.166 57.425 56.287 -0.046 0.000 0.931 114 K CB -0.595 31.915 32.500 0.016 0.000 0.714 114 K HN 0.462 nan 8.250 nan 0.000 0.440 115 A N 0.463 123.046 122.820 -0.395 0.000 1.873 115 A HA -0.098 4.222 4.320 -0.001 0.000 0.215 115 A C 2.222 179.549 177.584 -0.429 0.000 1.186 115 A CA 1.549 53.056 52.037 -0.883 0.000 0.616 115 A CB -0.633 17.970 19.000 -0.661 0.000 0.823 115 A HN 0.157 nan 8.150 nan 0.000 0.442 116 V N 1.191 120.990 119.914 -0.192 0.000 2.343 116 V HA -0.258 3.862 4.120 -0.001 0.000 0.247 116 V C 2.296 178.445 176.094 0.092 0.000 1.051 116 V CA 2.063 64.337 62.300 -0.043 0.000 1.036 116 V CB -0.975 30.857 31.823 0.015 0.000 0.654 116 V HN 0.548 nan 8.190 nan 0.000 0.451 117 N N -0.553 118.173 118.700 0.045 0.000 2.120 117 N HA -0.195 4.545 4.740 -0.001 0.000 0.188 117 N C 1.914 177.473 175.510 0.082 0.000 1.024 117 N CA 1.584 54.679 53.050 0.074 0.000 0.852 117 N CB -0.516 37.988 38.487 0.029 0.000 1.003 117 N HN 0.628 nan 8.380 nan 0.000 0.424 118 H N 1.194 120.239 119.070 -0.042 0.000 2.389 118 H HA 0.048 4.604 4.556 -0.001 0.000 0.299 118 H C 2.090 177.410 175.328 -0.014 0.000 1.081 118 H CA 0.877 56.913 56.048 -0.019 0.000 1.345 118 H CB 0.027 29.823 29.762 0.056 0.000 1.393 118 H HN 0.154 nan 8.280 nan 0.000 0.520 119 I N 0.191 120.752 120.570 -0.015 0.000 2.286 119 I HA -0.275 3.894 4.170 -0.001 0.000 0.248 119 I C 2.209 178.268 176.117 -0.097 0.000 1.115 119 I CA 1.307 62.572 61.300 -0.058 0.000 1.392 119 I CB -0.388 37.555 38.000 -0.095 0.000 1.065 119 I HN 0.294 nan 8.210 nan 0.000 0.418 120 H N -0.042 118.999 119.070 -0.049 0.000 2.423 120 H HA -0.119 4.437 4.556 -0.001 0.000 0.297 120 H C 2.513 177.846 175.328 0.009 0.000 1.075 120 H CA 1.711 57.756 56.048 -0.005 0.000 1.342 120 H CB 0.071 29.814 29.762 -0.030 0.000 1.395 120 H HN 0.351 nan 8.280 nan 0.000 0.530 121 S N -0.408 115.302 115.700 0.017 0.000 2.406 121 S HA -0.091 4.378 4.470 -0.001 0.000 0.228 121 S C 2.205 176.734 174.600 -0.119 0.000 1.020 121 S CA 0.933 59.096 58.200 -0.062 0.000 0.965 121 S CB -0.570 62.547 63.200 -0.139 0.000 0.798 121 S HN 0.149 nan 8.310 nan 0.000 0.488 122 V N 0.932 120.725 119.914 -0.203 0.000 2.358 122 V HA -0.105 4.015 4.120 -0.001 0.000 0.246 122 V C 2.253 178.327 176.094 -0.033 0.000 1.047 122 V CA 1.722 63.919 62.300 -0.171 0.000 1.035 122 V CB -1.013 30.699 31.823 -0.185 0.000 0.658 122 V HN 0.716 nan 8.190 nan 0.000 0.452 123 W N 1.483 122.707 121.300 -0.126 0.000 2.355 123 W HA -0.231 4.429 4.660 -0.001 0.000 0.309 123 W C 2.501 178.986 176.519 -0.057 0.000 1.206 123 W CA 2.338 59.632 57.345 -0.085 0.000 1.284 123 W CB -0.192 29.211 29.460 -0.096 0.000 1.145 123 W HN 0.241 nan 8.180 nan 0.000 0.502 124 K N 0.535 121.000 120.400 0.109 0.000 2.063 124 K HA -0.281 4.039 4.320 -0.001 0.000 0.208 124 K C 1.779 178.326 176.600 -0.089 0.000 1.048 124 K CA 2.333 58.633 56.287 0.022 0.000 0.928 124 K CB -0.627 31.913 32.500 0.067 0.000 0.713 124 K HN -0.005 nan 8.250 nan 0.000 0.442 125 D N 0.225 120.570 120.400 -0.092 0.000 2.144 125 D HA -0.144 4.496 4.640 -0.001 0.000 0.199 125 D C 1.936 178.145 176.300 -0.153 0.000 0.984 125 D CA 0.956 54.892 54.000 -0.106 0.000 0.834 125 D CB 0.049 40.791 40.800 -0.097 0.000 0.955 125 D HN 0.226 nan 8.370 nan 0.000 0.465 126 L N -0.163 120.923 121.223 -0.228 0.000 2.083 126 L HA -0.143 4.197 4.340 -0.001 0.000 0.209 126 L C 2.438 179.122 176.870 -0.310 0.000 1.083 126 L CA 0.705 55.368 54.840 -0.295 0.000 0.752 126 L CB -0.313 41.482 42.059 -0.439 0.000 0.899 126 L HN 0.218 nan 8.230 nan 0.000 0.433 127 L N -0.900 120.111 121.223 -0.354 0.000 2.156 127 L HA -0.150 4.189 4.340 -0.001 0.000 0.208 127 L C 2.343 179.125 176.870 -0.147 0.000 1.095 127 L CA 1.102 55.784 54.840 -0.263 0.000 0.770 127 L CB -0.376 41.540 42.059 -0.238 0.000 0.914 127 L HN 0.284 nan 8.230 nan 0.000 0.439 128 E N -0.884 119.244 120.200 -0.120 0.000 2.122 128 E HA -0.079 4.271 4.350 -0.001 0.000 0.190 128 E C 0.410 176.968 176.600 -0.070 0.000 0.977 128 E CA 0.360 56.714 56.400 -0.076 0.000 0.820 128 E CB 0.284 29.950 29.700 -0.057 0.000 0.770 128 E HN 0.209 nan 8.360 nan 0.000 0.462 129 D N 0.166 120.516 120.400 -0.083 0.000 2.391 129 D HA 0.071 4.711 4.640 -0.001 0.000 0.245 129 D C -0.316 175.936 176.300 -0.080 0.000 1.069 129 D CA -0.221 53.738 54.000 -0.068 0.000 0.831 129 D CB 1.557 42.322 40.800 -0.059 0.000 1.204 129 D HN -0.015 nan 8.370 nan 0.000 0.503 130 T N 0.460 114.976 114.554 -0.063 0.000 3.339 130 T HA 0.288 4.638 4.350 -0.001 0.000 0.292 130 T C 0.674 175.348 174.700 -0.043 0.000 1.012 130 T CA -0.251 61.812 62.100 -0.063 0.000 0.937 130 T CB -0.002 68.832 68.868 -0.058 0.000 1.164 130 T HN 0.141 nan 8.240 nan 0.000 0.509 131 V N -0.213 119.679 119.914 -0.036 0.000 3.245 131 V HA 0.219 4.339 4.120 -0.001 0.000 0.246 131 V C 0.805 176.891 176.094 -0.013 0.000 1.487 131 V CA 0.128 62.416 62.300 -0.021 0.000 1.154 131 V CB 0.526 32.338 31.823 -0.017 0.000 0.971 131 V HN 0.488 nan 8.190 nan 0.000 0.443 132 T N 4.306 118.850 114.554 -0.017 0.000 2.751 132 T HA 0.221 4.570 4.350 -0.001 0.000 0.290 132 T C -2.441 172.258 174.700 -0.002 0.000 0.919 132 T CA -0.590 61.507 62.100 -0.005 0.000 1.136 132 T CB 0.739 69.603 68.868 -0.008 0.000 0.875 132 T HN 0.156 nan 8.240 nan 0.000 0.532 133 P HA 0.112 nan 4.420 nan 0.000 0.264 133 P C -0.220 177.081 177.300 0.001 0.000 1.183 133 P CA -0.013 63.102 63.100 0.025 0.000 0.763 133 P CB 0.363 32.126 31.700 0.105 0.000 0.807 134 I N 2.353 122.905 120.570 -0.030 0.000 2.396 134 I HA 0.156 4.325 4.170 -0.001 0.000 0.292 134 I C 0.903 177.001 176.117 -0.031 0.000 0.999 134 I CA -0.502 60.782 61.300 -0.027 0.000 1.310 134 I CB 0.882 38.853 38.000 -0.048 0.000 1.404 134 I HN 0.329 nan 8.210 nan 0.000 0.496 135 D N 4.422 124.819 120.400 -0.005 0.000 2.399 135 D HA 0.206 4.845 4.640 -0.001 0.000 0.241 135 D C -0.341 175.926 176.300 -0.055 0.000 1.133 135 D CA 0.290 54.276 54.000 -0.023 0.000 0.890 135 D CB 0.821 41.624 40.800 0.006 0.000 1.201 135 D HN 0.632 nan 8.370 nan 0.000 0.432 136 T N -0.814 113.680 114.554 -0.100 0.000 2.903 136 T HA 0.574 4.924 4.350 -0.001 0.000 0.299 136 T C -0.472 174.089 174.700 -0.232 0.000 1.093 136 T CA -0.976 61.026 62.100 -0.164 0.000 1.002 136 T CB 1.540 70.333 68.868 -0.124 0.000 1.127 136 T HN 0.218 nan 8.240 nan 0.000 0.488 137 T N 2.372 116.646 114.554 -0.467 0.000 2.829 137 T HA 0.606 4.956 4.350 -0.001 0.000 0.282 137 T C -0.441 174.031 174.700 -0.379 0.000 0.990 137 T CA -0.617 61.192 62.100 -0.485 0.000 1.028 137 T CB 0.733 69.144 68.868 -0.761 0.000 0.951 137 T HN 0.733 nan 8.240 nan 0.000 0.460 138 I N 4.126 124.628 120.570 -0.114 0.000 2.404 138 I HA 0.556 4.725 4.170 -0.001 0.000 0.293 138 I C -1.047 175.121 176.117 0.084 0.000 0.992 138 I CA -0.814 60.507 61.300 0.034 0.000 1.149 138 I CB 0.782 38.846 38.000 0.106 0.000 1.315 138 I HN 0.413 nan 8.210 nan 0.000 0.446 139 M N 6.149 125.844 119.600 0.158 0.000 2.619 139 M HA 0.510 4.990 4.480 -0.001 0.000 0.297 139 M C -0.709 175.661 176.300 0.116 0.000 1.229 139 M CA -0.640 54.751 55.300 0.151 0.000 0.860 139 M CB 1.884 34.624 32.600 0.233 0.000 1.741 139 M HN 0.605 nan 8.290 nan 0.000 0.462 140 A N 2.466 125.334 122.820 0.080 0.000 2.260 140 A HA 0.524 4.843 4.320 -0.001 0.000 0.308 140 A C 0.020 177.641 177.584 0.062 0.000 1.254 140 A CA -0.630 51.443 52.037 0.060 0.000 0.874 140 A CB 0.285 19.306 19.000 0.036 0.000 1.153 140 A HN 0.636 nan 8.150 nan 0.000 0.527 141 K N 2.180 122.619 120.400 0.065 0.000 2.436 141 K HA 0.037 4.357 4.320 -0.001 0.000 0.275 141 K C -0.488 176.122 176.600 0.017 0.000 0.999 141 K CA 0.313 56.626 56.287 0.043 0.000 0.980 141 K CB 0.451 32.984 32.500 0.056 0.000 0.919 141 K HN 0.743 nan 8.250 nan 0.000 0.484 142 N N 2.758 121.439 118.700 -0.031 0.000 2.609 142 N HA 0.102 4.842 4.740 -0.001 0.000 0.234 142 N C -0.936 174.453 175.510 -0.203 0.000 1.001 142 N CA -0.258 52.737 53.050 -0.091 0.000 0.926 142 N CB 0.931 39.366 38.487 -0.086 0.000 1.130 142 N HN 0.365 nan 8.380 nan 0.000 0.510 143 E N 1.001 121.064 120.200 -0.228 0.000 2.256 143 E HA 0.406 4.755 4.350 -0.001 0.000 0.267 143 E C -0.739 175.442 176.600 -0.698 0.000 0.892 143 E CA -0.934 55.204 56.400 -0.438 0.000 0.775 143 E CB 2.688 32.180 29.700 -0.347 0.000 1.207 143 E HN 0.070 nan 8.360 nan 0.000 0.420 144 V N 3.162 122.535 119.914 -0.902 0.000 2.439 144 V HA 0.436 4.556 4.120 -0.001 0.000 0.282 144 V C -0.728 174.736 176.094 -1.050 0.000 1.039 144 V CA -0.113 61.670 62.300 -0.862 0.000 0.913 144 V CB 0.077 31.512 31.823 -0.648 0.000 0.983 144 V HN 0.514 nan 8.190 nan 0.000 0.460 145 F N 2.205 121.831 119.950 -0.540 0.000 2.726 145 F HA 0.634 5.161 4.527 -0.000 0.000 0.324 145 F C -0.044 175.597 175.800 -0.265 0.000 1.140 145 F CA -0.809 56.956 58.000 -0.392 0.000 0.964 145 F CB 1.368 40.131 39.000 -0.394 0.000 1.399 145 F HN 0.516 nan 8.300 nan 0.000 0.491 146 C N 2.740 122.170 119.300 0.217 0.000 2.351 146 C HA 0.800 5.260 4.460 -0.001 0.000 0.326 146 C C -0.160 175.044 174.990 0.357 0.000 1.272 146 C CA -0.761 58.409 59.018 0.253 0.000 1.650 146 C CB -0.072 27.762 27.740 0.156 0.000 2.257 146 C HN 0.737 nan 8.230 nan 0.000 0.505 147 V N 5.492 125.637 119.914 0.384 0.000 2.928 147 V HA 0.224 4.343 4.120 -0.001 0.000 0.307 147 V C 0.023 176.193 176.094 0.127 0.000 1.105 147 V CA 0.360 62.798 62.300 0.230 0.000 1.223 147 V CB -0.046 31.840 31.823 0.105 0.000 0.930 147 V HN 0.976 nan 8.190 nan 0.000 0.499 155 K N 2.485 122.918 120.400 0.055 0.000 2.144 155 K HA 0.482 4.802 4.320 -0.001 0.000 0.270 155 K C -2.190 174.448 176.600 0.064 0.000 1.005 155 K CA -1.513 54.774 56.287 0.000 0.000 0.932 155 K CB 1.139 33.555 32.500 -0.139 0.000 1.021 155 K HN 0.156 nan 8.250 nan 0.000 0.462 156 P HA 0.023 nan 4.420 nan 0.000 0.274 156 P C -0.581 176.762 177.300 0.071 0.000 1.231 156 P CA -0.397 62.729 63.100 0.044 0.000 0.790 156 P CB 0.856 32.561 31.700 0.009 0.000 0.951 157 A N 3.592 126.462 122.820 0.083 0.000 2.531 157 A HA 0.090 4.410 4.320 -0.001 0.000 0.236 157 A C 0.739 178.370 177.584 0.078 0.000 1.062 157 A CA -0.037 52.058 52.037 0.097 0.000 0.760 157 A CB -0.264 18.781 19.000 0.074 0.000 0.995 157 A HN 0.484 nan 8.150 nan 0.000 0.501 158 R N 0.491 121.053 120.500 0.102 0.000 2.637 158 R HA 0.467 4.807 4.340 -0.001 0.000 0.269 158 R C -0.700 175.654 176.300 0.091 0.000 1.089 158 R CA -0.375 55.785 56.100 0.099 0.000 1.177 158 R CB 0.433 30.808 30.300 0.124 0.000 1.091 158 R HN 0.663 nan 8.270 nan 0.000 0.540 159 L N 2.361 123.645 121.223 0.102 0.000 2.309 159 L HA 0.459 4.799 4.340 -0.001 0.000 0.282 159 L C -0.445 176.518 176.870 0.155 0.000 1.036 159 L CA -0.909 53.997 54.840 0.110 0.000 0.806 159 L CB 1.468 43.580 42.059 0.088 0.000 1.220 159 L HN 0.434 nan 8.230 nan 0.000 0.429 160 I N 3.583 124.258 120.570 0.176 0.000 2.433 160 I HA 0.510 4.679 4.170 -0.001 0.000 0.292 160 I C -0.809 175.485 176.117 0.296 0.000 1.001 160 I CA -0.362 61.076 61.300 0.229 0.000 1.119 160 I CB 1.867 39.995 38.000 0.213 0.000 1.289 160 I HN 0.190 nan 8.210 nan 0.000 0.438 161 V N 8.711 128.805 119.914 0.300 0.000 2.531 161 V HA 0.617 4.736 4.120 -0.001 0.000 0.301 161 V C -0.810 175.468 176.094 0.308 0.000 1.034 161 V CA -0.516 61.919 62.300 0.225 0.000 0.865 161 V CB 1.157 33.081 31.823 0.169 0.000 0.995 161 V HN 0.611 nan 8.190 nan 0.000 0.424 162 F N 4.576 124.576 119.950 0.083 0.000 2.619 162 F HA 0.950 5.476 4.527 -0.001 0.000 0.308 162 F C -3.103 172.740 175.800 0.072 0.000 1.097 162 F CA -2.667 55.383 58.000 0.083 0.000 0.953 162 F CB 1.705 40.750 39.000 0.075 0.000 1.287 162 F HN 0.308 nan 8.300 nan 0.000 0.446 163 P HA 0.187 nan 4.420 nan 0.000 0.281 163 P C -1.032 176.379 177.300 0.185 0.000 1.281 163 P CA -0.176 62.978 63.100 0.090 0.000 0.811 163 P CB 1.284 33.045 31.700 0.101 0.000 1.154 164 D N -0.577 119.912 120.400 0.149 0.000 2.419 164 D HA -0.077 4.563 4.640 -0.001 0.000 0.236 164 D C 1.352 177.780 176.300 0.213 0.000 1.165 164 D CA -0.215 53.904 54.000 0.199 0.000 0.882 164 D CB 0.281 41.240 40.800 0.265 0.000 1.201 164 D HN 0.108 nan 8.370 nan 0.000 0.443 165 L N 3.507 124.840 121.223 0.183 0.000 2.051 165 L HA -0.043 4.297 4.340 -0.001 0.000 0.214 165 L C 2.054 179.063 176.870 0.233 0.000 1.076 165 L CA 2.621 57.564 54.840 0.171 0.000 0.758 165 L CB -1.100 41.019 42.059 0.100 0.000 0.890 165 L HN 0.659 nan 8.230 nan 0.000 0.433 166 G N -1.260 107.725 108.800 0.309 0.000 2.440 166 G HA2 -0.212 3.748 3.960 -0.001 0.000 0.218 166 G HA3 -0.212 3.748 3.960 -0.001 0.000 0.218 166 G C 1.523 176.549 174.900 0.211 0.000 1.154 166 G CA 1.126 46.451 45.100 0.376 0.000 0.767 166 G HN 0.367 nan 8.290 nan 0.000 0.552 167 V N 0.739 120.758 119.914 0.176 0.000 2.358 167 V HA -0.160 3.960 4.120 -0.001 0.000 0.246 167 V C 2.915 179.093 176.094 0.140 0.000 1.047 167 V CA 1.879 64.253 62.300 0.123 0.000 1.035 167 V CB -0.479 31.401 31.823 0.096 0.000 0.658 167 V HN 0.323 nan 8.190 nan 0.000 0.452 168 R N -0.170 120.425 120.500 0.158 0.000 2.081 168 R HA -0.126 4.214 4.340 -0.001 0.000 0.235 168 R C 2.256 178.634 176.300 0.130 0.000 1.131 168 R CA 1.528 57.719 56.100 0.152 0.000 0.960 168 R CB -0.690 29.699 30.300 0.147 0.000 0.856 168 R HN 0.424 nan 8.270 nan 0.000 0.436 169 V N 0.483 120.469 119.914 0.119 0.000 2.490 169 V HA -0.293 3.827 4.120 -0.001 0.000 0.250 169 V C 2.466 178.611 176.094 0.085 0.000 1.061 169 V CA 1.487 63.831 62.300 0.073 0.000 1.064 169 V CB -0.470 31.386 31.823 0.056 0.000 0.670 169 V HN 0.458 nan 8.190 nan 0.000 0.461 170 C N -0.192 119.198 119.300 0.149 0.000 2.440 170 C HA -0.113 4.347 4.460 -0.001 0.000 0.278 170 C C 2.659 177.827 174.990 0.297 0.000 1.295 170 C CA 0.777 59.962 59.018 0.278 0.000 1.738 170 C CB -0.905 27.020 27.740 0.308 0.000 1.987 170 C HN 0.623 nan 8.230 nan 0.000 0.492 171 E N 0.880 121.206 120.200 0.210 0.000 2.085 171 E HA -0.223 4.126 4.350 -0.001 0.000 0.194 171 E C 2.132 178.858 176.600 0.211 0.000 0.994 171 E CA 1.190 57.722 56.400 0.221 0.000 0.801 171 E CB -0.145 29.694 29.700 0.232 0.000 0.743 171 E HN 0.636 nan 8.360 nan 0.000 0.453 172 K N 0.395 120.895 120.400 0.166 0.000 2.057 172 K HA -0.115 4.205 4.320 -0.001 0.000 0.207 172 K C 2.207 178.884 176.600 0.127 0.000 1.049 172 K CA 1.392 57.768 56.287 0.147 0.000 0.931 172 K CB -0.134 32.384 32.500 0.029 0.000 0.714 172 K HN 0.116 nan 8.250 nan 0.000 0.440 173 M N 0.210 119.852 119.600 0.069 0.000 2.108 173 M HA -0.185 4.295 4.480 -0.001 0.000 0.261 173 M C 2.353 178.710 176.300 0.095 0.000 1.066 173 M CA 1.829 57.111 55.300 -0.030 0.000 1.107 173 M CB -0.283 32.137 32.600 -0.300 0.000 1.356 173 M HN 0.244 nan 8.290 nan 0.000 0.406 174 A N -0.897 122.093 122.820 0.284 0.000 2.044 174 A HA 0.167 4.487 4.320 -0.001 0.000 0.213 174 A C 1.766 179.445 177.584 0.159 0.000 1.169 174 A CA 0.697 52.919 52.037 0.309 0.000 0.724 174 A CB -0.029 19.211 19.000 0.401 0.000 0.840 174 A HN 0.471 nan 8.150 nan 0.000 0.463 175 L N -2.794 118.513 121.223 0.139 0.000 2.920 175 L HA 0.192 4.532 4.340 -0.001 0.000 0.257 175 L C 1.855 178.755 176.870 0.050 0.000 1.150 175 L CA 0.038 54.898 54.840 0.033 0.000 0.959 175 L CB -0.010 42.036 42.059 -0.022 0.000 1.321 175 L HN 0.440 nan 8.230 nan 0.000 0.555 176 Y N 1.589 121.906 120.300 0.029 0.000 2.128 176 Y HA -0.346 4.204 4.550 -0.001 0.000 0.284 176 Y C 2.209 178.140 175.900 0.053 0.000 1.154 176 Y CA 2.314 60.447 58.100 0.055 0.000 1.149 176 Y CB 0.057 38.543 38.460 0.042 0.000 0.976 176 Y HN 0.229 nan 8.280 nan 0.000 0.505 177 D N -0.856 119.571 120.400 0.044 0.000 2.144 177 D HA -0.157 4.482 4.640 -0.001 0.000 0.200 177 D C 2.195 178.428 176.300 -0.112 0.000 0.978 177 D CA 1.346 55.321 54.000 -0.043 0.000 0.833 177 D CB -0.190 40.640 40.800 0.050 0.000 0.961 177 D HN 0.261 nan 8.370 nan 0.000 0.470 178 V N 0.397 120.249 119.914 -0.103 0.000 2.261 178 V HA -0.214 3.905 4.120 -0.001 0.000 0.246 178 V C 2.685 178.667 176.094 -0.187 0.000 1.047 178 V CA 1.783 63.999 62.300 -0.139 0.000 1.015 178 V CB -0.608 31.097 31.823 -0.197 0.000 0.642 178 V HN 0.340 nan 8.190 nan 0.000 0.446 179 V N -2.347 117.434 119.914 -0.222 0.000 2.913 179 V HA -0.110 4.010 4.120 -0.001 0.000 0.260 179 V C 2.015 177.967 176.094 -0.237 0.000 1.098 179 V CA 2.137 64.308 62.300 -0.215 0.000 1.121 179 V CB -0.483 31.237 31.823 -0.172 0.000 0.714 179 V HN 0.462 nan 8.190 nan 0.000 0.487 180 S N 0.860 116.405 115.700 -0.257 0.000 2.478 180 S HA -0.014 4.455 4.470 -0.001 0.000 0.222 180 S C 1.873 176.384 174.600 -0.149 0.000 1.008 180 S CA 1.337 59.407 58.200 -0.217 0.000 0.928 180 S CB 0.064 63.069 63.200 -0.326 0.000 0.781 180 S HN 0.953 nan 8.310 nan 0.000 0.518 181 T N -1.133 113.328 114.554 -0.156 0.000 2.989 181 T HA 0.243 4.592 4.350 -0.001 0.000 0.250 181 T C 1.591 176.192 174.700 -0.166 0.000 0.981 181 T CA -0.087 61.935 62.100 -0.130 0.000 0.980 181 T CB -0.487 68.330 68.868 -0.085 0.000 1.133 181 T HN 0.140 nan 8.240 nan 0.000 0.489 182 L N 2.816 123.940 121.223 -0.165 0.000 2.012 182 L HA 0.183 4.522 4.340 -0.001 0.000 0.210 182 L C -0.970 175.744 176.870 -0.261 0.000 1.073 182 L CA 1.978 56.726 54.840 -0.154 0.000 0.748 182 L CB -1.169 40.848 42.059 -0.071 0.000 0.891 182 L HN 0.108 nan 8.230 nan 0.000 0.431 183 P HA -0.243 nan 4.420 nan 0.000 0.214 183 P C 1.481 178.341 177.300 -0.734 0.000 1.163 183 P CA 1.535 64.203 63.100 -0.720 0.000 0.889 183 P CB -0.223 30.710 31.700 -1.278 0.000 0.790 184 Q N -0.022 119.388 119.800 -0.650 0.000 2.170 184 Q HA -0.110 4.230 4.340 -0.001 0.000 0.203 184 Q C 1.935 177.801 176.000 -0.222 0.000 0.976 184 Q CA 1.477 57.087 55.803 -0.323 0.000 0.858 184 Q CB -0.712 27.938 28.738 -0.146 0.000 0.907 184 Q HN 0.086 nan 8.270 nan 0.000 0.433 185 V N -0.018 119.771 119.914 -0.208 0.000 2.379 185 V HA -0.191 3.928 4.120 -0.001 0.000 0.245 185 V C 2.490 178.492 176.094 -0.152 0.000 1.044 185 V CA 1.373 63.587 62.300 -0.142 0.000 1.036 185 V CB -0.383 31.374 31.823 -0.110 0.000 0.664 185 V HN 0.126 nan 8.190 nan 0.000 0.453 186 V N -0.619 119.172 119.914 -0.206 0.000 2.379 186 V HA -0.161 3.959 4.120 -0.001 0.000 0.245 186 V C 2.052 177.961 176.094 -0.307 0.000 1.044 186 V CA 2.006 64.179 62.300 -0.213 0.000 1.036 186 V CB -0.417 31.275 31.823 -0.219 0.000 0.664 186 V HN 0.472 nan 8.190 nan 0.000 0.453 187 M N -1.046 118.298 119.600 -0.426 0.000 2.382 187 M HA 0.371 4.851 4.480 -0.001 0.000 0.247 187 M C 1.454 177.623 176.300 -0.219 0.000 1.104 187 M CA 0.760 55.724 55.300 -0.561 0.000 1.030 187 M CB 0.327 32.468 32.600 -0.765 0.000 1.424 187 M HN 0.444 nan 8.290 nan 0.000 0.486 188 G N 1.621 110.327 108.800 -0.157 0.000 2.596 188 G HA2 -0.389 3.570 3.960 -0.001 0.000 0.295 188 G HA3 -0.389 3.570 3.960 -0.001 0.000 0.295 188 G C 0.829 175.682 174.900 -0.078 0.000 1.240 188 G CA 0.789 45.841 45.100 -0.080 0.000 0.985 188 G HN 0.531 nan 8.290 nan 0.000 0.555 189 S N -0.619 115.058 115.700 -0.038 0.000 2.500 189 S HA 0.026 4.496 4.470 -0.001 0.000 0.239 189 S C 2.200 176.691 174.600 -0.181 0.000 0.989 189 S CA 2.040 60.175 58.200 -0.109 0.000 0.951 189 S CB -0.160 63.039 63.200 -0.002 0.000 0.759 189 S HN 1.052 nan 8.310 nan 0.000 0.523 190 S N 0.174 115.873 115.700 -0.003 0.000 2.481 190 S HA 0.107 4.576 4.470 -0.001 0.000 0.231 190 S C 0.287 174.902 174.600 0.026 0.000 0.996 190 S CA -0.057 58.197 58.200 0.090 0.000 0.942 190 S CB -0.420 62.927 63.200 0.245 0.000 0.768 190 S HN 0.700 nan 8.310 nan 0.000 0.520 191 Y N 3.073 123.242 120.300 -0.218 0.000 2.587 191 Y HA 0.415 4.964 4.550 -0.001 0.000 0.344 191 Y C 1.283 176.984 175.900 -0.331 0.000 1.061 191 Y CA -1.290 56.651 58.100 -0.264 0.000 1.370 191 Y CB 0.030 38.328 38.460 -0.270 0.000 1.163 191 Y HN 0.059 nan 8.280 nan 0.000 0.527 192 G N 4.626 113.032 108.800 -0.656 0.000 2.422 192 G HA2 -0.256 3.704 3.960 -0.001 0.000 0.218 192 G HA3 -0.256 3.704 3.960 -0.001 0.000 0.218 192 G C 1.053 175.464 174.900 -0.815 0.000 1.140 192 G CA 0.216 44.935 45.100 -0.635 0.000 0.775 192 G HN 0.641 nan 8.290 nan 0.000 0.545 193 F N 1.399 120.691 119.950 -1.096 0.000 2.771 193 F HA 0.043 4.570 4.527 -0.001 0.000 0.299 193 F C 2.771 178.379 175.800 -0.319 0.000 1.177 193 F CA 0.793 58.281 58.000 -0.854 0.000 1.450 193 F CB -0.131 38.331 39.000 -0.897 0.000 1.114 193 F HN 0.395 nan 8.300 nan 0.000 0.587 194 Q N -0.960 118.614 119.800 -0.377 0.000 2.425 194 Q HA -0.035 4.305 4.340 -0.001 0.000 0.204 194 Q C -0.579 175.300 176.000 -0.201 0.000 0.933 194 Q CA 0.589 56.265 55.803 -0.212 0.000 0.939 194 Q CB -0.216 28.292 28.738 -0.383 0.000 1.044 194 Q HN 0.285 nan 8.270 nan 0.000 0.513 195 Y N 1.647 121.965 120.300 0.029 0.000 2.361 195 Y HA 0.352 4.901 4.550 -0.001 0.000 0.332 195 Y C 0.581 176.377 175.900 -0.174 0.000 1.101 195 Y CA -1.252 56.814 58.100 -0.057 0.000 1.137 195 Y CB 1.545 39.926 38.460 -0.131 0.000 1.207 195 Y HN 0.095 nan 8.280 nan 0.000 0.463 196 S N 1.847 117.342 115.700 -0.343 0.000 2.645 196 S HA 0.330 4.800 4.470 -0.001 0.000 0.266 196 S C -2.077 172.203 174.600 -0.534 0.000 1.258 196 S CA -1.183 56.283 58.200 -1.223 0.000 0.990 196 S CB 1.485 64.027 63.200 -1.098 0.000 0.967 196 S HN 0.406 nan 8.310 nan 0.000 0.556 197 P HA -0.038 nan 4.420 nan 0.000 0.215 197 P C 1.712 178.945 177.300 -0.112 0.000 1.157 197 P CA 1.848 64.836 63.100 -0.187 0.000 0.874 197 P CB -0.519 31.122 31.700 -0.099 0.000 0.790 198 G N -0.350 108.358 108.800 -0.154 0.000 2.418 198 G HA2 -0.275 3.684 3.960 -0.001 0.000 0.217 198 G HA3 -0.275 3.684 3.960 -0.001 0.000 0.217 198 G C 1.486 176.337 174.900 -0.082 0.000 1.158 198 G CA 0.627 45.686 45.100 -0.068 0.000 0.771 198 G HN 0.326 nan 8.290 nan 0.000 0.545 199 Q N -0.458 119.273 119.800 -0.115 0.000 2.224 199 Q HA 0.012 4.351 4.340 -0.001 0.000 0.203 199 Q C 2.549 178.410 176.000 -0.232 0.000 0.970 199 Q CA 0.783 56.527 55.803 -0.099 0.000 0.865 199 Q CB -0.113 28.640 28.738 0.025 0.000 0.922 199 Q HN 0.470 nan 8.270 nan 0.000 0.445 200 R N 0.555 120.946 120.500 -0.182 0.000 2.066 200 R HA -0.123 4.217 4.340 -0.001 0.000 0.232 200 R C 2.086 178.297 176.300 -0.148 0.000 1.131 200 R CA 1.154 57.126 56.100 -0.214 0.000 0.955 200 R CB -0.129 30.131 30.300 -0.067 0.000 0.851 200 R HN 0.093 nan 8.270 nan 0.000 0.432 201 V N 1.643 121.495 119.914 -0.103 0.000 2.287 201 V HA -0.268 3.852 4.120 -0.001 0.000 0.248 201 V C 2.416 178.428 176.094 -0.137 0.000 1.053 201 V CA 2.311 64.550 62.300 -0.102 0.000 1.027 201 V CB -0.651 31.150 31.823 -0.037 0.000 0.646 201 V HN 0.521 nan 8.190 nan 0.000 0.447 202 E N -0.310 119.826 120.200 -0.106 0.000 2.070 202 E HA -0.310 4.039 4.350 -0.001 0.000 0.197 202 E C 2.151 178.686 176.600 -0.109 0.000 1.004 202 E CA 2.036 58.378 56.400 -0.096 0.000 0.805 202 E CB -0.292 29.374 29.700 -0.056 0.000 0.744 202 E HN 0.527 nan 8.360 nan 0.000 0.451 203 F N 1.249 121.008 119.950 -0.318 0.000 2.134 203 F HA -0.158 4.368 4.527 -0.001 0.000 0.299 203 F C 1.980 177.645 175.800 -0.225 0.000 1.097 203 F CA 1.401 59.200 58.000 -0.335 0.000 1.264 203 F CB -0.291 38.324 39.000 -0.642 0.000 1.001 203 F HN 0.025 nan 8.300 nan 0.000 0.479 204 L N -0.861 120.200 121.223 -0.270 0.000 2.017 204 L HA -0.225 4.114 4.340 -0.001 0.000 0.208 204 L C 2.409 179.116 176.870 -0.272 0.000 1.073 204 L CA 1.177 55.837 54.840 -0.302 0.000 0.745 204 L CB -0.900 41.040 42.059 -0.198 0.000 0.894 204 L HN -0.012 nan 8.230 nan 0.000 0.432 205 V N 0.139 119.881 119.914 -0.286 0.000 2.295 205 V HA -0.279 3.841 4.120 -0.001 0.000 0.246 205 V C 2.226 178.209 176.094 -0.184 0.000 1.049 205 V CA 1.877 63.990 62.300 -0.311 0.000 1.024 205 V CB -0.688 30.829 31.823 -0.511 0.000 0.648 205 V HN 0.493 nan 8.190 nan 0.000 0.447 206 N N -0.060 118.524 118.700 -0.194 0.000 2.188 206 N HA -0.126 4.614 4.740 -0.001 0.000 0.184 206 N C 1.909 177.315 175.510 -0.173 0.000 1.018 206 N CA 1.863 54.825 53.050 -0.146 0.000 0.858 206 N CB -0.520 37.898 38.487 -0.116 0.000 0.989 206 N HN 0.456 nan 8.380 nan 0.000 0.426 207 T N 0.595 114.968 114.554 -0.302 0.000 2.777 207 T HA -0.132 4.218 4.350 -0.001 0.000 0.266 207 T C 1.481 176.095 174.700 -0.144 0.000 1.040 207 T CA 0.593 62.503 62.100 -0.317 0.000 1.141 207 T CB -0.182 68.350 68.868 -0.560 0.000 0.868 207 T HN 0.433 nan 8.240 nan 0.000 0.444 208 W N 2.312 123.448 121.300 -0.272 0.000 2.358 208 W HA -0.064 4.596 4.660 -0.001 0.000 0.303 208 W C 1.579 178.010 176.519 -0.146 0.000 1.208 208 W CA 1.090 58.316 57.345 -0.197 0.000 1.274 208 W CB -0.120 29.220 29.460 -0.201 0.000 1.138 208 W HN 0.253 nan 8.180 nan 0.000 0.515 209 K N 0.239 120.657 120.400 0.031 0.000 2.432 209 K HA -0.076 4.244 4.320 -0.001 0.000 0.196 209 K C 1.975 178.522 176.600 -0.089 0.000 1.038 209 K CA 1.237 57.508 56.287 -0.026 0.000 0.986 209 K CB -0.150 32.356 32.500 0.010 0.000 0.782 209 K HN 0.032 nan 8.250 nan 0.000 0.485 210 S N 0.527 116.159 115.700 -0.113 0.000 2.561 210 S HA 0.037 4.507 4.470 -0.001 0.000 0.225 210 S C 0.451 174.972 174.600 -0.130 0.000 0.977 210 S CA 0.118 58.254 58.200 -0.106 0.000 0.926 210 S CB 0.049 63.187 63.200 -0.103 0.000 0.769 210 S HN -0.034 nan 8.310 nan 0.000 0.533 211 K N 1.381 121.664 120.400 -0.194 0.000 2.138 211 K HA 0.437 4.757 4.320 -0.001 0.000 0.263 211 K C 0.227 176.709 176.600 -0.197 0.000 0.965 211 K CA -0.539 55.621 56.287 -0.212 0.000 0.868 211 K CB 1.584 33.898 32.500 -0.310 0.000 1.083 211 K HN -0.046 nan 8.250 nan 0.000 0.443 212 K N 1.033 121.348 120.400 -0.142 0.000 2.002 212 K HA -0.044 4.275 4.320 -0.001 0.000 0.209 212 K C 0.205 176.726 176.600 -0.132 0.000 1.048 212 K CA 1.340 57.561 56.287 -0.110 0.000 0.930 212 K CB 0.175 32.629 32.500 -0.077 0.000 0.714 212 K HN 0.455 nan 8.250 nan 0.000 0.438 213 N N 1.104 119.714 118.700 -0.149 0.000 2.804 213 N HA 0.191 4.930 4.740 -0.001 0.000 0.251 213 N C -2.854 172.517 175.510 -0.231 0.000 1.250 213 N CA -1.216 51.748 53.050 -0.144 0.000 0.820 213 N CB 1.514 39.956 38.487 -0.076 0.000 1.156 213 N HN 0.062 nan 8.380 nan 0.000 0.512 214 P HA 0.081 nan 4.420 nan 0.000 0.268 214 P C -0.271 176.627 177.300 -0.669 0.000 1.205 214 P CA -0.119 62.466 63.100 -0.859 0.000 0.771 214 P CB 1.148 31.718 31.700 -1.883 0.000 0.858 215 M N 2.531 121.830 119.600 -0.502 0.000 2.371 215 M HA 0.617 5.096 4.480 -0.001 0.000 0.287 215 M C -1.338 174.907 176.300 -0.092 0.000 1.149 215 M CA -0.249 54.898 55.300 -0.254 0.000 0.929 215 M CB 2.425 34.950 32.600 -0.124 0.000 1.683 215 M HN 0.581 nan 8.290 nan 0.000 0.470 216 G N 3.682 112.540 108.800 0.096 0.000 2.672 216 G HA2 0.872 4.832 3.960 -0.001 0.000 0.292 216 G HA3 0.872 4.832 3.960 -0.001 0.000 0.292 216 G C -2.008 172.989 174.900 0.161 0.000 1.375 216 G CA -0.646 44.534 45.100 0.132 0.000 0.890 216 G HN 0.851 nan 8.290 nan 0.000 0.476 217 F N -0.721 119.194 119.950 -0.058 0.000 2.678 217 F HA 0.777 5.304 4.527 -0.000 0.000 0.308 217 F C -0.320 175.467 175.800 -0.023 0.000 1.118 217 F CA -1.371 56.594 58.000 -0.057 0.000 0.959 217 F CB 1.313 40.265 39.000 -0.079 0.000 1.305 217 F HN 0.676 nan 8.300 nan 0.000 0.443 218 S N 1.113 116.914 115.700 0.168 0.000 2.549 218 S HA 0.673 5.142 4.470 -0.001 0.000 0.297 218 S C -1.649 173.141 174.600 0.318 0.000 1.115 218 S CA -0.607 57.662 58.200 0.115 0.000 1.059 218 S CB 1.758 64.996 63.200 0.062 0.000 1.046 218 S HN 0.878 nan 8.310 nan 0.000 0.506 219 Y N 1.521 121.935 120.300 0.189 0.000 2.345 219 Y HA 0.439 4.988 4.550 -0.001 0.000 0.331 219 Y C -0.939 175.083 175.900 0.203 0.000 0.959 219 Y CA -0.882 57.388 58.100 0.283 0.000 1.204 219 Y CB 1.288 40.015 38.460 0.446 0.000 1.135 219 Y HN 0.890 nan 8.280 nan 0.000 0.477 220 D N 4.394 124.651 120.400 -0.239 0.000 2.396 220 D HA 0.213 4.853 4.640 -0.001 0.000 0.225 220 D C -0.679 175.489 176.300 -0.221 0.000 1.121 220 D CA -0.077 53.843 54.000 -0.132 0.000 0.853 220 D CB 0.918 41.670 40.800 -0.080 0.000 1.043 220 D HN 0.444 nan 8.370 nan 0.000 0.500 221 T N 3.953 118.533 114.554 0.045 0.000 2.884 221 T HA 0.120 4.469 4.350 -0.001 0.000 0.298 221 T C 0.357 175.140 174.700 0.138 0.000 0.998 221 T CA -0.479 61.725 62.100 0.173 0.000 1.124 221 T CB 0.755 69.938 68.868 0.524 0.000 0.931 221 T HN 0.269 nan 8.240 nan 0.000 0.531 222 R N 2.362 122.907 120.500 0.075 0.000 2.288 222 R HA 0.112 4.452 4.340 -0.001 0.000 0.330 222 R C -0.280 176.106 176.300 0.144 0.000 1.069 222 R CA -0.113 56.022 56.100 0.058 0.000 0.941 222 R CB -0.873 29.409 30.300 -0.031 0.000 0.998 222 R HN 0.979 nan 8.270 nan 0.000 0.452 223 C N 5.742 125.155 119.300 0.188 0.000 3.514 223 C HA -0.179 4.281 4.460 -0.001 0.000 0.286 223 C C 1.534 176.719 174.990 0.325 0.000 1.302 223 C CA 0.177 59.355 59.018 0.265 0.000 2.239 223 C CB -2.967 24.962 27.740 0.315 0.000 1.429 223 C HN 0.995 nan 8.230 nan 0.000 0.565 224 F N 1.969 122.027 119.950 0.180 0.000 2.063 224 F HA -0.240 4.287 4.527 -0.000 0.000 0.298 224 F C 1.954 177.863 175.800 0.181 0.000 1.105 224 F CA 2.560 60.669 58.000 0.182 0.000 1.215 224 F CB -0.071 39.026 39.000 0.161 0.000 0.972 224 F HN 0.490 nan 8.300 nan 0.000 0.483 225 D N -0.353 120.312 120.400 0.441 0.000 2.149 225 D HA -0.194 4.446 4.640 -0.001 0.000 0.194 225 D C 2.429 178.819 176.300 0.150 0.000 1.001 225 D CA 1.845 56.027 54.000 0.304 0.000 0.849 225 D CB -0.577 40.394 40.800 0.285 0.000 0.939 225 D HN 0.275 nan 8.370 nan 0.000 0.449 226 S N -0.777 115.032 115.700 0.182 0.000 2.453 226 S HA -0.093 4.377 4.470 -0.001 0.000 0.231 226 S C 1.972 176.566 174.600 -0.010 0.000 1.005 226 S CA 1.309 59.543 58.200 0.057 0.000 0.949 226 S CB -0.199 63.094 63.200 0.156 0.000 0.774 226 S HN 0.534 nan 8.310 nan 0.000 0.510 227 T N -0.496 114.112 114.554 0.091 0.000 3.088 227 T HA 0.144 4.494 4.350 -0.001 0.000 0.259 227 T C 0.558 175.189 174.700 -0.114 0.000 1.122 227 T CA -0.014 62.115 62.100 0.048 0.000 1.095 227 T CB -0.376 68.471 68.868 -0.036 0.000 0.930 227 T HN 0.034 nan 8.240 nan 0.000 0.508 228 V N 4.083 123.906 119.914 -0.152 0.000 2.439 228 V HA 0.328 4.448 4.120 -0.001 0.000 0.271 228 V C 1.129 177.179 176.094 -0.074 0.000 1.040 228 V CA -0.336 61.894 62.300 -0.118 0.000 1.002 228 V CB 0.036 31.837 31.823 -0.037 0.000 1.000 228 V HN 0.707 nan 8.190 nan 0.000 0.477 229 T N 0.814 115.332 114.554 -0.059 0.000 2.897 229 T HA 0.300 4.650 4.350 -0.001 0.000 0.278 229 T C 1.062 175.749 174.700 -0.023 0.000 0.981 229 T CA -0.312 61.759 62.100 -0.049 0.000 0.973 229 T CB 1.457 70.286 68.868 -0.065 0.000 1.092 229 T HN 0.672 nan 8.240 nan 0.000 0.543 230 E N 0.395 120.589 120.200 -0.010 0.000 2.085 230 E HA -0.273 4.077 4.350 -0.001 0.000 0.194 230 E C 1.939 178.545 176.600 0.009 0.000 0.994 230 E CA 1.655 58.062 56.400 0.012 0.000 0.801 230 E CB -0.235 29.482 29.700 0.028 0.000 0.743 230 E HN 0.777 nan 8.360 nan 0.000 0.453 231 N N 0.710 119.404 118.700 -0.010 0.000 2.069 231 N HA -0.204 4.536 4.740 -0.001 0.000 0.191 231 N C 1.482 177.000 175.510 0.014 0.000 1.031 231 N CA 2.135 55.181 53.050 -0.007 0.000 0.852 231 N CB -0.128 38.334 38.487 -0.040 0.000 1.018 231 N HN 0.127 nan 8.380 nan 0.000 0.423 232 D N 0.195 120.602 120.400 0.011 0.000 2.104 232 D HA -0.138 4.502 