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 2ywe_1_A DATA FIRST_RESID 1 DATA SEQUENCE MEQKNVRNFC IIAHXXHGKS TLADRLLEYT GAXXXXXXXX XXXXXXXXXX DATA SEQUENCE XXXXXVKMQA VRMFYKAKDG NTYKLHLIDT PGHVDFSYEV SRALAACEGA DATA SEQUENCE LLLIDASQGI EAQTVANFWK AVEQDLVIIP VINKIDLPSA DVDRVKKQIE DATA SEQUENCE EVLGLDPEEA ILASAKEGIG IEEILEAIVN RIPPPKGDPQ KPLKALIFDS DATA SEQUENCE YYDPYRGAVA FVRIFDGEVK PGDKIMLMST GKEYEVTEVG AQTPKMTKFD DATA SEQUENCE KLSAGDVGYI AASIKDVRDI RIGDTITHAK NPTKEPVPGF QPAKPMVYAG DATA SEQUENCE IYPAEDTTYE ELRDALEKYA INDAAIVYEP ESSPALGMGF RVGFLGLLHM DATA SEQUENCE EIVQERLERE YGVKIITTAP NVIYRVKKKF TDEVIEVRNP MDFPDNAGLI DATA SEQUENCE EYVEEPFVLV TIITPKEYVG PIIQLCQEKR GIQKNMTYLD PNTVYLEYEM DATA SEQUENCE PLSEIIVDFH DKIKSISRGF ASYDYEFIGY RPSDLIKLTV LINKKPVDAL DATA SEQUENCE SFIVHADRAQ KFARRVAEKL RETIPRQLFE VHIQVAKGGK VIASERIKPL DATA SEQUENCE R 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 M HA 0.000 nan 4.480 nan 0.000 0.227 1 M C 0.000 176.303 176.300 0.005 0.000 1.140 1 M CA 0.000 55.290 55.300 -0.017 0.000 0.988 1 M CB 0.000 32.618 32.600 0.030 0.000 1.302 2 E N 1.869 122.068 120.200 -0.001 0.000 2.280 2 E HA 0.273 4.624 4.350 0.001 0.000 0.264 2 E C 0.048 176.675 176.600 0.045 0.000 1.064 2 E CA -0.587 55.823 56.400 0.017 0.000 0.900 2 E CB 1.104 30.808 29.700 0.007 0.000 1.123 2 E HN 0.752 nan 8.360 nan 0.000 0.418 3 Q N 1.285 121.118 119.800 0.055 0.000 2.291 3 Q HA -0.167 4.173 4.340 0.001 0.000 0.205 3 Q C 1.610 177.663 176.000 0.088 0.000 0.970 3 Q CA 1.323 57.171 55.803 0.075 0.000 0.876 3 Q CB 0.086 28.866 28.738 0.069 0.000 0.935 3 Q HN 0.413 nan 8.270 nan 0.000 0.455 4 K N -1.082 119.364 120.400 0.077 0.000 2.439 4 K HA -0.019 4.302 4.320 0.001 0.000 0.197 4 K C 0.544 177.230 176.600 0.143 0.000 1.041 4 K CA 0.803 57.146 56.287 0.094 0.000 0.970 4 K CB 0.214 32.758 32.500 0.073 0.000 0.773 4 K HN 0.064 nan 8.250 nan 0.000 0.479 5 N N 1.284 120.061 118.700 0.128 0.000 2.238 5 N HA 0.101 4.841 4.740 0.001 0.000 0.222 5 N C -0.924 174.756 175.510 0.284 0.000 1.133 5 N CA -0.057 53.108 53.050 0.193 0.000 0.854 5 N CB 1.105 39.537 38.487 -0.092 0.000 1.041 5 N HN -0.044 nan 8.380 nan 0.000 0.510 6 V N 1.447 121.484 119.914 0.206 0.000 2.532 6 V HA 0.443 4.564 4.120 0.001 0.000 0.295 6 V C 0.146 176.337 176.094 0.162 0.000 1.041 6 V CA -0.645 61.755 62.300 0.166 0.000 0.926 6 V CB 2.087 34.002 31.823 0.153 0.000 0.992 6 V HN 0.015 nan 8.190 nan 0.000 0.457 7 R N 3.067 123.650 120.500 0.138 0.000 2.483 7 R HA 0.445 4.785 4.340 0.001 0.000 0.303 7 R C -1.282 175.150 176.300 0.220 0.000 0.987 7 R CA -0.615 55.567 56.100 0.137 0.000 0.881 7 R CB 1.608 31.947 30.300 0.065 0.000 1.177 7 R HN 0.609 nan 8.270 nan 0.000 0.451 8 N N 4.149 122.967 118.700 0.196 0.000 2.469 8 N HA 0.394 5.134 4.740 0.001 0.000 0.253 8 N C -0.596 175.022 175.510 0.180 0.000 0.970 8 N CA -0.173 52.974 53.050 0.162 0.000 0.940 8 N CB 1.177 39.697 38.487 0.054 0.000 1.128 8 N HN 0.441 nan 8.380 nan 0.000 0.503 9 F N -0.249 119.671 119.950 -0.051 0.000 2.664 9 F HA 0.829 5.356 4.527 0.000 0.000 0.317 9 F C -0.473 175.273 175.800 -0.091 0.000 1.108 9 F CA -1.215 56.742 58.000 -0.072 0.000 0.957 9 F CB 0.999 39.958 39.000 -0.069 0.000 1.365 9 F HN 0.422 nan 8.300 nan 0.000 0.475 10 C N 0.497 119.764 119.300 -0.055 0.000 3.236 10 C HA 0.854 5.314 4.460 0.001 0.000 0.312 10 C C -0.910 174.106 174.990 0.044 0.000 1.374 10 C CA -1.184 57.741 59.018 -0.155 0.000 1.455 10 C CB 1.258 28.910 27.740 -0.147 0.000 1.834 10 C HN 0.937 nan 8.230 nan 0.000 0.460 11 I N 1.728 122.299 120.570 0.001 0.000 2.378 11 I HA 0.478 4.649 4.170 0.001 0.000 0.291 11 I C -0.550 175.578 176.117 0.018 0.000 0.992 11 I CA -0.470 60.859 61.300 0.049 0.000 1.154 11 I CB 1.327 39.355 38.000 0.047 0.000 1.315 11 I HN 0.550 nan 8.210 nan 0.000 0.448 12 I N 6.205 126.792 120.570 0.028 0.000 2.355 12 I HA 0.759 4.930 4.170 0.001 0.000 0.288 12 I C -0.071 176.058 176.117 0.020 0.000 0.999 12 I CA -0.230 61.081 61.300 0.019 0.000 1.163 12 I CB 1.532 39.543 38.000 0.018 0.000 1.316 12 I HN 0.705 nan 8.210 nan 0.000 0.454 13 A N 4.609 127.441 122.820 0.019 0.000 2.590 13 A HA 0.330 4.651 4.320 0.001 0.000 0.294 13 A C -0.954 176.658 177.584 0.047 0.000 1.046 13 A CA -0.635 51.407 52.037 0.008 0.000 0.684 13 A CB 0.837 19.861 19.000 0.040 0.000 1.279 13 A HN 0.828 nan 8.150 nan 0.000 0.415 18 G N 2.057 110.907 108.800 0.084 0.000 2.248 18 G HA2 -0.291 3.669 3.960 0.001 0.000 0.252 18 G HA3 -0.291 3.669 3.960 0.001 0.000 0.252 18 G C 1.045 175.966 174.900 0.034 0.000 1.085 18 G CA 0.466 45.588 45.100 0.037 0.000 0.845 18 G HN 0.435 nan 8.290 nan 0.000 0.494 19 K N 0.865 121.284 120.400 0.032 0.000 2.001 19 K HA -0.103 4.218 4.320 0.001 0.000 0.208 19 K C 2.846 179.452 176.600 0.010 0.000 1.048 19 K CA 2.209 58.510 56.287 0.024 0.000 0.932 19 K CB -0.486 32.027 32.500 0.022 0.000 0.715 19 K HN 0.782 nan 8.250 nan 0.000 0.437 20 S N 0.031 115.731 115.700 -0.000 0.000 2.368 20 S HA -0.127 4.343 4.470 0.001 0.000 0.225 20 S C 2.100 176.698 174.600 -0.003 0.000 1.030 20 S CA 1.897 60.092 58.200 -0.009 0.000 0.999 20 S CB -0.959 62.233 63.200 -0.015 0.000 0.844 20 S HN 0.312 nan 8.310 nan 0.000 0.459 21 T N 2.977 117.531 114.554 0.001 0.000 2.652 21 T HA -0.050 4.301 4.350 0.001 0.000 0.267 21 T C 1.695 176.400 174.700 0.009 0.000 1.039 21 T CA 1.531 63.633 62.100 0.004 0.000 1.153 21 T CB -0.724 68.146 68.868 0.003 0.000 0.863 21 T HN 0.290 nan 8.240 nan 0.000 0.428 22 L N 1.422 122.652 121.223 0.011 0.000 2.042 22 L HA -0.034 4.306 4.340 0.001 0.000 0.210 22 L C 2.616 179.499 176.870 0.022 0.000 1.076 22 L CA 1.975 56.823 54.840 0.013 0.000 0.749 22 L CB -1.061 41.009 42.059 0.017 0.000 0.893 22 L HN 0.253 nan 8.230 nan 0.000 0.432 23 A N -0.974 121.860 122.820 0.023 0.000 1.940 23 A HA -0.229 4.091 4.320 0.001 0.000 0.219 23 A C 1.988 179.587 177.584 0.025 0.000 1.176 23 A CA 1.937 53.988 52.037 0.025 0.000 0.631 23 A CB -0.779 18.218 19.000 -0.005 0.000 0.814 23 A HN 0.540 nan 8.150 nan 0.000 0.446 24 D N -0.463 119.947 120.400 0.018 0.000 2.097 24 D HA -0.106 4.534 4.640 0.001 0.000 0.197 24 D C 2.213 178.537 176.300 0.040 0.000 0.984 24 D CA 1.173 55.187 54.000 0.023 0.000 0.826 24 D CB -0.372 40.437 40.800 0.014 0.000 0.973 24 D HN 0.457 nan 8.370 nan 0.000 0.460 25 R N -0.055 120.467 120.500 0.037 0.000 2.096 25 R HA -0.096 4.244 4.340 0.001 0.000 0.235 25 R C 2.161 178.505 176.300 0.072 0.000 1.127 25 R CA 0.536 56.667 56.100 0.051 0.000 0.968 25 R CB -0.274 30.040 30.300 0.024 0.000 0.861 25 R HN 0.122 nan 8.270 nan 0.000 0.440 26 L N 0.590 121.841 121.223 0.046 0.000 2.046 26 L HA -0.135 4.206 4.340 0.001 0.000 0.208 26 L C 2.179 179.111 176.870 0.104 0.000 1.077 26 L CA 1.587 56.456 54.840 0.048 0.000 0.747 26 L CB -0.556 41.539 42.059 0.060 0.000 0.896 26 L HN 0.167 nan 8.230 nan 0.000 0.432 27 L N -1.149 120.126 121.223 0.088 0.000 2.027 27 L HA -0.209 4.132 4.340 0.001 0.000 0.206 27 L C 2.488 179.420 176.870 0.104 0.000 1.074 27 L CA 1.191 56.084 54.840 0.088 0.000 0.745 27 L CB -0.467 41.626 42.059 0.056 0.000 0.898 27 L HN 0.330 nan 8.230 nan 0.000 0.433 28 E N -0.674 119.584 120.200 0.096 0.000 2.058 28 E HA -0.306 4.044 4.350 0.001 0.000 0.194 28 E C 2.063 178.729 176.600 0.110 0.000 0.997 28 E CA 1.812 58.264 56.400 0.087 0.000 0.801 28 E CB -0.334 29.412 29.700 0.076 0.000 0.746 28 E HN 0.416 nan 8.360 nan 0.000 0.450 29 Y N 1.878 122.198 120.300 0.034 0.000 2.165 29 Y HA -0.288 4.263 4.550 0.000 0.000 0.286 29 Y C 2.760 178.708 175.900 0.080 0.000 1.155 29 Y CA 2.287 60.415 58.100 0.046 0.000 1.164 29 Y CB -0.320 38.153 38.460 0.022 0.000 0.978 29 Y HN 0.148 nan 8.280 nan 0.000 0.513 30 T N -3.000 111.719 114.554 0.276 0.000 2.706 30 T HA 0.004 4.354 4.350 0.001 0.000 0.255 30 T C 2.135 176.924 174.700 0.148 0.000 1.048 30 T CA 1.016 63.262 62.100 0.243 0.000 1.153 30 T CB -1.329 67.677 68.868 0.231 0.000 0.865 30 T HN 0.346 nan 8.240 nan 0.000 0.414 31 G N 2.265 111.137 108.800 0.120 0.000 2.496 31 G HA2 0.366 4.326 3.960 0.001 0.000 0.214 31 G HA3 0.366 4.326 3.960 0.001 0.000 0.214 31 G C 0.961 175.894 174.900 0.055 0.000 1.234 31 G CA 0.444 45.600 45.100 0.094 0.000 0.807 31 G HN 0.883 nan 8.290 nan 0.000 0.543 57 K N 4.153 124.390 120.400 -0.271 0.000 2.494 57 K HA 0.301 4.621 4.320 0.001 0.000 0.273 57 K C 0.149 176.623 176.600 -0.211 0.000 0.970 57 K CA -0.218 55.953 56.287 -0.193 0.000 0.963 57 K CB 0.879 33.282 32.500 -0.163 0.000 0.913 57 K HN 0.732 nan 8.250 nan 0.000 0.502 58 M N 2.650 122.146 119.600 -0.173 0.000 2.251 58 M HA -0.003 4.477 4.480 0.001 0.000 0.346 58 M C -0.922 175.222 176.300 -0.261 0.000 1.499 58 M CA 0.444 55.638 55.300 -0.177 0.000 1.128 58 M CB 0.410 32.938 32.600 -0.120 0.000 1.809 58 M HN 0.835 nan 8.290 nan 0.000 0.464 59 Q N 4.123 123.706 119.800 -0.361 0.000 2.527 59 Q HA 0.532 4.872 4.340 0.001 0.000 0.280 59 Q C -0.971 174.764 176.000 -0.442 0.000 0.977 59 Q CA 0.351 55.834 55.803 -0.533 0.000 0.837 59 Q CB 1.841 29.922 28.738 -1.095 0.000 1.454 59 Q HN 0.938 nan 8.270 nan 0.000 0.387 60 A N 0.908 123.583 122.820 -0.241 0.000 2.466 60 A HA -0.073 4.247 4.320 0.001 0.000 0.295 60 A C -0.562 177.037 177.584 0.025 0.000 1.465 60 A CA 0.925 52.955 52.037 -0.012 0.000 0.744 60 A CB -2.098 16.989 19.000 0.145 0.000 1.098 60 A HN 0.636 nan 8.150 nan 0.000 0.402 61 V N 1.941 121.840 119.914 -0.025 0.000 2.498 61 V HA 0.428 4.548 4.120 0.001 0.000 0.279 61 V C 0.953 177.084 176.094 0.062 0.000 1.048 61 V CA -0.034 62.273 62.300 0.012 0.000 0.967 61 V CB 1.430 33.229 31.823 -0.040 0.000 0.988 61 V HN 0.701 nan 8.190 nan 0.000 0.473 62 R N 5.213 125.768 120.500 0.093 0.000 2.294 62 R HA 0.734 5.075 4.340 0.001 0.000 0.319 62 R C -0.954 175.248 176.300 -0.163 0.000 0.984 62 R CA -0.465 55.629 56.100 -0.009 0.000 0.861 62 R CB 1.020 31.373 30.300 0.090 0.000 1.104 62 R HN 0.746 nan 8.270 nan 0.000 0.451 63 M N 3.615 123.049 119.600 -0.277 0.000 2.572 63 M HA 0.452 4.932 4.480 0.001 0.000 0.299 63 M C -1.375 174.717 176.300 -0.348 0.000 1.205 63 M CA -0.759 54.425 55.300 -0.195 0.000 0.876 63 M CB 2.224 34.830 32.600 0.011 0.000 1.728 63 M HN 0.367 nan 8.290 nan 0.000 0.458 64 F N 1.251 121.271 119.950 0.117 0.000 2.495 64 F HA 0.566 5.093 4.527 0.001 0.000 0.327 64 F C -0.941 174.996 175.800 0.228 0.000 1.103 64 F CA -0.745 57.329 58.000 0.124 0.000 0.949 64 F CB 1.356 40.394 39.000 0.062 0.000 1.142 64 F HN 0.363 nan 8.300 nan 0.000 0.457 65 Y N 3.475 123.952 120.300 0.296 0.000 2.361 65 Y HA 0.389 4.939 4.550 0.001 0.000 0.328 65 Y C -1.158 174.898 175.900 0.260 0.000 1.044 65 Y CA -1.652 56.591 58.100 0.237 0.000 1.085 65 Y CB 1.384 39.954 38.460 0.183 0.000 1.194 65 Y HN 0.602 nan 8.280 nan 0.000 0.438 66 K N 5.059 125.231 120.400 -0.380 0.000 2.267 66 K HA 0.812 5.133 4.320 0.001 0.000 0.282 66 K C -0.206 175.959 176.600 -0.726 0.000 1.078 66 K CA -0.493 55.586 56.287 -0.348 0.000 0.903 66 K CB 1.352 33.734 32.500 -0.195 0.000 1.111 66 K HN 0.578 nan 8.250 nan 0.000 0.475 67 A N 3.198 125.795 122.820 -0.371 0.000 2.280 67 A HA 0.138 4.458 4.320 0.001 0.000 0.268 67 A C 0.837 178.379 177.584 -0.069 0.000 1.111 67 A CA -0.568 51.335 52.037 -0.223 0.000 0.814 67 A CB 0.311 19.405 19.000 0.156 0.000 1.093 67 A HN 0.765 nan 8.150 nan 0.000 0.498 68 K N 0.564 120.977 120.400 0.020 0.000 2.209 68 K HA -0.138 4.182 4.320 0.001 0.000 0.204 68 K C 0.996 177.614 176.600 0.028 0.000 1.048 68 K CA 1.591 57.894 56.287 0.028 0.000 0.940 68 K CB -0.393 32.136 32.500 0.047 0.000 0.729 68 K HN 0.858 nan 8.250 nan 0.000 0.451 69 D N -0.513 119.922 120.400 0.058 0.000 2.378 69 D HA -0.042 4.598 4.640 0.001 0.000 0.227 69 D C 1.261 177.583 176.300 0.036 0.000 1.012 69 D CA 1.008 55.044 54.000 0.060 0.000 0.905 69 D CB -0.093 40.771 40.800 0.107 0.000 0.895 69 D HN 0.285 nan 8.370 nan 0.000 0.532 70 G N -0.146 108.661 108.800 0.012 0.000 2.299 70 G HA2 -0.287 3.673 3.960 0.001 0.000 0.237 70 G HA3 -0.287 3.673 3.960 0.001 0.000 0.237 70 G C 0.266 175.131 174.900 -0.057 0.000 1.027 70 G CA 0.010 45.095 45.100 -0.026 0.000 0.619 70 G HN 0.437 nan 8.290 nan 0.000 0.513 71 N N 1.349 120.019 118.700 -0.050 0.000 2.525 71 N HA 0.426 5.166 4.740 0.001 0.000 0.271 71 N C -0.163 175.180 175.510 -0.278 0.000 1.194 71 N CA 0.630 53.559 53.050 -0.202 0.000 0.964 71 N CB 0.862 39.151 38.487 -0.330 0.000 1.126 71 N HN 0.229 nan 8.380 nan 0.000 0.452 72 T N 1.989 116.342 114.554 -0.336 0.000 2.799 72 T HA 0.381 4.731 4.350 0.001 0.000 0.286 72 T C -0.528 173.988 174.700 -0.306 0.000 0.973 72 T CA -0.165 61.813 62.100 -0.204 0.000 1.035 72 T CB 0.144 68.934 68.868 -0.130 0.000 0.932 72 T HN 0.210 nan 8.240 nan 0.000 0.469 73 Y N 1.346 121.721 120.300 0.125 0.000 2.468 73 Y HA 0.448 4.998 4.550 0.001 0.000 0.342 73 Y C 0.523 176.552 175.900 0.214 0.000 1.021 73 Y CA -1.077 57.118 58.100 0.160 0.000 1.079 73 Y CB 1.534 40.087 38.460 0.155 0.000 1.226 73 Y HN 0.376 nan 8.280 nan 0.000 0.460 74 K N 3.593 124.149 120.400 0.259 0.000 2.268 74 K HA 0.403 4.723 4.320 0.001 0.000 0.276 74 K C -1.777 174.716 176.600 -0.177 0.000 1.080 74 K CA -0.509 55.758 56.287 -0.034 0.000 0.910 74 K CB 0.214 32.690 32.500 -0.040 0.000 1.163 74 K HN 0.538 nan 8.250 nan 0.000 0.465 75 L N 4.506 125.609 121.223 -0.199 0.000 2.295 75 L HA 0.317 4.658 4.340 0.001 0.000 0.285 75 L C -0.579 176.160 176.870 -0.220 0.000 1.035 75 L CA -0.369 54.428 54.840 -0.071 0.000 0.806 75 L CB 1.240 43.387 42.059 0.148 0.000 1.214 75 L HN 0.586 nan 8.230 nan 0.000 0.426 76 H N 3.589 122.693 119.070 0.056 0.000 2.511 76 H HA 0.460 5.016 4.556 0.001 0.000 0.328 76 H C -0.607 174.481 175.328 -0.400 0.000 1.044 76 H CA -0.715 55.269 56.048 -0.106 0.000 1.212 76 H CB 1.728 31.437 29.762 -0.088 0.000 1.428 76 H HN 0.328 nan 8.280 nan 0.000 0.483 77 L N 5.720 126.720 121.223 -0.372 0.000 2.272 77 L HA 0.452 4.792 4.340 0.001 0.000 0.289 77 L C -0.949 175.650 176.870 -0.451 0.000 1.032 77 L CA -0.329 54.044 54.840 -0.778 0.000 0.810 77 L CB 0.218 41.952 42.059 -0.542 0.000 1.205 77 L HN 0.735 nan 8.230 nan 0.000 0.422 78 I N 4.379 124.647 120.570 -0.502 0.000 2.339 78 I HA 0.175 4.345 4.170 0.001 0.000 0.290 78 I C -0.284 175.671 176.117 -0.269 0.000 0.994 78 I CA -0.551 60.534 61.300 -0.359 0.000 1.191 78 I CB 1.925 39.608 38.000 -0.527 0.000 1.343 78 I HN 0.598 nan 8.210 nan 0.000 0.458 79 D N 4.888 125.182 120.400 -0.177 0.000 2.304 79 D HA 0.340 4.980 4.640 0.001 0.000 0.250 79 D C -0.345 175.904 176.300 -0.085 0.000 1.107 79 D CA 0.093 54.013 54.000 -0.132 0.000 0.885 79 D CB 1.031 41.750 40.800 -0.136 0.000 1.192 79 D HN 0.583 nan 8.370 nan 0.000 0.436 80 T N 0.980 115.494 114.554 -0.067 0.000 2.907 80 T HA 0.688 5.038 4.350 0.001 0.000 0.292 80 T C -2.640 172.051 174.700 -0.015 0.000 1.043 80 T CA -1.653 60.426 62.100 -0.034 0.000 1.003 80 T CB 1.849 70.697 68.868 -0.032 0.000 1.084 80 T HN 0.209 nan 8.240 nan 0.000 0.483 81 P HA 0.401 nan 4.420 nan 0.000 0.276 81 P C 0.524 177.890 177.300 0.110 0.000 1.261 81 P CA -0.357 62.763 63.100 0.034 0.000 0.800 81 P CB 1.149 32.847 31.700 -0.004 0.000 1.066 82 G N -1.278 107.627 108.800 0.174 0.000 2.742 82 G HA2 -0.028 3.933 3.960 0.001 0.000 0.204 82 G HA3 -0.028 3.933 3.960 0.001 0.000 0.204 82 G C 0.626 175.613 174.900 0.144 0.000 1.126 82 G CA 0.271 45.459 45.100 0.147 0.000 0.829 82 G HN 0.625 nan 8.290 nan 0.000 0.574 83 H N 0.949 120.109 119.070 0.150 0.000 2.948 83 H HA 0.012 4.568 4.556 0.000 0.000 0.351 83 H C 1.656 176.944 175.328 -0.067 0.000 1.079 83 H CA 0.585 56.650 56.048 0.030 0.000 1.407 83 H CB 1.719 31.515 29.762 0.057 0.000 1.373 83 H HN -0.010 nan 8.280 nan 0.000 0.605 84 V N 4.337 123.990 119.914 -0.434 0.000 2.568 84 V HA -0.239 3.881 4.120 0.001 0.000 0.253 84 V C 1.294 177.280 176.094 -0.179 0.000 1.072 84 V CA 2.362 64.457 62.300 -0.343 0.000 1.084 84 V CB -0.296 31.112 31.823 -0.691 0.000 0.676 84 V HN 0.716 nan 8.190 nan 0.000 0.469 85 D N 0.339 120.707 120.400 -0.054 0.000 2.182 85 D HA -0.140 4.500 4.640 0.001 0.000 0.201 85 D C 1.126 177.129 176.300 -0.496 0.000 0.986 85 D CA 1.605 55.388 54.000 -0.361 0.000 0.847 85 D CB -0.265 40.077 40.800 -0.764 0.000 0.942 85 D HN 0.653 nan 8.370 nan 0.000 0.467 86 F N -0.274 119.733 119.950 0.095 0.000 2.750 86 F HA 0.300 4.827 4.527 0.000 0.000 0.297 86 F C 1.953 177.794 175.800 0.068 0.000 1.138 86 F CA -0.467 57.572 58.000 0.065 0.000 1.346 86 F CB -0.199 38.828 39.000 0.046 0.000 0.965 86 F HN -0.235 nan 8.300 nan 0.000 0.514 87 S N 0.383 116.166 115.700 0.138 0.000 2.365 87 S HA -0.328 4.142 4.470 0.001 0.000 0.225 87 S C 2.228 176.923 174.600 0.158 0.000 1.039 87 S CA 1.911 60.180 58.200 0.115 0.000 1.033 87 S CB -0.472 62.770 63.200 0.070 0.000 0.887 87 S HN 0.564 nan 8.310 nan 0.000 0.447 88 Y N 1.995 122.343 120.300 0.080 0.000 2.128 88 Y HA -0.131 4.419 4.550 0.000 0.000 0.284 88 Y C 2.035 177.995 175.900 0.100 0.000 1.154 88 Y CA 2.363 60.508 58.100 0.076 0.000 1.149 88 Y CB -0.717 37.773 38.460 0.051 0.000 0.976 88 Y HN 0.336 nan 8.280 nan 0.000 0.505 89 E N -0.435 119.786 120.200 0.034 0.000 2.110 89 E HA -0.145 4.205 4.350 0.001 0.000 0.193 89 E C 2.296 