4.640 -0.001 0.000 0.194 232 D C 2.013 178.324 176.300 0.018 0.000 0.994 232 D CA 1.140 55.159 54.000 0.032 0.000 0.830 232 D CB -0.322 40.491 40.800 0.022 0.000 0.959 232 D HN 0.463 nan 8.370 nan 0.000 0.452 233 I N 0.599 121.183 120.570 0.022 0.000 2.286 233 I HA -0.213 3.956 4.170 -0.001 0.000 0.248 233 I C 2.501 178.630 176.117 0.020 0.000 1.115 233 I CA 0.954 62.275 61.300 0.034 0.000 1.392 233 I CB -0.106 37.937 38.000 0.071 0.000 1.065 233 I HN -0.098 nan 8.210 nan 0.000 0.418 234 R N 0.028 120.539 120.500 0.018 0.000 2.090 234 R HA -0.063 4.276 4.340 -0.001 0.000 0.228 234 R C 2.324 178.608 176.300 -0.027 0.000 1.110 234 R CA 0.911 57.017 56.100 0.010 0.000 0.973 234 R CB -0.291 30.019 30.300 0.017 0.000 0.869 234 R HN 0.202 nan 8.270 nan 0.000 0.440 235 V N 1.396 121.295 119.914 -0.026 0.000 2.343 235 V HA -0.239 3.880 4.120 -0.001 0.000 0.247 235 V C 1.924 177.928 176.094 -0.149 0.000 1.051 235 V CA 1.817 64.086 62.300 -0.051 0.000 1.036 235 V CB -0.390 31.434 31.823 0.002 0.000 0.654 235 V HN 0.338 nan 8.190 nan 0.000 0.451 236 E N -0.298 119.785 120.200 -0.196 0.000 2.058 236 E HA -0.270 4.080 4.350 -0.001 0.000 0.194 236 E C 2.364 178.524 176.600 -0.733 0.000 0.997 236 E CA 1.469 57.603 56.400 -0.443 0.000 0.801 236 E CB -0.192 29.293 29.700 -0.359 0.000 0.746 236 E HN 0.584 nan 8.360 nan 0.000 0.450 237 E N 0.543 120.522 120.200 -0.367 0.000 2.085 237 E HA -0.198 4.152 4.350 -0.001 0.000 0.194 237 E C 2.148 178.682 176.600 -0.112 0.000 0.994 237 E CA 1.564 57.871 56.400 -0.154 0.000 0.801 237 E CB 0.003 29.733 29.700 0.051 0.000 0.743 237 E HN 0.244 nan 8.360 nan 0.000 0.453 238 S N 0.158 115.793 115.700 -0.109 0.000 2.419 238 S HA -0.123 4.347 4.470 -0.001 0.000 0.233 238 S C 2.055 176.608 174.600 -0.078 0.000 1.016 238 S CA 0.875 59.038 58.200 -0.062 0.000 0.974 238 S CB -0.449 62.721 63.200 -0.050 0.000 0.786 238 S HN 0.269 nan 8.310 nan 0.000 0.492 239 I N -0.167 120.301 120.570 -0.171 0.000 2.333 239 I HA -0.071 4.099 4.170 -0.001 0.000 0.246 239 I C 2.240 178.343 176.117 -0.024 0.000 1.106 239 I CA 1.010 62.227 61.300 -0.138 0.000 1.411 239 I CB -0.424 37.446 38.000 -0.217 0.000 1.082 239 I HN 0.193 nan 8.210 nan 0.000 0.420 240 Y N 1.160 121.453 120.300 -0.011 0.000 2.165 240 Y HA -0.232 4.318 4.550 -0.000 0.000 0.286 240 Y C 2.667 178.569 175.900 0.004 0.000 1.155 240 Y CA 0.707 58.804 58.100 -0.005 0.000 1.164 240 Y CB -1.078 37.392 38.460 0.016 0.000 0.978 240 Y HN 0.222 nan 8.280 nan 0.000 0.513 241 Q N -1.100 118.794 119.800 0.158 0.000 2.364 241 Q HA -0.139 4.201 4.340 -0.001 0.000 0.209 241 Q C 2.356 178.390 176.000 0.057 0.000 0.977 241 Q CA 0.983 56.842 55.803 0.093 0.000 0.885 241 Q CB -0.882 27.893 28.738 0.063 0.000 0.941 241 Q HN 0.521 nan 8.270 nan 0.000 0.464 242 C N 0.056 119.383 119.300 0.044 0.000 2.432 242 C HA -0.039 4.421 4.460 -0.001 0.000 0.280 242 C C 1.629 176.635 174.990 0.027 0.000 1.353 242 C CA -0.712 58.320 59.018 0.023 0.000 1.766 242 C CB -0.689 27.054 27.740 0.005 0.000 1.924 242 C HN 0.412 nan 8.230 nan 0.000 0.509 243 C N 1.793 121.118 119.300 0.042 0.000 2.745 243 C HA 0.101 4.561 4.460 -0.001 0.000 0.387 243 C C 0.598 175.606 174.990 0.029 0.000 1.312 243 C CA -0.252 58.785 59.018 0.032 0.000 2.204 243 C CB -0.267 27.496 27.740 0.038 0.000 2.686 243 C HN 0.506 nan 8.230 nan 0.000 0.705 244 D N 1.425 121.837 120.400 0.020 0.000 2.336 244 D HA 0.473 5.113 4.640 -0.001 0.000 0.249 244 D C -0.677 175.639 176.300 0.027 0.000 1.213 244 D CA 0.293 54.306 54.000 0.021 0.000 0.870 244 D CB 0.117 40.926 40.800 0.014 0.000 1.076 244 D HN 0.398 nan 8.370 nan 0.000 0.483 245 L N 1.852 123.095 121.223 0.034 0.000 2.327 245 L HA 0.650 4.989 4.340 -0.001 0.000 0.258 245 L C 0.306 177.204 176.870 0.046 0.000 1.024 245 L CA -1.327 53.539 54.840 0.043 0.000 0.825 245 L CB 1.757 43.849 42.059 0.054 0.000 1.386 245 L HN 0.299 nan 8.230 nan 0.000 0.417 246 A N 1.090 123.943 122.820 0.056 0.000 2.407 246 A HA 0.446 4.766 4.320 -0.001 0.000 0.248 246 A C -1.884 175.740 177.584 0.067 0.000 1.082 246 A CA -1.021 51.051 52.037 0.059 0.000 0.785 246 A CB 0.018 19.059 19.000 0.068 0.000 1.020 246 A HN 0.622 nan 8.150 nan 0.000 0.489 247 P HA -0.203 nan 4.420 nan 0.000 0.216 247 P C 1.269 178.607 177.300 0.063 0.000 1.150 247 P CA 1.748 64.878 63.100 0.050 0.000 0.843 247 P CB 0.242 31.967 31.700 0.041 0.000 0.787 248 E N -0.769 119.490 120.200 0.099 0.000 2.150 248 E HA -0.162 4.188 4.350 -0.001 0.000 0.193 248 E C 1.917 178.615 176.600 0.164 0.000 0.985 248 E CA 1.022 57.511 56.400 0.148 0.000 0.814 248 E CB -0.403 29.450 29.700 0.255 0.000 0.752 248 E HN 0.092 nan 8.360 nan 0.000 0.466 249 A N 1.007 123.932 122.820 0.174 0.000 1.929 249 A HA -0.122 4.197 4.320 -0.001 0.000 0.216 249 A C 2.070 179.706 177.584 0.086 0.000 1.176 249 A CA 1.008 53.149 52.037 0.174 0.000 0.628 249 A CB -0.288 18.801 19.000 0.149 0.000 0.816 249 A HN 0.133 nan 8.150 nan 0.000 0.444 250 R N -1.021 119.518 120.500 0.063 0.000 2.081 250 R HA -0.169 4.171 4.340 -0.001 0.000 0.235 250 R C 2.474 178.780 176.300 0.011 0.000 1.131 250 R CA 1.636 57.763 56.100 0.045 0.000 0.960 250 R CB -0.281 30.043 30.300 0.039 0.000 0.856 250 R HN 0.606 nan 8.270 nan 0.000 0.436 251 Q N 0.848 120.637 119.800 -0.018 0.000 2.050 251 Q HA -0.096 4.244 4.340 -0.001 0.000 0.202 251 Q C 1.962 177.880 176.000 -0.137 0.000 0.980 251 Q CA 2.120 57.881 55.803 -0.070 0.000 0.840 251 Q CB -0.300 28.387 28.738 -0.084 0.000 0.898 251 Q HN 0.327 nan 8.270 nan 0.000 0.424 252 A N 0.121 122.815 122.820 -0.210 0.000 1.902 252 A HA -0.144 4.176 4.320 -0.001 0.000 0.217 252 A C 2.164 179.660 177.584 -0.146 0.000 1.181 252 A CA 1.535 53.369 52.037 -0.339 0.000 0.623 252 A CB -0.772 17.873 19.000 -0.591 0.000 0.818 252 A HN 0.488 nan 8.150 nan 0.000 0.443 253 I N -0.455 120.099 120.570 -0.027 0.000 2.226 253 I HA -0.267 3.903 4.170 -0.001 0.000 0.245 253 I C 2.564 178.722 176.117 0.068 0.000 1.100 253 I CA 1.861 63.202 61.300 0.070 0.000 1.374 253 I CB -0.237 37.836 38.000 0.121 0.000 1.057 253 I HN 0.416 nan 8.210 nan 0.000 0.413 254 K N 0.570 120.985 120.400 0.025 0.000 2.026 254 K HA -0.218 4.102 4.320 -0.001 0.000 0.208 254 K C 2.351 178.936 176.600 -0.025 0.000 1.048 254 K CA 1.930 58.228 56.287 0.017 0.000 0.929 254 K CB -0.136 32.364 32.500 -0.000 0.000 0.713 254 K HN 0.134 nan 8.250 nan 0.000 0.439 255 S N 0.764 116.417 115.700 -0.079 0.000 2.356 255 S HA -0.089 4.381 4.470 -0.001 0.000 0.223 255 S C 2.026 176.539 174.600 -0.145 0.000 1.032 255 S CA 1.098 59.229 58.200 -0.115 0.000 1.005 255 S CB -0.277 62.823 63.200 -0.168 0.000 0.867 255 S HN 0.372 nan 8.310 nan 0.000 0.449 256 L N 0.710 121.822 121.223 -0.185 0.000 2.042 256 L HA -0.115 4.224 4.340 -0.001 0.000 0.210 256 L C 2.788 179.415 176.870 -0.406 0.000 1.076 256 L CA 1.632 56.262 54.840 -0.350 0.000 0.749 256 L CB -1.047 40.785 42.059 -0.378 0.000 0.893 256 L HN 0.356 nan 8.230 nan 0.000 0.432 257 T N -1.012 113.482 114.554 -0.100 0.000 2.674 257 T HA -0.154 4.196 4.350 -0.001 0.000 0.265 257 T C 1.799 176.510 174.700 0.019 0.000 1.039 257 T CA 1.166 63.320 62.100 0.089 0.000 1.150 257 T CB -0.097 68.888 68.868 0.195 0.000 0.864 257 T HN 0.298 nan 8.240 nan 0.000 0.427 258 E N 1.156 121.349 120.200 -0.012 0.000 2.077 258 E HA -0.060 4.290 4.350 -0.001 0.000 0.193 258 E C 2.350 178.934 176.600 -0.027 0.000 0.989 258 E CA 1.030 57.424 56.400 -0.010 0.000 0.800 258 E CB -0.135 29.555 29.700 -0.017 0.000 0.746 258 E HN 0.486 nan 8.360 nan 0.000 0.452 259 R N -0.535 119.921 120.500 -0.073 0.000 2.223 259 R HA 0.103 4.443 4.340 -0.001 0.000 0.198 259 R C 1.873 178.111 176.300 -0.104 0.000 0.984 259 R CA 0.291 56.346 56.100 -0.076 0.000 1.018 259 R CB 0.250 30.495 30.300 -0.090 0.000 0.945 259 R HN 0.044 nan 8.270 nan 0.000 0.479 260 L N -2.100 119.016 121.223 -0.178 0.000 2.691 260 L HA 0.198 4.537 4.340 -0.001 0.000 0.185 260 L C 1.295 178.122 176.870 -0.071 0.000 1.081 260 L CA 0.765 55.488 54.840 -0.195 0.000 0.865 260 L CB -0.284 41.561 42.059 -0.358 0.000 1.370 260 L HN -0.142 nan 8.230 nan 0.000 0.488 261 Y N 0.548 120.866 120.300 0.030 0.000 2.224 261 Y HA -0.070 4.479 4.550 -0.001 0.000 0.289 261 Y C 2.550 178.461 175.900 0.018 0.000 1.146 261 Y CA 1.496 59.621 58.100 0.042 0.000 1.182 261 Y CB -0.932 37.576 38.460 0.080 0.000 0.983 261 Y HN 0.136 nan 8.280 nan 0.000 0.524 262 I N -1.013 119.647 120.570 0.150 0.000 2.493 262 I HA -0.033 4.136 4.170 -0.001 0.000 0.254 262 I C 1.225 177.358 176.117 0.027 0.000 1.160 262 I CA 1.227 62.575 61.300 0.080 0.000 1.445 262 I CB -0.422 37.617 38.000 0.065 0.000 1.086 262 I HN 0.309 nan 8.210 nan 0.000 0.433 263 G N -0.832 107.962 108.800 -0.010 0.000 2.324 263 G HA2 0.474 4.434 3.960 -0.001 0.000 0.293 263 G HA3 0.474 4.434 3.960 -0.001 0.000 0.293 263 G C -1.002 173.751 174.900 -0.244 0.000 1.297 263 G CA -0.165 44.863 45.100 -0.121 0.000 0.853 263 G HN 0.397 nan 8.290 nan 0.000 0.535 264 G N -0.923 107.464 108.800 -0.688 0.000 2.321 264 G HA2 0.693 4.653 3.960 -0.001 0.000 0.298 264 G HA3 0.693 4.653 3.960 -0.001 0.000 0.298 264 G C -3.455 170.819 174.900 -1.043 0.000 1.385 264 G CA 0.118 44.775 45.100 -0.739 0.000 0.856 264 G HN 0.788 nan 8.290 nan 0.000 0.584 265 P HA 0.432 nan 4.420 nan 0.000 0.272 265 P C -0.569 176.635 177.300 -0.160 0.000 1.223 265 P CA -0.128 62.848 63.100 -0.208 0.000 0.784 265 P CB 1.218 32.938 31.700 0.033 0.000 0.923 266 L N 2.248 123.425 121.223 -0.076 0.000 2.325 266 L HA 0.427 4.767 4.340 -0.001 0.000 0.281 266 L C 0.362 177.243 176.870 0.018 0.000 1.004 266 L CA -0.217 54.609 54.840 -0.024 0.000 0.823 266 L CB 1.676 43.756 42.059 0.035 0.000 1.236 266 L HN 0.279 nan 8.230 nan 0.000 0.415 267 T N 1.279 115.824 114.554 -0.016 0.000 2.807 267 T HA 0.339 4.689 4.350 -0.001 0.000 0.279 267 T C -0.144 174.547 174.700 -0.014 0.000 0.993 267 T CA -0.864 61.231 62.100 -0.009 0.000 0.970 267 T CB 1.477 70.325 68.868 -0.035 0.000 0.950 267 T HN 0.631 nan 8.240 nan 0.000 0.441 268 N N 0.769 119.477 118.700 0.013 0.000 2.322 268 N HA 0.113 4.853 4.740 -0.001 0.000 0.270 268 N C 1.414 176.924 175.510 -0.000 0.000 1.286 268 N CA -0.325 52.734 53.050 0.015 0.000 0.948 268 N CB 0.059 38.563 38.487 0.029 0.000 1.164 268 N HN 0.450 nan 8.380 nan 0.000 0.551 269 S N -1.645 114.064 115.700 0.014 0.000 2.500 269 S HA -0.079 4.391 4.470 -0.001 0.000 0.239 269 S C 1.012 175.615 174.600 0.005 0.000 0.989 269 S CA 0.630 58.840 58.200 0.016 0.000 0.951 269 S CB -0.427 62.794 63.200 0.035 0.000 0.759 269 S HN 0.604 nan 8.310 nan 0.000 0.523 270 K N 0.460 120.862 120.400 0.004 0.000 2.393 270 K HA 0.259 4.579 4.320 -0.001 0.000 0.193 270 K C 1.167 177.763 176.600 -0.007 0.000 1.026 270 K CA 0.407 56.694 56.287 0.000 0.000 1.064 270 K CB 0.078 32.581 32.500 0.006 0.000 0.833 270 K HN 0.534 nan 8.250 nan 0.000 0.521 271 G N 1.982 110.775 108.800 -0.011 0.000 2.132 271 G HA2 -0.260 3.700 3.960 -0.001 0.000 0.234 271 G HA3 -0.260 3.700 3.960 -0.001 0.000 0.234 271 G C -0.283 174.616 174.900 -0.003 0.000 0.989 271 G CA -0.150 44.940 45.100 -0.017 0.000 0.676 271 G HN 0.315 nan 8.290 nan 0.000 0.522 272 Q N -0.110 119.695 119.800 0.009 0.000 2.222 272 Q HA 0.341 4.680 4.340 -0.001 0.000 0.252 272 Q C 0.265 176.287 176.000 0.036 0.000 0.926 272 Q CA -0.642 55.174 55.803 0.022 0.000 0.899 272 Q CB 1.153 29.907 28.738 0.027 0.000 1.250 272 Q HN 0.380 nan 8.270 nan 0.000 0.441 273 N N 1.199 119.926 118.700 0.046 0.000 2.420 273 N HA 0.031 4.771 4.740 -0.001 0.000 0.262 273 N C -0.145 175.424 175.510 0.098 0.000 1.144 273 N CA -0.412 52.677 53.050 0.064 0.000 0.952 273 N CB 0.528 39.053 38.487 0.063 0.000 1.081 273 N HN 0.580 nan 8.380 nan 0.000 0.480 274 C N 2.872 122.251 119.300 0.131 0.000 2.551 274 C HA 0.406 4.865 4.460 -0.001 0.000 0.277 274 C C 1.250 176.428 174.990 0.313 0.000 1.349 274 C CA 0.449 59.603 59.018 0.227 0.000 1.750 274 C CB -0.887 27.016 27.740 0.271 0.000 2.058 274 C HN 0.955 nan 8.230 nan 0.000 0.518 275 G N -1.688 107.216 108.800 0.173 0.000 2.404 275 G HA2 0.343 4.303 3.960 -0.001 0.000 0.253 275 G HA3 0.343 4.303 3.960 -0.001 0.000 0.253 275 G C -2.243 172.673 174.900 0.026 0.000 1.253 275 G CA -0.373 44.766 45.100 0.066 0.000 0.917 275 G HN 0.003 nan 8.290 nan 0.000 0.480 276 Y N 0.729 120.895 120.300 -0.223 0.000 2.457 276 Y HA 0.746 5.295 4.550 -0.001 0.000 0.343 276 Y C 0.101 175.873 175.900 -0.214 0.000 0.994 276 Y CA -0.859 57.141 58.100 -0.166 0.000 1.031 276 Y CB 1.969 40.351 38.460 -0.129 0.000 1.246 276 Y HN 0.682 nan 8.280 nan 0.000 0.449 277 R N 4.894 125.119 120.500 -0.459 0.000 2.407 277 R HA 0.509 4.849 4.340 -0.001 0.000 0.303 277 R C -0.496 175.606 176.300 -0.329 0.000 0.981 277 R CA -0.527 55.333 56.100 -0.400 0.000 0.905 277 R CB 0.825 30.961 30.300 -0.273 0.000 1.099 277 R HN 0.773 nan 8.270 nan 0.000 0.459 278 R N 3.282 123.577 120.500 -0.341 0.000 2.629 278 R HA 0.180 4.519 4.340 -0.001 0.000 0.408 278 R C -0.319 175.852 176.300 -0.215 0.000 1.057 278 R CA -0.039 55.963 56.100 -0.162 0.000 1.119 278 R CB 0.167 30.421 30.300 -0.076 0.000 1.403 278 R HN 0.795 nan 8.270 nan 0.000 0.576 279 C N -1.523 117.589 119.300 -0.313 0.000 3.301 279 C HA 0.658 5.118 4.460 -0.001 0.000 0.367 279 C C 0.180 175.108 174.990 -0.103 0.000 1.980 279 C CA -1.419 57.466 59.018 -0.222 0.000 1.349 279 C CB 1.236 28.782 27.740 -0.323 0.000 2.412 279 C HN 0.281 nan 8.230 nan 0.000 0.451 280 R N 1.193 121.684 120.500 -0.015 0.000 2.522 280 R HA 0.484 4.824 4.340 -0.001 0.000 0.284 280 R C 0.030 176.394 176.300 0.106 0.000 1.032 280 R CA 0.949 57.094 56.100 0.076 0.000 1.049 280 R CB -0.139 30.247 30.300 0.144 0.000 0.956 280 R HN 1.141 nan 8.270 nan 0.000 0.422 281 A N 3.369 126.268 122.820 0.130 0.000 2.331 281 A HA 0.268 4.588 4.320 -0.001 0.000 0.283 281 A C 0.897 178.589 177.584 0.179 0.000 1.142 281 A CA 0.012 52.146 52.037 0.162 0.000 0.812 281 A CB 0.686 19.789 19.000 0.172 0.000 1.074 281 A HN 1.005 nan 8.150 nan 0.000 0.497 282 S N 1.758 117.575 115.700 0.196 0.000 2.496 282 S HA 0.115 4.584 4.470 -0.001 0.000 0.224 282 S C 1.039 175.740 174.600 0.169 0.000 0.996 282 S CA 0.669 58.977 58.200 0.180 0.000 0.927 282 S CB 0.063 63.373 63.200 0.184 0.000 0.774 282 S HN 1.271 nan 8.310 nan 0.000 0.524 283 G N 1.997 110.922 108.800 0.208 0.000 4.486 283 G HA2 0.535 4.494 3.960 -0.001 0.000 0.306 283 G HA3 0.535 4.494 3.960 -0.001 0.000 0.306 283 G C -0.217 174.820 174.900 0.227 0.000 1.331 283 G CA -0.185 45.042 45.100 0.213 0.000 1.113 283 G HN 0.574 nan 8.290 nan 0.000 0.594 284 V N -2.253 117.779 119.914 0.197 0.000 3.074 284 V HA 0.559 4.678 4.120 -0.001 0.000 0.314 284 V C 1.285 177.472 176.094 0.156 0.000 1.117 284 V CA -0.990 61.447 62.300 0.228 0.000 1.014 284 V CB 1.718 33.746 31.823 0.341 0.000 1.057 284 V HN 0.092 nan 8.190 nan 0.000 0.438 285 L N 2.266 123.594 121.223 0.176 0.000 2.131 285 L HA -0.049 4.291 4.340 -0.001 0.000 0.210 285 L C 2.290 179.183 176.870 0.039 0.000 1.092 285 L CA 3.034 57.955 54.840 0.135 0.000 0.759 285 L CB -0.556 41.610 42.059 0.177 0.000 0.903 285 L HN 1.095 nan 8.230 nan 0.000 0.435 286 T N -5.931 108.570 114.554 -0.088 0.000 3.129 286 T HA 0.010 4.360 4.350 -0.001 0.000 0.251 286 T C 1.547 176.194 174.700 -0.089 0.000 1.117 286 T CA 0.688 62.684 62.100 -0.174 0.000 1.034 286 T CB -0.670 67.930 68.868 -0.446 0.000 0.968 286 T HN 0.267 nan 8.240 nan 0.000 0.526 287 T N 1.996 116.533 114.554 -0.029 0.000 2.652 287 T HA -0.156 4.193 4.350 -0.001 0.000 0.267 287 T C 2.213 176.935 174.700 0.037 0.000 1.039 287 T CA 1.814 63.933 62.100 0.031 0.000 1.153 287 T CB -0.688 68.223 68.868 0.071 0.000 0.863 287 T HN 0.547 nan 8.240 nan 0.000 0.428 288 S N -0.211 115.490 115.700 0.002 0.000 2.355 288 S HA -0.147 4.322 4.470 -0.001 0.000 0.222 288 S C 2.443 177.067 174.600 0.041 0.000 1.031 288 S CA 1.427 59.621 58.200 -0.009 0.000 0.993 288 S CB -0.935 62.166 63.200 -0.165 0.000 0.859 288 S HN 0.667 nan 8.310 nan 0.000 0.453 289 C N 1.219 120.520 119.300 0.002 0.000 2.446 289 C HA 0.140 4.599 4.460 -0.001 0.000 0.277 289 C C 2.791 177.833 174.990 0.087 0.000 1.275 289 C CA 1.027 60.065 59.018 0.034 0.000 1.727 289 C CB -1.788 25.944 27.740 -0.014 0.000 2.010 289 C HN 0.710 nan 8.230 nan 0.000 0.486 290 G N 0.415 109.271 108.800 0.093 0.000 2.404 290 G HA2 -0.179 3.780 3.960 -0.001 0.000 0.215 290 G HA3 -0.179 3.780 3.960 -0.001 0.000 0.215 290 G C 1.531 176.513 174.900 0.137 0.000 1.174 290 G CA 0.923 46.085 45.100 0.103 0.000 0.780 290 G HN 0.566 nan 8.290 nan 0.000 0.537 291 N N 0.495 119.280 118.700 0.142 0.000 2.120 291 N HA -0.080 4.659 4.740 -0.001 0.000 0.188 291 N C 2.402 177.946 175.510 0.056 0.000 1.024 291 N CA 1.600 54.734 53.050 0.142 0.000 0.852 291 N CB -0.697 37.771 38.487 -0.031 0.000 1.003 291 N HN 0.237 nan 8.380 nan 0.000 0.424 292 T N 1.660 116.262 114.554 0.081 0.000 2.708 292 T HA -0.020 4.329 4.350 -0.001 0.000 0.266 292 T C 2.140 176.921 174.700 0.135 0.000 1.037 292 T CA 0.720 62.887 62.100 0.112 0.000 1.146 292 T CB -0.300 68.701 68.868 0.222 0.000 0.865 292 T HN 0.132 nan 8.240 nan 0.000 0.435 293 L N 0.635 121.919 121.223 0.101 0.000 2.046 293 L HA -0.116 4.224 4.340 -0.001 0.000 0.208 293 L C 2.947 179.910 176.870 0.155 0.000 1.077 293 L CA 1.234 56.124 54.840 0.083 0.000 0.747 293 L CB -0.987 41.076 42.059 0.006 0.000 0.896 293 L HN 0.283 nan 8.230 nan 0.000 0.432 294 T N -1.453 113.210 114.554 0.182 0.000 2.777 294 T HA -0.229 4.121 4.350 -0.001 0.000 0.266 294 T C 2.001 176.893 174.700 0.319 0.000 1.040 294 T CA 1.443 63.685 62.100 0.237 0.000 1.141 294 T CB -0.437 68.613 68.868 0.304 0.000 0.868 294 T HN 0.462 nan 8.240 nan 0.000 0.444 295 C N 0.622 120.151 119.300 0.383 0.000 2.446 295 C HA -0.045 4.414 4.460 -0.001 0.000 0.277 295 C C 2.399 177.540 174.990 0.252 0.000 1.275 295 C CA 0.350 59.586 59.018 0.364 0.000 1.727 295 C CB -1.393 26.453 27.740 0.177 0.000 2.010 295 C HN 0.659 nan 8.230 nan 0.000 0.486 296 Y N 1.005 121.367 120.300 0.103 0.000 2.224 296 Y HA -0.102 4.448 4.550 -0.000 0.000 0.289 296 Y C 2.129 178.051 175.900 0.037 0.000 1.146 296 Y CA 2.034 60.173 58.100 0.066 0.000 1.182 296 Y CB -0.486 37.997 38.460 0.038 0.000 0.983 296 Y HN 0.339 nan 8.280 nan 0.000 0.524 297 L N 1.010 122.293 121.223 0.099 0.000 1.994 297 L HA -0.158 4.182 4.340 -0.001 0.000 0.208 297 L C 2.118 178.905 176.870 -0.139 0.000 1.071 297 L CA 1.978 56.768 54.840 -0.082 0.000 0.745 297 L CB -0.874 41.122 42.059 -0.104 0.000 0.892 297 L HN 0.118 nan 8.230 nan 0.000 0.431 298 K N -0.382 120.006 120.400 -0.021 0.000 2.057 298 K HA -0.071 4.249 4.320 -0.001 0.000 0.207 298 K C 2.080 178.710 176.600 0.049 0.000 1.049 298 K CA 1.360 57.650 56.287 0.004 0.000 0.931 298 K CB -0.438 32.146 32.500 0.140 0.000 0.714 298 K HN 0.487 nan 8.250 nan 0.000 0.440 299 A N 1.042 123.884 122.820 0.037 0.000 1.930 299 A HA -0.122 4.198 4.320 -0.001 0.000 0.217 299 A C 2.203 179.832 177.584 0.074 0.000 1.175 299 A CA 1.661 53.753 52.037 0.092 0.000 0.627 299 A CB -0.436 18.685 19.000 0.201 0.000 0.815 299 A HN 0.156 nan 8.150 nan 0.000 0.443 300 S N -0.117 115.498 115.700 -0.142 0.000 2.368 300 S HA -0.020 4.450 4.470 -0.001 0.000 0.224 300 S C 2.292 176.845 174.600 -0.079 0.000 1.029 300 S CA 1.143 59.218 58.200 -0.209 0.000 0.988 300 S CB -0.399 62.506 63.200 -0.493 0.000 0.838 300 S HN 0.781 nan 8.310 nan 0.000 0.462 301 A N 1.431 124.226 122.820 -0.043 0.000 1.930 301 A HA 0.198 4.517 4.320 -0.001 0.000 0.217 301 A C 2.317 179.972 177.584 0.117 0.000 1.175 301 A CA 1.534 53.610 52.037 0.064 0.000 0.627 301 A CB -0.948 18.105 19.000 0.088 0.000 0.815 301 A HN 0.500 nan 8.150 nan 0.000 0.443 302 A N -1.114 121.789 122.820 0.139 0.000 1.969 302 A HA -0.138 4.181 4.320 -0.001 0.000 0.218 302 A C 2.240 179.893 177.584 0.115 0.000 1.169 302 A CA 1.557 53.559 52.037 -0.058 0.000 0.635 302 A CB -1.184 17.425 19.000 -0.652 0.000 0.810 302 A HN 0.577 nan 8.150 nan 0.000 0.445 303 C N -0.879 118.571 119.300 0.249 0.000 2.425 303 C HA -0.074 4.386 4.460 -0.001 0.000 0.277 303 C C 2.898 177.906 174.990 0.030 0.000 1.280 303 C CA 1.108 60.266 59.018 0.233 0.000 1.744 303 C CB -1.249 26.571 27.740 0.134 0.000 1.989 303 C HN 0.611 nan 8.230 nan 0.000 0.491 304 R N 0.958 121.384 120.500 -0.122 0.000 2.075 304 R HA -0.045 4.294 4.340 -0.001 0.000 0.232 304 R C 2.414 178.454 176.300 -0.434 0.000 1.126 304 R CA 1.499 57.394 56.100 -0.342 0.000 0.963 304 R CB -0.512 29.424 30.300 -0.607 0.000 0.858 304 R HN 0.515 nan 8.270 nan 0.000 0.435 305 A N 1.385 123.979 122.820 -0.377 0.000 1.933 305 A HA -0.069 4.251 4.320 -0.001 0.000 0.218 305 A C 2.251 179.823 177.584 -0.019 0.000 1.175 305 A CA 1.649 53.622 52.037 -0.107 0.000 0.628 305 A CB -0.482 18.524 19.000 0.012 0.000 0.814 305 A HN 0.382 nan 8.150 nan 0.000 0.444 306 A N -1.145 121.681 122.820 0.011 0.000 2.206 306 A HA 0.200 4.520 4.320 -0.001 0.000 0.211 306 A C 0.973 178.578 177.584 0.034 0.000 1.158 306 A CA 0.818 52.888 52.037 0.054 0.000 0.761 306 A CB -0.489 18.605 19.000 0.157 0.000 0.801 306 A HN 0.507 nan 8.150 nan 0.000 0.473 307 K N -1.269 119.134 120.400 0.006 0.000 3.150 307 K HA -0.165 4.154 4.320 -0.001 0.000 0.267 307 K C -0.971 175.636 176.600 0.011 0.000 1.028 307 K CA 0.182 56.471 56.287 0.003 0.000 0.753 307 K CB -1.844 30.664 32.500 0.014 0.000 1.288 307 K HN 0.320 nan 8.250 nan 0.000 0.473 308 L N 1.484 122.719 121.223 0.021 0.000 2.439 308 L HA 0.048 4.388 4.340 -0.001 0.000 0.269 308 L C 1.000 177.871 176.870 0.001 0.000 1.179 308 L CA 0.719 55.570 54.840 0.019 0.000 0.828 308 L CB 0.609 42.690 42.059 0.037 0.000 1.106 308 L HN 0.101 nan 8.230 nan 0.000 0.467 309 Q N 2.072 121.868 119.800 -0.007 0.000 2.256 309 Q HA 0.126 4.465 4.340 -0.001 0.000 0.254 309 Q C -0.208 175.774 176.000 -0.031 0.000 0.916 309 Q CA -0.425 55.367 55.803 -0.017 0.000 0.932 309 Q CB 0.873 29.599 28.738 -0.019 0.000 1.207 309 Q HN 0.532 nan 8.270 nan 0.000 0.426 310 D N 1.007 121.389 120.400 -0.030 0.000 2.735 310 D HA -0.193 4.447 4.640 -0.001 0.000 0.235 310 D C -1.000 175.271 176.300 -0.049 0.000 1.175 310 D CA 0.249 54.225 54.000 -0.039 0.000 0.683 310 D CB -0.870 39.897 40.800 -0.054 0.000 1.008 310 D HN 0.532 nan 8.370 nan 0.000 0.416 311 C N 1.030 120.309 119.300 -0.036 0.000 2.629 311 C HA 0.447 4.907 4.460 -0.001 0.000 0.410 311 C C 0.768 175.736 174.990 -0.037 0.000 1.339 311 C CA 0.220 59.212 59.018 -0.044 0.000 1.810 311 C CB -0.085 27.638 27.740 -0.028 0.000 2.549 311 C HN 0.463 nan 8.230 nan 0.000 0.589 312 T N 6.985 121.503 114.554 -0.060 0.000 2.841 312 T HA 0.519 4.868 4.350 -0.001 0.000 0.285 312 T C -0.450 174.236 174.700 -0.022 0.000 0.991 312 T CA -0.295 61.793 62.100 -0.020 0.000 0.966 312 T CB 1.114 69.941 68.868 -0.069 0.000 0.962 312 T HN 0.581 nan 8.240 nan 0.000 0.438 313 M N 2.917 122.560 119.600 0.072 0.000 2.664 313 M HA 0.683 5.163 4.480 -0.001 0.000 0.314 313 M C -1.436 174.979 176.300 0.191 0.000 1.200 313 M CA -1.188 54.153 55.300 0.067 0.000 0.916 313 M CB 2.250 34.887 32.600 0.062 0.000 1.717 313 M HN 0.337 nan 8.290 nan 0.000 0.470 314 L N 2.327 123.627 121.223 0.128 0.000 2.446 314 L HA 0.631 4.971 4.340 -0.001 0.000 0.268 314 L C -1.614 175.276 176.870 0.033 0.000 0.975 314 L CA -0.435 54.490 54.840 0.142 0.000 0.848 314 L CB 1.748 43.913 42.059 0.176 0.000 1.225 314 L HN 0.483 nan 8.230 nan 0.000 0.410 315 V N 3.999 123.919 119.914 0.010 0.000 2.495 315 V HA 0.604 4.723 4.120 -0.001 0.000 0.298 315 V C -0.582 175.359 176.094 -0.254 0.000 1.031 315 V CA -0.615 61.661 62.300 -0.040 0.000 0.871 315 V CB 1.908 33.795 31.823 0.107 0.000 0.988 315 V HN 0.781 nan 8.190 nan 0.000 0.432 316 N N 3.396 121.887 118.700 -0.348 0.000 2.664 316 N HA 0.603 5.343 4.740 -0.001 0.000 0.257 316 N C 0.567 175.912 175.510 -0.274 0.000 1.108 316 N CA 0.601 53.206 53.050 -0.742 0.000 0.822 316 N CB 1.688 39.645 38.487 -0.882 0.000 1.199 316 N HN 1.102 nan 8.380 nan 0.000 0.529 317 G N 2.289 111.083 108.800 -0.009 0.000 2.596 317 G HA2 -0.395 3.565 3.960 -0.001 0.000 0.304 317 G HA3 -0.395 3.565 3.960 -0.001 0.000 0.304 317 G C 0.531 175.293 174.900 -0.230 0.000 1.189 317 G CA 0.725 45.839 45.100 0.023 0.000 0.986 317 G HN 0.608 nan 8.290 nan 0.000 0.548 318 D N 1.247 121.446 120.400 -0.334 0.000 2.339 318 D HA 0.100 4.740 4.640 -0.001 0.000 0.217 318 D C 0.288 176.469 176.300 -0.198 0.000 1.050 318 D CA 0.731 54.368 54.000 -0.605 0.000 0.856 318 D CB -0.045 40.395 40.800 -0.599 0.000 0.922 318 D HN 0.413 nan 8.370 nan 0.000 0.518 319 D N 0.756 121.090 120.400 -0.110 0.000 2.225 319 D HA 0.333 4.973 4.640 -0.001 0.000 0.248 319 D C -0.914 175.375 176.300 -0.019 0.000 1.096 319 D CA -0.516 53.463 54.000 -0.035 0.000 0.863 319 D CB 1.460 42.229 40.800 -0.050 0.000 1.156 319 D HN 0.078 nan 8.370 nan 0.000 0.450 320 L N 4.109 125.366 121.223 0.055 0.000 2.431 320 L HA 0.487 4.827 4.340 -0.001 0.000 0.266 320 L C -1.680 175.199 176.870 0.016 0.000 0.978 320 L CA -0.621 54.257 54.840 0.064 0.000 0.822 320 L CB 2.034 44.197 42.059 0.174 0.000 1.310 320 L HN 0.140 nan 8.230 nan 0.000 0.409 321 V N 3.245 123.121 119.914 -0.063 0.000 2.638 321 V HA 0.782 4.901 4.120 -0.001 0.000 0.306 321 V C -0.674 175.249 176.094 -0.284 0.000 1.052 321 V CA -0.770 61.430 62.300 -0.166 0.000 0.885 321 V CB 1.561 33.321 31.823 -0.105 0.000 0.999 321 V HN 0.538 nan 8.190 nan 0.000 0.424 322 V N 5.389 124.938 119.914 -0.608 0.000 2.540 322 V HA 0.587 4.707 4.120 -0.001 0.000 0.302 322 V C -0.445 175.327 176.094 -0.536 0.000 1.035 322 V CA -0.372 61.520 62.300 -0.680 0.000 0.873 322 V CB 1.997 33.107 31.823 -1.189 0.000 0.992 322 V HN 0.800 nan 8.190 nan 0.000 0.428 323 I N 5.020 125.425 120.570 -0.275 0.000 2.466 323 I HA 0.674 4.844 4.170 -0.001 0.000 0.289 323 I C -0.100 175.924 176.117 -0.156 0.000 1.026 323 I CA -0.301 60.907 61.300 -0.154 0.000 1.078 323 I CB 1.696 39.650 38.000 -0.077 0.000 1.249 323 I HN 0.899 nan 8.210 nan 0.000 0.429 324 C N 2.577 121.790 119.300 -0.146 0.000 3.321 324 C HA 0.572 5.032 4.460 -0.001 0.000 0.363 324 C C -0.682 174.219 174.990 -0.148 0.000 1.705 324 C CA -0.883 58.063 59.018 -0.120 0.000 1.298 324 C CB 1.857 29.564 27.740 -0.055 0.000 2.086 324 C HN 0.606 nan 8.230 nan 0.000 0.438 325 E N 1.909 122.046 120.200 -0.105 0.000 2.152 325 E HA 0.314 4.664 4.350 -0.001 0.000 0.285 325 E C -0.037 176.530 176.600 -0.055 0.000 1.043 325 E CA 0.464 56.804 56.400 -0.101 0.000 0.839 325 E CB 1.691 31.345 29.700 -0.076 0.000 1.069 325 E HN 0.696 nan 8.360 nan 0.000 0.399 326 S N 1.947 117.622 115.700 -0.041 0.000 2.564 326 S HA 0.288 4.758 4.470 -0.001 0.000 0.278 326 S C 0.410 175.020 174.600 0.018 0.000 1.333 326 S CA 0.053 58.276 58.200 0.039 0.000 1.048 326 S CB 0.594 63.884 63.200 0.149 0.000 0.900 326 S HN 0.526 nan 8.310 nan 0.000 0.505 327 A N 3.204 126.042 122.820 0.030 0.000 2.606 327 A HA 0.676 4.996 4.320 -0.001 0.000 0.290 327 A C 0.731 178.320 177.584 0.009 0.000 1.174 327 A CA 0.154 52.196 52.037 0.009 0.000 0.958 327 A CB -0.699 18.304 19.000 0.006 0.000 1.194 327 A HN 1.876 nan 8.150 nan 0.000 0.526 328 G N -1.783 107.027 108.800 0.016 0.000 2.539 328 G HA2 0.158 4.117 3.960 -0.001 0.000 0.686 328 G HA3 0.158 4.117 3.960 -0.001 0.000 0.686 328 G C 0.585 175.500 174.900 0.025 0.000 1.258 328 G CA -0.042 45.053 45.100 -0.008 0.000 0.846 328 G HN 1.150 nan 8.290 nan 0.000 0.647 329 V N 0.655 120.558 119.914 -0.018 0.000 2.255 329 V HA -0.166 3.954 4.120 -0.001 0.000 0.247 329 V C 2.589 178.717 176.094 0.057 0.000 1.051 329 V CA 3.112 65.432 62.300 0.034 0.000 1.018 329 V CB -0.350 31.454 31.823 -0.032 0.000 0.641 329 V HN 0.761 nan 8.190 nan 0.000 0.445 330 Q N -0.486 119.327 119.800 0.021 0.000 2.079 330 Q HA -0.145 4.195 4.340 -0.001 0.000 0.200 330 Q C 2.276 178.286 176.000 0.017 0.000 0.974 330 Q CA 1.728 57.542 55.803 0.017 0.000 0.840 330 Q CB -0.461 28.280 28.738 0.005 0.000 0.898 330 Q HN 0.694 nan 8.270 nan 0.000 0.430 331 E N 0.988 121.199 120.200 0.017 0.000 2.051 331 E HA -0.150 4.200 4.350 -0.001 0.000 0.192 331 E C 1.649 178.259 176.600 0.017 0.000 0.991 331 E CA 0.958 57.366 56.400 0.014 0.000 0.799 331 E CB -0.191 29.517 29.700 0.012 0.000 0.748 331 E HN 0.362 nan 8.360 nan 0.000 0.449 332 D N 0.760 121.184 120.400 0.040 0.000 2.144 332 D HA -0.107 4.532 4.640 -0.001 0.000 0.199 332 D C 1.831 178.123 176.300 -0.014 0.000 0.984 332 D CA 1.445 55.463 54.000 0.031 0.000 0.834 332 D CB -0.278 40.587 40.800 0.109 0.000 0.955 332 D HN 0.165 nan 8.370 nan 0.000 0.465 333 A N 0.915 123.741 122.820 0.010 0.000 1.972 333 A HA -0.037 4.282 4.320 -0.001 0.000 0.219 333 A C 2.284 179.852 177.584 -0.028 0.000 1.169 333 A CA 2.073 54.102 52.037 -0.013 0.000 0.635 333 A CB -0.504 18.503 19.000 0.011 0.000 0.810 333 A HN 0.247 nan 8.150 nan 0.000 0.446 334 A N -0.777 122.035 122.820 -0.014 0.000 1.897 334 A HA 0.026 4.346 4.320 -0.001 0.000 0.215 334 A C 2.405 179.978 177.584 -0.018 0.000 1.181 334 A CA 1.746 53.776 52.037 -0.013 0.000 0.620 334 A CB -0.728 18.270 19.000 -0.004 0.000 0.821 334 A HN 0.430 nan 8.150 nan 0.000 0.443 335 S N -0.007 115.678 115.700 -0.024 0.000 2.382 335 S HA -0.068 4.402 4.470 -0.001 0.000 0.228 335 S C 1.820 176.391 174.600 -0.048 0.000 1.027 335 S CA 1.197 59.384 58.200 -0.022 0.000 0.991 335 S CB -0.387 62.801 63.200 -0.021 0.000 0.823 335 S HN 0.491 nan 8.310 nan 0.000 0.469 336 L N 0.982 122.123 121.223 -0.136 0.000 2.056 336 L HA -0.083 4.257 4.340 -0.001 0.000 0.207 336 L C 2.711 179.552 176.870 -0.048 0.000 1.078 336 L CA 1.221 55.922 54.840 -0.231 0.000 0.749 336 L CB -0.334 41.511 42.059 -0.357 0.000 0.901 336 L HN 0.269 nan 8.230 nan 0.000 0.433 337 R N -0.405 120.077 120.500 -0.029 0.000 2.096 337 R HA -0.141 4.199 4.340 -0.001 0.000 0.235 337 R C 2.292 178.599 176.300 0.011 0.000 1.127 337 R CA 1.288 57.388 56.100 0.001 0.000 0.968 337 R CB -0.380 29.915 30.300 -0.008 0.000 0.861 337 R HN 0.342 nan 8.270 nan 0.000 0.440 338 A N 0.583 123.410 122.820 0.013 0.000 1.969 338 A HA -0.155 4.164 4.320 -0.001 0.000 0.218 338 A C 1.888 179.474 177.584 0.003 0.000 1.169 338 A CA 0.802 52.841 52.037 0.003 0.000 0.635 338 A CB -0.481 18.525 19.000 0.011 0.000 0.810 338 A HN 0.335 nan 8.150 nan 0.000 0.445 339 F N 1.277 121.167 119.950 -0.099 0.000 2.084 339 F HA -0.134 4.392 4.527 -0.001 0.000 0.296 339 F C 2.469 178.194 175.800 -0.124 0.000 1.111 339 F CA 2.306 60.241 58.000 -0.109 0.000 1.224 339 F CB -0.634 38.295 39.000 -0.117 0.000 0.991 339 F HN 0.190 nan 8.300 nan 0.000 0.471 340 T N 0.201 114.791 114.554 0.059 0.000 2.788 340 T HA -0.196 4.154 4.350 -0.001 0.000 0.268 340 T C 1.713 176.373 174.700 -0.067 0.000 1.044 340 T CA 1.818 63.962 62.100 0.074 0.000 1.139 340 T CB -0.344 68.651 68.868 0.212 0.000 0.867 340 T HN 0.408 nan 8.240 nan 0.000 0.454 341 E N 0.998 121.142 120.200 -0.093 0.000 2.072 341 E HA -0.024 4.326 4.350 -0.001 0.000 0.191 341 E C 2.601 179.050 176.600 -0.251 0.000 0.985 341 E CA 0.926 57.249 56.400 -0.127 0.000 0.801 341 E CB -0.209 29.435 29.700 -0.094 0.000 0.750 