178.879 176.600 -0.028 0.000 0.988 89 E CA 1.479 57.857 56.400 -0.037 0.000 0.804 89 E CB -0.420 29.350 29.700 0.116 0.000 0.745 89 E HN 0.361 nan 8.360 nan 0.000 0.458 90 V N 0.406 120.339 119.914 0.032 0.000 2.343 90 V HA -0.262 3.858 4.120 0.001 0.000 0.247 90 V C 2.149 178.229 176.094 -0.023 0.000 1.051 90 V CA 1.948 64.261 62.300 0.021 0.000 1.036 90 V CB -0.486 31.368 31.823 0.051 0.000 0.654 90 V HN 0.238 nan 8.190 nan 0.000 0.451 91 S N -0.572 115.104 115.700 -0.040 0.000 2.382 91 S HA -0.158 4.312 4.470 0.001 0.000 0.228 91 S C 2.144 176.695 174.600 -0.081 0.000 1.027 91 S CA 1.084 59.256 58.200 -0.046 0.000 0.991 91 S CB -0.272 62.918 63.200 -0.017 0.000 0.823 91 S HN 0.422 nan 8.310 nan 0.000 0.469 92 R N 1.553 121.949 120.500 -0.173 0.000 2.075 92 R HA 0.128 4.468 4.340 0.001 0.000 0.232 92 R C 2.441 178.738 176.300 -0.004 0.000 1.126 92 R CA 1.282 57.319 56.100 -0.106 0.000 0.963 92 R CB -1.310 28.872 30.300 -0.195 0.000 0.858 92 R HN 0.447 nan 8.270 nan 0.000 0.435 93 A N 1.000 123.806 122.820 -0.023 0.000 1.902 93 A HA -0.118 4.203 4.320 0.001 0.000 0.217 93 A C 2.147 179.621 177.584 -0.183 0.000 1.181 93 A CA 1.049 53.013 52.037 -0.122 0.000 0.623 93 A CB -0.406 18.549 19.000 -0.075 0.000 0.818 93 A HN 0.106 nan 8.150 nan 0.000 0.443 94 L N -0.354 120.812 121.223 -0.095 0.000 2.083 94 L HA -0.096 4.244 4.340 0.001 0.000 0.209 94 L C 2.877 179.722 176.870 -0.041 0.000 1.083 94 L CA 1.796 56.593 54.840 -0.071 0.000 0.752 94 L CB -1.013 41.022 42.059 -0.039 0.000 0.899 94 L HN 0.399 nan 8.230 nan 0.000 0.433 95 A N -1.130 121.687 122.820 -0.005 0.000 2.172 95 A HA 0.016 4.336 4.320 0.001 0.000 0.216 95 A C 2.276 179.952 177.584 0.153 0.000 1.154 95 A CA 1.319 53.399 52.037 0.071 0.000 0.701 95 A CB -0.609 18.443 19.000 0.087 0.000 0.789 95 A HN 0.360 nan 8.150 nan 0.000 0.465 96 A N -1.761 121.056 122.820 -0.004 0.000 2.238 96 A HA 0.325 4.645 4.320 0.001 0.000 0.210 96 A C 0.914 178.392 177.584 -0.176 0.000 1.179 96 A CA 0.559 52.524 52.037 -0.120 0.000 0.827 96 A CB -0.471 18.255 19.000 -0.456 0.000 0.856 96 A HN 0.503 nan 8.150 nan 0.000 0.488 97 C N -1.938 117.296 119.300 -0.110 0.000 2.423 97 C HA 0.644 5.105 4.460 0.001 0.000 0.378 97 C C 1.228 176.227 174.990 0.016 0.000 1.244 97 C CA -0.349 58.627 59.018 -0.071 0.000 1.978 97 C CB 1.439 29.128 27.740 -0.084 0.000 2.252 97 C HN 0.570 nan 8.230 nan 0.000 0.526 98 E N -0.316 119.907 120.200 0.038 0.000 2.447 98 E HA 0.331 4.681 4.350 0.001 0.000 0.204 98 E C 0.633 177.256 176.600 0.038 0.000 0.977 98 E CA 0.334 56.765 56.400 0.051 0.000 0.950 98 E CB 0.728 30.466 29.700 0.063 0.000 0.975 98 E HN 0.883 nan 8.360 nan 0.000 0.496 99 G N -0.649 108.182 108.800 0.051 0.000 2.682 99 G HA2 0.741 4.701 3.960 0.001 0.000 0.290 99 G HA3 0.741 4.701 3.960 0.001 0.000 0.290 99 G C -1.566 173.377 174.900 0.072 0.000 1.425 99 G CA -0.242 44.885 45.100 0.045 0.000 0.807 99 G HN 0.100 nan 8.290 nan 0.000 0.482 100 A N -0.233 122.617 122.820 0.050 0.000 2.520 100 A HA 0.737 5.057 4.320 0.001 0.000 0.298 100 A C -1.064 176.551 177.584 0.052 0.000 1.051 100 A CA -0.563 51.514 52.037 0.066 0.000 0.690 100 A CB 1.297 20.309 19.000 0.021 0.000 1.281 100 A HN 0.758 nan 8.150 nan 0.000 0.402 101 L N 2.322 123.594 121.223 0.081 0.000 2.255 101 L HA 0.367 4.707 4.340 0.001 0.000 0.289 101 L C -0.620 176.273 176.870 0.039 0.000 1.046 101 L CA -0.644 54.219 54.840 0.038 0.000 0.816 101 L CB 1.127 43.216 42.059 0.050 0.000 1.197 101 L HN 0.647 nan 8.230 nan 0.000 0.427 102 L N 5.995 127.236 121.223 0.029 0.000 2.282 102 L HA 0.356 4.696 4.340 0.001 0.000 0.287 102 L C -0.255 176.632 176.870 0.029 0.000 1.075 102 L CA 0.053 54.915 54.840 0.036 0.000 0.839 102 L CB 0.463 42.554 42.059 0.053 0.000 1.219 102 L HN 0.406 nan 8.230 nan 0.000 0.434 103 L N 6.632 127.878 121.223 0.039 0.000 2.319 103 L HA 0.401 4.742 4.340 0.001 0.000 0.280 103 L C -0.338 176.596 176.870 0.107 0.000 1.099 103 L CA -0.107 54.772 54.840 0.064 0.000 0.828 103 L CB 0.579 42.686 42.059 0.079 0.000 1.150 103 L HN 0.542 nan 8.230 nan 0.000 0.442 104 I N 1.965 122.616 120.570 0.134 0.000 2.466 104 I HA 0.195 4.365 4.170 0.001 0.000 0.289 104 I C -0.402 175.831 176.117 0.193 0.000 1.026 104 I CA -0.682 60.752 61.300 0.224 0.000 1.078 104 I CB 2.406 40.463 38.000 0.095 0.000 1.249 104 I HN 0.516 nan 8.210 nan 0.000 0.429 105 D N 4.090 124.616 120.400 0.210 0.000 2.389 105 D HA 0.267 4.907 4.640 0.001 0.000 0.247 105 D C 1.081 177.337 176.300 -0.074 0.000 1.128 105 D CA 0.124 54.004 54.000 -0.200 0.000 0.884 105 D CB 1.725 42.040 40.800 -0.809 0.000 1.194 105 D HN 0.647 nan 8.370 nan 0.000 0.441 106 A N 2.765 125.548 122.820 -0.061 0.000 2.019 106 A HA -0.117 4.203 4.320 0.001 0.000 0.219 106 A C 2.041 179.608 177.584 -0.028 0.000 1.164 106 A CA 1.469 53.487 52.037 -0.032 0.000 0.644 106 A CB -0.206 18.777 19.000 -0.029 0.000 0.805 106 A HN 0.535 nan 8.150 nan 0.000 0.449 107 S N -0.747 114.927 115.700 -0.043 0.000 2.384 107 S HA -0.063 4.408 4.470 0.001 0.000 0.217 107 S C 2.067 176.670 174.600 0.005 0.000 1.041 107 S CA 0.706 58.895 58.200 -0.018 0.000 0.948 107 S CB -0.299 62.893 63.200 -0.012 0.000 0.872 107 S HN 0.582 nan 8.310 nan 0.000 0.512 108 Q N 0.854 120.655 119.800 0.001 0.000 2.124 108 Q HA 0.104 4.444 4.340 0.001 0.000 0.202 108 Q C 1.507 177.567 176.000 0.100 0.000 0.977 108 Q CA 1.124 56.975 55.803 0.079 0.000 0.850 108 Q CB -0.789 28.013 28.738 0.108 0.000 0.901 108 Q HN 0.573 nan 8.270 nan 0.000 0.429 109 G N 0.735 109.585 108.800 0.083 0.000 2.593 109 G HA2 -0.283 3.677 3.960 0.001 0.000 0.237 109 G HA3 -0.283 3.677 3.960 0.001 0.000 0.237 109 G C -0.210 174.772 174.900 0.137 0.000 1.312 109 G CA -0.265 44.884 45.100 0.083 0.000 0.896 109 G HN 0.244 nan 8.290 nan 0.000 0.574 110 I N 1.716 122.334 120.570 0.080 0.000 2.588 110 I HA 0.273 4.444 4.170 0.001 0.000 0.283 110 I C 0.937 177.109 176.117 0.093 0.000 1.119 110 I CA 0.438 61.775 61.300 0.062 0.000 1.419 110 I CB 0.642 38.639 38.000 -0.004 0.000 1.394 110 I HN 0.515 nan 8.210 nan 0.000 0.562 111 E N 3.374 123.616 120.200 0.071 0.000 2.316 111 E HA 0.466 4.817 4.350 0.001 0.000 0.258 111 E C 0.552 177.186 176.600 0.057 0.000 0.952 111 E CA -0.727 55.715 56.400 0.070 0.000 0.818 111 E CB 1.498 31.218 29.700 0.033 0.000 1.260 111 E HN 0.662 nan 8.360 nan 0.000 0.416 112 A N 0.691 123.552 122.820 0.067 0.000 1.908 112 A HA -0.268 4.053 4.320 0.001 0.000 0.218 112 A C 1.916 179.523 177.584 0.038 0.000 1.181 112 A CA 1.755 53.850 52.037 0.097 0.000 0.627 112 A CB -0.511 18.547 19.000 0.096 0.000 0.818 112 A HN 0.517 nan 8.150 nan 0.000 0.445 113 Q N -0.340 119.419 119.800 -0.067 0.000 2.084 113 Q HA -0.084 4.256 4.340 0.001 0.000 0.202 113 Q C 2.081 178.059 176.000 -0.036 0.000 0.978 113 Q CA 2.056 57.798 55.803 -0.101 0.000 0.844 113 Q CB -1.195 27.415 28.738 -0.214 0.000 0.898 113 Q HN 0.637 nan 8.270 nan 0.000 0.426 114 T N 0.295 114.823 114.554 -0.044 0.000 2.665 114 T HA -0.154 4.197 4.350 0.001 0.000 0.268 114 T C 1.928 176.645 174.700 0.029 0.000 1.035 114 T CA 1.590 63.674 62.100 -0.026 0.000 1.151 114 T CB -0.452 68.391 68.868 -0.042 0.000 0.862 114 T HN 0.068 nan 8.240 nan 0.000 0.438 115 V N 1.556 121.505 119.914 0.058 0.000 2.307 115 V HA -0.139 3.981 4.120 0.001 0.000 0.245 115 V C 2.884 179.136 176.094 0.263 0.000 1.045 115 V CA 1.623 63.993 62.300 0.118 0.000 1.024 115 V CB -1.260 30.677 31.823 0.191 0.000 0.651 115 V HN 0.541 nan 8.190 nan 0.000 0.449 116 A N 0.595 123.557 122.820 0.236 0.000 1.865 116 A HA -0.254 4.066 4.320 0.001 0.000 0.217 116 A C 2.077 179.777 177.584 0.194 0.000 1.191 116 A CA 2.180 54.364 52.037 0.245 0.000 0.623 116 A CB -0.741 18.335 19.000 0.126 0.000 0.826 116 A HN 0.594 nan 8.150 nan 0.000 0.444 117 N N -1.055 117.711 118.700 0.110 0.000 2.166 117 N HA -0.142 4.598 4.740 0.001 0.000 0.186 117 N C 1.460 177.009 175.510 0.065 0.000 1.019 117 N CA 1.479 54.572 53.050 0.072 0.000 0.856 117 N CB -0.602 37.907 38.487 0.037 0.000 0.993 117 N HN 0.549 nan 8.380 nan 0.000 0.426 118 F N 0.609 120.500 119.950 -0.098 0.000 2.043 118 F HA -0.195 4.333 4.527 0.001 0.000 0.297 118 F C 1.996 177.662 175.800 -0.223 0.000 1.121 118 F CA 1.583 59.441 58.000 -0.237 0.000 1.199 118 F CB -0.784 37.954 39.000 -0.437 0.000 0.968 118 F HN 0.023 nan 8.300 nan 0.000 0.478 119 W N 0.909 122.186 121.300 -0.038 0.000 2.350 119 W HA -0.157 4.504 4.660 0.000 0.000 0.289 119 W C 2.432 178.869 176.519 -0.136 0.000 1.215 119 W CA 1.248 58.511 57.345 -0.136 0.000 1.236 119 W CB -0.309 29.179 29.460 0.047 0.000 1.130 119 W HN -0.031 nan 8.180 nan 0.000 0.541 120 K N -0.101 120.375 120.400 0.128 0.000 2.097 120 K HA -0.071 4.249 4.320 0.001 0.000 0.205 120 K C 2.272 178.863 176.600 -0.015 0.000 1.050 120 K CA 1.249 57.576 56.287 0.068 0.000 0.938 120 K CB -0.484 32.054 32.500 0.062 0.000 0.718 120 K HN 0.099 nan 8.250 nan 0.000 0.442 121 A N 1.073 123.835 122.820 -0.097 0.000 1.873 121 A HA -0.113 4.207 4.320 0.001 0.000 0.215 121 A C 2.373 179.855 177.584 -0.170 0.000 1.186 121 A CA 1.324 53.281 52.037 -0.134 0.000 0.616 121 A CB -0.702 18.194 19.000 -0.172 0.000 0.823 121 A HN 0.053 nan 8.150 nan 0.000 0.442 122 V N 0.205 119.939 119.914 -0.300 0.000 2.332 122 V HA -0.299 3.822 4.120 0.001 0.000 0.248 122 V C 2.490 178.555 176.094 -0.048 0.000 1.055 122 V CA 2.335 64.495 62.300 -0.233 0.000 1.038 122 V CB -0.798 30.852 31.823 -0.288 0.000 0.651 122 V HN 0.758 nan 8.190 nan 0.000 0.450 123 E N -0.225 119.980 120.200 0.009 0.000 2.209 123 E HA -0.231 4.119 4.350 0.001 0.000 0.196 123 E C 1.578 178.187 176.600 0.016 0.000 0.993 123 E CA 0.957 57.380 56.400 0.038 0.000 0.819 123 E CB 0.085 29.822 29.700 0.060 0.000 0.745 123 E HN 0.562 nan 8.360 nan 0.000 0.477 124 Q N 0.542 120.340 119.800 -0.004 0.000 2.201 124 Q HA 0.035 4.375 4.340 0.001 0.000 0.217 124 Q C -0.664 175.333 176.000 -0.004 0.000 0.860 124 Q CA 0.059 55.863 55.803 0.001 0.000 0.984 124 Q CB 0.665 29.404 28.738 0.001 0.000 1.095 124 Q HN 0.249 nan 8.270 nan 0.000 0.477 125 D N 0.938 121.330 120.400 -0.013 0.000 2.686 125 D HA -0.202 4.438 4.640 0.001 0.000 0.235 125 D C -0.388 175.903 176.300 -0.016 0.000 1.160 125 D CA 0.707 54.699 54.000 -0.012 0.000 0.645 125 D CB -1.175 39.627 40.800 0.004 0.000 1.039 125 D HN 0.332 nan 8.370 nan 0.000 0.423 126 L N -0.253 120.946 121.223 -0.040 0.000 2.379 126 L HA 0.400 4.740 4.340 0.001 0.000 0.269 126 L C 0.959 177.804 176.870 -0.040 0.000 1.084 126 L CA -0.973 53.848 54.840 -0.032 0.000 0.802 126 L CB 1.542 43.577 42.059 -0.039 0.000 1.175 126 L HN -0.246 nan 8.230 nan 0.000 0.448 127 V N 3.768 123.671 119.914 -0.019 0.000 2.455 127 V HA 0.216 4.336 4.120 0.001 0.000 0.273 127 V C 0.308 176.391 176.094 -0.019 0.000 1.045 127 V CA -0.042 62.247 62.300 -0.018 0.000 0.976 127 V CB 1.092 32.907 31.823 -0.014 0.000 0.993 127 V HN 0.423 nan 8.190 nan 0.000 0.475 128 I N 6.504 127.066 120.570 -0.013 0.000 2.321 128 I HA 0.419 4.589 4.170 0.001 0.000 0.291 128 I C -0.194 175.928 176.117 0.010 0.000 0.998 128 I CA -0.176 61.130 61.300 0.010 0.000 1.227 128 I CB 1.327 39.360 38.000 0.055 0.000 1.368 128 I HN 0.421 nan 8.210 nan 0.000 0.466 129 I N 8.884 129.450 120.570 -0.006 0.000 2.371 129 I HA 0.272 4.442 4.170 0.001 0.000 0.282 129 I C -2.168 173.938 176.117 -0.018 0.000 1.031 129 I CA -1.945 59.337 61.300 -0.028 0.000 1.180 129 I CB 1.194 39.153 38.000 -0.068 0.000 1.336 129 I HN 0.269 nan 8.210 nan 0.000 0.467 130 P HA 0.105 nan 4.420 nan 0.000 0.276 130 P C -0.663 176.622 177.300 -0.024 0.000 1.243 130 P CA -0.032 63.058 63.100 -0.017 0.000 0.768 130 P CB 1.578 33.259 31.700 -0.031 0.000 0.856 131 V N 6.015 125.921 119.914 -0.013 0.000 2.376 131 V HA 0.314 4.435 4.120 0.001 0.000 0.287 131 V C 0.499 176.593 176.094 0.000 0.000 1.015 131 V CA -0.570 61.720 62.300 -0.017 0.000 0.834 131 V CB 1.455 33.265 31.823 -0.021 0.000 1.001 131 V HN 0.409 nan 8.190 nan 0.000 0.428 132 I N 6.545 127.110 120.570 -0.008 0.000 2.297 132 I HA 0.360 4.530 4.170 0.001 0.000 0.291 132 I C 0.142 176.254 176.117 -0.008 0.000 1.033 132 I CA -0.250 61.050 61.300 -0.001 0.000 1.253 132 I CB 0.849 38.843 38.000 -0.010 0.000 1.396 132 I HN 0.745 nan 8.210 nan 0.000 0.476 133 N N 6.335 125.034 118.700 -0.003 0.000 2.671 133 N HA 0.374 5.114 4.740 0.001 0.000 0.303 133 N C -0.035 175.459 175.510 -0.026 0.000 1.277 133 N CA -0.804 52.239 53.050 -0.013 0.000 0.933 133 N CB 0.557 39.042 38.487 -0.003 0.000 1.190 133 N HN 0.214 nan 8.380 nan 0.000 0.600 134 K N -0.814 119.570 120.400 -0.027 0.000 3.129 134 K HA -0.097 4.223 4.320 0.001 0.000 0.273 134 K C 0.597 177.181 176.600 -0.028 0.000 1.123 134 K CA 0.248 56.516 56.287 -0.032 0.000 0.800 134 K CB -1.759 30.709 32.500 -0.054 0.000 1.238 134 K HN 0.572 nan 8.250 nan 0.000 0.492 135 I N 1.040 121.597 120.570 -0.022 0.000 2.567 135 I HA -0.224 3.946 4.170 0.001 0.000 0.257 135 I C 2.235 178.343 176.117 -0.015 0.000 1.184 135 I CA 1.812 63.101 61.300 -0.019 0.000 1.451 135 I CB -0.790 37.200 38.000 -0.017 0.000 1.089 135 I HN 0.332 nan 8.210 nan 0.000 0.441 136 D N 1.472 121.864 120.400 -0.014 0.000 2.144 136 D HA -0.143 4.498 4.640 0.001 0.000 0.200 136 D C 1.183 177.478 176.300 -0.009 0.000 0.978 136 D CA 0.304 54.298 54.000 -0.010 0.000 0.833 136 D CB -0.475 40.320 40.800 -0.008 0.000 0.961 136 D HN 0.240 nan 8.370 nan 0.000 0.470 137 L N 1.392 122.608 121.223 -0.012 0.000 2.559 137 L HA 0.006 4.346 4.340 0.001 0.000 0.282 137 L C -1.233 175.634 176.870 -0.006 0.000 1.232 137 L CA -1.051 53.784 54.840 -0.009 0.000 0.885 137 L CB -0.002 42.050 42.059 -0.012 0.000 1.131 137 L HN -0.146 nan 8.230 nan 0.000 0.498 138 P HA -0.142 nan 4.420 nan 0.000 0.219 138 P C 1.368 178.668 177.300 -0.001 0.000 1.146 138 P CA 1.072 64.172 63.100 -0.001 0.000 0.808 138 P CB 0.210 31.911 31.700 0.003 0.000 0.779 139 S N -1.476 114.225 115.700 0.002 0.000 2.527 139 S HA 0.197 4.667 4.470 0.001 0.000 0.222 139 S C 1.166 175.763 174.600 -0.005 0.000 0.985 139 S CA -0.015 58.187 58.200 0.003 0.000 0.921 139 S CB -0.937 62.272 63.200 0.016 0.000 0.772 139 S HN 0.122 nan 8.310 nan 0.000 0.529 140 A N 1.864 124.679 122.820 -0.009 0.000 2.540 140 A HA 0.354 4.674 4.320 0.001 0.000 0.239 140 A C 0.212 177.788 177.584 -0.013 0.000 1.061 140 A CA 0.166 52.194 52.037 -0.014 0.000 0.758 140 A CB -0.046 18.945 19.000 -0.016 0.000 0.991 140 A HN 0.325 nan 8.150 nan 0.000 0.502 141 D N 2.519 122.911 120.400 -0.013 0.000 2.621 141 D HA 0.270 4.910 4.640 0.001 0.000 0.274 141 D C 0.820 177.112 176.300 -0.012 0.000 1.215 141 D CA -0.380 53.612 54.000 -0.012 0.000 0.810 141 D CB 0.396 41.188 40.800 -0.012 0.000 1.248 141 D HN 0.094 nan 8.370 nan 0.000 0.517 142 V N 1.688 121.594 119.914 -0.013 0.000 2.278 142 V HA -0.284 3.836 4.120 0.001 0.000 0.251 142 V C 1.676 177.761 176.094 -0.015 0.000 1.062 142 V CA 2.142 64.434 62.300 -0.014 0.000 1.038 142 V CB -0.332 31.482 31.823 -0.015 0.000 0.646 142 V HN 0.409 nan 8.190 nan 0.000 0.447 143 D N -0.719 119.672 120.400 -0.014 0.000 2.123 143 D HA -0.186 4.454 4.640 0.001 0.000 0.196 143 D C 2.333 178.624 176.300 -0.014 0.000 0.992 143 D CA 1.333 55.324 54.000 -0.014 0.000 0.833 143 D CB -0.273 40.519 40.800 -0.013 0.000 0.954 143 D HN 0.300 nan 8.370 nan 0.000 0.455 144 R N 0.603 121.095 120.500 -0.012 0.000 2.070 144 R HA -0.114 4.226 4.340 0.001 0.000 0.233 144 R C 1.996 178.289 176.300 -0.011 0.000 1.137 144 R CA 1.158 57.252 56.100 -0.010 0.000 0.945 144 R CB -0.482 29.813 30.300 -0.007 0.000 0.845 144 R HN 0.098 nan 8.270 nan 0.000 0.430 145 V N 1.974 121.882 119.914 -0.011 0.000 2.332 145 V HA -0.264 3.856 4.120 0.001 0.000 0.248 145 V C 2.394 178.472 176.094 -0.027 0.000 1.055 145 V CA 2.086 64.378 62.300 -0.013 0.000 1.038 145 V CB -0.504 31.314 31.823 -0.007 0.000 0.651 145 V HN 0.391 nan 8.190 nan 0.000 0.450 146 K N 0.096 120.480 120.400 -0.026 0.000 2.063 146 K HA -0.256 4.065 4.320 0.001 0.000 0.208 146 K C 2.268 178.846 176.600 -0.037 0.000 1.048 146 K CA 1.647 57.914 56.287 -0.033 0.000 0.928 146 K CB -0.237 32.247 32.500 -0.026 0.000 0.713 146 K HN 0.237 nan 8.250 nan 0.000 0.442 147 K N 1.717 122.100 120.400 -0.028 0.000 2.057 147 K HA -0.164 4.156 4.320 0.001 0.000 0.207 147 K C 1.949 178.528 176.600 -0.036 0.000 1.049 147 K CA 1.589 57.860 56.287 -0.026 0.000 0.931 147 K CB -0.065 32.425 32.500 -0.016 0.000 0.714 147 K HN 0.175 nan 8.250 nan 0.000 0.440 148 Q N -0.218 119.560 119.800 -0.038 0.000 2.079 148 Q HA -0.081 4.259 4.340 0.001 0.000 0.200 148 Q C 2.171 178.111 176.000 -0.100 0.000 0.974 148 Q CA 1.635 57.406 55.803 -0.054 0.000 0.840 148 Q CB -0.164 28.550 28.738 -0.041 0.000 0.898 148 Q HN 0.351 nan 8.270 nan 0.000 0.430 149 I N 0.774 121.281 120.570 -0.104 0.000 2.335 149 I HA -0.285 3.885 4.170 0.001 0.000 0.251 149 I C 2.470 178.500 176.117 -0.145 0.000 1.129 149 I CA 1.241 62.451 61.300 -0.151 0.000 1.402 149 I CB -0.216 37.717 38.000 -0.112 0.000 1.069 149 I HN 0.328 nan 8.210 nan 0.000 0.424 150 E N 0.990 121.135 120.200 -0.091 0.000 2.060 150 E HA -0.162 4.189 4.350 0.001 0.000 0.189 150 E C 1.987 178.550 176.600 -0.061 0.000 0.974 150 E CA 0.756 57.116 56.400 -0.067 0.000 0.808 150 E CB 0.146 29.821 29.700 -0.041 0.000 0.768 150 E HN 0.475 nan 8.360 nan 0.000 0.453 151 E N -0.023 120.144 120.200 -0.054 0.000 2.112 151 E HA -0.095 4.255 4.350 0.001 0.000 0.190 151 E C 2.139 178.708 176.600 -0.051 0.000 0.979 151 E CA 1.041 57.419 56.400 -0.037 0.000 0.814 151 E CB 0.416 30.104 29.700 -0.020 0.000 0.762 151 E HN 0.156 nan 8.360 nan 0.000 0.460 152 V N 1.078 120.935 119.914 -0.095 0.000 2.492 152 V HA -0.093 4.027 4.120 0.001 0.000 0.241 152 V C 2.100 178.064 176.094 -0.216 0.000 1.041 152 V CA 0.962 63.186 62.300 -0.127 0.000 1.057 152 V CB -0.155 31.583 31.823 -0.142 0.000 0.711 152 V HN 0.197 nan 8.190 nan 0.000 0.468 153 L N 0.422 121.423 121.223 -0.371 0.000 2.375 153 L HA 0.325 4.665 4.340 0.001 0.000 0.215 153 L C 1.740 178.418 176.870 -0.319 0.000 1.108 153 L CA 0.953 55.368 54.840 -0.708 0.000 0.830 153 L CB -0.560 40.886 42.059 -1.021 0.000 0.959 153 L HN 0.576 nan 8.230 nan 0.000 0.457 154 G N 1.153 109.863 108.800 -0.150 0.000 2.176 154 G HA2 -0.255 3.705 3.960 0.001 0.000 0.252 154 G HA3 -0.255 3.705 3.960 0.001 0.000 0.252 154 G C 0.047 174.934 174.900 -0.022 0.000 1.024 154 G CA 0.101 45.179 45.100 -0.036 0.000 0.755 154 G HN 0.212 nan 8.290 nan 0.000 0.507 155 L N -0.656 120.527 121.223 -0.067 0.000 2.376 155 L HA 0.564 4.905 4.340 0.001 0.000 0.267 155 L C 0.246 177.096 176.870 -0.033 0.000 1.035 155 L CA -1.096 53.723 54.840 -0.034 0.000 0.800 155 L CB 0.846 42.875 42.059 -0.050 0.000 1.290 155 L HN 0.061 nan 8.230 nan 0.000 0.462 156 D N 0.724 121.111 120.400 -0.022 0.000 2.365 156 D HA 0.164 4.804 4.640 0.001 0.000 0.237 156 D C -1.836 174.447 176.300 -0.028 0.000 1.190 156 D CA -1.740 52.247 54.000 -0.021 0.000 0.867 156 D CB 1.723 42.515 40.800 -0.013 0.000 1.050 156 D HN 0.139 nan 8.370 nan 0.000 0.491 157 P HA -0.152 nan 4.420 nan 0.000 0.218 157 P C 0.903 178.187 177.300 -0.028 0.000 1.146 157 P CA 0.893 63.973 63.100 -0.033 0.000 0.820 157 P CB 0.419 32.101 31.700 -0.030 0.000 0.778 158 E N -0.239 119.947 120.200 -0.024 0.000 2.268 158 E HA -0.141 4.210 4.350 0.001 0.000 0.195 158 E C 1.406 177.992 176.600 -0.025 0.000 0.995 158 E CA 0.911 57.298 56.400 -0.022 0.000 0.836 158 E CB -0.452 29.238 29.700 -0.017 0.000 0.763 158 E HN 0.526 nan 8.360 nan 0.000 0.491 159 E N 0.465 120.649 120.200 -0.026 0.000 2.479 159 E HA 0.186 4.537 4.350 0.001 0.000 0.193 159 E C 0.277 176.855 176.600 -0.036 0.000 1.049 159 E CA -0.209 56.173 56.400 -0.030 0.000 0.870 159 E CB 0.469 30.153 29.700 -0.026 0.000 0.944 159 E HN 0.042 nan 8.360 nan 0.000 0.492 160 A N 1.479 124.278 122.820 -0.035 0.000 2.425 160 A HA 0.325 4.645 4.320 0.001 0.000 0.249 160 A C 0.021 177.581 177.584 -0.039 0.000 1.084 160 A CA -0.109 51.906 52.037 -0.037 0.000 0.781 160 A CB 0.230 19.209 19.000 -0.035 0.000 1.019 160 A HN 0.131 nan 8.150 nan 0.000 0.490 161 I N 2.342 122.886 120.570 -0.044 0.000 2.377 161 I HA 0.246 4.416 4.170 0.001 0.000 0.293 161 I C -0.477 175.615 176.117 -0.042 0.000 0.987 161 I CA -0.296 60.974 61.300 -0.051 0.000 1.185 161 I CB 1.467 39.425 38.000 -0.070 0.000 1.341 161 I HN 0.485 nan 8.210 nan 0.000 0.455 162 L N 6.143 127.342 121.223 -0.039 0.000 2.276 162 L HA 0.687 5.027 4.340 0.001 0.000 0.286 162 L C 0.175 177.023 176.870 -0.036 0.000 1.061 162 L CA -0.303 54.518 54.840 -0.032 0.000 0.807 162 L CB 1.207 43.249 42.059 -0.027 0.000 1.177 162 L HN 0.660 nan 8.230 nan 0.000 0.429 163 A N 2.585 125.386 122.820 -0.031 0.000 2.423 163 A HA 0.808 5.128 4.320 0.001 0.000 0.304 163 A C -0.561 177.009 177.584 -0.023 0.000 1.104 163 A CA -0.548 51.469 52.037 -0.032 0.000 0.757 163 A CB 2.085 21.064 19.000 -0.035 0.000 1.313 163 A HN 0.508 nan 8.150 nan 0.000 0.423 164 S N -0.240 115.448 115.700 -0.020 0.000 2.536 164 S HA 0.491 4.961 4.470 0.001 0.000 0.246 164 S C 0.603 175.198 174.600 -0.008 0.000 1.077 164 S CA 0.264 58.456 58.200 -0.014 0.000 1.091 164 S CB 0.635 63.828 63.200 -0.011 0.000 1.148 164 S HN 1.878 nan 8.310 nan 0.000 0.447 165 A N 5.365 128.180 122.820 -0.007 0.000 1.841 165 A HA -0.080 4.240 4.320 0.001 0.000 0.216 165 A C 1.947 179.533 177.584 0.003 0.000 1.199 165 A CA 1.745 53.782 52.037 -0.001 0.000 0.621 165 A CB -0.622 18.377 19.000 -0.001 0.000 0.835 165 A HN 0.834 nan 8.150 nan 0.000 0.445 166 K N -0.301 120.099 120.400 0.001 0.000 2.074 166 K HA -0.194 4.127 4.320 0.001 0.000 0.209 166 K C 1.817 178.420 176.600 0.005 0.000 1.048 166 K CA 1.757 58.046 56.287 0.003 0.000 0.926 166 K CB -0.244 32.256 32.500 -0.000 0.000 0.713 166 K HN 0.648 nan 8.250 nan 0.000 0.444 167 E N -0.262 119.940 120.200 0.003 0.000 2.371 167 E HA 0.002 4.352 4.350 0.001 0.000 0.194 167 E C 0.473 177.080 176.600 0.011 0.000 1.012 167 E CA 0.258 56.661 56.400 0.005 0.000 0.860 167 E CB 0.239 29.940 29.700 0.001 0.000 0.811 167 E HN 0.459 nan 8.360 nan 0.000 0.502 168 G N 2.584 111.391 108.800 0.011 0.000 2.353 168 G HA2 -0.244 3.716 3.960 0.001 0.000 0.294 168 G HA3 -0.244 3.716 3.960 0.001 0.000 0.294 168 G C -0.016 174.895 174.900 0.018 0.000 1.077 168 G CA 0.632 45.745 45.100 0.021 0.000 1.098 168 G HN 0.355 nan 8.290 nan 0.000 0.511 169 I N -3.565 117.004 120.570 -0.001 0.000 2.969 169 I HA 0.883 5.054 4.170 0.001 0.000 0.307 169 I C 1.084 177.176 176.117 -0.041 0.000 1.149 169 I CA -0.611 60.681 61.300 -0.013 0.000 1.008 169 I CB 2.062 40.056 38.000 -0.010 0.000 1.232 169 I HN 1.492 nan 8.210 nan 0.000 0.435 170 G N 3.016 111.778 108.800 -0.064 0.000 2.254 170 G HA2 -0.233 3.727 3.960 0.001 0.000 0.225 170 G HA3 -0.233 3.727 3.960 0.001 0.000 0.225 170 G C 0.420 175.223 174.900 -0.162 0.000 1.003 170 G CA 0.372 45.415 45.100 -0.094 0.000 0.622 170 G HN 0.619 nan 8.290 nan 0.000 0.507 171 I N 1.637 122.083 120.570 -0.207 0.000 2.099 171 I HA -0.045 4.125 4.170 0.001 0.000 0.239 171 I C 2.442 178.238 176.117 -0.535 0.000 1.066 171 I CA 2.494 63.573 61.300 -0.368 0.000 1.324 171 I CB -0.621 37.112 38.000 -0.445 0.000 1.037 171 I HN 0.511 nan 8.210 nan 0.000 0.401 172 E N 0.368 120.226 120.200 -0.570 0.000 2.085 172 E HA -0.309 4.042 4.350 0.001 0.000 0.194 172 E C 2.220 178.668 176.600 -0.254 0.000 0.994 172 E CA 1.578 57.718 56.400 -0.435 0.000 0.801 172 E CB -0.126 29.494 29.700 -0.132 0.000 0.743 172 E HN 0.555 nan 8.360 nan 0.000 0.453 173 E N 0.131 120.217 120.200 -0.190 0.000 2.110 173 E HA -0.189 4.162 4.350 0.001 0.000 0.193 173 E C 2.106 178.592 176.600 -0.190 0.000 0.988 173 E CA 1.146 57.461 56.400 -0.142 0.000 0.804 173 E CB -0.048 29.590 29.700 -0.103 0.000 0.745 173 E HN 0.372 nan 8.360 nan 0.000 0.458 174 I N 0.642 121.066 120.570 -0.243 0.000 2.202 174 I HA -0.292 3.878 4.170 0.001 0.000 0.242 174 I C 2.381 178.274 176.117 -0.374 0.000 1.091 174 I CA 0.881 62.017 61.300 -0.273 0.000 1.368 174 I CB -0.215 37.627 38.000 -0.264 0.000 1.058 174 I HN 0.204 nan 8.210 nan 0.000 0.410 175 L N 0.199 121.130 121.223 -0.486 0.000 2.046 175 L HA -0.208 4.132 4.340 0.001 0.000 0.208 175 L C 2.669 179.251 176.870 -0.480 0.000 1.077 175 L CA 1.210 55.644 54.840 -0.676 0.000 0.747 175 L CB -0.595 40.765 42.059 -1.164 0.000 0.896 175 L HN 0.253 nan 8.230 nan 0.000 0.432 176 E N 0.143 120.177 120.200 -0.276 0.000 2.077 176 E HA -0.192 4.158 4.350 0.001 0.000 0.193 176 E C 2.297 178.807 176.600 -0.151 0.000 0.989 176 E CA 1.362 57.703 56.400 -0.098 0.000 0.800 176 E CB -0.169 29.513 29.700 -0.030 0.000 0.746 176 E HN 0.474 nan 8.360 nan 0.000 0.452 177 A N 1.077 123.788 122.820 -0.183 0.000 1.933 177 A HA -0.138 4.182 4.320 0.001 0.000 0.218 177 A C 2.316 179.778 177.584 -0.205 0.000 1.175 177 A CA 0.992 52.929 52.037 -0.167 0.000 0.628 177 A CB -0.586 18.318 19.000 -0.159 0.000 0.814 177 A HN 0.163 nan 8.150 nan 0.000 0.444 178 I N -0.694 119.698 120.570 -0.297 0.000 2.179 178 I HA -0.212 3.958 4.170 0.001 0.000 0.242 178 I C 2.377 178.329 176.117 -0.276 0.000 1.088 178 I CA 1.132 62.224 61.300 -0.346 0.000 1.357 178 I CB -0.296 37.358 38.000 -0.578 0.000 1.051 178 I HN 0.158 nan 8.210 nan 0.000 0.409 179 V N 1.246 120.976 119.914 -0.307 0.000 2.295 179 V HA -0.262 3.859 4.120 0.001 0.000 0.246 179 V C 2.039 177.960 176.094 -0.288 0.000 1.049 179 V CA 1.985 64.034 62.300 -0.418 0.000 1.024 179 V CB -0.708 30.793 31.823 -0.537 0.000 0.648 179 V HN 0.469 nan 8.190 nan 0.000 0.447 180 N N -0.230 118.357 118.700 -0.189 0.000 2.376 180 N HA -0.021 4.719 4.740 0.001 0.000 0.177 180 N C 1.910 177.372 175.510 -0.081 0.000 1.024 180 N CA 0.872 53.856 53.050 -0.110 0.000 0.893 180 N CB -0.021 38.420 38.487 -0.076 0.000 0.980 180 N HN 0.518 nan 8.380 nan 0.000 0.439 181 R N 0.014 120.458 120.500 -0.094 0.000 2.167 181 R HA 0.317 4.658 4.340 0.001 0.000 0.201 181 R C 0.577 176.845 176.300 -0.053 0.000 1.024 181 R CA 0.091 56.152 56.100 -0.066 0.000 1.053 181 R CB 0.565 30.824 30.300 -0.069 0.000 0.987 181 R HN 0.059 nan 8.270 nan 0.000 0.493 182 I N 4.762 125.290 120.570 -0.069 0.000 2.416 182 I HA 0.126 4.296 4.170 0.001 0.000 0.288 182 I C -1.966 174.143 176.117 -0.013 0.000 1.051 182 I CA -2.171 59.107 61.300 -0.036 0.000 1.375 182 I CB 0.976 38.954 38.000 -0.038 0.000 1.407 182 I HN -0.118 nan 8.210 nan 0.000 0.516 183 P HA 0.237 nan 4.420 nan 0.000 0.274 183 P C -2.630 174.701 177.300 0.051 0.000 1.237 183 P CA -1.533 61.585 63.100 0.030 0.000 0.793 183 P CB 0.199 31.919 31.700 0.033 0.000 0.977 184 P HA 0.222 nan 4.420 nan 0.000 0.274 184 P C -2.369 174.983 177.300 0.087 0.000 1.256 184 P CA -1.822 61.331 63.100 0.089 0.000 0.795 184 P CB -0.978 30.784 31.700 0.102 0.000 1.038 185 P HA 0.152 nan 4.420 nan 0.000 0.271 185 P C -0.547 176.814 177.300 0.100 0.000 1.218 185 P CA 0.140 63.298 63.100 0.096 0.000 0.780 185 P CB 0.486 32.231 31.700 0.076 0.000 0.901 186 K N 1.496 121.969 120.400 0.122 0.000 2.206 186 K HA 0.764 5.084 4.320 0.001 0.000 0.264 186 K C 0.399 177.084 176.600 0.142 0.000 0.967 186 K CA -0.424 55.930 56.287 0.111 0.000 0.844 186 K CB 1.883 34.441 32.500 0.095 0.000 1.099 186 K HN 0.881 nan 8.250 nan 0.000 0.441 187 G N 1.261 110.129 108.800 0.113 0.000 2.377 187 G HA2 0.109 4.070 3.960 0.001 0.000 0.297 187 G HA3 0.109 4.070 3.960 0.001 0.000 0.297 187 G C -2.025 172.928 174.900 0.088 0.000 1.547 187 G CA -0.656 44.518 45.100 0.123 0.000 0.833 187 G HN 0.377 nan 8.290 nan 0.000 0.583 188 D N 1.148 121.597 120.400 0.082 0.000 2.414 188 D HA 0.457 5.098 4.640 0.001 0.000 0.232 188 D C -1.234 175.105 176.300 0.064 0.000 1.070 188 D CA -2.092 51.947 54.000 0.064 0.000 0.839 188 D CB 2.727 43.561 40.800 0.056 0.000 1.079 188 D HN 0.063 nan 8.370 nan 0.000 0.521 189 P HA -0.106 nan 4.420 nan 0.000 0.228 189 P C 0.765 178.100 177.300 0.058 0.000 1.151 189 P CA 0.722 63.855 63.100 0.056 0.000 0.770 189 P CB 0.705 32.434 31.700 0.049 0.000 0.786 190 Q N -0.298 119.534 119.800 0.053 0.000 2.402 190 Q HA 0.132 4.472 4.340 0.001 0.000 0.206 190 Q C 0.931 176.965 176.000 0.057 0.000 0.919 190 Q CA 0.472 56.306 55.803 0.051 0.000 0.923 190 Q CB 0.109 28.871 28.738 0.040 0.000 1.048 190 Q HN 0.393 nan 8.270 nan 0.000 0.515 191 K N 1.287 121.722 120.400 0.059 0.000 2.149 191 K HA 0.201 4.521 4.320 0.001 0.000 0.245 191 K C -2.352 174.293 176.600 0.075 0.000 1.024 191 K CA -1.694 54.629 56.287 0.060 0.000 0.899 191 K CB -0.176 32.357 32.500 0.056 0.000 1.038 191 K HN -0.136 nan 8.250 nan 0.000 0.496 192 P HA -0.077 nan 4.420 nan 0.000 0.266 192 P C -0.697 176.643 177.300 0.066 0.000 1.195 192 P CA -0.253 62.906 63.100 0.098 0.000 0.768 192 P CB 0.355 32.102 31.700 0.079 0.000 0.838 193 L N 3.517 124.758 121.223 0.031 0.000 2.543 193 L HA 0.069 4.410 4.340 0.001 0.000 0.285 193 L C 0.284 177.127 176.870 -0.045 0.000 1.236 193 L CA 1.107 55.887 54.840 -0.100 0.000 0.871 193 L CB -0.433 41.329 42.059 -0.494 0.000 1.121 193 L HN 0.328 nan 8.230 nan 0.000 0.501 194 K N 4.380 124.786 120.400 0.011 0.000 2.761 194 K HA 0.662 4.983 4.320 0.001 0.000 0.257 194 K C -1.797 174.892 176.600 0.149 0.000 1.053 194 K CA -0.269 56.066 56.287 0.079 0.000 1.035 194 K CB 0.869 33.438 32.500 0.115 0.000 1.267 194 K HN 0.797 nan 8.250 nan 0.000 0.505 195 A N 3.839 126.716 122.820 0.096 0.000 2.331 195 A HA 0.574 4.895 4.320 0.001 0.000 0.320 195 A C -1.397 176.277 177.584 0.150 0.000 1.138 195 A CA -0.769 51.324 52.037 0.093 0.000 0.790 195 A CB 1.077 20.078 19.000 0.002 0.000 1.206 195 A HN 0.634 nan 8.150 nan 0.000 0.470 196 L N 3.478 124.836 121.223 0.226 0.000 2.292 196 L HA 0.568 4.909 4.340 0.001 0.000 0.284 196 L C -0.546 176.453 176.870 0.215 0.000 1.065 196 L CA -0.097 54.908 54.840 0.275 0.000 0.806 196 L CB 0.500 42.836 42.059 0.461 0.000 1.175 196 L HN 0.578 nan 8.230 nan 0.000 0.431 197 I N 6.392 127.054 120.570 0.153 0.000 2.352 197 I HA 0.141 4.311 4.170 0.001 0.000 0.290 197 I C 0.149 176.349 176.117 0.139 0.000 1.036 197 I CA -0.035 61.300 61.300 0.058 0.000 1.336 197 I CB 0.503 38.518 38.000 0.025 0.000 1.407 197 I HN 0.790 nan 8.210 nan 0.000 0.497 198 F N 2.412 122.411 119.950 0.082 0.000 2.728 198 F HA 0.526 5.053 4.527 0.000 0.000 0.314 198 F C 0.035 175.874 175.800 0.065 0.000 1.094 198 F CA -0.408 57.621 58.000 0.048 0.000 1.217 198 F CB 0.289 39.296 39.000 0.012 0.000 1.056 198 F HN 0.293 nan 8.300 nan 0.000 0.577 199 D N -0.228 120.018 120.400 -0.257 0.000 2.725 199 D HA 0.529 5.169 4.640 0.001 0.000 0.292 199 D C -1.272 175.051 176.300 0.038 0.000 1.288 199 D CA 0.239 54.220 54.000 -0.030 0.000 0.784 199 D CB 1.940 42.754 40.800 0.023 0.000 1.308 199 D HN 0.179 nan 8.370 nan 0.000 0.429 200 S N -0.508 115.294 115.700 0.169 0.000 2.643 200 S HA 0.727 5.198 4.470 0.001 0.000 0.266 200 S C -1.728 172.986 174.600 0.190 0.000 1.130 200 S CA -0.844 57.387 58.200 0.050 0.000 0.817 200 S CB 1.412 64.575 63.200 -0.062 0.000 1.107 200 S HN 1.036 nan 8.310 nan 0.000 0.471 201 Y N -1.348 118.886 120.300 -0.109 0.000 2.702 201 Y HA 0.739 5.290 4.550 0.001 0.000 0.336 201 Y C -2.183 173.667 175.900 -0.084 0.000 1.203 201 Y CA -1.548 56.520 58.100 -0.053 0.000 1.072 201 Y CB 0.498 38.952 38.460 -0.010 0.000 1.327 201 Y HN 0.949 nan 8.280 nan 0.000 0.456 202 Y N 2.948 123.117 120.300 -0.219 0.000 2.335 202 Y HA 0.433 4.983 4.550 0.000 0.000 0.339 202 Y C -0.792 174.924 175.900 -0.307 0.000 0.987 202 Y CA -0.796 57.097 58.100 -0.344 0.000 1.140 202 Y CB 1.018 39.372 38.460 -0.176 0.000 1.173 202 Y HN 0.774 nan 8.280 nan 0.000 0.486 203 D N 8.794 128.455 120.400 -1.232 0.000 2.349 203 D HA 0.219 4.860 4.640 0.001 0.000 0.232 203 D C -1.896 173.861 176.300 -0.905 0.000 1.071 203 D CA -2.147 51.418 54.000 -0.725 0.000 0.832 203 D CB 2.317 42.776 40.800 -0.569 0.000 1.086 203 D HN 0.373 nan 8.370 nan 0.000 0.504 204 P HA -0.165 nan 4.420 nan 0.000 0.220 204 P C 0.515 177.392 177.300 -0.704 0.000 1.144 204 P CA 1.150 63.904 63.100 -0.576 0.000 0.800 204 P CB 0.242 31.573 31.700 -0.615 0.000 0.772 205 Y N -0.601 119.590 120.300 -0.183 0.000 2.539 205 Y HA 0.257 4.808 4.550 0.000 0.000 0.284 205 Y C 2.699 178.495 175.900 -0.174 0.000 1.134 205 Y CA 0.270 58.291 58.100 -0.132 0.000 1.251 205 Y CB -0.619 37.787 38.460 -0.089 0.000 1.260 205 Y HN -0.246 nan 8.280 nan 0.000 0.528 206 R N 0.347 120.772 120.500 -0.125 0.000 2.276 206 R HA 0.274 4.614 4.340 0.001 0.000 0.196 206 R C 0.825 176.937 176.300 -0.312 0.000 0.961 206 R CA 0.626 56.613 56.100 -0.189 0.000 1.024 206 R CB 0.002 30.175 30.300 -0.211 0.000 0.940 206 R HN 0.465 nan 8.270 nan 0.000 0.480 207 G N 0.520 109.025 108.800 -0.493 0.000 2.568 207 G HA2 -0.247 3.713 3.960 0.001 0.000 0.222 207 G HA3 -0.247 3.713 3.960 0.001 0.000 0.222 207 G C -0.650 173.818 174.900 -0.721 0.000 1.321 207 G CA -0.502 44.279 45.100 -0.532 0.000 0.893 207 G HN 0.360 nan 8.290 nan 0.000 0.569 208 A N -0.679 121.924 122.820 -0.362 0.000 2.451 208 A HA 0.580 4.900 4.320 0.001 0.000 0.266 208 A C 0.442 177.742 177.584 -0.473 0.000 1.119 208 A CA 0.528 52.370 52.037 -0.324 0.000 0.786 208 A CB 0.373 19.307 19.000 -0.110 0.000 1.061 208 A HN 1.803 nan 8.150 nan 0.000 0.503 209 V N 2.510 122.010 119.914 -0.689 0.000 2.427 209 V HA 0.593 4.713 4.120 0.001 0.000 0.286 209 V C 0.636 176.379 176.094 -0.586 0.000 1.034 209 V CA -0.191 61.701 62.300 -0.680 0.000 0.893 209 V CB 1.373 32.609 31.823 -0.979 0.000 0.982 209 V HN 1.077 nan 8.190 nan 0.000 0.452 210 A N 4.854 127.411 122.820 -0.440 0.000 2.276 210 A HA 0.811 5.131 4.320 0.001 0.000 0.316 210 A C -0.900 176.443 177.584 -0.402 0.000 1.229 210 A CA -0.330 51.491 52.037 -0.359 0.000 0.851 210 A CB 0.264 19.129 19.000 -0.225 0.000 1.165 210 A HN 0.591 nan 8.150 nan 0.000 0.513 211 F N 2.429 122.197 119.950 -0.303 0.000 2.411 211 F HA 0.465 4.993 4.527 0.001 0.000 0.355 211 F C 0.653 176.006 175.800 -0.745 0.000 1.117 211 F CA -0.186 57.531 58.000 -0.472 0.000 1.139 211 F CB 1.636 40.241 39.000 -0.657 0.000 1.120 211 F HN 0.507 nan 8.300 nan 0.000 0.493 212 V N 1.394 121.222 119.914 -0.143 0.000 3.126 212 V HA 0.831 4.951 4.120 0.001 0.000 0.314 212 V C -1.003 175.261 176.094 0.283 0.000 1.138 212 V CA -1.224 61.094 62.300 0.031 0.000 1.034 212 V CB 2.119 33.937 31.823 -0.009 0.000 1.075 212 V HN 0.639 nan 8.190 nan 0.000 0.442 213 R N 2.320 122.932 120.500 0.186 0.000 2.437 213 