341 E HN 0.479 nan 8.360 nan 0.000 0.452 342 A N 1.445 124.056 122.820 -0.348 0.000 1.877 342 A HA -0.187 4.132 4.320 -0.001 0.000 0.216 342 A C 2.181 179.287 177.584 -0.798 0.000 1.186 342 A CA 1.275 52.952 52.037 -0.601 0.000 0.620 342 A CB -0.338 18.348 19.000 -0.523 0.000 0.822 342 A HN 0.111 nan 8.150 nan 0.000 0.443 343 M N -0.124 119.125 119.600 -0.585 0.000 2.108 343 M HA -0.125 4.355 4.480 -0.001 0.000 0.261 343 M C 2.171 178.372 176.300 -0.166 0.000 1.066 343 M CA 2.092 57.173 55.300 -0.365 0.000 1.107 343 M CB -1.986 30.328 32.600 -0.477 0.000 1.356 343 M HN 0.472 nan 8.290 nan 0.000 0.406 344 T N 0.051 114.514 114.554 -0.151 0.000 2.746 344 T HA -0.120 4.230 4.350 -0.001 0.000 0.267 344 T C 1.961 176.595 174.700 -0.110 0.000 1.039 344 T CA 1.114 63.169 62.100 -0.076 0.000 1.142 344 T CB -0.216 68.615 68.868 -0.062 0.000 0.866 344 T HN 0.391 nan 8.240 nan 0.000 0.444 345 R N -0.013 120.351 120.500 -0.226 0.000 2.152 345 R HA -0.041 4.298 4.340 -0.001 0.000 0.232 345 R C 1.558 177.800 176.300 -0.097 0.000 1.117 345 R CA 0.999 56.974 56.100 -0.208 0.000 0.981 345 R CB -0.233 29.875 30.300 -0.320 0.000 0.870 345 R HN 0.438 nan 8.270 nan 0.000 0.451 346 Y N -0.083 120.151 120.300 -0.110 0.000 2.490 346 Y HA 0.114 4.664 4.550 -0.000 0.000 0.281 346 Y C 0.904 176.743 175.900 -0.102 0.000 1.174 346 Y CA -0.491 57.531 58.100 -0.129 0.000 1.295 346 Y CB -0.074 38.333 38.460 -0.088 0.000 1.062 346 Y HN -0.057 nan 8.280 nan 0.000 0.522 347 S N -0.224 115.509 115.700 0.056 0.000 3.929 347 S HA -0.107 4.363 4.470 -0.001 0.000 0.351 347 S C -0.039 174.575 174.600 0.024 0.000 1.021 347 S CA 0.471 58.689 58.200 0.030 0.000 1.049 347 S CB -1.445 61.759 63.200 0.006 0.000 0.872 347 S HN 0.674 nan 8.310 nan 0.000 0.479 348 A N 1.692 124.544 122.820 0.054 0.000 3.410 348 A HA 0.577 4.896 4.320 -0.001 0.000 0.276 348 A C -2.318 175.381 177.584 0.191 0.000 0.995 348 A CA -0.775 51.322 52.037 0.100 0.000 0.934 348 A CB 0.879 19.967 19.000 0.147 0.000 1.191 348 A HN 0.426 nan 8.150 nan 0.000 0.511 349 P HA 0.272 nan 4.420 nan 0.000 0.272 349 P C -2.945 174.402 177.300 0.078 0.000 1.223 349 P CA -0.994 62.159 63.100 0.088 0.000 0.784 349 P CB 0.733 32.422 31.700 -0.019 0.000 0.923 350 P HA 0.110 nan 4.420 nan 0.000 0.284 350 P C 0.860 178.085 177.300 -0.125 0.000 1.253 350 P CA -0.037 62.936 63.100 -0.210 0.000 0.800 350 P CB 1.035 32.534 31.700 -0.335 0.000 0.961 351 G N 2.424 111.150 108.800 -0.123 0.000 2.395 351 G HA2 -0.036 3.923 3.960 -0.001 0.000 0.214 351 G HA3 -0.036 3.923 3.960 -0.001 0.000 0.214 351 G C 0.025 174.880 174.900 -0.075 0.000 1.177 351 G CA 0.414 45.470 45.100 -0.074 0.000 0.794 351 G HN 0.488 nan 8.290 nan 0.000 0.532 352 D N 0.671 121.016 120.400 -0.092 0.000 2.502 352 D HA 0.364 5.004 4.640 -0.001 0.000 0.249 352 D C -2.711 173.541 176.300 -0.081 0.000 1.092 352 D CA -1.244 52.715 54.000 -0.069 0.000 0.839 352 D CB 1.993 42.763 40.800 -0.050 0.000 1.264 352 D HN -0.063 nan 8.370 nan 0.000 0.511 353 P HA 0.055 nan 4.420 nan 0.000 0.260 353 P C -2.244 175.047 177.300 -0.015 0.000 1.172 353 P CA -0.586 62.498 63.100 -0.027 0.000 0.760 353 P CB -0.181 31.512 31.700 -0.013 0.000 0.773 354 P HA 0.066 nan 4.420 nan 0.000 0.271 354 P C -0.854 176.443 177.300 -0.005 0.000 1.216 354 P CA 0.114 63.245 63.100 0.052 0.000 0.776 354 P CB 0.935 32.737 31.700 0.171 0.000 0.881 355 Q N 3.050 122.860 119.800 0.017 0.000 2.353 355 Q HA 0.421 4.761 4.340 -0.001 0.000 0.268 355 Q C -2.323 173.675 176.000 -0.004 0.000 1.045 355 Q CA -2.198 53.602 55.803 -0.006 0.000 0.811 355 Q CB 2.352 31.099 28.738 0.014 0.000 1.305 355 Q HN 0.409 nan 8.270 nan 0.000 0.447 356 P HA 0.097 nan 4.420 nan 0.000 0.276 356 P C -0.847 176.332 177.300 -0.201 0.000 1.235 356 P CA -0.072 62.955 63.100 -0.123 0.000 0.772 356 P CB 1.145 32.755 31.700 -0.150 0.000 0.871 357 E N 2.359 122.414 120.200 -0.242 0.000 2.212 357 E HA 0.232 4.582 4.350 -0.001 0.000 0.268 357 E C -0.482 175.942 176.600 -0.293 0.000 0.902 357 E CA -0.548 55.743 56.400 -0.182 0.000 0.779 357 E CB 1.379 31.062 29.700 -0.029 0.000 1.172 357 E HN 0.437 nan 8.360 nan 0.000 0.409 358 Y N -0.168 120.279 120.300 0.245 0.000 2.531 358 Y HA 0.172 4.722 4.550 -0.001 0.000 0.249 358 Y C 0.223 176.375 175.900 0.419 0.000 1.168 358 Y CA -0.408 57.904 58.100 0.353 0.000 1.226 358 Y CB 0.960 39.528 38.460 0.180 0.000 1.177 358 Y HN 0.236 nan 8.280 nan 0.000 0.527 359 D N 0.296 120.836 120.400 0.235 0.000 2.505 359 D HA 0.122 4.761 4.640 -0.001 0.000 0.250 359 D C 0.695 176.750 176.300 -0.409 0.000 1.164 359 D CA -0.353 53.632 54.000 -0.024 0.000 0.870 359 D CB 1.507 42.316 40.800 0.014 0.000 1.160 359 D HN 0.085 nan 8.370 nan 0.000 0.549 360 L N 4.373 124.996 121.223 -1.001 0.000 2.013 360 L HA -0.131 4.209 4.340 -0.001 0.000 0.212 360 L C 1.626 178.179 176.870 -0.528 0.000 1.073 360 L CA 2.044 56.200 54.840 -1.138 0.000 0.753 360 L CB -0.454 40.743 42.059 -1.437 0.000 0.890 360 L HN 0.545 nan 8.230 nan 0.000 0.432 361 E N -0.711 119.269 120.200 -0.367 0.000 2.331 361 E HA -0.208 4.142 4.350 -0.001 0.000 0.199 361 E C 1.969 178.476 176.600 -0.155 0.000 1.008 361 E CA 1.082 57.354 56.400 -0.213 0.000 0.843 361 E CB -0.241 29.379 29.700 -0.133 0.000 0.761 361 E HN 0.559 nan 8.360 nan 0.000 0.507 362 L N 0.683 121.814 121.223 -0.154 0.000 2.592 362 L HA 0.174 4.514 4.340 -0.001 0.000 0.227 362 L C 0.631 177.449 176.870 -0.086 0.000 1.127 362 L CA -0.152 54.634 54.840 -0.090 0.000 0.884 362 L CB 0.223 42.252 42.059 -0.051 0.000 1.065 362 L HN 0.033 nan 8.230 nan 0.000 0.457 363 I N 0.290 120.782 120.570 -0.130 0.000 2.312 363 I HA 0.090 4.260 4.170 -0.001 0.000 0.291 363 I C 0.020 176.091 176.117 -0.076 0.000 1.031 363 I CA 0.163 61.406 61.300 -0.094 0.000 1.293 363 I CB 1.249 39.175 38.000 -0.124 0.000 1.403 363 I HN -0.090 nan 8.210 nan 0.000 0.484 364 T N 5.234 119.764 114.554 -0.040 0.000 2.743 364 T HA 0.404 4.753 4.350 -0.001 0.000 0.292 364 T C -0.158 174.535 174.700 -0.011 0.000 0.972 364 T CA -0.564 61.522 62.100 -0.024 0.000 0.967 364 T CB 0.769 69.629 68.868 -0.015 0.000 0.926 364 T HN 0.719 nan 8.240 nan 0.000 0.459 365 S N 1.174 116.868 115.700 -0.010 0.000 2.547 365 S HA 0.460 4.929 4.470 -0.001 0.000 0.281 365 S C 0.206 174.811 174.600 0.009 0.000 1.118 365 S CA -0.756 57.440 58.200 -0.007 0.000 0.947 365 S CB 0.874 64.056 63.200 -0.030 0.000 1.053 365 S HN 0.859 nan 8.310 nan 0.000 0.482 366 C N 2.154 121.462 119.300 0.013 0.000 4.432 366 C HA -0.181 4.279 4.460 -0.001 0.000 0.294 366 C C 1.294 176.340 174.990 0.092 0.000 1.398 366 C CA 0.787 59.829 59.018 0.040 0.000 1.988 366 C CB -3.096 24.656 27.740 0.020 0.000 1.251 366 C HN 1.758 nan 8.230 nan 0.000 0.791 367 S N -1.306 114.435 115.700 0.068 0.000 3.358 367 S HA -0.200 4.269 4.470 -0.001 0.000 0.309 367 S C 0.254 174.901 174.600 0.078 0.000 1.247 367 S CA 1.299 59.540 58.200 0.067 0.000 0.961 367 S CB -0.925 62.329 63.200 0.090 0.000 1.074 367 S HN 1.056 nan 8.310 nan 0.000 0.625 368 S N 1.541 117.294 115.700 0.090 0.000 2.704 368 S HA 0.827 5.297 4.470 -0.001 0.000 0.296 368 S C -0.456 174.170 174.600 0.042 0.000 1.138 368 S CA -0.855 57.414 58.200 0.115 0.000 0.875 368 S CB 1.916 65.261 63.200 0.242 0.000 1.151 368 S HN 0.606 nan 8.310 nan 0.000 0.500 369 N N -1.024 117.692 118.700 0.026 0.000 2.710 369 N HA 0.339 5.079 4.740 -0.001 0.000 0.257 369 N C -1.816 173.638 175.510 -0.094 0.000 1.327 369 N CA -0.561 52.459 53.050 -0.049 0.000 0.861 369 N CB 1.044 39.490 38.487 -0.068 0.000 1.532 369 N HN 0.349 nan 8.380 nan 0.000 0.499 370 V N 0.625 120.449 119.914 -0.150 0.000 2.530 370 V HA 0.420 4.540 4.120 -0.001 0.000 0.282 370 V C 0.430 176.391 176.094 -0.223 0.000 1.048 370 V CA 0.088 62.272 62.300 -0.193 0.000 0.997 370 V CB 0.851 32.546 31.823 -0.214 0.000 0.987 370 V HN 0.819 nan 8.190 nan 0.000 0.477 371 S N 3.168 118.649 115.700 -0.365 0.000 2.704 371 S HA 0.825 5.294 4.470 -0.001 0.000 0.296 371 S C -1.233 173.215 174.600 -0.253 0.000 1.138 371 S CA -0.485 57.514 58.200 -0.336 0.000 0.875 371 S CB 2.090 65.029 63.200 -0.435 0.000 1.151 371 S HN 0.629 nan 8.310 nan 0.000 0.500 372 V N 0.966 120.845 119.914 -0.060 0.000 2.876 372 V HA 0.981 5.100 4.120 -0.001 0.000 0.312 372 V C -0.313 175.752 176.094 -0.048 0.000 1.085 372 V CA 0.286 62.523 62.300 -0.105 0.000 0.945 372 V CB 1.321 32.940 31.823 -0.341 0.000 1.017 372 V HN 1.277 nan 8.190 nan 0.000 0.428 373 A N 4.578 127.225 122.820 -0.288 0.000 2.701 373 A HA 0.902 5.222 4.320 -0.001 0.000 0.290 373 A C -1.260 175.785 177.584 -0.899 0.000 1.267 373 A CA -0.560 51.153 52.037 -0.541 0.000 0.709 373 A CB 1.694 20.232 19.000 -0.770 0.000 1.352 373 A HN 0.939 nan 8.150 nan 0.000 0.519 374 H N 0.078 118.794 119.070 -0.589 0.000 2.851 374 H HA 0.413 4.969 4.556 -0.001 0.000 0.372 374 H C -1.268 173.695 175.328 -0.608 0.000 1.158 374 H CA -0.357 55.353 56.048 -0.564 0.000 1.159 374 H CB 1.851 31.251 29.762 -0.604 0.000 1.757 374 H HN 0.895 nan 8.280 nan 0.000 0.546 375 D N 0.554 120.840 120.400 -0.191 0.000 2.507 375 D HA 0.296 4.935 4.640 -0.001 0.000 0.280 375 D C 1.391 177.777 176.300 0.143 0.000 1.219 375 D CA -0.451 53.516 54.000 -0.055 0.000 1.085 375 D CB 0.313 41.094 40.800 -0.031 0.000 1.134 375 D HN 0.432 nan 8.370 nan 0.000 0.583 376 A N -0.442 122.465 122.820 0.146 0.000 1.940 376 A HA -0.145 4.175 4.320 -0.001 0.000 0.219 376 A C 2.035 179.693 177.584 0.123 0.000 1.176 376 A CA 1.799 53.925 52.037 0.149 0.000 0.631 376 A CB -1.089 17.963 19.000 0.087 0.000 0.814 376 A HN 0.449 nan 8.150 nan 0.000 0.446 377 S N -1.517 114.238 115.700 0.091 0.000 2.555 377 S HA 0.292 4.762 4.470 -0.001 0.000 0.230 377 S C 1.523 176.173 174.600 0.083 0.000 0.978 377 S CA 0.950 59.190 58.200 0.067 0.000 0.934 377 S CB -0.187 63.040 63.200 0.044 0.000 0.766 377 S HN 1.673 nan 8.310 nan 0.000 0.533 378 G N 1.739 110.622 108.800 0.139 0.000 2.159 378 G HA2 -0.305 3.654 3.960 -0.001 0.000 0.256 378 G HA3 -0.305 3.654 3.960 -0.001 0.000 0.256 378 G C 0.053 175.035 174.900 0.136 0.000 0.977 378 G CA 0.374 45.559 45.100 0.143 0.000 0.652 378 G HN 0.531 nan 8.290 nan 0.000 0.531 379 K N 0.712 121.161 120.400 0.083 0.000 2.218 379 K HA 0.455 4.774 4.320 -0.001 0.000 0.276 379 K C 0.852 177.426 176.600 -0.042 0.000 1.022 379 K CA -0.793 55.519 56.287 0.042 0.000 0.946 379 K CB 0.359 32.860 32.500 0.003 0.000 1.000 379 K HN 0.286 nan 8.250 nan 0.000 0.468 380 R N 1.640 122.071 120.500 -0.115 0.000 2.570 380 R HA 0.094 4.433 4.340 -0.001 0.000 0.277 380 R C -0.552 175.501 176.300 -0.412 0.000 1.039 380 R CA -0.131 55.710 56.100 -0.432 0.000 1.065 380 R CB 0.931 31.004 30.300 -0.379 0.000 0.964 380 R HN 0.336 nan 8.270 nan 0.000 0.428 381 V N 5.147 124.750 119.914 -0.518 0.000 2.623 381 V HA 0.345 4.465 4.120 -0.001 0.000 0.304 381 V C -1.493 174.414 176.094 -0.311 0.000 1.054 381 V CA -0.759 61.343 62.300 -0.330 0.000 0.882 381 V CB 1.293 32.989 31.823 -0.212 0.000 1.002 381 V HN 0.602 nan 8.190 nan 0.000 0.424 382 Y N 7.431 127.720 120.300 -0.017 0.000 2.299 382 Y HA 0.703 5.253 4.550 -0.001 0.000 0.326 382 Y C 0.071 176.036 175.900 0.108 0.000 1.164 382 Y CA 0.106 58.207 58.100 0.001 0.000 1.234 382 Y CB 1.335 39.755 38.460 -0.066 0.000 1.219 382 Y HN 0.812 nan 8.280 nan 0.000 0.497 383 Y N 0.417 120.776 120.300 0.098 0.000 2.638 383 Y HA 0.666 5.216 4.550 -0.001 0.000 0.335 383 Y C -2.209 173.749 175.900 0.096 0.000 1.155 383 Y CA -2.022 56.118 58.100 0.067 0.000 1.046 383 Y CB 0.679 39.147 38.460 0.013 0.000 1.303 383 Y HN 0.460 nan 8.280 nan 0.000 0.460 384 L N 2.135 123.429 121.223 0.118 0.000 2.289 384 L HA 0.762 5.102 4.340 -0.001 0.000 0.285 384 L C -0.016 177.041 176.870 0.311 0.000 1.049 384 L CA 0.425 55.325 54.840 0.100 0.000 0.804 384 L CB 1.399 43.546 42.059 0.147 0.000 1.195 384 L HN 1.036 nan 8.230 nan 0.000 0.428 385 T N 4.349 119.033 114.554 0.217 0.000 2.716 385 T HA 0.880 5.230 4.350 -0.001 0.000 0.286 385 T C -1.204 173.607 174.700 0.187 0.000 1.052 385 T CA -0.582 61.718 62.100 0.334 0.000 1.024 385 T CB 1.131 70.162 68.868 0.273 0.000 1.349 385 T HN 0.875 nan 8.240 nan 0.000 0.525 386 R N 0.480 121.019 120.500 0.064 0.000 2.728 386 R HA 0.436 4.776 4.340 -0.001 0.000 0.274 386 R C -1.634 174.490 176.300 -0.293 0.000 1.032 386 R CA -0.987 55.040 56.100 -0.121 0.000 0.866 386 R CB 0.347 30.513 30.300 -0.223 0.000 1.263 386 R HN 0.527 nan 8.270 nan 0.000 0.475 387 D N 2.097 122.329 120.400 -0.281 0.000 2.450 387 D HA 0.056 4.695 4.640 -0.001 0.000 0.247 387 D C -1.350 174.571 176.300 -0.632 0.000 1.162 387 D CA -1.359 52.428 54.000 -0.355 0.000 0.879 387 D CB 1.294 41.971 40.800 -0.205 0.000 1.163 387 D HN 0.384 nan 8.370 nan 0.000 0.472 388 P HA -0.013 nan 4.420 nan 0.000 0.249 388 P C 1.114 178.095 177.300 -0.533 0.000 1.229 388 P CA 0.146 62.553 63.100 -1.156 0.000 0.788 388 P CB 0.333 31.188 31.700 -1.408 0.000 1.072 389 T N 0.123 114.481 114.554 -0.327 0.000 2.607 389 T HA -0.134 4.215 4.350 -0.001 0.000 0.267 389 T C 1.798 176.442 174.700 -0.094 0.000 1.049 389 T CA 2.446 64.456 62.100 -0.151 0.000 1.162 389 T CB -1.091 67.729 68.868 -0.080 0.000 0.863 389 T HN 0.209 nan 8.240 nan 0.000 0.424 390 T N 2.085 116.587 114.554 -0.087 0.000 2.777 390 T HA -0.034 4.315 4.350 -0.001 0.000 0.266 390 T C -0.586 174.079 174.700 -0.058 0.000 1.040 390 T CA 1.057 63.137 62.100 -0.035 0.000 1.141 390 T CB -1.152 67.732 68.868 0.027 0.000 0.868 390 T HN 0.335 nan 8.240 nan 0.000 0.444 391 P HA 0.012 nan 4.420 nan 0.000 0.215 391 P C 1.492 178.834 177.300 0.070 0.000 1.153 391 P CA 0.890 63.990 63.100 -0.000 0.000 0.853 391 P CB -0.160 31.503 31.700 -0.061 0.000 0.788 392 L N -1.475 119.749 121.223 0.003 0.000 2.109 392 L HA -0.100 4.240 4.340 -0.001 0.000 0.207 392 L C 2.420 179.342 176.870 0.087 0.000 1.086 392 L CA 1.307 56.182 54.840 0.059 0.000 0.760 392 L CB -1.077 40.982 42.059 -0.001 0.000 0.910 392 L HN -0.042 nan 8.230 nan 0.000 0.437 393 A N 0.423 123.278 122.820 0.059 0.000 1.902 393 A HA -0.189 4.131 4.320 -0.001 0.000 0.217 393 A C 2.371 180.030 177.584 0.126 0.000 1.181 393 A CA 1.357 53.447 52.037 0.088 0.000 0.623 393 A CB -0.405 18.622 19.000 0.045 0.000 0.818 393 A HN 0.321 nan 8.150 nan 0.000 0.443 394 R N -0.536 120.010 120.500 0.077 0.000 2.115 394 R HA 0.014 4.353 4.340 -0.001 0.000 0.230 394 R C 2.399 178.853 176.300 0.258 0.000 1.111 394 R CA 0.973 57.134 56.100 0.103 0.000 0.976 394 R CB -0.390 29.910 30.300 0.001 0.000 0.870 394 R HN 0.509 nan 8.270 nan 0.000 0.445 395 A N 1.439 124.434 122.820 0.292 0.000 1.898 395 A HA -0.073 4.246 4.320 -0.001 0.000 0.216 395 A C 2.387 180.205 177.584 0.391 0.000 1.181 395 A CA 1.537 53.859 52.037 0.476 0.000 0.620 395 A CB -0.566 18.741 19.000 0.512 0.000 0.819 395 A HN 0.362 nan 8.150 nan 0.000 0.442 396 A N -1.279 121.681 122.820 0.233 0.000 1.902 396 A HA -0.202 4.118 4.320 -0.001 0.000 0.217 396 A C 2.109 179.800 177.584 0.178 0.000 1.181 396 A CA 1.454 53.580 52.037 0.148 0.000 0.623 396 A CB -0.868 18.204 19.000 0.120 0.000 0.818 396 A HN 0.829 nan 8.150 nan 0.000 0.443 397 W N 0.999 122.341 121.300 0.070 0.000 2.355 397 W HA -0.137 4.523 4.660 -0.001 0.000 0.309 397 W C 1.657 178.224 176.519 0.079 0.000 1.206 397 W CA 1.890 59.265 57.345 0.050 0.000 1.284 397 W CB -0.371 29.102 29.460 0.021 0.000 1.145 397 W HN 0.556 nan 8.180 nan 0.000 0.502 398 E N -0.736 119.721 120.200 0.428 0.000 2.409 398 E HA -0.134 4.216 4.350 -0.001 0.000 0.198 398 E C 1.912 178.656 176.600 0.239 0.000 1.024 398 E CA 1.334 57.943 