R HA 0.644 4.984 4.340 0.001 0.000 0.310 213 R C -1.176 174.954 176.300 -0.283 0.000 0.955 213 R CA -0.807 55.222 56.100 -0.119 0.000 0.851 213 R CB 1.075 31.184 30.300 -0.319 0.000 1.161 213 R HN 0.775 nan 8.270 nan 0.000 0.446 214 I N 6.958 127.366 120.570 -0.270 0.000 2.312 214 I HA 0.168 4.339 4.170 0.001 0.000 0.291 214 I C 0.384 176.336 176.117 -0.274 0.000 1.031 214 I CA -0.154 61.035 61.300 -0.186 0.000 1.293 214 I CB 0.240 38.188 38.000 -0.088 0.000 1.403 214 I HN 0.691 nan 8.210 nan 0.000 0.484 215 F N 2.964 122.926 119.950 0.020 0.000 2.222 215 F HA 0.102 4.629 4.527 0.000 0.000 0.285 215 F C 1.028 176.841 175.800 0.022 0.000 1.068 215 F CA 0.837 58.851 58.000 0.023 0.000 1.265 215 F CB 0.138 39.152 39.000 0.023 0.000 1.087 215 F HN 0.356 nan 8.300 nan 0.000 0.511 216 D N -1.196 119.329 120.400 0.209 0.000 2.350 216 D HA 0.488 5.128 4.640 0.001 0.000 0.238 216 D C 0.490 176.833 176.300 0.072 0.000 0.989 216 D CA 0.671 54.743 54.000 0.120 0.000 0.921 216 D CB 1.646 42.509 40.800 0.105 0.000 1.297 216 D HN 0.320 nan 8.370 nan 0.000 0.490 217 G N 0.931 109.771 108.800 0.066 0.000 2.645 217 G HA2 -0.169 3.791 3.960 0.001 0.000 0.239 217 G HA3 -0.169 3.791 3.960 0.001 0.000 0.239 217 G C -0.723 174.210 174.900 0.056 0.000 1.331 217 G CA -0.358 44.781 45.100 0.065 0.000 0.890 217 G HN 0.561 nan 8.290 nan 0.000 0.572 218 E N -2.010 118.237 120.200 0.077 0.000 2.390 218 E HA 0.593 4.943 4.350 0.001 0.000 0.277 218 E C -1.271 175.387 176.600 0.096 0.000 0.939 218 E CA -0.709 55.735 56.400 0.073 0.000 0.769 218 E CB 2.909 32.659 29.700 0.084 0.000 1.251 218 E HN 1.034 nan 8.360 nan 0.000 0.450 219 V N 1.748 121.700 119.914 0.063 0.000 2.841 219 V HA 0.689 4.810 4.120 0.001 0.000 0.310 219 V C -1.765 174.369 176.094 0.067 0.000 1.090 219 V CA -0.356 61.992 62.300 0.081 0.000 0.930 219 V CB 1.761 33.577 31.823 -0.011 0.000 1.014 219 V HN 0.752 nan 8.190 nan 0.000 0.425 220 K N 4.624 125.074 120.400 0.084 0.000 2.556 220 K HA 0.710 5.030 4.320 0.001 0.000 0.274 220 K C -3.235 173.390 176.600 0.042 0.000 0.966 220 K CA -2.090 54.227 56.287 0.050 0.000 0.865 220 K CB 1.850 34.382 32.500 0.052 0.000 1.444 220 K HN 0.344 nan 8.250 nan 0.000 0.433 221 P HA -0.022 nan 4.420 nan 0.000 0.265 221 P C 0.588 177.904 177.300 0.028 0.000 1.187 221 P CA 1.785 64.898 63.100 0.022 0.000 0.766 221 P CB 0.466 32.177 31.700 0.017 0.000 0.820 222 G N 1.539 110.356 108.800 0.029 0.000 2.241 222 G HA2 -0.201 3.760 3.960 0.001 0.000 0.244 222 G HA3 -0.201 3.760 3.960 0.001 0.000 0.244 222 G C -0.014 174.904 174.900 0.031 0.000 0.998 222 G CA -0.206 44.910 45.100 0.026 0.000 0.621 222 G HN 0.516 nan 8.290 nan 0.000 0.519 223 D N 1.427 121.857 120.400 0.050 0.000 2.414 223 D HA 0.443 5.083 4.640 0.001 0.000 0.242 223 D C 0.540 176.897 176.300 0.094 0.000 1.129 223 D CA 0.281 54.324 54.000 0.072 0.000 0.885 223 D CB 0.666 41.569 40.800 0.173 0.000 1.198 223 D HN 0.041 nan 8.370 nan 0.000 0.437 224 K N 2.780 123.231 120.400 0.085 0.000 2.268 224 K HA 0.316 4.636 4.320 0.001 0.000 0.276 224 K C 0.209 176.905 176.600 0.159 0.000 1.080 224 K CA -0.392 55.950 56.287 0.092 0.000 0.910 224 K CB 0.419 32.944 32.500 0.042 0.000 1.163 224 K HN 0.483 nan 8.250 nan 0.000 0.465 225 I N -0.807 119.858 120.570 0.158 0.000 2.918 225 I HA 0.539 4.709 4.170 0.001 0.000 0.316 225 I C 0.019 176.204 176.117 0.113 0.000 1.001 225 I CA -0.970 60.418 61.300 0.146 0.000 1.142 225 I CB 1.554 39.618 38.000 0.107 0.000 1.356 225 I HN 0.286 nan 8.210 nan 0.000 0.524 226 M N 3.686 123.335 119.600 0.081 0.000 2.378 226 M HA 0.406 4.886 4.480 0.001 0.000 0.289 226 M C -2.174 174.151 176.300 0.041 0.000 1.136 226 M CA -0.688 54.642 55.300 0.051 0.000 0.917 226 M CB 2.495 35.110 32.600 0.025 0.000 1.669 226 M HN 0.552 nan 8.290 nan 0.000 0.461 227 L N 5.842 127.090 121.223 0.042 0.000 2.257 227 L HA 0.308 4.649 4.340 0.001 0.000 0.290 227 L C 1.189 178.031 176.870 -0.047 0.000 1.044 227 L CA 0.118 54.962 54.840 0.006 0.000 0.810 227 L CB 1.315 43.401 42.059 0.044 0.000 1.193 227 L HN 0.953 nan 8.230 nan 0.000 0.425 228 M N 1.397 120.952 119.600 -0.075 0.000 2.279 228 M HA -0.187 4.293 4.480 0.001 0.000 0.264 228 M C 2.058 178.282 176.300 -0.125 0.000 1.062 228 M CA 1.639 56.889 55.300 -0.084 0.000 1.099 228 M CB -0.158 32.402 32.600 -0.068 0.000 1.394 228 M HN 0.770 nan 8.290 nan 0.000 0.426 229 S N -0.964 114.593 115.700 -0.239 0.000 2.461 229 S HA -0.055 4.415 4.470 0.001 0.000 0.228 229 S C 1.781 176.316 174.600 -0.109 0.000 1.005 229 S CA 1.260 59.300 58.200 -0.266 0.000 0.942 229 S CB -0.585 62.198 63.200 -0.696 0.000 0.776 229 S HN 0.585 nan 8.310 nan 0.000 0.514 230 T N -3.844 110.658 114.554 -0.086 0.000 2.999 230 T HA 0.515 4.865 4.350 0.001 0.000 0.247 230 T C 1.651 176.331 174.700 -0.033 0.000 1.012 230 T CA 0.745 62.824 62.100 -0.034 0.000 1.048 230 T CB -0.222 68.638 68.868 -0.013 0.000 1.020 230 T HN 1.226 nan 8.240 nan 0.000 0.478 231 G N 1.758 110.535 108.800 -0.040 0.000 2.136 231 G HA2 -0.264 3.696 3.960 0.001 0.000 0.242 231 G HA3 -0.264 3.696 3.960 0.001 0.000 0.242 231 G C -0.092 174.771 174.900 -0.062 0.000 0.989 231 G CA 0.360 45.437 45.100 -0.039 0.000 0.682 231 G HN 0.853 nan 8.290 nan 0.000 0.522 232 K N 0.737 121.093 120.400 -0.073 0.000 2.218 232 K HA 0.498 4.818 4.320 0.001 0.000 0.276 232 K C 0.272 176.728 176.600 -0.240 0.000 1.022 232 K CA -0.244 55.939 56.287 -0.173 0.000 0.946 232 K CB 0.400 32.806 32.500 -0.157 0.000 1.000 232 K HN 0.419 nan 8.250 nan 0.000 0.468 233 E N 2.168 122.137 120.200 -0.385 0.000 2.227 233 E HA 0.339 4.689 4.350 0.001 0.000 0.268 233 E C -1.359 174.919 176.600 -0.535 0.000 0.907 233 E CA -0.831 55.392 56.400 -0.295 0.000 0.786 233 E CB 1.470 31.086 29.700 -0.140 0.000 1.191 233 E HN 0.385 nan 8.360 nan 0.000 0.411 234 Y N -0.157 120.142 120.300 -0.002 0.000 2.655 234 Y HA 0.272 4.822 4.550 0.001 0.000 0.336 234 Y C -0.566 175.337 175.900 0.005 0.000 1.154 234 Y CA -0.989 57.109 58.100 -0.004 0.000 1.055 234 Y CB 1.937 40.389 38.460 -0.014 0.000 1.295 234 Y HN 0.435 nan 8.280 nan 0.000 0.465 235 E N 1.229 121.542 120.200 0.189 0.000 2.129 235 E HA 0.530 4.880 4.350 0.001 0.000 0.268 235 E C -1.405 175.245 176.600 0.082 0.000 0.900 235 E CA -0.650 55.813 56.400 0.105 0.000 0.755 235 E CB 1.291 31.032 29.700 0.067 0.000 1.117 235 E HN 0.481 nan 8.360 nan 0.000 0.410 236 V N 4.039 123.992 119.914 0.065 0.000 2.673 236 V HA -0.045 4.075 4.120 0.001 0.000 0.303 236 V C 1.427 177.532 176.094 0.019 0.000 1.046 236 V CA 1.175 63.492 62.300 0.029 0.000 1.126 236 V CB 1.017 32.858 31.823 0.029 0.000 0.934 236 V HN 0.969 nan 8.190 nan 0.000 0.487 237 T N 0.302 114.858 114.554 0.003 0.000 2.978 237 T HA 0.271 4.621 4.350 0.001 0.000 0.248 237 T C 0.314 175.019 174.700 0.009 0.000 1.018 237 T CA 0.240 62.344 62.100 0.007 0.000 1.026 237 T CB 0.459 69.326 68.868 -0.001 0.000 1.032 237 T HN 0.714 nan 8.240 nan 0.000 0.485 238 E N 0.389 120.592 120.200 0.005 0.000 2.380 238 E HA 0.495 4.845 4.350 0.001 0.000 0.281 238 E C -1.882 174.677 176.600 -0.069 0.000 0.999 238 E CA -0.970 55.436 56.400 0.010 0.000 0.800 238 E CB 2.579 32.329 29.700 0.083 0.000 1.228 238 E HN 0.263 nan 8.360 nan 0.000 0.436 239 V N -0.057 119.728 119.914 -0.214 0.000 3.049 239 V HA 1.051 5.171 4.120 0.001 0.000 0.309 239 V C -0.083 175.525 176.094 -0.811 0.000 1.148 239 V CA 0.407 62.404 62.300 -0.505 0.000 0.990 239 V CB 1.257 32.938 31.823 -0.237 0.000 1.039 239 V HN 1.000 nan 8.190 nan 0.000 0.430 240 G N 0.867 108.860 108.800 -1.345 0.000 2.392 240 G HA2 0.897 4.858 3.960 0.001 0.000 0.260 240 G HA3 0.897 4.858 3.960 0.001 0.000 0.260 240 G C -0.793 173.466 174.900 -1.068 0.000 1.226 240 G CA 0.245 44.480 45.100 -1.441 0.000 0.913 240 G HN 2.229 nan 8.290 nan 0.000 0.483 241 A N -1.350 121.019 122.820 -0.753 0.000 2.564 241 A HA 0.793 5.113 4.320 0.001 0.000 0.291 241 A C -1.160 176.491 177.584 0.112 0.000 1.102 241 A CA -0.425 51.605 52.037 -0.013 0.000 0.660 241 A CB 0.966 20.074 19.000 0.181 0.000 1.283 241 A HN 0.686 nan 8.150 nan 0.000 0.430 242 Q N 0.496 120.397 119.800 0.168 0.000 2.267 242 Q HA 0.482 4.823 4.340 0.001 0.000 0.255 242 Q C 0.095 176.164 176.000 0.114 0.000 0.923 242 Q CA 0.414 56.282 55.803 0.108 0.000 0.925 242 Q CB 1.058 29.825 28.738 0.048 0.000 1.195 242 Q HN 0.798 nan 8.270 nan 0.000 0.417 243 T N -2.414 112.207 114.554 0.111 0.000 3.442 243 T HA 0.235 4.585 4.350 0.001 0.000 0.295 243 T C -1.660 173.098 174.700 0.097 0.000 1.007 243 T CA -0.657 61.520 62.100 0.129 0.000 0.962 243 T CB 0.199 69.191 68.868 0.208 0.000 1.187 243 T HN 0.469 nan 8.240 nan 0.000 0.490 244 P HA 0.238 nan 4.420 nan 0.000 0.245 244 P C 0.148 177.465 177.300 0.029 0.000 1.206 244 P CA -0.086 63.037 63.100 0.038 0.000 0.781 244 P CB 0.351 32.062 31.700 0.019 0.000 0.994 245 K N 0.343 120.767 120.400 0.041 0.000 2.202 245 K HA 0.261 4.581 4.320 0.001 0.000 0.264 245 K C 0.719 177.341 176.600 0.038 0.000 1.010 245 K CA -0.629 55.673 56.287 0.026 0.000 0.940 245 K CB 0.406 32.924 32.500 0.030 0.000 0.983 245 K HN -0.076 nan 8.250 nan 0.000 0.475 246 M N 2.712 122.317 119.600 0.008 0.000 2.513 246 M HA 0.006 4.486 4.480 0.001 0.000 0.341 246 M C -0.396 175.937 176.300 0.055 0.000 1.689 246 M CA 0.907 56.214 55.300 0.011 0.000 1.202 246 M CB -0.619 31.913 32.600 -0.113 0.000 1.996 246 M HN 0.526 nan 8.290 nan 0.000 0.458 247 T N 4.774 119.370 114.554 0.070 0.000 2.807 247 T HA 0.389 4.739 4.350 0.001 0.000 0.279 247 T C 0.155 174.752 174.700 -0.171 0.000 0.993 247 T CA -0.908 61.200 62.100 0.013 0.000 0.970 247 T CB 1.656 70.580 68.868 0.093 0.000 0.950 247 T HN 0.417 nan 8.240 nan 0.000 0.441 248 K N 2.448 122.827 120.400 -0.035 0.000 2.298 248 K HA 0.470 4.790 4.320 0.001 0.000 0.280 248 K C -0.789 175.826 176.600 0.025 0.000 1.032 248 K CA -0.325 55.911 56.287 -0.084 0.000 0.958 248 K CB 0.490 33.012 32.500 0.037 0.000 0.978 248 K HN 0.325 nan 8.250 nan 0.000 0.472 249 F N 1.063 120.996 119.950 -0.029 0.000 2.557 249 F HA 0.099 4.626 4.527 0.000 0.000 0.336 249 F C 1.455 177.244 175.800 -0.018 0.000 1.058 249 F CA -1.686 56.307 58.000 -0.011 0.000 0.988 249 F CB 0.668 39.657 39.000 -0.020 0.000 1.275 249 F HN 0.591 nan 8.300 nan 0.000 0.488 250 D N -0.344 120.183 120.400 0.212 0.000 2.269 250 D HA -0.022 4.619 4.640 0.001 0.000 0.208 250 D C 0.092 176.446 176.300 0.091 0.000 0.963 250 D CA 0.965 55.030 54.000 0.109 0.000 0.864 250 D CB 0.259 41.102 40.800 0.072 0.000 0.936 250 D HN 0.702 nan 8.370 nan 0.000 0.505 251 K N -1.630 118.845 120.400 0.124 0.000 2.755 251 K HA 0.488 4.808 4.320 0.001 0.000 0.294 251 K C -1.885 174.785 176.600 0.117 0.000 1.060 251 K CA -0.980 55.360 56.287 0.088 0.000 0.845 251 K CB 0.539 33.077 32.500 0.063 0.000 1.539 251 K HN -0.015 nan 8.250 nan 0.000 0.379 252 L N 1.332 122.597 121.223 0.071 0.000 2.436 252 L HA 0.484 4.824 4.340 0.001 0.000 0.268 252 L C -0.994 175.898 176.870 0.038 0.000 0.974 252 L CA -0.673 54.206 54.840 0.065 0.000 0.826 252 L CB 2.421 44.492 42.059 0.021 0.000 1.291 252 L HN 0.795 nan 8.230 nan 0.000 0.406 253 S N 0.899 116.622 115.700 0.038 0.000 2.726 253 S HA 0.712 5.182 4.470 0.001 0.000 0.308 253 S C -0.112 174.501 174.600 0.022 0.000 1.115 253 S CA -0.657 57.563 58.200 0.034 0.000 0.965 253 S CB 1.874 65.099 63.200 0.042 0.000 1.145 253 S HN 0.702 nan 8.310 nan 0.000 0.532 254 A N 0.215 123.054 122.820 0.031 0.000 2.591 254 A HA 0.424 4.745 4.320 0.001 0.000 0.244 254 A C 1.503 179.102 177.584 0.026 0.000 1.031 254 A CA 0.835 52.891 52.037 0.031 0.000 0.767 254 A CB -1.417 17.617 19.000 0.057 0.000 0.942 254 A HN 1.912 nan 8.150 nan 0.000 0.514 255 G N 2.276 111.066 108.800 -0.016 0.000 2.254 255 G HA2 -0.192 3.768 3.960 0.001 0.000 0.225 255 G HA3 -0.192 3.768 3.960 0.001 0.000 0.225 255 G C 0.041 174.930 174.900 -0.018 0.000 1.003 255 G CA 0.293 45.392 45.100 -0.001 0.000 0.622 255 G HN 0.818 nan 8.290 nan 0.000 0.507 256 D N 0.263 120.638 120.400 -0.042 0.000 2.357 256 D HA 0.539 5.179 4.640 0.001 0.000 0.242 256 D C 0.297 176.370 176.300 -0.378 0.000 1.153 256 D CA 0.208 54.121 54.000 -0.145 0.000 0.918 256 D CB 1.876 42.664 40.800 -0.019 0.000 1.181 256 D HN 0.257 nan 8.370 nan 0.000 0.435 257 V N 0.338 119.793 119.914 -0.766 0.000 2.588 257 V HA 0.807 4.927 4.120 0.001 0.000 0.304 257 V C 0.715 176.701 176.094 -0.180 0.000 1.042 257 V CA -0.302 61.737 62.300 -0.436 0.000 0.877 257 V CB 1.619 33.135 31.823 -0.512 0.000 0.996 257 V HN 0.772 nan 8.190 nan 0.000 0.425 258 G N 3.167 111.988 108.800 0.036 0.000 2.529 258 G HA2 0.568 4.528 3.960 0.001 0.000 0.238 258 G HA3 0.568 4.528 3.960 0.001 0.000 0.238 258 G C -1.739 173.277 174.900 0.194 0.000 1.207 258 G CA -0.091 45.063 45.100 0.091 0.000 0.928 258 G HN 0.936 nan 8.290 nan 0.000 0.495 259 Y N -1.009 119.300 120.300 0.015 0.000 2.605 259 Y HA 0.882 5.432 4.550 0.001 0.000 0.343 259 Y C -0.985 174.818 175.900 -0.162 0.000 1.036 259 Y CA -1.877 56.148 58.100 -0.124 0.000 1.065 259 Y CB 1.601 39.928 38.460 -0.222 0.000 1.288 259 Y HN 0.521 nan 8.280 nan 0.000 0.481 260 I N 2.288 122.854 120.570 -0.006 0.000 2.569 260 I HA 0.737 4.907 4.170 0.001 0.000 0.290 260 I C -0.908 175.177 176.117 -0.053 0.000 1.088 260 I CA -1.210 60.051 61.300 -0.066 0.000 1.047 260 I CB 2.133 40.068 38.000 -0.108 0.000 1.237 260 I HN 0.955 nan 8.210 nan 0.000 0.421 261 A N 4.517 127.320 122.820 -0.029 0.000 2.355 261 A HA 0.950 5.270 4.320 0.001 0.000 0.324 261 A C -0.179 177.342 177.584 -0.105 0.000 1.117 261 A CA -0.389 51.585 52.037 -0.105 0.000 0.785 261 A CB 1.716 20.679 19.000 -0.062 0.000 1.254 261 A HN 0.927 nan 8.150 nan 0.000 0.453 262 A N 0.709 123.435 122.820 -0.156 0.000 3.241 262 A HA 0.540 4.860 4.320 0.001 0.000 0.198 262 A C 0.385 177.913 177.584 -0.093 0.000 1.003 262 A CA 0.491 52.467 52.037 -0.102 0.000 1.134 262 A CB -0.842 18.100 19.000 -0.097 0.000 1.289 262 A HN 1.872 nan 8.150 nan 0.000 0.623 263 S N -0.246 115.404 115.700 -0.085 0.000 3.614 263 S HA -0.174 4.297 4.470 0.001 0.000 0.360 263 S C 0.243 174.811 174.600 -0.054 0.000 1.023 263 S CA 1.193 59.371 58.200 -0.037 0.000 1.114 263 S CB -1.823 61.400 63.200 0.039 0.000 0.907 263 S HN 0.699 nan 8.310 nan 0.000 0.470 264 I N 1.204 121.642 120.570 -0.219 0.000 2.416 264 I HA 0.157 4.327 4.170 0.001 0.000 0.288 264 I C 1.517 177.592 176.117 -0.069 0.000 1.051 264 I CA -0.464 60.654 61.300 -0.303 0.000 1.375 264 I CB 0.798 38.475 38.000 -0.538 0.000 1.407 264 I HN 0.021 nan 8.210 nan 0.000 0.516 265 K N 4.935 125.353 120.400 0.031 0.000 2.026 265 K HA -0.122 4.198 4.320 0.001 0.000 0.208 265 K C 0.308 176.937 176.600 0.048 0.000 1.048 265 K CA 1.585 57.908 56.287 0.060 0.000 0.929 265 K CB 0.038 32.573 32.500 0.057 0.000 0.713 265 K HN 0.885 nan 8.250 nan 0.000 0.439 266 D N -2.511 117.895 120.400 0.011 0.000 2.599 266 D HA -0.029 4.611 4.640 0.001 0.000 0.252 266 D C 0.973 177.262 176.300 -0.018 0.000 1.232 266 D CA -0.107 53.880 54.000 -0.022 0.000 0.819 266 D CB 1.307 42.050 40.800 -0.094 0.000 1.401 266 D HN -0.144 nan 8.370 nan 0.000 0.429 267 V N -0.812 119.092 119.914 -0.017 0.000 2.982 267 V HA -0.152 3.969 4.120 0.001 0.000 0.265 267 V C 1.798 177.892 176.094 -0.001 0.000 1.122 267 V CA 1.145 63.432 62.300 -0.021 0.000 1.143 267 V CB -1.083 30.733 31.823 -0.011 0.000 0.726 267 V HN 0.485 nan 8.190 nan 0.000 0.507 268 R N 0.228 120.730 120.500 0.002 0.000 2.299 268 R HA 0.065 4.405 4.340 0.001 0.000 0.197 268 R C 1.422 177.751 176.300 0.048 0.000 0.971 268 R CA 0.841 56.959 56.100 0.030 0.000 1.030 268 R CB -0.141 30.168 30.300 0.015 0.000 0.932 268 R HN 0.555 nan 8.270 nan 0.000 0.477 269 D N 0.647 121.067 120.400 0.034 0.000 2.333 269 D HA 0.015 4.655 4.640 0.001 0.000 0.208 269 D C 0.869 177.192 176.300 0.039 0.000 0.984 269 D CA 0.754 54.793 54.000 0.065 0.000 0.873 269 D CB 0.478 41.340 40.800 0.104 0.000 0.935 269 D HN 0.333 nan 8.370 nan 0.000 0.521 270 I N -1.346 119.223 120.570 -0.002 0.000 2.954 270 I HA 0.360 4.531 4.170 0.001 0.000 0.312 270 I C -0.376 175.762 176.117 0.036 0.000 1.391 270 I CA -0.800 60.488 61.300 -0.021 0.000 0.906 270 I CB 0.359 38.295 38.000 -0.107 0.000 2.079 270 I HN -0.464 nan 8.210 nan 0.000 0.618 271 R N 2.038 122.603 120.500 0.109 0.000 2.570 271 R HA 0.359 4.699 4.340 0.001 0.000 0.277 271 R C -0.020 176.448 176.300 0.281 0.000 1.039 271 R CA -0.235 55.999 56.100 0.223 0.000 1.065 271 R CB 1.028 31.550 30.300 0.370 0.000 0.964 271 R HN 0.496 nan 8.270 nan 0.000 0.428 272 I N 2.006 122.744 120.570 0.279 0.000 2.752 272 I HA -0.130 4.040 4.170 0.001 0.000 0.289 272 I C 1.491 177.871 176.117 0.439 0.000 1.197 272 I CA 1.561 63.022 61.300 0.269 0.000 1.432 272 I CB 0.555 38.683 38.000 0.212 0.000 1.359 272 I HN 1.016 nan 8.210 nan 0.000 0.571 273 G N 3.715 112.719 108.800 0.341 0.000 2.213 273 G HA2 -0.228 3.732 3.960 0.001 0.000 0.236 273 G HA3 -0.228 3.732 3.960 0.001 0.000 0.236 273 G C 0.116 175.312 174.900 0.493 0.000 0.991 273 G CA -0.060 45.313 45.100 0.455 0.000 0.629 273 G HN 0.607 nan 8.290 nan 0.000 0.517 274 D N 0.785 121.365 120.400 0.300 0.000 2.358 274 D HA 0.604 5.244 4.640 0.001 0.000 0.244 274 D C 0.294 