56.400 0.348 0.000 0.861 398 E CB -0.125 29.824 29.700 0.415 0.000 0.788 398 E HN 0.086 nan 8.360 nan 0.000 0.521 399 T N 0.124 114.804 114.554 0.210 0.000 2.904 399 T HA -0.041 4.309 4.350 -0.001 0.000 0.267 399 T C 1.683 176.369 174.700 -0.023 0.000 1.059 399 T CA 1.222 63.381 62.100 0.097 0.000 1.137 399 T CB 0.104 69.039 68.868 0.112 0.000 0.879 399 T HN 0.228 nan 8.240 nan 0.000 0.467 400 A N 0.137 122.915 122.820 -0.070 0.000 2.382 400 A HA 0.370 4.690 4.320 -0.001 0.000 0.228 400 A C 0.751 178.276 177.584 -0.099 0.000 1.217 400 A CA -0.164 51.803 52.037 -0.116 0.000 0.923 400 A CB 0.531 19.415 19.000 -0.193 0.000 0.979 400 A HN 0.093 nan 8.150 nan 0.000 0.515 401 R N 0.456 120.914 120.500 -0.070 0.000 2.564 401 R HA 0.360 4.699 4.340 -0.001 0.000 0.284 401 R C -1.702 174.668 176.300 0.116 0.000 1.031 401 R CA -0.542 55.590 56.100 0.053 0.000 0.904 401 R CB 0.964 31.284 30.300 0.032 0.000 1.199 401 R HN 0.422 nan 8.270 nan 0.000 0.443 402 H N 0.631 119.782 119.070 0.135 0.000 2.652 402 H HA 0.288 4.843 4.556 -0.001 0.000 0.349 402 H C 0.576 175.995 175.328 0.152 0.000 1.099 402 H CA 0.527 56.663 56.048 0.145 0.000 1.417 402 H CB 0.965 30.792 29.762 0.108 0.000 1.457 402 H HN 0.584 nan 8.280 nan 0.000 0.568 403 T N -0.463 114.224 114.554 0.222 0.000 2.883 403 T HA 0.291 4.641 4.350 -0.001 0.000 0.296 403 T C -1.827 172.908 174.700 0.059 0.000 1.117 403 T CA -1.888 60.296 62.100 0.141 0.000 1.006 403 T CB 1.505 70.445 68.868 0.119 0.000 1.191 403 T HN 0.235 nan 8.240 nan 0.000 0.508 404 P HA 0.094 nan 4.420 nan 0.000 0.215 404 P C -0.168 177.049 177.300 -0.139 0.000 1.153 404 P CA 0.520 63.548 63.100 -0.121 0.000 0.853 404 P CB 0.126 31.765 31.700 -0.102 0.000 0.788 405 V N 1.006 120.865 119.914 -0.091 0.000 2.444 405 V HA 0.213 4.333 4.120 -0.001 0.000 0.294 405 V C -0.263 175.771 176.094 -0.100 0.000 1.022 405 V CA -0.851 61.384 62.300 -0.109 0.000 0.850 405 V CB 1.642 33.403 31.823 -0.104 0.000 0.992 405 V HN -0.003 nan 8.190 nan 0.000 0.426 406 N N 3.157 121.753 118.700 -0.175 0.000 2.482 406 N HA 0.058 4.798 4.740 -0.001 0.000 0.242 406 N C 1.400 176.685 175.510 -0.375 0.000 1.100 406 N CA 0.203 53.092 53.050 -0.269 0.000 0.946 406 N CB 1.636 39.831 38.487 -0.486 0.000 1.227 406 N HN 0.839 nan 8.380 nan 0.000 0.508 407 S N 2.293 117.899 115.700 -0.155 0.000 2.400 407 S HA -0.130 4.339 4.470 -0.001 0.000 0.232 407 S C 1.834 176.382 174.600 -0.086 0.000 1.025 407 S CA 0.349 58.494 58.200 -0.092 0.000 0.993 407 S CB -0.412 62.790 63.200 0.003 0.000 0.808 407 S HN 0.795 nan 8.310 nan 0.000 0.478 408 W N 1.325 122.537 121.300 -0.145 0.000 2.363 408 W HA -0.013 4.646 4.660 -0.001 0.000 0.296 408 W C 1.690 178.123 176.519 -0.144 0.000 1.212 408 W CA 0.500 57.726 57.345 -0.198 0.000 1.260 408 W CB -1.070 27.940 29.460 -0.750 0.000 1.131 408 W HN 0.366 nan 8.180 nan 0.000 0.530 409 L N 2.860 123.377 121.223 -1.177 0.000 2.044 409 L HA 0.171 4.511 4.340 -0.001 0.000 0.205 409 L C 2.670 179.311 176.870 -0.380 0.000 1.075 409 L CA 2.824 57.056 54.840 -1.014 0.000 0.747 409 L CB -1.427 39.852 42.059 -1.300 0.000 0.903 409 L HN 0.041 nan 8.230 nan 0.000 0.435 410 G N -0.631 107.979 108.800 -0.317 0.000 2.422 410 G HA2 -0.290 3.670 3.960 -0.001 0.000 0.218 410 G HA3 -0.290 3.670 3.960 -0.001 0.000 0.218 410 G C 1.453 176.346 174.900 -0.011 0.000 1.146 410 G CA 0.773 45.777 45.100 -0.161 0.000 0.769 410 G HN 0.452 nan 8.290 nan 0.000 0.547 411 N N 0.501 119.255 118.700 0.090 0.000 2.216 411 N HA 0.008 4.748 4.740 -0.001 0.000 0.183 411 N C 2.228 177.873 175.510 0.224 0.000 1.017 411 N CA 0.531 53.764 53.050 0.304 0.000 0.861 411 N CB -0.101 38.644 38.487 0.430 0.000 0.986 411 N HN 0.330 nan 8.380 nan 0.000 0.428 412 I N 0.971 121.627 120.570 0.143 0.000 2.226 412 I HA -0.208 3.961 4.170 -0.001 0.000 0.245 412 I C 2.011 178.175 176.117 0.079 0.000 1.100 412 I CA 0.844 62.214 61.300 0.116 0.000 1.374 412 I CB -0.109 38.018 38.000 0.211 0.000 1.057 412 I HN 0.036 nan 8.210 nan 0.000 0.413 413 I N -0.022 120.595 120.570 0.078 0.000 2.202 413 I HA -0.293 3.877 4.170 -0.001 0.000 0.242 413 I C 2.473 178.691 176.117 0.168 0.000 1.091 413 I CA 1.229 62.607 61.300 0.130 0.000 1.368 413 I CB -0.226 37.826 38.000 0.087 0.000 1.058 413 I HN 0.204 nan 8.210 nan 0.000 0.410 414 M N -0.700 118.915 119.600 0.026 0.000 2.254 414 M HA -0.115 4.365 4.480 -0.001 0.000 0.265 414 M C 1.018 177.111 176.300 -0.345 0.000 1.066 414 M CA 1.708 56.913 55.300 -0.158 0.000 1.123 414 M CB -0.737 31.635 32.600 -0.379 0.000 1.388 414 M HN 0.211 nan 8.290 nan 0.000 0.425 415 Y N -0.700 119.599 120.300 -0.002 0.000 2.720 415 Y HA 0.492 5.042 4.550 -0.001 0.000 0.268 415 Y C 1.804 177.456 175.900 -0.413 0.000 1.142 415 Y CA -0.355 57.636 58.100 -0.181 0.000 1.193 415 Y CB -0.883 37.453 38.460 -0.206 0.000 1.176 415 Y HN 0.149 nan 8.280 nan 0.000 0.542 416 A N 0.960 123.580 122.820 -0.333 0.000 1.958 416 A HA -0.190 4.129 4.320 -0.001 0.000 0.221 416 A C -0.392 176.934 177.584 -0.430 0.000 1.178 416 A CA 1.885 53.703 52.037 -0.364 0.000 0.642 416 A CB -1.375 17.426 19.000 -0.331 0.000 0.816 416 A HN 0.294 nan 8.150 nan 0.000 0.453 417 P HA 0.005 nan 4.420 nan 0.000 0.229 417 P C 0.717 177.758 177.300 -0.433 0.000 1.160 417 P CA 1.271 64.105 63.100 -0.444 0.000 0.777 417 P CB -0.376 31.079 31.700 -0.409 0.000 0.814 418 T N -2.359 111.948 114.554 -0.412 0.000 2.926 418 T HA 0.058 4.408 4.350 -0.001 0.000 0.307 418 T C 1.148 175.444 174.700 -0.673 0.000 1.059 418 T CA -0.544 61.260 62.100 -0.493 0.000 1.122 418 T CB 0.515 68.910 68.868 -0.789 0.000 0.972 418 T HN -0.169 nan 8.240 nan 0.000 0.545 419 L N 2.697 123.432 121.223 -0.814 0.000 2.042 419 L HA 0.006 4.346 4.340 -0.001 0.000 0.210 419 L C 2.415 178.969 176.870 -0.527 0.000 1.076 419 L CA 1.770 56.110 54.840 -0.833 0.000 0.749 419 L CB -0.833 40.607 42.059 -1.032 0.000 0.893 419 L HN 0.932 nan 8.230 nan 0.000 0.432 420 W N -0.770 120.320 121.300 -0.350 0.000 2.418 420 W HA 0.045 4.704 4.660 -0.001 0.000 0.292 420 W C 2.039 178.425 176.519 -0.221 0.000 1.213 420 W CA 0.809 57.987 57.345 -0.278 0.000 1.283 420 W CB -1.467 27.868 29.460 -0.208 0.000 1.119 420 W HN 0.315 nan 8.180 nan 0.000 0.542 421 A N 1.900 124.220 122.820 -0.833 0.000 1.898 421 A HA -0.138 4.182 4.320 -0.001 0.000 0.216 421 A C 2.263 179.689 177.584 -0.263 0.000 1.181 421 A CA 1.835 53.557 52.037 -0.525 0.000 0.620 421 A CB -0.740 17.815 19.000 -0.742 0.000 0.819 421 A HN 0.311 nan 8.150 nan 0.000 0.442 422 R N -1.329 118.946 120.500 -0.375 0.000 2.057 422 R HA 0.024 4.364 4.340 -0.001 0.000 0.229 422 R C 2.398 178.506 176.300 -0.319 0.000 1.136 422 R CA 1.526 57.446 56.100 -0.301 0.000 0.952 422 R CB -0.416 29.605 30.300 -0.465 0.000 0.848 422 R HN 0.630 nan 8.270 nan 0.000 0.430 423 M N 0.444 119.681 119.600 -0.605 0.000 2.099 423 M HA -0.126 4.354 4.480 -0.001 0.000 0.262 423 M C 1.727 177.789 176.300 -0.395 0.000 1.067 423 M CA 1.848 56.774 55.300 -0.623 0.000 1.124 423 M CB 0.162 32.406 32.600 -0.593 0.000 1.353 423 M HN 0.105 nan 8.290 nan 0.000 0.410 424 I N -0.778 119.478 120.570 -0.522 0.000 2.726 424 I HA -0.138 4.032 4.170 -0.001 0.000 0.243 424 I C 2.124 178.088 176.117 -0.255 0.000 1.082 424 I CA 0.308 61.118 61.300 -0.816 0.000 1.447 424 I CB -0.396 37.175 38.000 -0.715 0.000 1.250 424 I HN 0.234 nan 8.210 nan 0.000 0.453 425 L N 0.315 121.565 121.223 0.044 0.000 1.989 425 L HA -0.234 4.106 4.340 -0.001 0.000 0.211 425 L C 2.712 179.879 176.870 0.495 0.000 1.071 425 L CA 1.711 56.770 54.840 0.366 0.000 0.749 425 L CB -0.504 41.798 42.059 0.405 0.000 0.890 425 L HN 0.291 nan 8.230 nan 0.000 0.431 426 M N -0.849 118.999 119.600 0.414 0.000 2.067 426 M HA -0.189 4.291 4.480 -0.001 0.000 0.260 426 M C 2.345 179.133 176.300 0.814 0.000 1.069 426 M CA 2.165 57.815 55.300 0.583 0.000 1.117 426 M CB -0.678 32.079 32.600 0.262 0.000 1.334 426 M HN 0.273 nan 8.290 nan 0.000 0.407 427 T N -1.269 113.730 114.554 0.741 0.000 2.652 427 T HA -0.243 4.107 4.350 -0.001 0.000 0.267 427 T C 1.665 176.638 174.700 0.454 0.000 1.039 427 T CA 2.022 64.505 62.100 0.638 0.000 1.153 427 T CB -0.639 68.631 68.868 0.671 0.000 0.863 427 T HN 0.463 nan 8.240 nan 0.000 0.428 428 H N 0.471 119.690 119.070 0.247 0.000 2.290 428 H HA -0.040 4.515 4.556 -0.001 0.000 0.298 428 H C 1.811 177.004 175.328 -0.225 0.000 1.087 428 H CA 1.671 57.738 56.048 0.032 0.000 1.291 428 H CB -0.539 29.115 29.762 -0.180 0.000 1.369 428 H HN 0.359 nan 8.280 nan 0.000 0.492 429 F N -1.201 118.684 119.950 -0.108 0.000 2.259 429 F HA -0.005 4.522 4.527 -0.001 0.000 0.298 429 F C 2.004 177.649 175.800 -0.259 0.000 1.088 429 F CA 0.543 58.249 58.000 -0.491 0.000 1.358 429 F CB -0.513 37.789 39.000 -1.162 0.000 1.040 429 F HN 0.141 nan 8.300 nan 0.000 0.505 430 F N -0.482 119.555 119.950 0.146 0.000 2.293 430 F HA -0.176 4.351 4.527 -0.001 0.000 0.300 430 F C 2.713 178.539 175.800 0.043 0.000 1.086 430 F CA 1.404 59.511 58.000 0.180 0.000 1.375 430 F CB -0.773 38.452 39.000 0.375 0.000 1.045 430 F HN -0.076 nan 8.300 nan 0.000 0.516 431 S N 0.409 116.184 115.700 0.126 0.000 2.356 431 S HA -0.174 4.296 4.470 -0.001 0.000 0.223 431 S C 2.149 176.710 174.600 -0.065 0.000 1.032 431 S CA 1.431 59.637 58.200 0.009 0.000 1.005 431 S CB -0.448 62.741 63.200 -0.018 0.000 0.867 431 S HN 0.331 nan 8.310 nan 0.000 0.449 432 I N 1.370 121.834 120.570 -0.177 0.000 2.179 432 I HA -0.180 3.989 4.170 -0.001 0.000 0.242 432 I C 2.261 178.327 176.117 -0.084 0.000 1.088 432 I CA 1.210 62.398 61.300 -0.186 0.000 1.357 432 I CB -0.384 37.422 38.000 -0.324 0.000 1.051 432 I HN 0.317 nan 8.210 nan 0.000 0.409 433 L N 0.069 121.248 121.223 -0.073 0.000 2.083 433 L HA -0.231 4.109 4.340 -0.001 0.000 0.209 433 L C 2.528 179.405 176.870 0.011 0.000 1.083 433 L CA 1.238 56.061 54.840 -0.030 0.000 0.752 433 L CB -0.555 41.452 42.059 -0.087 0.000 0.899 433 L HN 0.297 nan 8.230 nan 0.000 0.433 434 L N -0.288 120.954 121.223 0.031 0.000 2.017 434 L HA -0.188 4.152 4.340 -0.001 0.000 0.208 434 L C 2.894 179.777 176.870 0.022 0.000 1.073 434 L CA 1.265 56.133 54.840 0.048 0.000 0.745 434 L CB -0.654 41.440 42.059 0.058 0.000 0.894 434 L HN 0.233 nan 8.230 nan 0.000 0.432 435 A N -0.975 121.846 122.820 0.002 0.000 1.972 435 A HA -0.191 4.129 4.320 -0.001 0.000 0.219 435 A C 2.084 179.671 177.584 0.005 0.000 1.169 435 A CA 1.320 53.354 52.037 -0.004 0.000 0.635 435 A CB -0.231 18.756 19.000 -0.022 0.000 0.810 435 A HN 0.428 nan 8.150 nan 0.000 0.446 436 Q N -0.912 118.895 119.800 0.010 0.000 2.319 436 Q HA 0.096 4.436 4.340 -0.001 0.000 0.202 436 Q C -0.466 175.553 176.000 0.032 0.000 0.896 436 Q CA 0.346 56.163 55.803 0.024 0.000 0.942 436 Q CB 0.106 28.866 28.738 0.037 0.000 1.083 436 Q HN 0.773 nan 8.270 nan 0.000 0.510 437 E N 0.774 120.993 120.200 0.031 0.000 2.320 437 E HA -0.232 4.118 4.350 -0.001 0.000 0.234 437 E C -0.389 176.238 176.600 0.044 0.000 1.183 437 E CA 0.269 56.692 56.400 0.038 0.000 0.713 437 E CB -1.009 28.710 29.700 0.033 0.000 1.226 437 E HN 0.448 nan 8.360 nan 0.000 0.382 438 Q N -0.423 119.405 119.800 0.047 0.000 2.141 438 Q HA 0.203 4.542 4.340 -0.001 0.000 0.248 438 Q C 1.534 177.566 176.000 0.053 0.000 0.834 438 Q CA -0.252 55.584 55.803 0.056 0.000 1.096 438 Q CB 0.505 29.285 28.738 0.071 0.000 1.189 438 Q HN 0.375 nan 8.270 nan 0.000 0.471 439 L N 0.358 121.611 121.223 0.050 0.000 2.127 439 L HA -0.191 4.149 4.340 -0.001 0.000 0.211 439 L C 1.585 178.494 176.870 0.065 0.000 1.089 439 L CA 1.517 56.388 54.840 0.051 0.000 0.757 439 L CB -0.067 42.050 42.059 0.096 0.000 0.899 439 L HN 0.301 nan 8.230 nan 0.000 0.434 440 E N -0.358 119.882 120.200 0.066 0.000 2.479 440 E HA -0.026 4.324 4.350 -0.001 0.000 0.193 440 E C 0.536 177.173 176.600 0.061 0.000 1.049 440 E CA -0.106 56.333 56.400 0.065 0.000 0.870 440 E CB 0.270 30.005 29.700 0.058 0.000 0.944 440 E HN 0.211 nan 8.360 nan 0.000 0.492 441 K N 1.980 122.418 120.400 0.064 0.000 2.310 441 K HA 0.285 4.605 4.320 -0.001 0.000 0.290 441 K C -0.462 176.179 176.600 0.068 0.000 1.077 441 K CA -0.327 56.000 56.287 0.067 0.000 0.922 441 K CB 0.658 33.203 32.500 0.075 0.000 1.057 441 K HN -0.077 nan 8.250 nan 0.000 0.479 442 A N 5.410 128.268 122.820 0.062 0.000 2.511 442 A HA 0.255 4.575 4.320 -0.001 0.000 0.242 442 A C -0.417 177.195 177.584 0.048 0.000 1.069 442 A CA -0.043 52.028 52.037 0.057 0.000 0.763 442 A CB 0.073 19.112 19.000 0.065 0.000 1.001 442 A HN 0.780 nan 8.150 nan 0.000 0.498 443 L N 2.074 123.307 121.223 0.017 0.000 2.354 443 L HA 0.405 4.744 4.340 -0.001 0.000 0.269 443 L C -0.777 176.060 176.870 -0.056 0.000 1.005 443 L CA -1.078 53.752 54.840 -0.017 0.000 0.819 443 L CB 2.028 44.059 42.059 -0.047 0.000 1.311 443 L HN 0.594 nan 8.230 nan 0.000 0.423 444 D N 1.255 121.614 120.400 -0.068 0.000 2.256 444 D HA 0.483 5.123 4.640 -0.001 0.000 0.250 444 D C -0.417 175.799 176.300 -0.140 0.000 1.093 444 D CA -0.039 53.918 54.000 -0.073 0.000 0.882 444 D CB 1.802 42.550 40.800 -0.087 0.000 1.185 444 D HN 0.607 nan 8.370 nan 0.000 0.437 445 C N 0.118 119.341 119.300 -0.128 0.000 3.323 445 C HA 0.655 5.115 4.460 -0.001 0.000 0.324 445 C C -1.002 173.921 174.990 -0.112 0.000 1.428 445 C CA -0.887 58.028 59.018 -0.173 0.000 1.368 445 C CB 1.587 29.169 27.740 -0.264 0.000 1.731 445 C HN 0.507 nan 8.230 nan 0.000 0.455 446 Q N 0.290 120.022 119.800 -0.113 0.000 2.365 446 Q HA 0.758 5.098 4.340 -0.001 0.000 0.269 446 Q C -1.406 174.539 176.000 -0.092 0.000 1.061 446 Q CA -0.467 55.296 55.803 -0.067 0.000 0.816 446 Q CB 2.556 31.265 28.738 -0.048 0.000 1.325 446 Q HN 0.724 nan 8.270 nan 0.000 0.446 447 I N 2.669 123.198 120.570 -0.068 0.000 2.497 447 I HA 0.177 4.346 4.170 -0.001 0.000 0.284 447 I C -1.137 174.996 176.117 0.028 0.000 1.060 447 I CA -0.720 60.462 61.300 -0.196 0.000 1.071 447 I CB 1.067 38.657 38.000 -0.684 0.000 1.216 447 I HN 0.657 nan 8.210 nan 0.000 0.442 448 Y N 4.927 125.245 120.300 0.031 0.000 3.589 448 Y HA -0.253 4.297 4.550 -0.001 0.000 0.218 448 Y C 1.453 177.291 175.900 -0.103 0.000 1.234 448 Y CA 1.141 59.230 58.100 -0.018 0.000 1.576 448 Y CB -1.936 36.519 38.460 -0.008 0.000 1.487 448 Y HN 0.980 nan 8.280 nan 0.000 0.616 449 G N -2.033 106.827 108.800 0.101 0.000 2.284 449 G HA2 -0.045 3.914 3.960 -0.001 0.000 0.247 449 G HA3 -0.045 3.914 3.960 -0.001 0.000 0.247 449 G C 0.501 175.402 174.900 0.001 0.000 1.012 449 G CA 0.287 45.408 45.100 0.036 0.000 0.618 449 G HN 1.593 nan 8.290 nan 0.000 0.521 450 A N -0.431 122.384 122.820 -0.009 0.000 2.316 450 A HA 0.628 4.948 4.320 -0.001 0.000 0.284 450 A C 0.665 178.041 177.584 -0.346 0.000 1.115 450 A CA 0.495 52.351 52.037 -0.303 0.000 0.812 450 A CB 0.886 19.563 19.000 -0.539 0.000 1.064 450 A HN 1.427 nan 8.150 nan 0.000 0.489 451 C N 2.196 121.220 119.300 -0.460 0.000 2.388 451 C HA 0.752 5.212 4.460 -0.001 0.000 0.362 451 C C -0.938 173.706 174.990 -0.577 0.000 1.266 451 C CA -0.342 58.505 59.018 -0.284 0.000 2.028 451 C CB -1.172 26.548 27.740 -0.035 0.000 2.440 451 C HN 0.667 nan 8.230 nan 0.000 0.547 452 Y N 2.371 122.527 120.300 -0.240 0.000 2.512 452 Y HA 0.440 4.990 4.550 -0.001 0.000 0.348 452 Y C 0.273 176.107 175.900 -0.110 0.000 0.990 452 Y CA -0.453 57.480 58.100 -0.279 0.000 1.033 452 Y CB 1.816 40.040 38.460 -0.393 0.000 1.259 452 Y HN 0.545 nan 8.280 nan 0.000 0.461 453 S N 3.735 119.502 115.700 0.111 0.000 2.420 453 S HA 0.678 5.147 4.470 -0.001 0.000 0.313 453 S C -0.973 173.692 174.600 0.108 0.000 1.079 453 S CA -0.331 57.944 58.200 