176.595 176.300 0.002 0.000 1.163 274 D CA 0.531 54.479 54.000 -0.086 0.000 0.945 274 D CB 0.930 41.593 40.800 -0.229 0.000 1.152 274 D HN 0.048 nan 8.370 nan 0.000 0.451 275 T N 1.742 116.261 114.554 -0.058 0.000 2.823 275 T HA 0.497 4.847 4.350 0.001 0.000 0.279 275 T C 0.100 174.792 174.700 -0.013 0.000 0.998 275 T CA -0.518 61.587 62.100 0.009 0.000 0.994 275 T CB 0.692 69.570 68.868 0.018 0.000 0.960 275 T HN 0.186 nan 8.240 nan 0.000 0.448 276 I N 2.434 123.006 120.570 0.003 0.000 2.354 276 I HA 0.475 4.646 4.170 0.001 0.000 0.292 276 I C 0.561 176.654 176.117 -0.040 0.000 0.989 276 I CA -0.331 60.958 61.300 -0.018 0.000 1.188 276 I CB 1.825 39.808 38.000 -0.029 0.000 1.342 276 I HN 0.559 nan 8.210 nan 0.000 0.457 277 T N 3.852 118.377 114.554 -0.048 0.000 2.693 277 T HA 0.435 4.786 4.350 0.001 0.000 0.278 277 T C -0.856 173.792 174.700 -0.087 0.000 0.994 277 T CA -0.500 61.549 62.100 -0.086 0.000 1.033 277 T CB 1.023 69.879 68.868 -0.019 0.000 1.342 277 T HN 0.535 nan 8.240 nan 0.000 0.538 278 H N 0.098 119.183 119.070 0.026 0.000 2.502 278 H HA 0.560 5.117 4.556 0.001 0.000 0.327 278 H C 1.192 176.528 175.328 0.014 0.000 1.099 278 H CA -0.193 55.868 56.048 0.021 0.000 1.323 278 H CB 1.571 31.345 29.762 0.020 0.000 1.450 278 H HN 0.729 nan 8.280 nan 0.000 0.502 279 A N 3.693 126.607 122.820 0.156 0.000 1.883 279 A HA -0.206 4.115 4.320 0.001 0.000 0.217 279 A C 2.096 179.710 177.584 0.051 0.000 1.186 279 A CA 1.803 53.883 52.037 0.071 0.000 0.624 279 A CB -0.268 18.759 19.000 0.044 0.000 0.822 279 A HN 0.752 nan 8.150 nan 0.000 0.444 280 K N -1.221 119.206 120.400 0.045 0.000 2.098 280 K HA -0.061 4.259 4.320 0.001 0.000 0.203 280 K C 0.319 176.938 176.600 0.031 0.000 1.051 280 K CA 1.059 57.357 56.287 0.019 0.000 0.957 280 K CB 0.018 32.512 32.500 -0.010 0.000 0.738 280 K HN 0.415 nan 8.250 nan 0.000 0.447 281 N N 1.675 120.410 118.700 0.058 0.000 3.012 281 N HA 0.194 4.934 4.740 0.001 0.000 0.270 281 N C -2.794 172.781 175.510 0.108 0.000 1.469 281 N CA -2.250 50.841 53.050 0.069 0.000 0.928 281 N CB 1.122 39.642 38.487 0.056 0.000 1.219 281 N HN 0.007 nan 8.380 nan 0.000 0.492 282 P HA 0.063 nan 4.420 nan 0.000 0.271 282 P C 0.198 177.527 177.300 0.048 0.000 1.216 282 P CA -0.124 63.013 63.100 0.063 0.000 0.776 282 P CB 1.066 32.790 31.700 0.040 0.000 0.881 283 T N 1.653 116.231 114.554 0.039 0.000 2.856 283 T HA 0.031 4.382 4.350 0.001 0.000 0.306 283 T C 1.514 176.228 174.700 0.024 0.000 1.062 283 T CA 0.076 62.196 62.100 0.033 0.000 1.083 283 T CB 0.217 69.102 68.868 0.028 0.000 0.984 283 T HN 0.286 nan 8.240 nan 0.000 0.542 284 K N 1.253 121.666 120.400 0.021 0.000 2.002 284 K HA 0.032 4.352 4.320 0.001 0.000 0.209 284 K C 0.687 177.293 176.600 0.011 0.000 1.048 284 K CA 1.404 57.700 56.287 0.016 0.000 0.930 284 K CB 0.064 32.573 32.500 0.014 0.000 0.714 284 K HN 0.643 nan 8.250 nan 0.000 0.438 285 E N -0.162 120.043 120.200 0.008 0.000 2.343 285 E HA 0.302 4.652 4.350 0.001 0.000 0.270 285 E C -2.673 173.929 176.600 0.003 0.000 0.895 285 E CA -2.448 53.956 56.400 0.006 0.000 0.767 285 E CB 2.194 31.895 29.700 0.002 0.000 1.248 285 E HN -0.063 nan 8.360 nan 0.000 0.440 286 P HA 0.116 nan 4.420 nan 0.000 0.278 286 P C -0.186 177.120 177.300 0.010 0.000 1.266 286 P CA -0.499 62.607 63.100 0.010 0.000 0.807 286 P CB 0.737 32.440 31.700 0.005 0.000 1.094 287 V N 2.989 122.914 119.914 0.019 0.000 2.673 287 V HA 0.050 4.171 4.120 0.001 0.000 0.303 287 V C -1.339 174.782 176.094 0.045 0.000 1.046 287 V CA -0.616 61.677 62.300 -0.012 0.000 1.126 287 V CB -0.467 31.380 31.823 0.039 0.000 0.934 287 V HN 0.653 nan 8.190 nan 0.000 0.487 288 P HA 0.335 nan 4.420 nan 0.000 0.274 288 P C 0.604 177.976 177.300 0.120 0.000 1.237 288 P CA 0.566 63.708 63.100 0.070 0.000 0.793 288 P CB 1.175 32.895 31.700 0.033 0.000 0.977 289 G N 0.157 109.053 108.800 0.161 0.000 2.163 289 G HA2 -0.228 3.733 3.960 0.001 0.000 0.213 289 G HA3 -0.228 3.733 3.960 0.001 0.000 0.213 289 G C -0.252 174.837 174.900 0.315 0.000 0.991 289 G CA -0.371 44.850 45.100 0.202 0.000 0.653 289 G HN 0.549 nan 8.290 nan 0.000 0.518 290 F N 2.344 122.401 119.950 0.177 0.000 2.529 290 F HA 0.611 5.138 4.527 0.001 0.000 0.365 290 F C 0.247 176.130 175.800 0.137 0.000 1.102 290 F CA -0.084 58.043 58.000 0.211 0.000 1.271 290 F CB 0.772 39.853 39.000 0.136 0.000 1.120 290 F HN 0.161 nan 8.300 nan 0.000 0.579 291 Q N 7.610 126.793 119.800 -1.029 0.000 2.284 291 Q HA 0.303 4.643 4.340 0.001 0.000 0.269 291 Q C -2.635 172.613 176.000 -1.254 0.000 1.026 291 Q CA -1.783 53.367 55.803 -1.088 0.000 0.831 291 Q CB 2.309 30.536 28.738 -0.851 0.000 1.322 291 Q HN 0.437 nan 8.270 nan 0.000 0.419 292 P HA 0.163 nan 4.420 nan 0.000 0.273 292 P C -0.595 176.493 177.300 -0.354 0.000 1.250 292 P CA -0.257 62.578 63.100 -0.440 0.000 0.793 292 P CB 0.574 32.161 31.700 -0.189 0.000 1.011 293 A N 1.565 124.289 122.820 -0.160 0.000 2.531 293 A HA 0.098 4.419 4.320 0.001 0.000 0.236 293 A C 0.490 178.011 177.584 -0.105 0.000 1.062 293 A CA 0.230 52.207 52.037 -0.100 0.000 0.760 293 A CB -0.493 18.509 19.000 0.003 0.000 0.995 293 A HN 0.559 nan 8.150 nan 0.000 0.501 294 K N 3.601 123.943 120.400 -0.097 0.000 2.579 294 K HA 0.405 4.726 4.320 0.001 0.000 0.225 294 K C -2.883 173.698 176.600 -0.032 0.000 0.992 294 K CA -1.698 54.542 56.287 -0.078 0.000 1.018 294 K CB 0.867 33.288 32.500 -0.131 0.000 1.249 294 K HN 0.409 nan 8.250 nan 0.000 0.489 295 P HA 0.019 nan 4.420 nan 0.000 0.266 295 P C 0.109 177.435 177.300 0.043 0.000 1.195 295 P CA -0.019 63.072 63.100 -0.015 0.000 0.768 295 P CB 0.621 32.262 31.700 -0.098 0.000 0.838 296 M N 0.749 120.373 119.600 0.039 0.000 2.260 296 M HA 0.145 4.625 4.480 0.001 0.000 0.295 296 M C -0.335 176.046 176.300 0.134 0.000 1.042 296 M CA 0.615 55.955 55.300 0.068 0.000 1.116 296 M CB 0.680 33.290 32.600 0.017 0.000 1.796 296 M HN 0.010 nan 8.290 nan 0.000 0.617 297 V N 0.561 120.549 119.914 0.123 0.000 2.577 297 V HA 0.425 4.545 4.120 0.001 0.000 0.303 297 V C -1.386 174.816 176.094 0.181 0.000 1.042 297 V CA -0.815 61.599 62.300 0.190 0.000 0.872 297 V CB 2.008 33.923 31.823 0.153 0.000 0.998 297 V HN 0.170 nan 8.190 nan 0.000 0.423 298 Y N 2.026 122.424 120.300 0.162 0.000 2.528 298 Y HA 0.879 5.429 4.550 0.001 0.000 0.335 298 Y C 0.380 176.408 175.900 0.213 0.000 1.093 298 Y CA -0.553 57.644 58.100 0.161 0.000 1.134 298 Y CB 2.343 40.859 38.460 0.092 0.000 1.253 298 Y HN 0.807 nan 8.280 nan 0.000 0.478 299 A N 0.369 123.418 122.820 0.380 0.000 2.604 299 A HA 0.679 5.000 4.320 0.001 0.000 0.295 299 A C -0.936 176.805 177.584 0.260 0.000 1.067 299 A CA -0.362 51.861 52.037 0.310 0.000 0.683 299 A CB 0.859 20.039 19.000 0.300 0.000 1.281 299 A HN 0.898 nan 8.150 nan 0.000 0.407 300 G N 0.275 109.214 108.800 0.232 0.000 2.338 300 G HA2 0.566 4.526 3.960 0.001 0.000 0.298 300 G HA3 0.566 4.526 3.960 0.001 0.000 0.298 300 G C -0.573 174.401 174.900 0.123 0.000 1.140 300 G CA -0.327 44.874 45.100 0.168 0.000 0.860 300 G HN 0.639 nan 8.290 nan 0.000 0.470 301 I N 1.873 122.408 120.570 -0.059 0.000 2.389 301 I HA 0.337 4.507 4.170 0.001 0.000 0.288 301 I C -1.017 174.992 176.117 -0.180 0.000 0.999 301 I CA -0.679 60.622 61.300 0.002 0.000 1.129 301 I CB 1.594 39.624 38.000 0.050 0.000 1.288 301 I HN 0.381 nan 8.210 nan 0.000 0.444 302 Y N 6.519 126.895 120.300 0.127 0.000 2.524 302 Y HA 0.473 5.023 4.550 0.000 0.000 0.344 302 Y C -2.249 173.712 175.900 0.102 0.000 1.012 302 Y CA -2.596 55.577 58.100 0.123 0.000 1.068 302 Y CB 1.724 40.234 38.460 0.083 0.000 1.249 302 Y HN 0.346 nan 8.280 nan 0.000 0.468 303 P HA 0.280 nan 4.420 nan 0.000 0.271 303 P C -1.080 176.304 177.300 0.141 0.000 1.216 303 P CA 0.079 63.281 63.100 0.170 0.000 0.776 303 P CB 1.396 33.199 31.700 0.171 0.000 0.881 304 A N 2.048 124.925 122.820 0.095 0.000 2.387 304 A HA 0.572 4.893 4.320 0.001 0.000 0.303 304 A C 0.308 177.922 177.584 0.049 0.000 1.145 304 A CA -0.505 51.573 52.037 0.068 0.000 0.801 304 A CB 0.633 19.668 19.000 0.058 0.000 1.342 304 A HN 0.626 nan 8.150 nan 0.000 0.440 305 E N -0.628 119.593 120.200 0.036 0.000 3.289 305 E HA -0.279 4.072 4.350 0.001 0.000 0.386 305 E C 0.130 176.748 176.600 0.030 0.000 1.526 305 E CA 1.830 58.246 56.400 0.027 0.000 1.519 305 E CB -0.905 28.809 29.700 0.023 0.000 1.657 305 E HN 0.816 nan 8.360 nan 0.000 0.479 306 D N 0.592 121.009 120.400 0.029 0.000 2.289 306 D HA -0.010 4.631 4.640 0.001 0.000 0.207 306 D C 0.458 176.781 176.300 0.039 0.000 0.966 306 D CA 0.753 54.770 54.000 0.030 0.000 0.868 306 D CB -0.203 40.611 40.800 0.024 0.000 0.943 306 D HN 0.142 nan 8.370 nan 0.000 0.514 307 T N 1.956 116.536 114.554 0.043 0.000 2.908 307 T HA 0.143 4.494 4.350 0.001 0.000 0.301 307 T C 0.866 175.608 174.700 0.070 0.000 1.019 307 T CA 0.256 62.386 62.100 0.051 0.000 1.152 307 T CB 0.944 69.842 68.868 0.050 0.000 0.966 307 T HN 0.211 nan 8.240 nan 0.000 0.540 308 T N 0.891 115.488 114.554 0.073 0.000 2.897 308 T HA 0.332 4.683 4.350 0.001 0.000 0.278 308 T C 1.007 175.794 174.700 0.145 0.000 0.981 308 T CA -0.881 61.283 62.100 0.107 0.000 0.973 308 T CB 0.649 69.573 68.868 0.094 0.000 1.092 308 T HN 0.514 nan 8.240 nan 0.000 0.543 309 Y N 1.035 121.367 120.300 0.054 0.000 2.145 309 Y HA -0.075 4.475 4.550 0.000 0.000 0.286 309 Y C 2.500 178.457 175.900 0.095 0.000 1.145 309 Y CA 2.003 60.145 58.100 0.070 0.000 1.148 309 Y CB -0.387 38.088 38.460 0.024 0.000 0.981 309 Y HN 0.686 nan 8.280 nan 0.000 0.507 310 E N 0.658 120.920 120.200 0.103 0.000 2.097 310 E HA -0.247 4.104 4.350 0.001 0.000 0.196 310 E C 2.002 178.567 176.600 -0.058 0.000 1.000 310 E CA 1.922 58.326 56.400 0.007 0.000 0.804 310 E CB -0.371 29.371 29.700 0.070 0.000 0.740 310 E HN 0.713 nan 8.360 nan 0.000 0.454 311 E N 0.420 120.607 120.200 -0.022 0.000 2.072 311 E HA -0.158 4.192 4.350 0.001 0.000 0.191 311 E C 2.179 178.721 176.600 -0.097 0.000 0.985 311 E CA 0.546 56.922 56.400 -0.039 0.000 0.801 311 E CB -0.150 29.551 29.700 0.003 0.000 0.750 311 E HN 0.047 nan 8.360 nan 0.000 0.452 312 L N 1.525 122.693 121.223 -0.091 0.000 2.017 312 L HA -0.165 4.175 4.340 0.001 0.000 0.208 312 L C 2.416 179.097 176.870 -0.314 0.000 1.073 312 L CA 1.782 56.538 54.840 -0.140 0.000 0.745 312 L CB -0.378 41.671 42.059 -0.017 0.000 0.894 312 L HN -0.080 nan 8.230 nan 0.000 0.432 313 R N -0.562 119.756 120.500 -0.304 0.000 2.083 313 R HA -0.240 4.101 4.340 0.001 0.000 0.237 313 R C 2.146 178.222 176.300 -0.374 0.000 1.137 313 R CA 2.054 57.904 56.100 -0.418 0.000 0.951 313 R CB -0.551 29.631 30.300 -0.196 0.000 0.851 313 R HN 0.561 nan 8.270 nan 0.000 0.434 314 D N -0.288 119.961 120.400 -0.252 0.000 2.123 314 D HA -0.150 4.491 4.640 0.001 0.000 0.196 314 D C 1.729 177.818 176.300 -0.353 0.000 0.992 314 D CA 1.719 55.585 54.000 -0.224 0.000 0.833 314 D CB -0.072 40.644 40.800 -0.140 0.000 0.954 314 D HN 0.398 nan 8.370 nan 0.000 0.455 315 A N 0.010 122.580 122.820 -0.417 0.000 1.877 315 A HA -0.098 4.223 4.320 0.001 0.000 0.216 315 A C 2.423 179.613 177.584 -0.657 0.000 1.186 315 A CA 1.150 52.783 52.037 -0.672 0.000 0.620 315 A CB -0.903 17.853 19.000 -0.407 0.000 0.822 315 A HN 0.374 nan 8.150 nan 0.000 0.443 316 L N -0.622 120.253 121.223 -0.580 0.000 2.083 316 L HA -0.213 4.127 4.340 0.001 0.000 0.209 316 L C 2.613 179.257 176.870 -0.377 0.000 1.083 316 L CA 1.602 56.069 54.840 -0.620 0.000 0.752 316 L CB -0.520 40.781 42.059 -1.264 0.000 0.899 316 L HN 0.503 nan 8.230 nan 0.000 0.433 317 E N 0.024 120.028 120.200 -0.327 0.000 2.072 317 E HA -0.227 4.123 4.350 0.001 0.000 0.191 317 E C 2.167 178.679 176.600 -0.148 0.000 0.985 317 E CA 1.107 57.427 56.400 -0.134 0.000 0.801 317 E CB -0.010 29.619 29.700 -0.118 0.000 0.750 317 E HN 0.438 nan 8.360 nan 0.000 0.452 318 K N 0.207 120.460 120.400 -0.245 0.000 2.025 318 K HA -0.176 4.144 4.320 0.001 0.000 0.207 318 K C 2.161 178.712 176.600 -0.083 0.000 1.049 318 K CA 1.284 57.458 56.287 -0.190 0.000 0.933 318 K CB -0.296 32.031 32.500 -0.287 0.000 0.714 318 K HN 0.129 nan 8.250 nan 0.000 0.438 319 Y N 1.665 121.838 120.300 -0.212 0.000 2.128 319 Y HA -0.265 4.285 4.550 0.001 0.000 0.284 319 Y C 2.210 178.117 175.900 0.012 0.000 1.154 319 Y CA 1.507 59.610 58.100 0.004 0.000 1.149 319 Y CB -0.503 37.947 38.460 -0.016 0.000 0.976 319 Y HN 0.053 nan 8.280 nan 0.000 0.505 320 A N 0.522 123.332 122.820 -0.016 0.000 2.032 320 A HA -0.224 4.097 4.320 0.001 0.000 0.221 320 A C 2.244 179.738 177.584 -0.150 0.000 1.165 320 A CA 2.013 54.034 52.037 -0.026 0.000 0.645 320 A CB -1.333 17.750 19.000 0.140 0.000 0.807 320 A HN 0.651 nan 8.150 nan 0.000 0.453 321 I N 0.115 120.573 120.570 -0.187 0.000 2.454 321 I HA -0.219 3.951 4.170 0.001 0.000 0.254 321 I C 1.073 177.069 176.117 -0.201 0.000 1.156 321 I CA 1.066 62.212 61.300 -0.256 0.000 1.433 321 I CB -0.242 37.552 38.000 -0.343 0.000 1.082 321 I HN 0.378 nan 8.210 nan 0.000 0.432 322 N N -0.132 118.437 118.700 -0.218 0.000 2.214 322 N HA 0.048 4.789 4.740 0.001 0.000 0.214 322 N C -0.204 175.180 175.510 -0.210 0.000 1.132 322 N CA 0.274 53.233 53.050 -0.153 0.000 0.856 322 N CB 0.620 39.029 38.487 -0.129 0.000 1.020 322 N HN 0.201 nan 8.380 nan 0.000 0.509 323 D N 0.361 120.619 120.400 -0.237 0.000 2.402 323 D HA 0.317 4.958 4.640 0.001 0.000 0.252 323 D C 0.161 176.465 176.300 0.007 0.000 1.294 323 D CA -0.469 53.473 54.000 -0.096 0.000 0.948 323 D CB 1.508 42.255 40.800 -0.089 0.000 1.202 323 D HN 0.016 nan 8.370 nan 0.000 0.561 324 A N 2.603 125.441 122.820 0.031 0.000 2.168 324 A HA 0.231 4.551 4.320 0.001 0.000 0.215 324 A C 1.702 179.328 177.584 0.071 0.000 1.152 324 A CA 1.344 53.406 52.037 0.043 0.000 0.716 324 A CB 0.134 19.164 19.000 0.050 0.000 0.794 324 A HN 0.514 nan 8.150 nan 0.000 0.465 325 A N -0.693 122.194 122.820 0.112 0.000 2.063 325 A HA 0.375 4.695 4.320 0.001 0.000 0.211 325 A C 0.988 178.671 177.584 0.165 0.000 1.177 325 A CA -0.095 52.019 52.037 0.128 0.000 0.759 325 A CB -0.225 18.845 19.000 0.116 0.000 0.857 325 A HN 0.492 nan 8.150 nan 0.000 0.468 326 I N 1.949 122.668 120.570 0.247 0.000 2.752 326 I HA 0.264 4.434 4.170 0.001 0.000 0.287 326 I C -0.279 175.851 176.117 0.022 0.000 1.188 326 I CA -0.168 61.229 61.300 0.161 0.000 1.427 326 I CB 1.142 39.300 38.000 0.264 0.000 1.365 326 I HN 0.220 nan 8.210 nan 0.000 0.585 327 V N 5.378 125.234 119.914 -0.098 0.000 2.962 327 V HA 0.759 4.879 4.120 0.001 0.000 0.313 327 V C -1.306 174.745 176.094 -0.073 0.000 1.099 327 V CA -0.585 61.641 62.300 -0.124 0.000 0.971 327 V CB 1.614 33.389 31.823 -0.078 0.000 1.028 327 V HN 0.833 nan 8.190 nan 0.000 0.430 328 Y N 0.239 120.498 120.300 -0.068 0.000 2.620 328 Y HA 0.848 5.398 4.550 0.001 0.000 0.331 328 Y C -1.104 174.851 175.900 0.092 0.000 1.173 328 Y CA -0.792 57.291 58.100 -0.028 0.000 1.076 328 Y CB 1.107 39.477 38.460 -0.151 0.000 1.336 328 Y HN 1.062 nan 8.280 nan 0.000 0.459 329 E N 1.459 121.903 120.200 0.406 0.000 2.390 329 E HA 0.657 5.008 4.350 0.001 0.000 0.277 329 E C -3.400 173.432 176.600 0.387 0.000 0.939 329 E CA -2.618 53.989 56.400 0.344 0.000 0.769 329 E CB 3.114 32.904 29.700 0.151 0.000 1.251 329 E HN 0.321 nan 8.360 nan 0.000 0.450 330 P HA 0.066 nan 4.420 nan 0.000 0.271 330 P C -1.125 176.143 177.300 -0.053 0.000 1.216 330 P CA 0.212 63.265 63.100 -0.078 0.000 0.776 330 P CB 0.512 32.202 31.700 -0.016 0.000 0.881 331 E N 0.602 120.724 120.200 -0.131 0.000 2.433 331 E HA 0.716 5.067 4.350 0.001 0.000 0.278 331 E C -1.523 175.071 176.600 -0.009 0.000 0.976 331 E CA -1.007 55.373 56.400 -0.033 0.000 0.793 331 E CB 1.586 31.304 29.700 0.030 0.000 1.311 331 E HN 0.287 nan 8.360 nan 0.000 0.460 332 S N 0.390 116.132 115.700 0.070 0.000 2.564 332 S HA 0.722 5.192 4.470 0.001 0.000 0.274 332 S C -1.042 173.631 174.600 0.122 0.000 1.124 332 S CA -0.792 57.474 58.200 0.110 0.000 0.869 332 S CB 1.808 65.004 63.200 -0.007 0.000 1.105 332 S HN 0.530 nan 8.310 nan 0.000 0.472 333 S N 1.049 116.795 115.700 0.076 0.000 2.570 333 S HA 0.683 5.153 4.470 0.001 0.000 0.286 333 S C -1.995 172.575 174.600 -0.050 0.000 1.099 333 S CA -1.956 56.235 58.200 -0.015 0.000 0.913 333 S CB 1.587 64.700 63.200 -0.144 0.000 1.085 333 S HN 0.662 nan 8.310 nan 0.000 0.480 334 P HA 0.037 nan 4.420 nan 0.000 0.220 334 P C 0.830 178.094 177.300 -0.059 0.000 1.148 334 P CA 1.016 64.091 63.100 -0.043 0.000 0.803 334 P CB 0.133 31.815 31.700 -0.030 0.000 0.782 335 A N -0.369 122.401 122.820 -0.084 0.000 1.942 335 A HA 0.155 4.475 4.320 0.001 0.000 0.209 335 A C 2.275 179.779 177.584 -0.133 0.000 1.214 335 A CA 0.295 52.277 52.037 -0.092 0.000 0.686 335 A CB -0.997 17.954 19.000 -0.083 0.000 0.871 335 A HN 0.074 nan 8.150 nan 0.000 0.460 336 L N -0.871 120.211 121.223 -0.234 0.000 2.341 336 L HA 0.257 4.597 4.340 0.001 0.000 0.214 336 L C 1.612 178.356 176.870 -0.210 0.000 1.115 336 L CA 0.515 55.139 54.840 -0.360 0.000 0.820 336 L CB -0.831 40.679 42.059 -0.914 0.000 0.944 336 L HN 0.635 nan 8.230 nan 0.000 0.452 337 G N 0.450 109.180 108.800 -0.118 0.000 2.499 337 G HA2 -0.277 3.683 3.960 0.001 0.000 0.232 337 G HA3 -0.277 3.683 3.960 0.001 0.000 0.232 337 G C -0.274 174.684 174.900 0.097 0.000 1.251 337 G CA -0.429 44.661 45.100 -0.017 0.000 0.917 337 G HN 0.012 nan 8.290 nan 0.000 0.580 338 M N 1.601 121.221 119.600 0.034 0.000 2.233 338 M HA 0.570 5.050 4.480 0.001 0.000 0.355 338 M C 0.943 177.316 176.300 0.121 0.000 1.191 338 M CA 0.702 55.951 55.300 -0.085 0.000 1.101 338 M CB 1.323 33.525 32.600 -0.664 0.000 1.592 338 M HN 1.221 nan 8.290 nan 0.000 0.461 339 G N 2.021 110.754 108.800 -0.111 0.000 2.896 339 G HA2 0.771 4.731 3.960 0.001 0.000 0.247 339 G HA3 0.771 4.731 3.960 0.001 0.000 0.247 339 G C -1.877 172.600 174.900 -0.705 0.000 1.187 339 G CA -0.447 44.376 45.100 -0.461 0.000 0.837 339 G HN 0.523 nan 8.290 nan 0.000 0.559 340 F N -0.608 119.132 119.950 -0.350 0.000 2.591 340 F HA 0.664 5.192 4.527 0.000 0.000 0.309 340 F C -0.149 175.580 175.800 -0.119 0.000 1.098 340 F CA -0.831 57.088 58.000 -0.135 0.000 0.937 340 F CB 2.610 41.536 39.000 -0.123 0.000 1.250 340 F HN 0.349 nan 8.300 nan 0.000 0.447 341 R N 2.175 122.791 120.500 0.194 0.000 2.198 341 R HA 0.681 5.022 4.340 0.001 0.000 0.339 341 R C -1.874 174.557 176.300 0.219 0.000 1.020 341 R CA -0.378 55.837 56.100 0.192 0.000 0.864 341 R CB 0.469 30.880 30.300 0.185 0.000 1.105 341 R HN 0.464 nan 8.270 nan 0.000 0.463 342 V N 3.640 123.605 119.914 0.085 0.000 2.483 342 V HA 0.684 4.805 4.120 0.001 0.000 0.295 342 V C 0.636 176.325 176.094 -0.676 0.000 1.035 342 V CA -0.727 61.422 62.300 -0.252 0.000 0.896 342 V CB 1.888 33.438 31.823 -0.456 0.000 0.986 342 V HN 0.855 nan 8.190 nan 0.000 0.447 343 G N 2.999 111.227 108.800 -0.954 0.000 2.372 343 G HA2 0.704 4.664 3.960 0.001 0.000 0.323 343 G HA3 0.704 4.664 3.960 0.001 0.000 0.323 343 G C -1.247 173.017 174.900 -1.060 0.000 1.152 343 G CA -0.213 43.960 45.100 -1.544 0.000 0.906 343 G HN 0.378 nan 8.290 nan 0.000 0.460 344 F N 0.347 120.061 119.950 -0.394 0.000 2.598 344 F HA 0.423 4.950 4.527 0.001 0.000 0.327 344 F C 1.234 177.069 175.800 0.059 0.000 1.057 344 F CA -1.052 56.886 58.000 -0.104 0.000 0.957 344 F CB 1.945 40.820 39.000 -0.209 0.000 1.278 344 F HN 0.227 nan 8.300 nan 0.000 0.484 345 L N 0.943 122.497 121.223 0.552 0.000 2.478 345 L HA 0.300 4.641 4.340 0.001 0.000 0.223 345 L C 0.870 177.798 176.870 0.096 0.000 1.140 345 L CA 0.697 55.647 54.840 0.183 0.000 0.842 345 L CB -0.672 41.386 42.059 -0.003 0.000 0.953 345 L HN 0.846 nan 8.230 nan 0.000 0.452 346 G N -1.801 107.084 108.800 0.142 0.000 2.317 346 G HA2 0.129 4.089 3.960 0.001 0.000 0.293 346 G HA3 0.129 4.089 3.960 0.001 0.000 0.293 346 G C -0.106 174.786 174.900 -0.014 0.000 1.287 346 G CA -0.764 44.380 45.100 0.073 0.000 0.850 346 G HN -0.154 nan 8.290 nan 0.000 0.515 347 L N -0.171 121.039 121.223 -0.021 0.000 2.093 347 L HA 0.020 4.360 4.340 0.001 0.000 0.208 347 L C 2.817 179.554 176.870 -0.221 0.000 1.085 347 L CA 1.158 55.931 54.840 -0.112 0.000 0.755 347 L CB -0.329 41.716 42.059 -0.024 0.000 0.904 347 L HN 0.449 nan 8.230 nan 0.000 0.435 348 L N -0.720 120.309 121.223 -0.323 0.000 2.072 348 L HA -0.225 4.116 4.340 0.001 0.000 0.205 348 L C 2.586 179.366 176.870 -0.149 0.000 1.079 348 L CA 1.749 56.367 54.840 -0.371 0.000 0.752 348 L CB -0.800 40.774 42.059 -0.809 0.000 0.906 348 L HN 0.244 nan 8.230 nan 0.000 0.436 349 H N -1.010 117.922 119.070 -0.230 0.000 2.387 349 H HA -0.252 4.305 4.556 0.000 0.000 0.299 349 H C 2.205 177.438 175.328 -0.158 0.000 1.099 349 H CA 2.018 58.069 56.048 0.004 0.000 1.315 349 H CB 0.129 29.926 29.762 0.058 0.000 1.380 349 H HN 0.455 nan 8.280 nan 0.000 0.513 350 M N 0.530 119.796 119.600 -0.557 0.000 2.099 350 M HA -0.175 4.305 4.480 0.001 0.000 0.262 350 M C 2.435 178.347 176.300 -0.646 0.000 1.067 350 M CA 1.984 56.535 55.300 -1.248 0.000 1.124 350 M CB -0.110 31.754 32.600 -1.226 0.000 1.353 350 M HN 0.345 nan 8.290 nan 0.000 0.410 351 E N 0.564 120.540 120.200 -0.374 0.000 2.058 351 E HA -0.232 4.118 4.350 0.001 0.000 0.194 351 E C 1.864 178.368 176.600 -0.159 0.000 0.997 351 E CA 1.898 58.160 56.400 -0.229 0.000 0.801 351 E CB -0.285 29.314 29.700 -0.169 0.000 0.746 351 E HN 0.670 nan 8.360 nan 0.000 0.450 352 I N 0.523 121.039 120.570 -0.090 0.000 2.179 352 I HA -0.273 3.897 4.170 0.001 0.000 0.242 352 I C 2.442 178.530 176.117 -0.049 0.000 1.088 352 I CA 0.821 62.127 61.300 0.011 0.000 1.357 352 I CB -0.204 37.903 38.000 0.178 0.000 1.051 352 I HN 0.080 nan 8.210 nan 0.000 0.409 353 V N 0.351 120.167 119.914 -0.162 0.000 2.295 353 V HA -0.309 3.812 4.120 0.001 0.000 0.246 353 V C 2.409 178.318 176.094 -0.308 0.000 1.049 353 V CA 1.807 63.883 62.300 -0.374 0.000 1.024 353 V CB -0.774 30.856 31.823 -0.322 0.000 0.648 353 V HN 0.460 nan 8.190 nan 0.000 0.447 354 Q N -0.154 119.502 119.800 -0.240 0.000 2.030 354 Q HA -0.254 4.086 4.340 0.001 0.000 0.204 354 Q C 2.342 178.277 176.000 -0.109 0.000 0.986 354 Q CA 2.151 57.855 55.803 -0.164 0.000 0.843 354 Q CB -0.241 28.400 28.738 -0.162 0.000 0.904 354 Q HN 0.707 nan 8.270 nan 0.000 0.420 355 E N 0.203 120.347 120.200 -0.093 0.000 2.110 355 E HA -0.209 4.141 4.350 0.001 0.000 0.193 355 E C 2.030 178.607 176.600 -0.037 0.000 0.988 355 E CA 0.724 57.092 56.400 -0.055 0.000 0.804 355 E CB -0.138 29.537 29.700 -0.043 0.000 0.745 355 E HN 0.206 nan 8.360 nan 0.000 0.458 356 R N 0.787 121.267 120.500 -0.034 0.000 2.115 356 R HA -0.040 4.300 4.340 0.001 0.000 0.226 356 R C 2.308 178.636 176.300 0.047 0.000 1.100 356 R CA 0.484 56.595 56.100 0.017 0.000 0.980 356 R CB 0.026 30.400 30.300 0.124 0.000 0.875 356 R HN 0.138 nan 8.270 nan 0.000 0.445 357 L N 0.298 121.530 121.223 0.015 0.000 2.056 357 L HA -0.137 4.203 4.340 0.001 0.000 0.207 357 L C 2.113 179.044 176.870 0.101 0.000 1.078 357 L CA 1.530 56.441 54.840 0.119 0.000 0.749 357 L CB -0.310 41.723 42.059 -0.042 0.000 0.901 357 L HN 0.261 nan 8.230 nan 0.000 0.433 358 E N -0.416 119.795 120.200 0.019 0.000 2.072 358 E HA -0.202 4.148 4.350 0.001 0.000 0.190 358 E C 2.236 178.832 176.600 -0.006 0.000 0.982 358 E CA 0.709 57.114 56.400 0.009 0.000 0.803 358 E CB -0.020 29.674 29.700 -0.010 0.000 0.755 358 E HN 0.324 nan 8.360 nan 0.000 0.453 359 R N 1.106 121.589 120.500 -0.028 0.000 2.052 359 R HA -0.132 4.208 4.340 0.001 0.000 0.226 359 R C 2.109 178.341 176.300 -0.113 0.000 1.145 359 R CA 1.432 57.499 56.100 -0.055 0.000 0.952 359 R CB 0.030 30.300 30.300 -0.050 0.000 0.847 359 R HN -0.020 nan 8.270 nan 0.000 0.431 360 E N -0.866 119.214 120.200 -0.200 0.000 2.106 360 E HA -0.149 4.202 4.350 0.001 0.000 0.192 360 E C 0.844 177.054 176.600 -0.650 0.000 0.984 360 E CA 1.396 57.509 56.400 -0.480 0.000 0.806 360 E CB 0.134 29.396 29.700 -0.729 0.000 0.750 360 E HN 0.441 nan 8.360 nan 0.000 0.458 361 Y N -1.743 118.557 120.300 -0.001 0.000 2.481 361 Y HA 0.351 4.902 4.550 0.001 0.000 0.247 361 Y C 1.203 177.095 175.900 -0.013 0.000 1.151 361 Y CA 0.080 58.175 58.100 -0.009 0.000 1.238 361 Y CB 0.913 39.361 38.460 -0.020 0.000 1.179 361 Y HN 0.061 nan 8.280 nan 0.000 0.524 362 G N 1.582 110.419 108.800 0.062 0.000 2.305 362 G HA2 -0.253 3.707 3.960 0.001 0.000 0.287 362 G HA3 -0.253 3.707 3.960 0.001 0.000 0.287 362 G C 0.047 174.979 174.900 0.052 0.000 1.036 362 G CA 0.432 45.556 45.100 0.040 0.000 0.887 362 G HN 0.408 nan 8.290 nan 0.000 0.505 363 V N -3.469 116.483 119.914 0.065 0.000 2.617 363 V HA 0.838 4.959 4.120 0.001 0.000 0.298 363 V C 0.114 176.226 176.094 0.030 0.000 1.048 363 V CA -1.762 60.564 62.300 0.044 0.000 0.964 363 V CB 1.945 33.787 31.823 0.032 0.000 1.004 363 V HN 0.112 nan 8.190 nan 0.000 0.466 364 K N 5.393 125.812 120.400 0.031 0.000 2.211 364 K HA 0.664 4.984 4.320 0.001 0.000 0.275 364 K C -0.454 176.172 176.600 0.042 0.000 1.024 364 K CA -0.160 56.145 56.287 0.030 0.000 0.887 364 K CB 1.618 34.137 32.500 0.031 0.000 1.084 364 K HN 0.973 nan 8.250 nan 0.000 0.463 365 I N 0.314 120.907 120.570 0.039 0.000 2.828 365 I HA 0.596 4.766 4.170 0.001 0.000 0.302 365 I C -0.273 175.884 176.117 0.066 0.000 1.101 365 I CA -1.461 59.875 61.300 0.060 0.000 1.031 365 I CB 2.059 40.082 38.000 0.039 0.000 1.231 365 I HN 0.485 nan 8.210 nan 0.000 0.427 366 I N 0.819 121.456 120.570 0.111 0.000 2.474 366 I HA 0.690 4.861 4.170 0.001 0.000 0.294 366 I C -0.742 175.464 176.117 0.148 0.000 1.005 366 I CA -0.314 61.050 61.300 0.106 0.000 1.113 366 I CB 2.065 40.127 38.000 0.104 0.000 1.289 366 I HN 0.547 nan 8.210 nan 0.000 0.436 367 T N 3.641 118.257 114.554 0.103 0.000 2.829 367 T HA 0.445 4.796 4.350 0.001 0.000 0.280 367 T C 0.363 175.131 174.700 0.114 0.000 0.999 367 T CA -0.508 61.661 62.100 0.116 0.000 0.983 367 T CB 1.655 70.553 68.868 0.050 0.000 0.968 367 T HN 0.878 nan 8.240 nan 0.000 0.446 368 T N 0.441 115.092 114.554 0.162 0.000 2.754 368 T HA 0.638 4.989 4.350 0.001 0.000 0.286 368 T C 0.662 175.414 174.700 0.087 0.000 0.997 368 T CA -0.839 61.341 62.100 0.134 0.000 0.982 368 T CB 0.407 69.390 68.868 0.191 0.000 1.027 368 T HN 0.738 nan 8.240 nan 0.000 0.529 369 A N 2.368 125.221 122.820 0.056 0.000 2.445 369 A HA 0.520 4.840 4.320 0.001 0.000 0.242 369 A C -1.699 175.930 177.584 0.075 0.000 1.075 369 A CA -1.320 50.728 52.037 0.018 0.000 0.777 369 A CB -0.740 18.233 19.000 -0.045 0.000 1.013 369 A HN 0.834 nan 8.150 nan 0.000 0.493 370 P HA 0.229 nan 4.420 nan 0.000 0.276 370 P C -1.153 176.231 177.300 0.140 0.000 1.252 370 P CA -0.384 62.786 63.100 0.116 0.000 0.802 370 P CB 0.874 32.618 31.700 0.073 0.000 1.035 371 N N -0.904 117.908 118.700 0.187 0.000 2.494 371 N HA 0.344 5.084 4.740 0.001 0.000 0.270 371 N C -0.674 174.923 175.510 0.144 0.000 1.285 371 N CA -0.784 52.380 53.050 0.189 0.000 0.812 371 N CB 1.935 40.577 38.487 0.258 0.000 1.557 371 N HN 0.219 nan 8.380 nan 0.000 0.487 372 V N -1.744 118.164 119.914 -0.011 0.000 3.336 372 V HA 0.611 4.731 4.120 0.001 0.000 0.314 372 V C 0.450 176.423 176.094 -0.202 0.000 1.088 372 V CA -0.966 61.261 62.300 -0.123 0.000 1.033 372 V CB 0.597 32.242 31.823 -0.296 0.000 1.181 372 V HN 0.614 nan 8.190 nan 0.000 0.449 373 I N 1.784 122.290 120.570 -0.107 0.000 2.312 373 I HA 0.346 4.516 4.170 0.001 0.000 0.291 373 I C -0.820 175.318 176.117 0.034 0.000 1.031 373 I CA -0.037 61.259 61.300 -0.007 0.000 1.293 373 I CB 0.304 38.370 38.000 0.109 0.000 1.403 373 I HN 0.592 nan 8.210 nan 0.000 0.484 374 Y N 5.602 126.051 120.300 0.248 0.000 2.376 374 Y HA 0.509 5.059 4.550 0.000 0.000 0.325 374 Y C 0.366 176.391 175.900 0.208 0.000 1.199 374 Y CA -0.684 57.604 58.100 0.313 0.000 1.206 374 Y CB 1.030 39.684 38.460 0.324 0.000 1.229 374 Y HN 0.377 nan 8.280 nan 0.000 0.480 375 R N 1.563 122.288 120.500 0.374 0.000 2.310 375 R HA 0.613 4.953 4.340 0.001 0.000 0.324 375 R C -1.633 174.738 176.300 0.117 0.000 0.955 375 R CA -0.690 55.491 56.100 0.134 0.000 0.830 375 R CB 1.405 31.706 30.300 0.002 0.000 1.154 375 R HN 0.380 nan 8.270 nan 0.000 0.458 376 V N 3.268 123.157 119.914 -0.042 0.000 2.495 376 V HA 0.299 4.419 4.120 0.001 0.000 0.298 376 V C -0.384 175.510 176.094 -0.334 0.000 1.031 376 V CA -0.883 61.293 62.300 -0.206 0.000 0.871 376 V CB 1.900 33.506 31.823 -0.361 0.000 0.988 376 V HN 0.497 nan 8.190 nan 0.000 0.432 377 K N 5.408 125.466 120.400 -0.570 0.000 2.316 377 K HA 0.465 4.786 4.320 0.001 0.000 0.267 377 K C -0.276 176.035 176.600 -0.481 0.000 1.025 377 K CA -0.432 55.461 56.287 -0.657 0.000 0.896 377 K CB 0.667 32.361 32.500 -1.344 0.000 1.124 377 K HN 0.739 nan 8.250 nan 0.000 0.451 378 K N 3.023 123.220 120.400 -0.339 0.000 2.123 378 K HA 0.335 4.655 4.320 0.001 0.000 0.259 378 K C 0.204 176.619 176.600 -0.309 0.000 0.960 378 K CA -0.915 55.197 56.287 -0.292 0.000 0.872 378 K CB 1.734 34.100 32.500 -0.224 0.000 1.079 378 K HN 0.309 nan 8.250 nan 0.000 0.440 379 K N 0.679 120.830 120.400 -0.415 0.000 2.077 379 K HA -0.156 4.164 4.320 0.001 0.000 0.213 379 K C 0.378 176.518 176.600 -0.767 0.000 1.051 379 K CA 1.884 57.756 56.287 -0.692 0.000 0.929 379 K CB -0.281 31.568 32.500 -1.085 0.000 0.715 379 K HN 0.503 nan 8.250 nan 0.000 0.451 380 F N 0.327 120.238 119.950 -0.065 0.000 2.837 380 F HA 0.195 4.722 4.527 0.001 0.000 0.298 380 F C -0.233 175.534 175.800 -0.056 0.000 1.161 380 F CA -0.163 57.806 58.000 -0.052 0.000 1.353 380 F CB 0.639 39.612 39.000 -0.044 0.000 0.951 380 F HN -0.313 nan 8.300 nan 0.000 0.508 381 T N -0.183 114.372 114.554 0.000 0.000 2.965 381 T HA 0.141 4.491 4.350 0.001 0.000 0.306 381 T C 0.492 175.162 174.700 -0.049 0.000 0.991 381 T CA -0.603 61.487 62.100 -0.017 0.000 1.001 381 T CB 1.662 70.501 68.868 -0.048 0.000 0.984 381 T HN -0.009 nan 8.240 nan 0.000 0.446 382 D N 1.628 122.015 120.400 -0.022 0.000 2.104 382 D HA -0.073 4.567 4.640 0.001 0.000 0.194 382 D C 0.829 177.107 176.300 -0.035 0.000 0.994 382 D CA 1.332 55.318 54.000 -0.024 0.000 0.830 382 D CB 0.364 41.160 40.800 -0.006 0.000 0.959 382 D HN 0.494 nan 8.370 nan 0.000 0.452 383 E N 0.933 121.111 120.200 -0.037 0.000 2.301 383 E HA 0.212 4.562 4.350 0.001 0.000 0.275 383 E C 0.002 176.561 176.600 -0.068 0.000 1.030 383 E CA -0.457 55.919 56.400 -0.040 0.000 0.852 383 E CB 1.971 31.653 29.700 -0.031 0.000 1.060 383 E HN -0.148 nan 8.360 nan 0.000 0.401 384 V N 3.723 123.598 119.914 -0.065 0.000 2.763 384 V HA 0.023 4.143 4.120 0.001 0.000 0.306 384 V C 0.833 176.874 176.094 -0.088 0.000 1.059 384 V CA 0.181 62.424 62.300 -0.096 0.000 1.138 384 V CB 0.478 32.272 31.823 -0.048 0.000 0.940 384 V HN 0.567 nan 8.190 nan 0.000 0.489 385 I N 3.374 123.879 120.570 -0.109 0.000 2.460 385 I HA 0.422 4.593 4.170 0.001 0.000 0.298 385 I C 0.175 176.256 176.117 -0.061 0.000 0.989 385 I CA -0.492 60.755 61.300 -0.087 0.000 1.173 385 I CB 1.360 39.296 38.000 -0.106 0.000 1.338 385 I HN 0.682 nan 8.210 nan 0.000 0.456 386 E N 6.132 126.304 120.200 -0.046 0.000 2.146 386 E HA 0.311 4.661 4.350 0.001 0.000 0.282 386 E C -1.173 175.421 176.600 -0.009 0.000 0.989 386 E CA -0.568 55.818 56.400 -0.024 0.000 0.799 386 E CB 1.973 31.647 29.700 -0.043 0.000 1.088 386 E HN 0.346 nan 8.360 nan 0.000 0.397 387 V N 5.693 125.645 119.914 0.064 0.000 2.328 387 V HA 0.157 4.277 4.120 0.001 0.000 0.278 387 V C 1.078 177.209 176.094 0.063 0.000 1.021 387 V CA -0.466 61.892 62.300 0.097 0.000 0.838 387 V CB 0.750 32.716 31.823 0.238 0.000 0.999 387 V HN 0.672 nan 8.190 nan 0.000 0.447 388 R N 2.464 122.898 120.500 -0.111 0.000 2.365 388 R HA 0.231 4.572 4.340 0.001 0.000 0.223 388 R C 0.117 176.323 176.300 -0.157 0.000 0.899 388 R CA -0.153 55.733 56.100 -0.357 0.000 1.059 388 R CB 0.363 30.056 30.300 -1.011 0.000 1.086 388 R HN 0.508 nan 8.270 nan 0.000 0.522 389 N N 1.462 120.163 118.700 0.002 0.000 2.504 389 N HA 0.273 5.013 4.740 0.001 0.000 0.280 389 N C -2.321 173.277 175.510 0.148 0.000 1.052 389 N CA -2.258 50.844 53.050 0.087 0.000 0.887 389 N CB 2.376 40.903 38.487 0.067 0.000 1.323 389 N HN -0.293 nan 8.380 nan 0.000 0.509 390 P HA -0.168 nan 4.420 nan 0.000 0.217 390 P C 1.457 178.843 177.300 0.143 0.000 1.151 390 P CA 1.735 64.934 63.100 0.165 0.000 0.849 390 P CB 0.050 31.840 31.700 0.150 0.000 0.787 391 M N -3.301 116.373 119.600 0.124 0.000 2.549 391 M HA -0.011 4.469 4.480 0.001 0.000 0.260 391 M C 0.426 176.786 176.300 0.100 0.000 1.076 391 M CA 1.772 57.131 55.300 0.099 0.000 1.090 391 M CB -0.556 32.096 32.600 0.086 0.000 1.418 391 M HN -0.222 nan 8.290 nan 0.000 0.486 392 D N 0.578 121.047 120.400 0.115 0.000 2.354 392 D HA 0.147 4.787 4.640 0.001 0.000 0.209 392 D C -0.042 176.318 176.300 0.099 0.000 1.015 392 D CA 0.199 54.249 54.000 0.082 0.000 0.867 392 D CB -0.016 40.816 40.800 0.055 0.000 0.933 392 D HN 0.354 nan 8.370 nan 0.000 0.520 393 F N 1.952 121.897 119.950 -0.009 0.000 2.578 393 F HA 0.164 4.692 4.527 0.001 0.000 0.376 393 F C -1.916 173.858 175.800 -0.044 0.000 1.085 393 F CA -1.974 56.005 58.000 -0.035 0.000 1.260 393 F CB 0.595 39.557 39.000 -0.064 0.000 1.095 393 F HN -0.231 nan 8.300 nan 0.000 0.573 394 P HA -0.086 nan 4.420 nan 0.000 0.260 394 P C -0.133 177.210 177.300 0.072 0.000 1.172 394 P CA 0.468 63.506 63.100 -0.103 0.000 0.760 394 P CB 0.529 32.077 31.700 -0.253 0.000 0.773 395 D N 1.024 121.455 120.400 0.051 0.000 2.183 395 D HA -0.099 4.542 4.640 0.001 0.000 0.203 395 D C 0.647 176.968 176.300 0.036 0.000 0.969 395 D CA 1.224 55.257 54.000 0.054 0.000 0.842 395 D CB -0.214 40.602 40.800 0.026 0.000 0.957 395 D HN 0.370 nan 8.370 nan 0.000 0.484 396 N N 0.965 119.673 118.700 0.014 0.000 2.415 396 N HA 0.143 4.883 4.740 0.001 0.000 0.250 396 N C 0.700 176.209 175.510 -0.002 0.000 1.127 396 N CA -0.109 52.944 53.050 0.005 0.000 0.945 396 N CB 1.273 39.763 38.487 0.004 0.000 1.196 396 N HN -0.097 nan 8.380 nan 0.000 0.499 397 A N 3.269 126.096 122.820 0.012 0.000 2.019 397 A HA -0.058 4.262 4.320 0.001 0.000 0.219 397 A C 1.958 179.533 177.584 -0.016 0.000 1.164 397 A CA 1.603 53.648 52.037 0.013 0.000 0.644 397 A CB -0.538 18.472 19.000 0.016 0.000 0.805 397 A HN 0.677 nan 8.150 nan 0.000 0.449 398 G N -0.537 108.254 108.800 -0.015 0.000 2.448 398 G HA2 -0.087 3.874 3.960 0.001 0.000 0.219 398 G HA3 -0.087 3.874 3.960 0.001 0.000 0.219 398 G C 1.362 176.232 174.900 -0.050 0.000 1.127 398 G CA 1.062 46.149 45.100 -0.022 0.000 0.766 398 G HN 0.488 nan 8.290 