0.124 0.000 1.104 453 S CB -0.498 62.809 63.200 0.179 0.000 0.969 453 S HN 0.518 nan 8.310 nan 0.000 0.471 454 I N 3.808 124.414 120.570 0.061 0.000 2.569 454 I HA 0.396 4.566 4.170 -0.001 0.000 0.296 454 I C -0.152 175.992 176.117 0.045 0.000 1.028 454 I CA -0.756 60.587 61.300 0.070 0.000 1.082 454 I CB 2.219 40.251 38.000 0.053 0.000 1.264 454 I HN 0.525 nan 8.210 nan 0.000 0.429 455 E N 6.470 126.711 120.200 0.068 0.000 2.167 455 E HA 0.193 4.543 4.350 -0.001 0.000 0.284 455 E C -1.836 174.813 176.600 0.082 0.000 1.016 455 E CA -1.563 54.877 56.400 0.067 0.000 0.817 455 E CB 1.366 31.108 29.700 0.070 0.000 1.080 455 E HN 0.321 nan 8.360 nan 0.000 0.397 456 P HA -0.198 nan 4.420 nan 0.000 0.216 456 P C 1.020 178.456 177.300 0.226 0.000 1.150 456 P CA 1.125 64.294 63.100 0.115 0.000 0.843 456 P CB 0.228 31.931 31.700 0.005 0.000 0.787 457 L N -0.821 120.511 121.223 0.183 0.000 2.353 457 L HA -0.150 4.190 4.340 -0.001 0.000 0.220 457 L C 1.266 178.228 176.870 0.152 0.000 1.133 457 L CA 1.219 56.181 54.840 0.203 0.000 0.798 457 L CB -0.685 41.459 42.059 0.142 0.000 0.922 457 L HN 0.017 nan 8.230 nan 0.000 0.445 458 D N -0.392 120.083 120.400 0.124 0.000 2.340 458 D HA 0.023 4.663 4.640 -0.001 0.000 0.220 458 D C 2.225 178.586 176.300 0.101 0.000 1.039 458 D CA 0.239 54.288 54.000 0.081 0.000 0.866 458 D CB 0.364 41.196 40.800 0.053 0.000 0.913 458 D HN 0.315 nan 8.370 nan 0.000 0.523 459 L N 0.955 122.281 121.223 0.172 0.000 2.042 459 L HA -0.156 4.184 4.340 -0.001 0.000 0.210 459 L C -0.432 176.542 176.870 0.172 0.000 1.076 459 L CA 1.540 56.500 54.840 0.200 0.000 0.749 459 L CB -1.551 40.693 42.059 0.308 0.000 0.893 459 L HN 0.035 nan 8.230 nan 0.000 0.432 460 P HA -0.238 nan 4.420 nan 0.000 0.214 460 P C 1.541 178.883 177.300 0.070 0.000 1.163 460 P CA 1.376 64.494 63.100 0.030 0.000 0.883 460 P CB -0.027 31.544 31.700 -0.216 0.000 0.788 461 Q N -0.210 119.581 119.800 -0.016 0.000 2.050 461 Q HA -0.171 4.168 4.340 -0.001 0.000 0.202 461 Q C 2.084 178.081 176.000 -0.006 0.000 0.980 461 Q CA 1.650 57.433 55.803 -0.033 0.000 0.840 461 Q CB -0.687 28.014 28.738 -0.060 0.000 0.898 461 Q HN 0.163 nan 8.270 nan 0.000 0.424 462 I N 0.655 121.229 120.570 0.006 0.000 2.208 462 I HA -0.315 3.855 4.170 -0.001 0.000 0.245 462 I C 2.323 178.473 176.117 0.055 0.000 1.097 462 I CA 1.173 62.461 61.300 -0.020 0.000 1.363 462 I CB -0.268 37.761 38.000 0.048 0.000 1.051 462 I HN 0.312 nan 8.210 nan 0.000 0.413 463 I N 0.249 120.910 120.570 0.152 0.000 2.252 463 I HA -0.264 3.906 4.170 -0.001 0.000 0.245 463 I C 2.657 178.809 176.117 0.059 0.000 1.102 463 I CA 1.292 62.696 61.300 0.173 0.000 1.385 463 I CB -0.427 37.684 38.000 0.185 0.000 1.064 463 I HN 0.314 nan 8.210 nan 0.000 0.414 464 E N 1.279 121.557 120.200 0.129 0.000 2.072 464 E HA -0.213 4.136 4.350 -0.001 0.000 0.191 464 E C 2.363 178.967 176.600 0.006 0.000 0.985 464 E CA 0.959 57.411 56.400 0.087 0.000 0.801 464 E CB 0.143 29.953 29.700 0.182 0.000 0.750 464 E HN 0.342 nan 8.360 nan 0.000 0.452 465 R N 0.152 120.639 120.500 -0.021 0.000 2.075 465 R HA -0.071 4.269 4.340 -0.001 0.000 0.232 465 R C 2.517 178.760 176.300 -0.094 0.000 1.126 465 R CA 0.860 56.922 56.100 -0.065 0.000 0.963 465 R CB -0.429 29.806 30.300 -0.108 0.000 0.858 465 R HN 0.329 nan 8.270 nan 0.000 0.435 466 L N -0.783 120.362 121.223 -0.130 0.000 2.249 466 L HA -0.019 4.320 4.340 -0.001 0.000 0.207 466 L C 1.870 178.472 176.870 -0.448 0.000 1.090 466 L CA 0.904 55.576 54.840 -0.281 0.000 0.802 466 L CB -0.263 41.593 42.059 -0.337 0.000 0.947 466 L HN 0.242 nan 8.230 nan 0.000 0.453 467 H N -0.719 118.296 119.070 -0.090 0.000 3.058 467 H HA 0.314 4.870 4.556 -0.001 0.000 0.258 467 H C 0.886 176.133 175.328 -0.135 0.000 1.015 467 H CA 0.773 56.748 56.048 -0.122 0.000 1.210 467 H CB 1.107 30.767 29.762 -0.170 0.000 1.481 467 H HN 0.267 nan 8.280 nan 0.000 0.492 468 G N 0.984 109.765 108.800 -0.031 0.000 2.730 468 G HA2 -0.220 3.740 3.960 -0.001 0.000 0.686 468 G HA3 -0.220 3.740 3.960 -0.001 0.000 0.686 468 G C 0.661 175.505 174.900 -0.093 0.000 1.343 468 G CA -0.177 44.901 45.100 -0.036 0.000 0.826 468 G HN 0.220 nan 8.290 nan 0.000 0.582 469 L N 1.078 122.314 121.223 0.021 0.000 2.187 469 L HA -0.134 4.205 4.340 -0.001 0.000 0.213 469 L C 3.211 180.102 176.870 0.036 0.000 1.100 469 L CA 2.284 57.207 54.840 0.140 0.000 0.765 469 L CB -0.460 41.739 42.059 0.234 0.000 0.904 469 L HN 0.980 nan 8.230 nan 0.000 0.437 470 S N -0.033 115.647 115.700 -0.032 0.000 2.440 470 S HA -0.175 4.295 4.470 -0.001 0.000 0.238 470 S C 2.052 176.565 174.600 -0.146 0.000 1.010 470 S CA 0.841 59.008 58.200 -0.054 0.000 0.972 470 S CB -0.309 62.852 63.200 -0.065 0.000 0.774 470 S HN 0.378 nan 8.310 nan 0.000 0.501 471 A N 0.517 123.154 122.820 -0.304 0.000 2.067 471 A HA 0.209 4.528 4.320 -0.001 0.000 0.219 471 A C 1.432 178.797 177.584 -0.365 0.000 1.158 471 A CA 0.818 52.598 52.037 -0.429 0.000 0.661 471 A CB -0.784 17.860 19.000 -0.592 0.000 0.801 471 A HN 0.603 nan 8.150 nan 0.000 0.452 472 F N 0.048 120.019 119.950 0.035 0.000 2.765 472 F HA 0.139 4.666 4.527 -0.001 0.000 0.302 472 F C 1.556 177.405 175.800 0.082 0.000 1.111 472 F CA 0.504 58.550 58.000 0.076 0.000 1.359 472 F CB 0.107 39.189 39.000 0.138 0.000 1.097 472 F HN 0.243 nan 8.300 nan 0.000 0.577 473 S N -1.258 114.541 115.700 0.164 0.000 3.082 473 S HA 0.315 4.785 4.470 -0.001 0.000 0.253 473 S C -0.202 174.455 174.600 0.097 0.000 0.961 473 S CA -0.459 57.835 58.200 0.156 0.000 1.129 473 S CB -0.841 62.449 63.200 0.149 0.000 1.083 473 S HN 0.037 nan 8.310 nan 0.000 0.605 474 L N 3.263 124.465 121.223 -0.035 0.000 2.456 474 L HA 0.504 4.843 4.340 -0.001 0.000 0.272 474 L C 0.570 177.331 176.870 -0.183 0.000 1.189 474 L CA 0.021 54.714 54.840 -0.245 0.000 0.846 474 L CB 0.069 41.859 42.059 -0.449 0.000 1.111 474 L HN 0.680 nan 8.230 nan 0.000 0.475 475 H N -1.380 117.499 119.070 -0.318 0.000 2.960 475 H HA 0.398 4.954 4.556 -0.001 0.000 0.323 475 H C -0.344 174.850 175.328 -0.222 0.000 1.326 475 H CA -1.007 54.926 56.048 -0.191 0.000 1.124 475 H CB 1.076 30.823 29.762 -0.024 0.000 1.853 475 H HN 0.395 nan 8.280 nan 0.000 0.536 476 S N -0.273 115.495 115.700 0.112 0.000 3.572 476 S HA -0.225 4.245 4.470 -0.001 0.000 0.394 476 S C -0.671 173.947 174.600 0.029 0.000 0.923 476 S CA 0.431 58.700 58.200 0.115 0.000 1.291 476 S CB -2.368 60.900 63.200 0.112 0.000 0.914 476 S HN 0.518 nan 8.310 nan 0.000 0.545 477 Y N 1.716 122.064 120.300 0.080 0.000 2.330 477 Y HA 0.319 4.869 4.550 -0.001 0.000 0.341 477 Y C 1.439 177.397 175.900 0.097 0.000 1.278 477 Y CA 0.298 58.445 58.100 0.079 0.000 1.453 477 Y CB 0.372 38.872 38.460 0.067 0.000 1.342 477 Y HN 0.549 nan 8.280 nan 0.000 0.590 478 S N 1.135 116.991 115.700 0.259 0.000 2.579 478 S HA 0.092 4.561 4.470 -0.001 0.000 0.275 478 S C -2.026 172.660 174.600 0.142 0.000 1.345 478 S CA -1.013 57.284 58.200 0.161 0.000 1.031 478 S CB 1.080 64.350 63.200 0.118 0.000 0.892 478 S HN 0.441 nan 8.310 nan 0.000 0.529 479 P HA 0.021 nan 4.420 nan 0.000 0.215 479 P C 1.718 179.059 177.300 0.068 0.000 1.153 479 P CA 1.602 64.750 63.100 0.080 0.000 0.853 479 P CB -0.423 31.314 31.700 0.062 0.000 0.788 480 G N -0.187 108.649 108.800 0.061 0.000 2.402 480 G HA2 -0.261 3.699 3.960 -0.001 0.000 0.216 480 G HA3 -0.261 3.699 3.960 -0.001 0.000 0.216 480 G C 1.658 176.588 174.900 0.049 0.000 1.162 480 G CA 0.775 45.901 45.100 0.043 0.000 0.777 480 G HN 0.248 nan 8.290 nan 0.000 0.539 481 E N 0.747 120.996 120.200 0.081 0.000 2.047 481 E HA -0.047 4.303 4.350 -0.001 0.000 0.191 481 E C 2.430 179.073 176.600 0.072 0.000 0.987 481 E CA 0.755 57.214 56.400 0.098 0.000 0.799 481 E CB -0.419 29.398 29.700 0.195 0.000 0.752 481 E HN 0.478 nan 8.360 nan 0.000 0.449 482 I N 0.914 121.535 120.570 0.086 0.000 2.208 482 I HA -0.310 3.859 4.170 -0.001 0.000 0.245 482 I C 1.873 178.013 176.117 0.037 0.000 1.097 482 I CA 1.192 62.527 61.300 0.058 0.000 1.363 482 I CB -0.442 37.609 38.000 0.085 0.000 1.051 482 I HN 0.181 nan 8.210 nan 0.000 0.413 483 N N 0.638 119.361 118.700 0.038 0.000 2.188 483 N HA -0.184 4.556 4.740 -0.001 0.000 0.184 483 N C 1.893 177.408 175.510 0.008 0.000 1.018 483 N CA 1.072 54.137 53.050 0.025 0.000 0.858 483 N CB -0.415 38.087 38.487 0.025 0.000 0.989 483 N HN 0.353 nan 8.380 nan 0.000 0.426 484 R N 0.916 121.416 120.500 0.001 0.000 2.073 484 R HA -0.032 4.308 4.340 -0.001 0.000 0.234 484 R C 1.907 178.178 176.300 -0.049 0.000 1.134 484 R CA 0.993 57.076 56.100 -0.028 0.000 0.952 484 R CB -0.139 30.137 30.300 -0.040 0.000 0.850 484 R HN -0.046 nan 8.270 nan 0.000 0.433 485 V N 1.026 120.918 119.914 -0.037 0.000 2.295 485 V HA -0.213 3.906 4.120 -0.001 0.000 0.246 485 V C 2.480 178.561 176.094 -0.020 0.000 1.049 485 V CA 1.897 64.169 62.300 -0.046 0.000 1.024 485 V CB -0.791 31.027 31.823 -0.008 0.000 0.648 485 V HN 0.557 nan 8.190 nan 0.000 0.447 486 A N -0.475 122.346 122.820 0.002 0.000 1.908 486 A HA -0.273 4.046 4.320 -0.001 0.000 0.218 486 A C 2.574 180.166 177.584 0.014 0.000 1.181 486 A CA 2.409 54.457 52.037 0.018 0.000 0.627 486 A CB -0.869 18.147 19.000 0.026 0.000 0.818 486 A HN 0.501 nan 8.150 nan 0.000 0.445 487 S N -1.227 114.475 115.700 0.004 0.000 2.353 487 S HA -0.232 4.238 4.470 -0.001 0.000 0.222 487 S C 2.117 176.719 174.600 0.003 0.000 1.035 487 S CA 1.691 59.894 58.200 0.005 0.000 1.025 487 S CB -1.030 62.167 63.200 -0.005 0.000 0.902 487 S HN 0.785 nan 8.310 nan 0.000 0.440 488 C N 1.607 120.893 119.300 -0.023 0.000 2.413 488 C HA -0.013 4.446 4.460 -0.001 0.000 0.276 488 C C 2.558 177.548 174.990 0.001 0.000 1.236 488 C CA 1.129 60.128 59.018 -0.031 0.000 1.735 488 C CB -1.792 25.889 27.740 -0.098 0.000 2.031 488 C HN 0.702 nan 8.230 nan 0.000 0.474 489 L N 0.169 121.397 121.223 0.009 0.000 2.079 489 L HA -0.140 4.200 4.340 -0.001 0.000 0.210 489 L C 3.002 179.892 176.870 0.034 0.000 1.081 489 L CA 1.727 56.587 54.840 0.034 0.000 0.752 489 L CB -0.815 41.278 42.059 0.057 0.000 0.896 489 L HN 0.407 nan 8.230 nan 0.000 0.433 490 R N 0.126 120.653 120.500 0.045 0.000 2.073 490 R HA -0.141 4.198 4.340 -0.001 0.000 0.229 490 R C 2.340 178.719 176.300 0.131 0.000 1.120 490 R CA 1.008 57.150 56.100 0.070 0.000 0.967 490 R CB -0.174 30.163 30.300 0.063 0.000 0.862 490 R HN 0.274 nan 8.270 nan 0.000 0.436 491 K N 1.171 121.637 120.400 0.110 0.000 2.026 491 K HA -0.110 4.210 4.320 -0.001 0.000 0.208 491 K C 1.842 178.598 176.600 0.260 0.000 1.048 491 K CA 1.266 57.642 56.287 0.149 0.000 0.929 491 K CB 0.032 32.581 32.500 0.081 0.000 0.713 491 K HN 0.122 nan 8.250 nan 0.000 0.439 492 L N -0.594 120.717 121.223 0.148 0.000 2.446 492 L HA 0.153 4.493 4.340 -0.001 0.000 0.219 492 L C 0.893 177.693 176.870 -0.117 0.000 1.116 492 L CA 0.429 55.338 54.840 0.115 0.000 0.844 492 L CB 0.145 42.245 42.059 0.069 0.000 0.970 492 L HN 0.569 nan 8.230 nan 0.000 0.457 493 G N 1.098 109.755 108.800 -0.238 0.000 2.303 493 G HA2 -0.204 3.755 3.960 -0.001 0.000 0.260 493 G HA3 -0.204 3.755 3.960 -0.001 0.000 0.260 493 G C -0.159 174.614 174.900 -0.213 0.000 1.106 493 G CA -0.140 44.643 45.100 -0.528 0.000 0.900 493 G HN 0.056 nan 8.290 nan 0.000 0.495 494 V N 0.786 120.674 119.914 -0.043 0.000 2.546 494 V HA 0.409 4.529 4.120 -0.001 0.000 0.284 494 V C -1.070 175.102 176.094 0.129 0.000 1.050 494 V CA -1.494 60.864 62.300 0.097 0.000 0.981 494 V CB 1.441 33.366 31.823 0.171 0.000 0.990 494 V HN 0.241 nan 8.190 nan 0.000 0.474 495 P HA 0.103 nan 4.420 nan 0.000 0.266 495 P C -2.385 174.992 177.300 0.129 0.000 1.193 495 P CA -0.552 62.522 63.100 -0.044 0.000 0.770 495 P CB -0.088 31.371 31.700 -0.402 0.000 0.836 496 P HA 0.007 nan 4.420 nan 0.000 0.275 496 P C 0.724 178.166 177.300 0.237 0.000 1.266 496 P CA -0.386 62.800 63.100 0.144 0.000 0.793 496 P CB 0.652 32.392 31.700 0.067 0.000 1.074 497 L N 1.877 123.251 121.223 0.251 0.000 2.013 497 L HA -0.223 4.117 4.340 -0.001 0.000 0.212 497 L C 2.863 179.895 176.870 0.270 0.000 1.073 497 L CA 2.160 57.177 54.840 0.295 0.000 0.753 497 L CB -1.285 40.893 42.059 0.198 0.000 0.890 497 L HN 0.405 nan 8.230 nan 0.000 0.432 498 R N -1.309 119.290 120.500 0.165 0.000 2.117 498 R HA -0.155 4.185 4.340 -0.001 0.000 0.243 498 R C 1.849 178.213 176.300 0.107 0.000 1.143 498 R CA 1.937 58.116 56.100 0.131 0.000 0.968 498 R CB -1.546 28.797 30.300 0.072 0.000 0.863 498 R HN 0.375 nan 8.270 nan 0.000 0.444 499 V N 0.457 120.376 119.914 0.009 0.000 2.307 499 V HA -0.176 3.944 4.120 -0.001 0.000 0.245 499 V C 2.080 178.131 176.094 -0.071 0.000 1.045 499 V CA 1.836 64.052 62.300 -0.141 0.000 1.024 499 V CB -0.715 30.882 31.823 -0.376 0.000 0.651 499 V HN 0.377 nan 8.190 nan 0.000 0.449 500 W N 0.149 121.555 121.300 0.177 0.000 2.374 500 W HA -0.105 4.555 4.660 -0.001 0.000 0.288 500 W C 2.732 179.464 176.519 0.355 0.000 1.218 500 W CA 1.391 58.893 57.345 0.262 0.000 1.245 500 W CB -0.238 29.384 29.460 0.270 0.000 1.126 500 W HN 0.061 nan 8.180 nan 0.000 0.545 501 R N -0.105 120.720 120.500 0.542 0.000 2.075 501 R HA -0.210 4.130 4.340 -0.001 0.000 0.232 501 R C 2.405 178.802 176.300 0.161 0.000 1.126 501 R CA 1.790 58.126 56.100 0.394 0.000 0.963 501 R CB -0.925 29.587 30.300 0.354 0.000 0.858 501 R HN 0.256 nan 8.270 nan 0.000 0.435 502 H N 0.955 120.068 119.070 0.071 0.000 2.353 502 H HA -0.087 4.469 4.556 -0.001 0.000 0.300 502 H C 1.751 177.060 175.328 -0.032 0.000 1.090 502 H CA 1.891 57.936 56.048 -0.005 0.000 1.327 502 H CB 0.123 29.870 29.762 -0.024 0.000 1.383 502 H HN 0.212 nan 8.280 nan 0.000 0.508 503 R N 0.092 120.703 120.500 0.185 0.000 2.075 503 R HA 0.009 4.348 4.340 -0.001 0.000 0.232 503 R C 2.701 178.970 176.300 -0.052 0.000 1.126 503 R CA 0.962 57.123 56.100 0.101 0.000 0.963 503 R CB -0.240 30.155 30.300 0.158 0.000 0.858 503 R HN 0.294 nan 8.270 nan 0.000 0.435 504 A N 1.442 124.241 122.820 -0.035 0.000 1.933 504 A HA -0.165 4.154 4.320 -0.001 0.000 0.218 504 A C 2.059 179.374 177.584 -0.448 0.000 1.175 504 A CA 1.166 53.007 52.037 -0.328 0.000 0.628 504 A CB -0.339 18.433 19.000 -0.381 0.000 0.814 504 A HN 0.212 nan 8.150 nan 0.000 0.444 505 R N -0.680 119.628 120.500 -0.321 0.000 2.096 505 R HA -0.099 4.241 4.340 -0.001 0.000 0.235 505 R C 2.636 178.768 176.300 -0.280 0.000 1.127 505 R CA 1.454 57.375 56.100 -0.298 0.000 0.968 505 R CB -0.423 29.722 30.300 -0.259 0.000 0.861 505 R HN 0.578 nan 8.270 nan 0.000 0.440 506 S N 0.393 115.926 115.700 -0.278 0.000 2.355 506 S HA -0.097 4.373 4.470 -0.001 0.000 0.222 506 S C 2.083 176.560 174.600 -0.204 0.000 1.031 506 S CA 1.202 59.272 58.200 -0.217 0.000 0.993 506 S CB -0.145 62.948 63.200 -0.178 0.000 0.859 506 S HN 0.103 nan 8.310 nan 0.000 0.453 507 V N 2.525 122.275 119.914 -0.272 0.000 2.287 507 V HA -0.168 3.952 4.120 -0.001 0.000 0.248 507 V C 2.755 178.658 176.094 -0.319 0.000 1.053 507 V CA 2.344 64.460 62.300 -0.308 0.000 1.027 507 V CB -0.849 30.662 31.823 -0.520 0.000 0.646 507 V HN 0.529 nan 8.190 nan 0.000 0.447 508 R N 0.216 120.458 120.500 -0.429 0.000 2.080 508 R HA -0.210 4.130 4.340 -0.001 0.000 0.236 508 R C 2.315 178.536 176.300 -0.132 0.000 1.137 508 R CA 1.965 57.919 56.100 -0.243 0.000 0.943 508 R CB -0.571 29.591 30.300 -0.230 0.000 0.846 508 R HN 0.472 nan 8.270 nan 0.000 0.431 509 A N 0.994 123.728 122.820 -0.142 0.000 1.883 509 A HA -0.203 4.117 4.320 -0.001 0.000 0.217 509 A C 2.223 179.768 177.584 -0.063 0.000 1.186 509 A CA 1.795 53.774 52.037 -0.096 0.000 0.624 509 A CB -0.491 18.447 19.000 -0.103 