nan 0.000 0.552 399 L N 0.425 121.613 121.223 -0.059 0.000 2.395 399 L HA 0.378 4.718 4.340 0.001 0.000 0.218 399 L C 1.010 177.774 176.870 -0.177 0.000 1.130 399 L CA 0.189 54.962 54.840 -0.112 0.000 0.826 399 L CB 0.017 42.037 42.059 -0.065 0.000 0.941 399 L HN 0.051 nan 8.230 nan 0.000 0.451 400 I N 0.214 120.695 120.570 -0.147 0.000 2.379 400 I HA 0.003 4.174 4.170 0.001 0.000 0.290 400 I C 1.035 177.067 176.117 -0.142 0.000 1.063 400 I CA 0.152 61.346 61.300 -0.177 0.000 1.351 400 I CB 0.883 38.796 38.000 -0.145 0.000 1.410 400 I HN 0.210 nan 8.210 nan 0.000 0.505 401 E N 5.713 125.796 120.200 -0.195 0.000 2.122 401 E HA -0.039 4.312 4.350 0.001 0.000 0.190 401 E C -0.860 175.772 176.600 0.053 0.000 0.977 401 E CA 0.831 57.171 56.400 -0.101 0.000 0.820 401 E CB 0.379 29.996 29.700 -0.138 0.000 0.770 401 E HN 0.662 nan 8.360 nan 0.000 0.462 402 Y N -3.271 116.999 120.300 -0.050 0.000 2.687 402 Y HA 0.499 5.049 4.550 0.000 0.000 0.338 402 Y C -1.529 174.377 175.900 0.010 0.000 1.189 402 Y CA -1.554 56.539 58.100 -0.011 0.000 1.097 402 Y CB 0.820 39.280 38.460 0.000 0.000 1.342 402 Y HN -0.326 nan 8.280 nan 0.000 0.461 403 V N 1.876 121.992 119.914 0.336 0.000 2.638 403 V HA 0.545 4.665 4.120 0.001 0.000 0.306 403 V C -0.826 175.507 176.094 0.397 0.000 1.052 403 V CA -0.902 61.580 62.300 0.304 0.000 0.885 403 V CB 1.786 33.764 31.823 0.258 0.000 0.999 403 V HN 0.826 nan 8.190 nan 0.000 0.424 404 E N 2.965 123.441 120.200 0.459 0.000 2.227 404 E HA 0.670 5.020 4.350 0.001 0.000 0.268 404 E C -1.032 175.959 176.600 0.653 0.000 0.907 404 E CA -0.787 55.915 56.400 0.505 0.000 0.786 404 E CB 2.860 32.856 29.700 0.493 0.000 1.191 404 E HN 0.897 nan 8.360 nan 0.000 0.411 405 E N 1.188 121.717 120.200 0.547 0.000 2.343 405 E HA 0.487 4.838 4.350 0.001 0.000 0.270 405 E C -2.782 173.744 176.600 -0.123 0.000 0.895 405 E CA -2.534 54.038 56.400 0.286 0.000 0.767 405 E CB 2.150 32.027 29.700 0.295 0.000 1.248 405 E HN 0.104 nan 8.360 nan 0.000 0.440 406 P HA 0.154 nan 4.420 nan 0.000 0.276 406 P C -1.233 175.975 177.300 -0.154 0.000 1.230 406 P CA -0.122 62.690 63.100 -0.480 0.000 0.776 406 P CB 0.337 31.822 31.700 -0.358 0.000 0.888 407 F N 1.866 121.709 119.950 -0.179 0.000 2.538 407 F HA 0.482 5.010 4.527 0.001 0.000 0.325 407 F C 0.545 176.270 175.800 -0.125 0.000 1.066 407 F CA -0.498 57.418 58.000 -0.140 0.000 0.946 407 F CB 2.056 40.974 39.000 -0.136 0.000 1.199 407 F HN 0.182 nan 8.300 nan 0.000 0.473 408 V N 0.883 120.826 119.914 0.050 0.000 3.040 408 V HA 0.704 4.824 4.120 0.001 0.000 0.312 408 V C -1.720 174.421 176.094 0.078 0.000 1.115 408 V CA -1.133 61.206 62.300 0.065 0.000 0.998 408 V CB 1.901 33.739 31.823 0.024 0.000 1.042 408 V HN 0.620 nan 8.190 nan 0.000 0.433 409 L N 3.101 124.393 121.223 0.115 0.000 2.265 409 L HA 0.706 5.046 4.340 0.001 0.000 0.289 409 L C -0.405 176.561 176.870 0.159 0.000 1.033 409 L CA 0.007 54.910 54.840 0.106 0.000 0.814 409 L CB 1.128 43.236 42.059 0.081 0.000 1.203 409 L HN 0.655 nan 8.230 nan 0.000 0.423 410 V N 3.786 123.781 119.914 0.134 0.000 2.394 410 V HA 0.531 4.652 4.120 0.001 0.000 0.282 410 V C 0.363 176.547 176.094 0.150 0.000 1.031 410 V CA -0.418 61.989 62.300 0.178 0.000 0.881 410 V CB 1.395 33.257 31.823 0.065 0.000 0.982 410 V HN 0.868 nan 8.190 nan 0.000 0.451 411 T N 3.434 118.089 114.554 0.168 0.000 2.824 411 T HA 0.835 5.185 4.350 0.001 0.000 0.280 411 T C -0.667 174.103 174.700 0.117 0.000 0.995 411 T CA -0.520 61.610 62.100 0.050 0.000 1.009 411 T CB 1.381 70.339 68.868 0.150 0.000 0.955 411 T HN 0.369 nan 8.240 nan 0.000 0.452 412 I N 2.603 123.169 120.570 -0.006 0.000 2.582 412 I HA 0.509 4.679 4.170 0.001 0.000 0.292 412 I C -0.698 175.469 176.117 0.083 0.000 1.066 412 I CA -1.205 60.162 61.300 0.112 0.000 1.053 412 I CB 2.259 40.338 38.000 0.132 0.000 1.241 412 I HN 0.571 nan 8.210 nan 0.000 0.421 413 I N 4.198 124.859 120.570 0.153 0.000 2.466 413 I HA 0.496 4.666 4.170 0.001 0.000 0.289 413 I C -0.408 175.802 176.117 0.156 0.000 1.026 413 I CA -0.287 61.114 61.300 0.169 0.000 1.078 413 I CB 2.213 40.327 38.000 0.191 0.000 1.249 413 I HN 0.525 nan 8.210 nan 0.000 0.429 414 T N 6.213 120.856 114.554 0.148 0.000 2.889 414 T HA 0.490 4.840 4.350 0.001 0.000 0.315 414 T C -2.874 171.926 174.700 0.166 0.000 1.291 414 T CA -1.660 60.549 62.100 0.182 0.000 1.028 414 T CB 2.312 71.294 68.868 0.190 0.000 1.235 414 T HN 0.108 nan 8.240 nan 0.000 0.491 415 P HA 0.226 nan 4.420 nan 0.000 0.269 415 P C 0.495 177.816 177.300 0.034 0.000 1.209 415 P CA -0.234 62.918 63.100 0.086 0.000 0.776 415 P CB 0.513 32.241 31.700 0.047 0.000 0.876 416 K N 3.571 123.973 120.400 0.002 0.000 2.160 416 K HA -0.240 4.081 4.320 0.001 0.000 0.206 416 K C 1.483 178.037 176.600 -0.076 0.000 1.047 416 K CA 1.614 57.908 56.287 0.012 0.000 0.930 416 K CB -0.049 32.496 32.500 0.074 0.000 0.720 416 K HN 0.463 nan 8.250 nan 0.000 0.450 417 E N -0.208 119.841 120.200 -0.252 0.000 2.209 417 E HA -0.222 4.128 4.350 0.001 0.000 0.196 417 E C 0.990 177.347 176.600 -0.405 0.000 0.993 417 E CA 1.331 57.483 56.400 -0.414 0.000 0.819 417 E CB -0.426 28.865 29.700 -0.681 0.000 0.745 417 E HN 0.565 nan 8.360 nan 0.000 0.477 418 Y N 0.469 120.791 120.300 0.037 0.000 2.458 418 Y HA 0.177 4.727 4.550 0.000 0.000 0.256 418 Y C 2.263 178.175 175.900 0.020 0.000 1.159 418 Y CA -0.449 57.670 58.100 0.031 0.000 1.261 418 Y CB 0.003 38.488 38.460 0.042 0.000 1.119 418 Y HN -0.179 nan 8.280 nan 0.000 0.524 419 V N 0.326 120.308 119.914 0.114 0.000 2.250 419 V HA -0.339 3.782 4.120 0.001 0.000 0.250 419 V C 2.551 178.689 176.094 0.073 0.000 1.060 419 V CA 2.387 64.735 62.300 0.081 0.000 1.030 419 V CB -1.185 30.666 31.823 0.047 0.000 0.643 419 V HN 0.563 nan 8.190 nan 0.000 0.445 420 G N 0.423 109.262 108.800 0.065 0.000 2.459 420 G HA2 -0.218 3.742 3.960 0.001 0.000 0.217 420 G HA3 -0.218 3.742 3.960 0.001 0.000 0.217 420 G C -0.178 174.751 174.900 0.049 0.000 1.183 420 G CA 1.290 46.424 45.100 0.056 0.000 0.776 420 G HN 0.539 nan 8.290 nan 0.000 0.552 421 P HA -0.010 nan 4.420 nan 0.000 0.217 421 P C 1.866 179.166 177.300 -0.001 0.000 1.150 421 P CA 0.687 63.808 63.100 0.036 0.000 0.832 421 P CB -0.022 31.718 31.700 0.066 0.000 0.787 422 I N -1.401 119.174 120.570 0.008 0.000 2.252 422 I HA -0.196 3.975 4.170 0.001 0.000 0.245 422 I C 2.256 178.328 176.117 -0.075 0.000 1.102 422 I CA 1.234 62.506 61.300 -0.046 0.000 1.385 422 I CB -0.444 37.548 38.000 -0.014 0.000 1.064 422 I HN -0.130 nan 8.210 nan 0.000 0.414 423 I N 0.420 120.979 120.570 -0.018 0.000 2.163 423 I HA -0.350 3.820 4.170 0.001 0.000 0.243 423 I C 2.589 178.683 176.117 -0.038 0.000 1.085 423 I CA 1.601 62.898 61.300 -0.005 0.000 1.347 423 I CB -0.378 37.682 38.000 0.099 0.000 1.044 423 I HN 0.317 nan 8.210 nan 0.000 0.408 424 Q N 0.033 119.826 119.800 -0.011 0.000 2.124 424 Q HA -0.249 4.092 4.340 0.001 0.000 0.202 424 Q C 2.239 178.218 176.000 -0.036 0.000 0.977 424 Q CA 1.491 57.288 55.803 -0.010 0.000 0.850 424 Q CB -0.244 28.496 28.738 0.002 0.000 0.901 424 Q HN 0.408 nan 8.270 nan 0.000 0.429 425 L N 0.218 121.406 121.223 -0.058 0.000 1.994 425 L HA -0.181 4.159 4.340 0.001 0.000 0.208 425 L C 2.147 178.983 176.870 -0.057 0.000 1.071 425 L CA 1.840 56.646 54.840 -0.057 0.000 0.745 425 L CB -0.820 41.181 42.059 -0.096 0.000 0.892 425 L HN 0.250 nan 8.230 nan 0.000 0.431 426 C N -0.478 118.728 119.300 -0.157 0.000 2.413 426 C HA -0.181 4.279 4.460 0.001 0.000 0.277 426 C C 2.779 177.652 174.990 -0.194 0.000 1.265 426 C CA 1.128 59.969 59.018 -0.294 0.000 1.752 426 C CB -1.104 26.070 27.740 -0.944 0.000 1.998 426 C HN 0.730 nan 8.230 nan 0.000 0.489 427 Q N 0.909 120.638 119.800 -0.119 0.000 2.084 427 Q HA -0.190 4.150 4.340 0.001 0.000 0.202 427 Q C 2.033 178.023 176.000 -0.017 0.000 0.978 427 Q CA 1.578 57.375 55.803 -0.009 0.000 0.844 427 Q CB -0.110 28.644 28.738 0.026 0.000 0.898 427 Q HN 0.672 nan 8.270 nan 0.000 0.426 428 E N -0.091 120.096 120.200 -0.021 0.000 2.204 428 E HA -0.127 4.224 4.350 0.001 0.000 0.194 428 E C 0.870 177.463 176.600 -0.011 0.000 0.989 428 E CA 0.666 57.061 56.400 -0.008 0.000 0.824 428 E CB 0.208 29.913 29.700 0.009 0.000 0.756 428 E HN 0.161 nan 8.360 nan 0.000 0.477 429 K N 0.654 121.042 120.400 -0.019 0.000 2.596 429 K HA 0.149 4.469 4.320 0.001 0.000 0.211 429 K C -0.155 176.402 176.600 -0.071 0.000 1.046 429 K CA -0.063 56.207 56.287 -0.028 0.000 1.202 429 K CB 0.142 32.625 32.500 -0.028 0.000 0.925 429 K HN 0.096 nan 8.250 nan 0.000 0.486 430 R N -0.457 120.007 120.500 -0.061 0.000 3.651 430 R HA -0.136 4.205 4.340 0.001 0.000 0.292 430 R C 0.459 176.775 176.300 0.027 0.000 1.161 430 R CA 0.671 56.744 56.100 -0.046 0.000 0.787 430 R CB -2.290 27.955 30.300 -0.092 0.000 1.249 430 R HN 0.380 nan 8.270 nan 0.000 0.476 431 G N 0.433 109.259 108.800 0.044 0.000 2.420 431 G HA2 0.596 4.556 3.960 0.001 0.000 0.284 431 G HA3 0.596 4.556 3.960 0.001 0.000 0.284 431 G C -0.005 175.078 174.900 0.306 0.000 1.177 431 G CA -0.638 44.567 45.100 0.174 0.000 0.841 431 G HN 0.163 nan 8.290 nan 0.000 0.527 432 I N 1.006 121.748 120.570 0.287 0.000 2.382 432 I HA 0.188 4.358 4.170 0.001 0.000 0.286 432 I C 0.303 176.328 176.117 -0.153 0.000 1.002 432 I CA -0.491 60.870 61.300 0.101 0.000 1.135 432 I CB 1.887 39.910 38.000 0.039 0.000 1.288 432 I HN 0.461 nan 8.210 nan 0.000 0.448 433 Q N 5.833 125.364 119.800 -0.448 0.000 2.311 433 Q HA 0.094 4.434 4.340 0.001 0.000 0.272 433 Q C 0.204 175.943 176.000 -0.435 0.000 1.012 433 Q CA 0.165 55.390 55.803 -0.963 0.000 0.891 433 Q CB 0.852 29.129 28.738 -0.768 0.000 1.201 433 Q HN 0.470 nan 8.270 nan 0.000 0.391 434 K N 2.319 122.489 120.400 -0.384 0.000 2.399 434 K HA 0.214 4.535 4.320 0.001 0.000 0.196 434 K C -0.257 176.262 176.600 -0.135 0.000 1.103 434 K CA 0.108 56.281 56.287 -0.189 0.000 0.986 434 K CB 0.411 32.836 32.500 -0.126 0.000 0.952 434 K HN 0.548 nan 8.250 nan 0.000 0.541 435 N N -0.164 118.438 118.700 -0.163 0.000 2.935 435 N HA 0.311 5.052 4.740 0.001 0.000 0.248 435 N C -1.986 173.485 175.510 -0.065 0.000 1.276 435 N CA -0.372 52.642 53.050 -0.060 0.000 0.906 435 N CB 1.521 40.034 38.487 0.043 0.000 1.564 435 N HN -0.074 nan 8.380 nan 0.000 0.500 436 M N 2.172 121.775 119.600 0.005 0.000 2.238 436 M HA 0.508 4.988 4.480 0.001 0.000 0.278 436 M C -1.732 174.596 176.300 0.046 0.000 1.040 436 M CA -0.246 55.051 55.300 -0.004 0.000 0.969 436 M CB 1.615 34.191 32.600 -0.041 0.000 1.694 436 M HN 0.741 nan 8.290 nan 0.000 0.472 437 T N 0.428 115.023 114.554 0.067 0.000 2.900 437 T HA 0.547 4.897 4.350 0.001 0.000 0.303 437 T C -1.454 173.219 174.700 -0.044 0.000 1.142 437 T CA -0.586 61.564 62.100 0.084 0.000 1.007 437 T CB 1.148 70.110 68.868 0.157 0.000 1.156 437 T HN 0.511 nan 8.240 nan 0.000 0.490 438 Y N 1.636 121.994 120.300 0.097 0.000 2.341 438 Y HA 0.432 4.982 4.550 0.000 0.000 0.340 438 Y C 1.286 177.220 175.900 0.057 0.000 0.997 438 Y CA -1.013 57.133 58.100 0.077 0.000 1.149 438 Y CB 1.128 39.617 38.460 0.048 0.000 1.171 438 Y HN 0.519 nan 8.280 nan 0.000 0.494 439 L N 2.925 124.242 121.223 0.156 0.000 2.599 439 L HA 0.101 4.441 4.340 0.001 0.000 0.230 439 L C -0.526 176.396 176.870 0.087 0.000 1.141 439 L CA 0.410 55.306 54.840 0.092 0.000 0.877 439 L CB -0.527 41.576 42.059 0.073 0.000 1.009 439 L HN 0.775 nan 8.230 nan 0.000 0.447 440 D N -4.482 115.996 120.400 0.131 0.000 2.972 440 D HA 0.016 4.656 4.640 0.001 0.000 0.294 440 D C -2.486 173.888 176.300 0.123 0.000 1.211 440 D CA -0.858 53.197 54.000 0.091 0.000 0.732 440 D CB 0.269 41.100 40.800 0.053 0.000 1.257 440 D HN -0.344 nan 8.370 nan 0.000 0.435 441 P HA -0.147 nan 4.420 nan 0.000 0.220 441 P C -0.063 177.283 177.300 0.076 0.000 1.144 441 P CA 1.163 64.279 63.100 0.026 0.000 0.800 441 P CB 0.066 31.758 31.700 -0.013 0.000 0.772 442 N N -1.430 117.322 118.700 0.086 0.000 2.197 442 N HA 0.080 4.820 4.740 0.001 0.000 0.228 442 N C -0.274 175.291 175.510 0.090 0.000 1.212 442 N CA 0.247 53.341 53.050 0.075 0.000 0.883 442 N CB 1.066 39.559 38.487 0.009 0.000 1.107 442 N HN 0.067 nan 8.380 nan 0.000 0.519 443 T N 0.973 115.607 114.554 0.133 0.000 2.841 443 T HA 0.433 4.783 4.350 0.001 0.000 0.285 443 T C -0.130 174.627 174.700 0.095 0.000 0.991 443 T CA -0.360 61.804 62.100 0.107 0.000 0.966 443 T CB 2.653 71.576 68.868 0.092 0.000 0.962 443 T HN -0.302 nan 8.240 nan 0.000 0.438 444 V N 3.609 123.540 119.914 0.028 0.000 2.581 444 V HA 0.501 4.622 4.120 0.001 0.000 0.303 444 V C -1.029 175.095 176.094 0.050 0.000 1.041 444 V CA -0.990 61.252 62.300 -0.096 0.000 0.907 444 V CB 1.610 33.297 31.823 -0.226 0.000 0.994 444 V HN 0.851 nan 8.190 nan 0.000 0.442 445 Y N 5.063 125.312 120.300 -0.084 0.000 2.352 445 Y HA 0.771 5.321 4.550 0.000 0.000 0.339 445 Y C -0.964 174.939 175.900 0.005 0.000 0.992 445 Y CA -0.730 57.371 58.100 0.002 0.000 1.100 445 Y CB 1.314 39.788 38.460 0.023 0.000 1.192 445 Y HN 0.523 nan 8.280 nan 0.000 0.458 446 L N 5.786 126.728 121.223 -0.470 0.000 2.381 446 L HA 0.556 4.896 4.340 0.001 0.000 0.268 446 L C -1.019 175.586 176.870 -0.441 0.000 0.997 446 L CA -0.854 53.799 54.840 -0.311 0.000 0.818 446 L CB 2.435 44.512 42.059 0.029 0.000 1.310 446 L HN 0.597 nan 8.230 nan 0.000 0.416 447 E N 1.846 121.874 120.200 -0.288 0.000 2.199 447 E HA 0.499 4.850 4.350 0.001 0.000 0.265 447 E C -1.856 174.649 176.600 -0.159 0.000 0.882 447 E CA -0.641 55.653 56.400 -0.176 0.000 0.759 447 E CB 2.522 32.147 29.700 -0.124 0.000 1.148 447 E HN 0.328 nan 8.360 nan 0.000 0.412 448 Y N 0.899 121.166 120.300 -0.056 0.000 2.457 448 Y HA 0.191 4.742 4.550 0.001 0.000 0.343 448 Y C -0.231 175.657 175.900 -0.019 0.000 0.994 448 Y CA -0.779 57.300 58.100 -0.035 0.000 1.031 448 Y CB 1.952 40.385 38.460 -0.044 0.000 1.246 448 Y HN 0.390 nan 8.280 nan 0.000 0.449 449 E N 5.003 125.285 120.200 0.137 0.000 2.200 449 E HA 0.545 4.895 4.350 0.001 0.000 0.283 449 E C -0.932 175.795 176.600 0.212 0.000 1.015 449 E CA -0.302 56.190 56.400 0.153 0.000 0.819 449 E CB 1.205 30.971 29.700 0.110 0.000 1.081 449 E HN 0.544 nan 8.360 nan 0.000 0.397 450 M N 2.865 122.536 119.600 0.118 0.000 2.531 450 M HA 0.384 4.865 4.480 0.001 0.000 0.286 450 M C -2.673 173.358 176.300 -0.448 0.000 1.232 450 M CA -2.341 52.902 55.300 -0.094 0.000 0.877 450 M CB 2.530 34.987 32.600 -0.238 0.000 1.726 450 M HN 0.136 nan 8.290 nan 0.000 0.463 451 P HA 0.108 nan 4.420 nan 0.000 0.276 451 P C 0.218 177.184 177.300 -0.557 0.000 1.230 451 P CA -0.426 62.032 63.100 -1.070 0.000 0.776 451 P CB 0.662 31.884 31.700 -0.796 0.000 0.888 452 L N 3.984 124.930 121.223 -0.461 0.000 2.131 452 L HA -0.194 4.146 4.340 0.001 0.000 0.210 452 L C 2.079 178.798 176.870 -0.251 0.000 1.092 452 L CA 2.330 56.960 54.840 -0.349 0.000 0.759 452 L CB -1.380 40.532 42.059 -0.246 0.000 0.903 452 L HN 0.398 nan 8.230 nan 0.000 0.435 453 S N -1.552 114.026 115.700 -0.202 0.000 2.400 453 S HA -0.179 4.291 4.470 0.001 0.000 0.232 453 S C 1.748 176.346 174.600 -0.003 0.000 1.025 453 S CA 1.257 59.424 58.200 -0.055 0.000 0.993 453 S CB -0.553 62.682 63.200 0.058 0.000 0.808 453 S HN 0.594 nan 8.310 nan 0.000 0.478 454 E N 0.772 120.925 120.200 -0.077 0.000 2.170 454 E HA 0.104 4.455 4.350 0.001 0.000 0.191 454 E C 2.059 178.609 176.600 -0.083 0.000 0.981 454 E CA 0.337 56.726 56.400 -0.018 0.000 0.830 454 E CB -0.184 29.469 29.700 -0.078 0.000 0.775 454 E HN 0.474 nan 8.360 nan 0.000 0.470 455 I N 1.754 122.187 120.570 -0.228 0.000 2.315 455 I HA -0.195 3.975 4.170 0.001 0.000 0.248 455 I C 2.535 178.616 176.117 -0.061 0.000 1.117 455 I CA 0.969 62.094 61.300 -0.291 0.000 1.404 455 I CB -0.927 36.762 38.000 -0.519 0.000 1.071 455 I HN 0.120 nan 8.210 nan 0.000 0.419 456 I N -2.414 118.126 120.570 -0.051 0.000 3.444 456 I HA -0.027 4.143 4.170 0.001 0.000 0.287 456 I C 2.017 178.143 176.117 0.015 0.000 1.302 456 I CA 0.406 61.714 61.300 0.013 0.000 1.368 456 I CB -0.353 37.651 38.000 0.008 0.000 1.048 456 I HN -0.174 nan 8.210 nan 0.000 0.487 457 V N 3.064 122.980 119.914 0.004 0.000 2.256 457 V HA -0.162 3.958 4.120 0.001 0.000 0.240 457 V C 1.207 177.280 176.094 -0.036 0.000 1.036 457 V CA 2.441 64.710 62.300 -0.053 0.000 1.008 457 V CB -0.629 31.127 31.823 -0.113 0.000 0.648 457 V HN 0.789 nan 8.190 nan 0.000 0.453 458 D N -3.314 117.094 120.400 0.013 0.000 2.619 458 D HA -0.017 4.623 4.640 0.001 0.000 0.300 458 D C 0.983 177.311 176.300 0.046 0.000 1.502 458 D CA -0.385 53.624 54.000 0.015 0.000 0.865 458 D CB -1.048 39.724 40.800 -0.047 0.000 1.343 458 D HN 0.227 nan 8.370 nan 0.000 0.447 459 F N 1.522 121.431 119.950 -0.068 0.000 2.091 459 F HA -0.270 4.257 4.527 0.001 0.000 0.299 459 F C 2.333 178.053 175.800 -0.134 0.000 1.103 459 F CA 1.883 59.802 58.000 -0.136 0.000 1.228 459 F CB -0.039 38.841 39.000 -0.200 0.000 0.984 459 F HN 0.149 nan 8.300 nan 0.000 0.477 460 H N 0.322 119.373 119.070 -0.031 0.000 2.265 460 H HA -0.196 4.361 4.556 0.001 0.000 0.295 460 H C 1.722 176.990 175.328 -0.099 0.000 1.084 460 H CA 2.326 58.371 56.048 -0.005 0.000 1.261 460 H CB -0.512 29.382 29.762 0.219 0.000 1.360 460 H HN 0.280 nan 8.280 nan 0.000 0.487 461 