0.000 0.822 509 A HN 0.410 nan 8.150 nan 0.000 0.444 510 R N -0.512 119.949 120.500 -0.066 0.000 2.096 510 R HA -0.012 4.328 4.340 -0.001 0.000 0.235 510 R C 2.048 178.350 176.300 0.003 0.000 1.127 510 R CA 1.426 57.509 56.100 -0.029 0.000 0.968 510 R CB -0.497 29.787 30.300 -0.027 0.000 0.861 510 R HN 0.533 nan 8.270 nan 0.000 0.440 511 L N 0.253 121.482 121.223 0.011 0.000 2.027 511 L HA -0.166 4.173 4.340 -0.001 0.000 0.206 511 L C 2.277 179.172 176.870 0.041 0.000 1.074 511 L CA 1.153 56.029 54.840 0.060 0.000 0.745 511 L CB -0.497 41.620 42.059 0.097 0.000 0.898 511 L HN 0.183 nan 8.230 nan 0.000 0.433 512 L N -0.739 120.491 121.223 0.012 0.000 2.013 512 L HA -0.257 4.082 4.340 -0.001 0.000 0.212 512 L C 2.729 179.603 176.870 0.007 0.000 1.073 512 L CA 1.428 56.270 54.840 0.005 0.000 0.753 512 L CB -0.644 41.404 42.059 -0.020 0.000 0.890 512 L HN 0.222 nan 8.230 nan 0.000 0.432 513 S N -0.926 114.774 115.700 0.001 0.000 2.399 513 S HA -0.277 4.193 4.470 -0.001 0.000 0.231 513 S C 1.901 176.509 174.600 0.014 0.000 1.022 513 S CA 1.253 59.455 58.200 0.003 0.000 0.983 513 S CB -0.231 62.967 63.200 -0.003 0.000 0.803 513 S HN 0.383 nan 8.310 nan 0.000 0.480 514 Q N 0.704 120.519 119.800 0.026 0.000 2.291 514 Q HA 0.111 4.451 4.340 -0.001 0.000 0.206 514 Q C 1.068 177.090 176.000 0.036 0.000 0.976 514 Q CA 0.738 56.563 55.803 0.037 0.000 0.875 514 Q CB -0.400 28.372 28.738 0.057 0.000 0.927 514 Q HN 0.554 nan 8.270 nan 0.000 0.450 515 G N -1.748 107.072 108.800 0.033 0.000 2.752 515 G HA2 -0.077 3.882 3.960 -0.001 0.000 0.234 515 G HA3 -0.077 3.882 3.960 -0.001 0.000 0.234 515 G C 0.524 175.448 174.900 0.040 0.000 1.367 515 G CA -0.333 44.786 45.100 0.031 0.000 0.879 515 G HN 1.084 nan 8.290 nan 0.000 0.563 516 G N -0.844 107.977 108.800 0.034 0.000 2.594 516 G HA2 -0.256 3.704 3.960 -0.001 0.000 0.297 516 G HA3 -0.256 3.704 3.960 -0.001 0.000 0.297 516 G C 1.246 176.172 174.900 0.044 0.000 1.273 516 G CA 1.467 46.589 45.100 0.036 0.000 0.974 516 G HN 1.496 nan 8.290 nan 0.000 0.552 517 R N 0.233 120.762 120.500 0.048 0.000 2.105 517 R HA 0.002 4.341 4.340 -0.001 0.000 0.239 517 R C 3.168 179.520 176.300 0.088 0.000 1.135 517 R CA 1.877 58.011 56.100 0.056 0.000 0.967 517 R CB -0.641 29.696 30.300 0.061 0.000 0.861 517 R HN 0.696 nan 8.270 nan 0.000 0.442 518 A N 1.443 124.326 122.820 0.104 0.000 1.933 518 A HA -0.110 4.209 4.320 -0.001 0.000 0.218 518 A C 2.389 180.040 177.584 0.112 0.000 1.175 518 A CA 1.680 53.802 52.037 0.141 0.000 0.628 518 A CB -0.465 18.613 19.000 0.130 0.000 0.814 518 A HN 0.392 nan 8.150 nan 0.000 0.444 519 A N -1.088 121.778 122.820 0.077 0.000 1.898 519 A HA -0.045 4.275 4.320 -0.001 0.000 0.216 519 A C 2.276 179.902 177.584 0.070 0.000 1.181 519 A CA 2.132 54.205 52.037 0.059 0.000 0.620 519 A CB -1.179 17.847 19.000 0.043 0.000 0.819 519 A HN 0.414 nan 8.150 nan 0.000 0.442 520 T N -0.737 113.863 114.554 0.077 0.000 2.788 520 T HA -0.182 4.168 4.350 -0.001 0.000 0.268 520 T C 1.876 176.629 174.700 0.089 0.000 1.044 520 T CA 1.514 63.676 62.100 0.104 0.000 1.139 520 T CB -0.673 68.196 68.868 0.001 0.000 0.867 520 T HN 0.568 nan 8.240 nan 0.000 0.454 521 C N 1.320 120.649 119.300 0.049 0.000 2.429 521 C HA 0.032 4.492 4.460 -0.001 0.000 0.277 521 C C 3.109 178.082 174.990 -0.028 0.000 1.262 521 C CA 0.571 59.575 59.018 -0.024 0.000 1.733 521 C CB -1.485 26.281 27.740 0.044 0.000 2.010 521 C HN 0.725 nan 8.230 nan 0.000 0.483 522 G N -0.013 108.833 108.800 0.076 0.000 2.402 522 G HA2 -0.249 3.710 3.960 -0.001 0.000 0.216 522 G HA3 -0.249 3.710 3.960 -0.001 0.000 0.216 522 G C 1.635 176.562 174.900 0.045 0.000 1.162 522 G CA 1.063 46.247 45.100 0.140 0.000 0.777 522 G HN 0.633 nan 8.290 nan 0.000 0.539 523 K N -0.792 119.601 120.400 -0.013 0.000 2.026 523 K HA -0.107 4.213 4.320 -0.001 0.000 0.208 523 K C 2.224 178.640 176.600 -0.306 0.000 1.048 523 K CA 1.355 57.551 56.287 -0.151 0.000 0.929 523 K CB -0.260 32.139 32.500 -0.168 0.000 0.713 523 K HN 0.408 nan 8.250 nan 0.000 0.439 524 Y N 0.615 120.720 120.300 -0.326 0.000 2.230 524 Y HA 0.021 4.571 4.550 -0.001 0.000 0.294 524 Y C 2.066 177.702 175.900 -0.440 0.000 1.120 524 Y CA 0.646 58.394 58.100 -0.586 0.000 1.129 524 Y CB -0.288 37.435 38.460 -1.228 0.000 1.040 524 Y HN -0.070 nan 8.280 nan 0.000 0.519 525 L N -1.478 119.574 121.223 -0.285 0.000 2.131 525 L HA -0.179 4.160 4.340 -0.001 0.000 0.210 525 L C 0.685 177.244 176.870 -0.518 0.000 1.092 525 L CA 1.430 56.024 54.840 -0.410 0.000 0.759 525 L CB -0.404 41.139 42.059 -0.861 0.000 0.903 525 L HN 0.179 nan 8.230 nan 0.000 0.435 526 F N -1.634 118.246 119.950 -0.116 0.000 2.791 526 F HA 0.180 4.707 4.527 -0.001 0.000 0.308 526 F C 1.597 177.077 175.800 -0.534 0.000 1.138 526 F CA -0.402 57.326 58.000 -0.452 0.000 1.294 526 F CB -0.844 37.895 39.000 -0.435 0.000 0.975 526 F HN 0.012 nan 8.300 nan 0.000 0.512 527 N N 0.825 119.443 118.700 -0.137 0.000 2.364 527 N HA -0.163 4.577 4.740 -0.001 0.000 0.183 527 N C 1.912 177.398 175.510 -0.039 0.000 1.022 527 N CA 1.286 54.278 53.050 -0.097 0.000 0.883 527 N CB -0.033 38.423 38.487 -0.051 0.000 0.965 527 N HN 0.566 nan 8.380 nan 0.000 0.438 528 W N 0.258 121.609 121.300 0.085 0.000 2.425 528 W HA 0.111 4.771 4.660 -0.000 0.000 0.277 528 W C 1.686 178.265 176.519 0.101 0.000 1.231 528 W CA 0.583 57.985 57.345 0.094 0.000 1.248 528 W CB -0.766 28.762 29.460 0.114 0.000 1.117 528 W HN -0.019 nan 8.180 nan 0.000 0.568 529 A N 2.214 124.627 122.820 -0.678 0.000 1.902 529 A HA -0.026 4.293 4.320 -0.001 0.000 0.217 529 A C 1.547 179.015 177.584 -0.193 0.000 1.181 529 A CA 2.060 53.740 52.037 -0.594 0.000 0.623 529 A CB -1.319 17.164 19.000 -0.862 0.000 0.818 529 A HN 0.172 nan 8.150 nan 0.000 0.443 530 V N -1.673 118.139 119.914 -0.170 0.000 3.051 530 V HA 0.206 4.325 4.120 -0.001 0.000 0.306 530 V C 1.125 177.200 176.094 -0.032 0.000 1.083 530 V CA 0.201 62.444 62.300 -0.095 0.000 1.104 530 V CB 0.898 32.661 31.823 -0.100 0.000 1.027 530 V HN 0.645 nan 8.190 nan 0.000 0.483 531 K N 0.723 121.108 120.400 -0.026 0.000 2.186 531 K HA 0.077 4.396 4.320 -0.001 0.000 0.202 531 K C 0.709 177.301 176.600 -0.014 0.000 1.052 531 K CA 0.966 57.249 56.287 -0.007 0.000 0.965 531 K CB -0.215 32.281 32.500 -0.007 0.000 0.746 531 K HN 0.657 nan 8.250 nan 0.000 0.457 532 T N 2.744 117.282 114.554 -0.027 0.000 3.262 532 T HA 0.253 4.603 4.350 -0.001 0.000 0.374 532 T C -0.838 173.839 174.700 -0.038 0.000 1.504 532 T CA -0.664 61.418 62.100 -0.030 0.000 1.158 532 T CB 0.662 69.511 68.868 -0.033 0.000 1.157 532 T HN 0.049 nan 8.240 nan 0.000 0.644 533 K N 1.748 122.130 120.400 -0.029 0.000 2.455 533 K HA 0.231 4.550 4.320 -0.001 0.000 0.269 533 K C 0.109 176.678 176.600 -0.050 0.000 0.972 533 K CA -0.093 56.173 56.287 -0.034 0.000 0.938 533 K CB 0.122 32.617 32.500 -0.007 0.000 0.931 533 K HN 0.254 nan 8.250 nan 0.000 0.507 534 L N 2.011 123.188 121.223 -0.077 0.000 2.416 534 L HA 0.221 4.561 4.340 -0.001 0.000 0.262 534 L C 1.284 178.107 176.870 -0.078 0.000 1.093 534 L CA -0.203 54.581 54.840 -0.093 0.000 0.801 534 L CB 0.684 42.652 42.059 -0.151 0.000 1.191 534 L HN 0.579 nan 8.230 nan 0.000 0.459 535 K N 0.620 120.980 120.400 -0.067 0.000 2.209 535 K HA -0.029 4.291 4.320 -0.001 0.000 0.204 535 K C 0.061 176.637 176.600 -0.040 0.000 1.048 535 K CA 0.519 56.783 56.287 -0.038 0.000 0.940 535 K CB -0.436 32.049 32.500 -0.025 0.000 0.729 535 K HN 0.207 nan 8.250 nan 0.000 0.451 536 L N 1.728 122.883 121.223 -0.113 0.000 3.546 536 L HA -0.164 4.176 4.340 -0.001 0.000 0.668 536 L C -0.308 176.580 176.870 0.030 0.000 1.139 536 L CA 1.252 56.004 54.840 -0.147 0.000 1.122 536 L CB -2.256 39.766 42.059 -0.061 0.000 1.545 536 L HN 0.604 nan 8.230 nan 0.000 0.851 537 T N 3.470 118.055 114.554 0.051 0.000 2.913 537 T HA 0.625 4.975 4.350 -0.001 0.000 0.287 537 T C -2.218 172.616 174.700 0.222 0.000 1.008 537 T CA -1.605 60.564 62.100 0.115 0.000 1.067 537 T CB 1.132 70.044 68.868 0.074 0.000 0.996 537 T HN 0.266 nan 8.240 nan 0.000 0.513 538 P HA 0.068 nan 4.420 nan 0.000 0.261 538 P C -0.318 177.043 177.300 0.101 0.000 1.173 538 P CA 0.285 63.466 63.100 0.134 0.000 0.760 538 P CB -0.038 31.709 31.700 0.078 0.000 0.783 539 I N 5.806 126.378 120.570 0.004 0.000 2.752 539 I HA -0.062 4.107 4.170 -0.001 0.000 0.289 539 I C -1.042 175.047 176.117 -0.046 0.000 1.197 539 I CA -1.115 60.110 61.300 -0.124 0.000 1.432 539 I CB -0.146 37.655 38.000 -0.331 0.000 1.359 539 I HN 0.400 nan 8.210 nan 0.000 0.571 540 P HA -0.132 nan 4.420 nan 0.000 0.217 540 P C -0.115 177.171 177.300 -0.024 0.000 1.235 540 P CA 0.156 63.250 63.100 -0.010 0.000 0.726 540 P CB 0.141 31.841 31.700 0.000 0.000 0.664 541 A N -0.538 122.269 122.820 -0.022 0.000 2.897 541 A HA 0.428 4.747 4.320 -0.001 0.000 0.287 541 A C 0.308 177.869 177.584 -0.039 0.000 1.748 541 A CA 0.534 52.556 52.037 -0.025 0.000 1.397 541 A CB -1.792 17.198 19.000 -0.017 0.000 1.049 541 A HN 0.345 nan 8.150 nan 0.000 0.592 542 A N 2.081 124.872 122.820 -0.048 0.000 3.216 542 A HA 0.570 4.890 4.320 -0.001 0.000 0.321 542 A C 0.417 177.963 177.584 -0.064 0.000 1.042 542 A CA 0.259 52.259 52.037 -0.062 0.000 0.838 542 A CB -0.170 18.779 19.000 -0.086 0.000 1.136 542 A HN 1.618 nan 8.150 nan 0.000 0.483 543 S N -0.214 115.449 115.700 -0.062 0.000 3.029 543 S HA 0.024 4.494 4.470 -0.001 0.000 0.244 543 S C 0.855 175.411 174.600 -0.073 0.000 0.814 543 S CA 0.185 58.342 58.200 -0.071 0.000 1.148 543 S CB -0.347 62.820 63.200 -0.055 0.000 1.253 543 S HN 0.578 nan 8.310 nan 0.000 0.555 544 Q N 0.786 120.543 119.800 -0.071 0.000 2.259 544 Q HA 0.276 4.615 4.340 -0.001 0.000 0.201 544 Q C 0.414 176.363 176.000 -0.085 0.000 0.938 544 Q CA 0.140 55.904 55.803 -0.064 0.000 0.872 544 Q CB -0.858 27.852 28.738 -0.045 0.000 0.971 544 Q HN 0.516 nan 8.270 nan 0.000 0.494 545 L N 3.583 124.740 121.223 -0.110 0.000 2.543 545 L HA -0.035 4.305 4.340 -0.001 0.000 0.285 545 L C 0.323 177.079 176.870 -0.190 0.000 1.236 545 L CA 0.902 55.653 54.840 -0.149 0.000 0.871 545 L CB 0.035 41.969 42.059 -0.209 0.000 1.121 545 L HN 0.121 nan 8.230 nan 0.000 0.501 546 D N 3.716 124.014 120.400 -0.170 0.000 2.468 546 D HA 0.166 4.805 4.640 -0.001 0.000 0.218 546 D C 0.282 176.413 176.300 -0.282 0.000 1.155 546 D CA -0.057 53.843 54.000 -0.167 0.000 0.924 546 D CB 0.386 41.134 40.800 -0.086 0.000 1.029 546 D HN 0.400 nan 8.370 nan 0.000 0.515 547 L N 2.539 123.511 121.223 -0.419 0.000 2.791 547 L HA 0.051 4.391 4.340 -0.001 0.000 0.239 547 L C 2.183 178.875 176.870 -0.298 0.000 1.203 547 L CA -0.185 54.228 54.840 -0.711 0.000 1.002 547 L CB -0.079 41.420 42.059 -0.933 0.000 1.295 547 L HN 0.232 nan 8.230 nan 0.000 0.504 548 S N -0.023 115.594 115.700 -0.139 0.000 2.368 548 S HA -0.128 4.342 4.470 -0.001 0.000 0.225 548 S C 1.768 176.391 174.600 0.039 0.000 1.030 548 S CA 1.208 59.387 58.200 -0.036 0.000 0.999 548 S CB -0.578 62.605 63.200 -0.030 0.000 0.844 548 S HN 0.439 nan 8.310 nan 0.000 0.459 549 G N -1.191 107.651 108.800 0.070 0.000 3.314 549 G HA2 0.221 4.180 3.960 -0.001 0.000 0.238 549 G HA3 0.221 4.180 3.960 -0.001 0.000 0.238 549 G C 0.541 175.594 174.900 0.256 0.000 1.184 549 G CA -0.405 44.773 45.100 0.130 0.000 0.806 549 G HN 0.441 nan 8.290 nan 0.000 0.536 550 W N 0.550 121.732 121.300 -0.198 0.000 2.388 550 W HA 0.250 4.910 4.660 -0.001 0.000 0.294 550 W C 0.294 176.354 176.519 -0.765 0.000 1.212 550 W CA 0.403 57.386 57.345 -0.604 0.000 1.271 550 W CB -0.129 28.709 29.460 -1.036 0.000 1.126 550 W HN 0.123 nan 8.180 nan 0.000 0.535 551 F N -0.673 119.425 119.950 0.248 0.000 2.523 551 F HA 0.298 4.824 4.527 -0.001 0.000 0.322 551 F C 0.527 176.464 175.800 0.229 0.000 1.361 551 F CA -0.577 57.557 58.000 0.222 0.000 1.151 551 F CB -0.157 38.933 39.000 0.150 0.000 1.391 551 F HN -0.408 nan 8.300 nan 0.000 0.566 552 V N 0.090 120.220 119.914 0.360 0.000 2.911 552 V HA 0.625 4.744 4.120 -0.001 0.000 0.237 552 V C 0.903 177.166 176.094 0.282 0.000 1.156 552 V CA 0.693 63.154 62.300 0.268 0.000 1.180 552 V CB 0.448 32.407 31.823 0.226 0.000 0.932 552 V HN 0.453 nan 8.190 nan 0.000 0.483 553 A N -0.759 122.199 122.820 0.230 0.000 2.602 553 A HA 0.767 5.086 4.320 -0.001 0.000 0.290 553 A C -0.273 177.025 177.584 -0.476 0.000 1.114 553 A CA 0.085 52.129 52.037 0.012 0.000 0.683 553 A CB 0.932 19.822 19.000 -0.183 0.000 1.281 553 A HN 0.404 nan 8.150 nan 0.000 0.416 554 G N -1.357 106.886 108.800 -0.928 0.000 2.400 554 G HA2 0.528 4.488 3.960 -0.001 0.000 0.301 554 G HA3 0.528 4.488 3.960 -0.001 0.000 0.301 554 G C -0.802 173.462 174.900 -1.061 0.000 1.154 554 G CA -0.028 44.163 45.100 -1.516 0.000 0.852 554 G HN 0.598 nan 8.290 nan 0.000 0.511 555 Y N 0.609 120.703 120.300 -0.345 0.000 2.779 555 Y HA 0.290 4.840 4.550 -0.001 0.000 0.251 555 Y C 1.430 177.250 175.900 -0.133 0.000 1.145 555 Y CA -0.817 57.178 58.100 -0.175 0.000 1.201 555 Y CB 0.445 38.825 38.460 -0.133 0.000 1.281 555 Y HN 0.505 nan 8.280 nan 0.000 0.563 556 S N 0.843 116.505 115.700 -0.063 0.000 2.673 556 S HA 0.267 4.737 4.470 -0.001 0.000 0.308 556 S C 1.487 176.103 174.600 0.028 0.000 1.246 556 S CA 1.554 59.749 58.200 -0.009 0.000 1.077 556 S CB -0.157 63.038 63.200 -0.008 0.000 0.814 556 S HN 1.042 nan 8.310 nan 0.000 0.503 557 G N 3.644 112.463 108.800 0.033 0.000 2.184 557 G HA2 -0.245 3.714 3.960 -0.001 0.000 0.264 557 G HA3 -0.245 3.714 3.960 -0.001 0.000 0.264 557 G C 0.883 175.820 174.900 0.062 0.000 0.975 557 G CA 0.446 45.574 45.100 0.047 0.000 0.642 557 G HN 1.340 nan 8.290 nan 0.000 0.536 558 G N -0.038 108.805 108.800 0.072 0.000 2.920 558 G HA2 0.348 4.307 3.960 -0.001 0.000 0.208 558 G HA3 0.348 4.307 3.960 -0.001 0.000 0.208 558 G C 0.535 175.473 174.900 0.062 0.000 1.159 558 G CA 1.139 46.301 45.100 0.104 0.000 0.784 558 G HN 1.425 nan 8.290 nan 0.000 0.535 559 D N -0.733 119.671 120.400 0.007 0.000 2.699 559 D HA -0.165 4.475 4.640 -0.001 0.000 0.239 559 D C -0.148 176.115 176.300 -0.062 0.000 1.136 559 D CA 0.251 54.232 54.000 -0.031 0.000 0.668 559 D CB -1.191 39.606 40.800 -0.006 0.000 1.060 559 D HN 0.093 nan 8.370 nan 0.000 0.429 560 I N 1.336 121.827 120.570 -0.132 0.000 2.412 560 I HA 0.405 4.575 4.170 -0.001 0.000 0.296 560 I C -0.093 175.815 176.117 -0.349 0.000 0.987 560 I CA -0.719 60.411 61.300 -0.284 0.000 1.180 560 I CB 1.220 38.895 38.000 -0.540 0.000 1.340 560 I HN 0.156 nan 8.210 nan 0.000 0.455 561 Y N 5.869 125.894 120.300 -0.460 0.000 2.373 561 Y HA 0.458 5.008 4.550 -0.001 0.000 0.336 561 Y C -0.962 174.716 175.900 -0.370 0.000 0.979 561 Y CA -0.586 57.249 58.100 -0.441 0.000 1.080 561 Y CB 1.255 39.566 38.460 -0.248 0.000 1.190 561 Y HN 0.571 nan 8.280 nan 0.000 0.446 562 H N 3.172 121.554 119.070 -1.146 0.000 2.466 562 H HA 0.484 5.039 4.556 -0.001 0.000 0.338 562 H C -0.548 174.252 175.328 -0.879 0.000 1.091 562 H CA -1.132 54.402 56.048 -0.857 0.000 1.207 562 H CB 1.633 30.949 29.762 -0.743 0.000 1.466 562 H HN 0.587 nan 8.280 nan 0.000 0.493 563 S N 2.971 118.465 115.700 -0.342 0.000 2.537 563 S HA 0.135 4.604 4.470 -0.001 0.000 0.275 563 S C -0.090 174.498 174.600 -0.020 0.000 1.272 563 S CA -0.652 57.440 58.200 -0.180 0.000 1.050 563 S CB 0.995 64.172 63.200 -0.037 0.000 0.961 563 S HN 0.281 nan 8.310 nan 0.000 0.496 564 L N 0.000 121.251 121.223 0.047 0.000 2.949 564 L HA 0.000 4.340 4.340 -0.001 0.000 0.249 564 L CA 0.000 54.904 54.840 0.107 0.000 0.813 564 L CB 0.000 42.155 42.059 0.159 0.000 0.961 564 L HN 0.000 nan 8.230 nan 0.000 0.502