D N 0.256 120.662 120.400 0.010 0.000 2.178 461 D HA -0.095 4.546 4.640 0.001 0.000 0.202 461 D C 2.302 178.492 176.300 -0.184 0.000 0.974 461 D CA 0.748 54.712 54.000 -0.061 0.000 0.841 461 D CB -0.057 40.752 40.800 0.015 0.000 0.953 461 D HN 0.209 nan 8.370 nan 0.000 0.478 462 K N 0.894 121.161 120.400 -0.223 0.000 2.001 462 K HA 0.019 4.340 4.320 0.001 0.000 0.208 462 K C 2.103 178.497 176.600 -0.343 0.000 1.048 462 K CA 0.368 56.505 56.287 -0.249 0.000 0.932 462 K CB -0.570 31.792 32.500 -0.231 0.000 0.715 462 K HN 0.101 nan 8.250 nan 0.000 0.437 463 I N 0.402 120.643 120.570 -0.548 0.000 2.361 463 I HA -0.296 3.874 4.170 0.001 0.000 0.251 463 I C 1.397 177.284 176.117 -0.383 0.000 1.133 463 I CA 1.341 62.314 61.300 -0.546 0.000 1.413 463 I CB 0.107 37.588 38.000 -0.866 0.000 1.073 463 I HN 0.105 nan 8.210 nan 0.000 0.424 464 K N 0.681 120.852 120.400 -0.382 0.000 2.031 464 K HA -0.099 4.221 4.320 0.001 0.000 0.205 464 K C 2.309 178.744 176.600 -0.274 0.000 1.049 464 K CA 1.678 57.777 56.287 -0.312 0.000 0.939 464 K CB -0.735 31.569 32.500 -0.326 0.000 0.717 464 K HN 0.486 nan 8.250 nan 0.000 0.438 465 S N 2.150 117.711 115.700 -0.233 0.000 2.356 465 S HA -0.139 4.331 4.470 0.001 0.000 0.223 465 S C 2.186 176.661 174.600 -0.209 0.000 1.032 465 S CA 1.399 59.486 58.200 -0.189 0.000 1.005 465 S CB -0.956 62.161 63.200 -0.138 0.000 0.867 465 S HN 0.450 nan 8.310 nan 0.000 0.449 466 I N 1.207 121.649 120.570 -0.213 0.000 2.916 466 I HA 0.016 4.186 4.170 0.001 0.000 0.267 466 I C 1.869 177.759 176.117 -0.378 0.000 1.263 466 I CA 1.323 62.506 61.300 -0.195 0.000 1.471 466 I CB -0.512 37.407 38.000 -0.135 0.000 1.089 466 I HN 0.498 nan 8.210 nan 0.000 0.468 467 S N 0.363 115.754 115.700 -0.515 0.000 2.603 467 S HA 0.278 4.748 4.470 0.001 0.000 0.232 467 S C 0.886 175.042 174.600 -0.740 0.000 1.016 467 S CA -0.601 57.023 58.200 -0.960 0.000 0.976 467 S CB 0.067 62.987 63.200 -0.467 0.000 0.921 467 S HN 0.548 nan 8.310 nan 0.000 0.516 468 R N 0.502 120.716 120.500 -0.476 0.000 3.770 468 R HA -0.175 4.166 4.340 0.001 0.000 0.305 468 R C 1.126 177.050 176.300 -0.627 0.000 1.184 468 R CA 0.614 56.474 56.100 -0.399 0.000 0.823 468 R CB -2.741 27.443 30.300 -0.194 0.000 1.285 468 R HN 1.341 nan 8.270 nan 0.000 0.499 469 G N -0.946 107.580 108.800 -0.457 0.000 2.179 469 G HA2 -0.366 3.594 3.960 0.001 0.000 0.260 469 G HA3 -0.366 3.594 3.960 0.001 0.000 0.260 469 G C 0.483 175.180 174.900 -0.338 0.000 0.977 469 G CA 0.482 45.349 45.100 -0.389 0.000 0.641 469 G HN 0.330 nan 8.290 nan 0.000 0.533 470 F N 1.339 121.243 119.950 -0.077 0.000 2.512 470 F HA 0.579 5.106 4.527 0.000 0.000 0.296 470 F C 1.999 177.822 175.800 0.038 0.000 1.110 470 F CA 0.279 58.288 58.000 0.015 0.000 1.446 470 F CB -0.090 38.966 39.000 0.094 0.000 1.092 470 F HN 0.407 nan 8.300 nan 0.000 0.554 471 A N 0.200 123.099 122.820 0.131 0.000 2.316 471 A HA 0.604 4.924 4.320 0.001 0.000 0.284 471 A C 0.247 177.896 177.584 0.107 0.000 1.115 471 A CA -0.112 51.998 52.037 0.121 0.000 0.812 471 A CB 0.191 19.224 19.000 0.056 0.000 1.064 471 A HN 0.189 nan 8.150 nan 0.000 0.489 472 S N 0.308 116.092 115.700 0.140 0.000 2.599 472 S HA 0.874 5.344 4.470 0.001 0.000 0.294 472 S C -0.783 173.941 174.600 0.206 0.000 1.094 472 S CA -0.547 57.720 58.200 0.111 0.000 0.931 472 S CB 1.303 64.532 63.200 0.047 0.000 1.093 472 S HN 1.562 nan 8.310 nan 0.000 0.488 473 Y N -1.074 119.262 120.300 0.060 0.000 2.638 473 Y HA 0.862 5.412 4.550 0.000 0.000 0.335 473 Y C -1.472 174.478 175.900 0.084 0.000 1.155 473 Y CA -0.874 57.297 58.100 0.118 0.000 1.046 473 Y CB 1.205 39.810 38.460 0.241 0.000 1.303 473 Y HN 0.779 nan 8.280 nan 0.000 0.460 474 D N 0.131 120.624 120.400 0.156 0.000 2.599 474 D HA 0.599 5.240 4.640 0.001 0.000 0.252 474 D C -1.880 174.548 176.300 0.212 0.000 1.232 474 D CA -0.379 53.612 54.000 -0.015 0.000 0.819 474 D CB 2.351 43.109 40.800 -0.070 0.000 1.401 474 D HN 0.682 nan 8.370 nan 0.000 0.429 475 Y N -0.847 119.509 120.300 0.094 0.000 2.638 475 Y HA 0.681 5.231 4.550 0.000 0.000 0.335 475 Y C -1.602 174.354 175.900 0.093 0.000 1.155 475 Y CA -1.067 57.094 58.100 0.102 0.000 1.046 475 Y CB 1.306 39.827 38.460 0.100 0.000 1.303 475 Y HN 0.318 nan 8.280 nan 0.000 0.460 476 E N 2.139 122.538 120.200 0.332 0.000 2.292 476 E HA 0.360 4.710 4.350 0.001 0.000 0.272 476 E C -1.912 174.874 176.600 0.310 0.000 0.881 476 E CA -0.992 55.563 56.400 0.258 0.000 0.754 476 E CB 1.839 31.633 29.700 0.156 0.000 1.201 476 E HN 0.654 nan 8.360 nan 0.000 0.425 477 F N 5.933 125.988 119.950 0.175 0.000 2.578 477 F HA 0.133 4.660 4.527 0.000 0.000 0.376 477 F C 0.672 176.532 175.800 0.101 0.000 1.085 477 F CA 0.245 58.322 58.000 0.128 0.000 1.260 477 F CB 0.444 39.511 39.000 0.111 0.000 1.095 477 F HN 0.530 nan 8.300 nan 0.000 0.573 478 I N 3.039 123.242 120.570 -0.612 0.000 4.147 478 I HA 0.651 4.821 4.170 0.001 0.000 0.329 478 I C 0.429 176.130 176.117 -0.693 0.000 1.424 478 I CA 0.213 61.212 61.300 -0.501 0.000 1.127 478 I CB -0.117 37.769 38.000 -0.189 0.000 1.128 478 I HN 0.835 nan 8.210 nan 0.000 0.417 479 G N 0.953 108.903 108.800 -1.416 0.000 2.479 479 G HA2 -0.082 3.878 3.960 0.001 0.000 0.686 479 G HA3 -0.082 3.878 3.960 0.001 0.000 0.686 479 G C -1.525 173.278 174.900 -0.161 0.000 1.295 479 G CA -0.913 43.798 45.100 -0.649 0.000 0.922 479 G HN 0.132 nan 8.290 nan 0.000 0.582 480 Y N 0.552 120.898 120.300 0.076 0.000 2.320 480 Y HA 0.760 5.310 4.550 0.001 0.000 0.324 480 Y C 1.344 177.293 175.900 0.082 0.000 1.190 480 Y CA 0.008 58.219 58.100 0.186 0.000 1.215 480 Y CB 1.550 40.138 38.460 0.213 0.000 1.221 480 Y HN 0.586 nan 8.280 nan 0.000 0.486 481 R N 3.219 123.867 120.500 0.248 0.000 2.651 481 R HA 0.373 4.713 4.340 0.001 0.000 0.278 481 R C -2.963 173.445 176.300 0.180 0.000 1.010 481 R CA -2.187 53.948 56.100 0.057 0.000 0.896 481 R CB 2.046 32.149 30.300 -0.328 0.000 1.211 481 R HN 0.366 nan 8.270 nan 0.000 0.456 482 P HA 0.105 nan 4.420 nan 0.000 0.271 482 P C -0.861 176.536 177.300 0.162 0.000 1.216 482 P CA -0.047 63.129 63.100 0.127 0.000 0.776 482 P CB 1.294 32.988 31.700 -0.010 0.000 0.881 483 S N 0.806 116.629 115.700 0.206 0.000 2.618 483 S HA 0.215 4.685 4.470 0.001 0.000 0.277 483 S C -0.909 173.727 174.600 0.059 0.000 1.138 483 S CA -0.538 57.779 58.200 0.194 0.000 0.844 483 S CB 1.301 64.691 63.200 0.317 0.000 1.127 483 S HN 0.436 nan 8.310 nan 0.000 0.474 484 D N 2.198 122.527 120.400 -0.118 0.000 2.558 484 D HA 0.321 4.961 4.640 0.001 0.000 0.221 484 D C -0.916 175.124 176.300 -0.434 0.000 1.143 484 D CA -0.014 53.823 54.000 -0.271 0.000 1.010 484 D CB -0.619 39.992 40.800 -0.314 0.000 1.068 484 D HN 0.305 nan 8.370 nan 0.000 0.511 485 L N 3.735 124.850 121.223 -0.181 0.000 2.322 485 L HA 0.549 4.889 4.340 0.001 0.000 0.279 485 L C 0.484 177.249 176.870 -0.176 0.000 1.036 485 L CA -0.937 53.790 54.840 -0.188 0.000 0.807 485 L CB 1.548 43.537 42.059 -0.118 0.000 1.226 485 L HN 0.228 nan 8.230 nan 0.000 0.433 486 I N -0.850 119.556 120.570 -0.273 0.000 2.934 486 I HA 0.565 4.735 4.170 0.001 0.000 0.306 486 I C -0.921 174.896 176.117 -0.501 0.000 1.110 486 I CA -1.022 60.106 61.300 -0.286 0.000 1.019 486 I CB 2.202 40.092 38.000 -0.184 0.000 1.227 486 I HN 0.504 nan 8.210 nan 0.000 0.434 487 K N 4.236 124.331 120.400 -0.508 0.000 2.183 487 K HA 0.619 4.939 4.320 0.001 0.000 0.274 487 K C -1.607 174.732 176.600 -0.434 0.000 1.009 487 K CA -0.587 55.356 56.287 -0.572 0.000 0.888 487 K CB 1.257 33.488 32.500 -0.447 0.000 1.078 487 K HN 0.695 nan 8.250 nan 0.000 0.459 488 L N 3.563 124.409 121.223 -0.627 0.000 2.329 488 L HA 0.404 4.744 4.340 0.001 0.000 0.279 488 L C 0.080 176.652 176.870 -0.497 0.000 1.014 488 L CA -0.901 53.565 54.840 -0.624 0.000 0.814 488 L CB 2.060 43.517 42.059 -1.003 0.000 1.257 488 L HN 0.810 nan 8.230 nan 0.000 0.424 489 T N -0.350 114.051 114.554 -0.254 0.000 2.895 489 T HA 0.679 5.030 4.350 0.001 0.000 0.283 489 T C -0.428 174.241 174.700 -0.052 0.000 1.014 489 T CA -0.747 61.278 62.100 -0.125 0.000 1.037 489 T CB 2.061 70.881 68.868 -0.079 0.000 1.006 489 T HN 0.175 nan 8.240 nan 0.000 0.468 490 V N 3.136 123.056 119.914 0.010 0.000 2.384 490 V HA 0.482 4.602 4.120 0.001 0.000 0.287 490 V C -0.715 175.380 176.094 0.001 0.000 1.020 490 V CA -0.818 61.505 62.300 0.039 0.000 0.850 490 V CB 0.925 32.806 31.823 0.097 0.000 0.987 490 V HN 0.747 nan 8.190 nan 0.000 0.436 491 L N 6.327 127.534 121.223 -0.026 0.000 2.322 491 L HA 0.607 4.947 4.340 0.001 0.000 0.281 491 L C -0.314 176.522 176.870 -0.056 0.000 1.014 491 L CA -0.036 54.776 54.840 -0.047 0.000 0.815 491 L CB 1.587 43.601 42.059 -0.075 0.000 1.247 491 L HN 0.458 nan 8.230 nan 0.000 0.421 492 I N 4.172 124.723 120.570 -0.033 0.000 2.420 492 I HA 0.356 4.526 4.170 0.001 0.000 0.282 492 I C -0.508 175.610 176.117 0.001 0.000 1.019 492 I CA -0.491 60.801 61.300 -0.014 0.000 1.130 492 I CB 0.792 38.792 38.000 0.001 0.000 1.262 492 I HN 0.634 nan 8.210 nan 0.000 0.454 493 N N 5.399 124.106 118.700 0.012 0.000 2.806 493 N HA -0.166 4.574 4.740 0.001 0.000 0.248 493 N C 0.347 175.868 175.510 0.018 0.000 1.081 493 N CA 0.362 53.442 53.050 0.049 0.000 0.680 493 N CB -0.720 37.806 38.487 0.065 0.000 0.941 493 N HN 0.660 nan 8.380 nan 0.000 0.554 494 K N -2.533 117.850 120.400 -0.029 0.000 3.495 494 K HA -0.228 4.092 4.320 0.001 0.000 0.315 494 K C -0.232 176.353 176.600 -0.025 0.000 1.301 494 K CA 1.656 57.923 56.287 -0.032 0.000 0.985 494 K CB -0.466 32.039 32.500 0.009 0.000 1.244 494 K HN 0.435 nan 8.250 nan 0.000 0.433 495 K N 0.488 120.877 120.400 -0.019 0.000 2.323 495 K HA 0.357 4.677 4.320 0.001 0.000 0.259 495 K C -2.568 174.020 176.600 -0.020 0.000 0.947 495 K CA -2.329 53.949 56.287 -0.015 0.000 0.819 495 K CB 1.617 34.115 32.500 -0.005 0.000 1.109 495 K HN -0.100 nan 8.250 nan 0.000 0.429 496 P HA 0.106 nan 4.420 nan 0.000 0.272 496 P C -0.471 176.821 177.300 -0.013 0.000 1.230 496 P CA -0.384 62.705 63.100 -0.018 0.000 0.788 496 P CB 0.790 32.479 31.700 -0.018 0.000 0.949 497 V N 2.424 122.333 119.914 -0.008 0.000 2.357 497 V HA 0.059 4.179 4.120 0.001 0.000 0.281 497 V C 0.764 176.862 176.094 0.006 0.000 1.015 497 V CA -0.129 62.165 62.300 -0.010 0.000 0.827 497 V CB 0.713 32.528 31.823 -0.015 0.000 1.018 497 V HN 0.407 nan 8.190 nan 0.000 0.432 498 D N 3.952 124.356 120.400 0.007 0.000 2.149 498 D HA -0.221 4.419 4.640 0.001 0.000 0.194 498 D C 2.117 178.449 176.300 0.054 0.000 1.001 498 D CA 1.958 55.974 54.000 0.028 0.000 0.849 498 D CB 0.081 40.899 40.800 0.030 0.000 0.939 498 D HN 0.684 nan 8.370 nan 0.000 0.449 499 A N -0.214 122.630 122.820 0.040 0.000 2.121 499 A HA -0.028 4.292 4.320 0.001 0.000 0.218 499 A C 1.849 179.489 177.584 0.093 0.000 1.154 499 A CA 0.719 52.800 52.037 0.073 0.000 0.679 499 A CB -0.401 18.589 19.000 -0.016 0.000 0.795 499 A HN 0.272 nan 8.150 nan 0.000 0.458 500 L N 0.416 121.688 121.223 0.082 0.000 2.640 500 L HA 0.090 4.431 4.340 0.001 0.000 0.230 500 L C 0.769 177.775 176.870 0.228 0.000 1.123 500 L CA 0.009 54.926 54.840 0.129 0.000 0.900 500 L CB -0.043 42.072 42.059 0.093 0.000 1.146 500 L HN 0.381 nan 8.230 nan 0.000 0.484 501 S N 1.147 116.938 115.700 0.152 0.000 2.564 501 S HA 0.455 4.926 4.470 0.001 0.000 0.278 501 S C -0.384 174.330 174.600 0.190 0.000 1.333 501 S CA -0.564 57.690 58.200 0.089 0.000 1.048 501 S CB 0.592 63.793 63.200 0.001 0.000 0.900 501 S HN 0.216 nan 8.310 nan 0.000 0.505 502 F N -0.526 119.411 119.950 -0.022 0.000 2.643 502 F HA 0.764 5.292 4.527 0.001 0.000 0.314 502 F C -1.317 174.412 175.800 -0.119 0.000 1.096 502 F CA -1.843 56.147 58.000 -0.017 0.000 0.953 502 F CB 0.837 39.863 39.000 0.044 0.000 1.345 502 F HN 0.319 nan 8.300 nan 0.000 0.468 503 I N 3.054 123.646 120.570 0.037 0.000 2.377 503 I HA 0.695 4.865 4.170 0.001 0.000 0.293 503 I C -0.482 175.666 176.117 0.050 0.000 0.987 503 I CA -0.969 60.163 61.300 -0.279 0.000 1.185 503 I CB 1.064 38.648 38.000 -0.692 0.000 1.341 503 I HN 0.702 nan 8.210 nan 0.000 0.455 504 V N 5.651 125.523 119.914 -0.069 0.000 3.114 504 V HA 0.417 4.538 4.120 0.001 0.000 0.308 504 V C -0.650 175.394 176.094 -0.083 0.000 1.168 504 V CA -0.635 61.685 62.300 0.033 0.000 1.015 504 V CB 2.488 34.392 31.823 0.134 0.000 1.050 504 V HN 0.824 nan 8.190 nan 0.000 0.433 505 H N 3.144 122.115 119.070 -0.164 0.000 2.732 505 H HA 0.359 4.915 4.556 0.001 0.000 0.351 505 H C 1.096 176.344 175.328 -0.133 0.000 1.090 505 H CA 0.637 56.614 56.048 -0.120 0.000 1.431 505 H CB 2.066 31.762 29.762 -0.111 0.000 1.447 505 H HN 0.917 nan 8.280 nan 0.000 0.582 506 A N 4.528 127.204 122.820 -0.239 0.000 1.927 506 A HA -0.236 4.084 4.320 0.001 0.000 0.220 506 A C 1.879 179.504 177.584 0.069 0.000 1.185 506 A CA 2.003 53.992 52.037 -0.080 0.000 0.639 506 A CB -0.213 18.711 19.000 -0.126 0.000 0.820 506 A HN 0.818 nan 8.150 nan 0.000 0.451 507 D N -0.915 119.659 120.400 0.289 0.000 2.269 507 D HA -0.063 4.577 4.640 0.001 0.000 0.208 507 D C 1.798 178.099 176.300 0.001 0.000 0.963 507 D CA 0.762 54.834 54.000 0.120 0.000 0.864 507 D CB -0.238 40.606 40.800 0.073 0.000 0.936 507 D HN 0.489 nan 8.370 nan 0.000 0.505 508 R N 0.314 120.777 120.500 -0.062 0.000 2.334 508 R HA 0.308 4.648 4.340 0.001 0.000 0.216 508 R C 1.872 178.037 176.300 -0.225 0.000 0.905 508 R CA 0.170 56.122 56.100 -0.247 0.000 1.064 508 R CB 0.345 30.304 30.300 -0.569 0.000 1.046 508 R HN 0.017 nan 8.270 nan 0.000 0.508 509 A N 1.642 124.408 122.820 -0.090 0.000 1.859 509 A HA -0.307 4.013 4.320 0.001 0.000 0.217 509 A C 2.152 179.792 177.584 0.092 0.000 1.198 509 A CA 1.697 53.739 52.037 0.007 0.000 0.629 509 A CB -0.459 18.530 19.000 -0.018 0.000 0.830 509 A HN 0.175 nan 8.150 nan 0.000 0.446 510 Q N -0.205 119.630 119.800 0.058 0.000 2.077 510 Q HA -0.232 4.108 4.340 0.001 0.000 0.206 510 Q C 2.087 178.159 176.000 0.120 0.000 0.989 510 Q CA 2.621 58.470 55.803 0.077 0.000 0.853 510 Q CB -0.305 28.463 28.738 0.049 0.000 0.907 510 Q HN 0.693 nan 8.270 nan 0.000 0.418 511 K N -1.124 119.350 120.400 0.125 0.000 2.057 511 K HA -0.102 4.218 4.320 0.001 0.000 0.206 511 K C 1.996 178.784 176.600 0.313 0.000 1.050 511 K CA 1.364 57.758 56.287 0.178 0.000 0.935 511 K CB -0.316 32.281 32.500 0.162 0.000 0.715 511 K HN 0.292 nan 8.250 nan 0.000 0.439 512 F N 0.469 120.465 119.950 0.076 0.000 2.186 512 F HA -0.188 4.340 4.527 0.001 0.000 0.299 512 F C 2.420 178.280 175.800 0.100 0.000 1.090 512 F CA 0.277 58.318 58.000 0.068 0.000 1.307 512 F CB -0.081 39.011 39.000 0.153 0.000 1.019 512 F HN 0.205 nan 8.300 nan 0.000 0.489 513 A N 0.553 123.601 122.820 0.380 0.000 1.877 513 A HA -0.221 4.099 4.320 0.001 0.000 0.216 513 A C 2.092 179.775 177.584 0.165 0.000 1.186 513 A CA 1.642 53.858 52.037 0.298 0.000 0.620 513 A CB -0.713 18.413 19.000 0.210 0.000 0.822 513 A HN 0.271 nan 8.150 nan 0.000 0.443 514 R N -1.044 119.534 120.500 0.130 0.000 2.073 514 R HA -0.126 4.214 4.340 0.001 0.000 0.234 514 R C 2.567 178.897 176.300 0.050 0.000 1.134 514 R CA 1.718 57.867 56.100 0.082 0.000 0.952 514 R CB -0.308 30.036 30.300 0.073 0.000 0.850 514 R HN 0.631 nan 8.270 nan 0.000 0.433 515 R N 0.488 121.011 120.500 0.039 0.000 2.080 515 R HA -0.138 4.202 4.340 0.001 0.000 0.236 515 R C 1.989 178.251 176.300 -0.063 0.000 1.137 515 R CA 1.786 57.869 56.100 -0.028 0.000 0.943 515 R CB -0.355 29.897 30.300 -0.080 0.000 0.846 515 R HN 0.062 nan 8.270 nan 0.000 0.431 516 V N 1.222 121.086 119.914 -0.084 0.000 2.392 516 V HA -0.245 3.876 4.120 0.001 0.000 0.249 516 V C 2.511 178.591 176.094 -0.023 0.000 1.059 516 V CA 1.938 64.173 62.300 -0.108 0.000 1.051 516 V CB -0.761 30.972 31.823 -0.151 0.000 0.658 516 V HN 0.601 nan 8.190 nan 0.000 0.455 517 A N -0.379 122.456 122.820 0.024 0.000 1.855 517 A HA -0.220 4.100 4.320 0.001 0.000 0.215 517 A C 2.176 179.773 177.584 0.021 0.000 1.191 517 A CA 1.712 53.771 52.037 0.037 0.000 0.613 517 A CB -0.505 18.530 19.000 0.057 0.000 0.829 517 A HN 0.587 nan 8.150 nan 0.000 0.442 518 E N -0.620 119.588 120.200 0.014 0.000 2.160 518 E HA -0.234 4.116 4.350 0.001 0.000 0.195 518 E C 2.020 178.616 176.600 -0.007 0.000 0.991 518 E CA 1.398 57.802 56.400 0.007 0.000 0.810 518 E CB -0.067 29.635 29.700 0.003 0.000 0.742 518 E HN 0.492 nan 8.360 nan 0.000 0.466 519 K N 0.886 121.272 120.400 -0.023 0.000 2.057 519 K HA -0.129 4.192 4.320 0.001 0.000 0.206 519 K C 1.792 178.379 176.600 -0.022 0.000 1.050 519 K CA 0.857 57.123 56.287 -0.035 0.000 0.935 519 K CB -0.218 32.242 32.500 -0.065 0.000 0.715 519 K HN -0.017 nan 8.250 nan 0.000 0.439 520 L N 1.080 122.295 121.223 -0.013 0.000 2.141 520 L HA 0.027 4.367 4.340 0.001 0.000 0.209 520 L C 2.428 179.302 176.870 0.007 0.000 1.094 520 L CA 1.569 56.408 54.840 -0.002 0.000 0.763 520 L CB -0.654 41.409 42.059 0.007 0.000 0.908 520 L HN 0.245 nan 8.230 nan 0.000 0.437 521 R N -0.163 120.345 120.500 0.013 0.000 2.152 521 R HA -0.166 4.174 4.340 0.001 0.000 0.232 521 R C 1.744 178.050 176.300 0.010 0.000 1.117 521 R CA 1.565 57.677 56.100 0.019 0.000 0.981 521 R CB 0.037 30.351 30.300 0.023 0.000 0.870 521 R HN 0.492 nan 8.270 nan 0.000 0.451 522 E N -1.109 119.092 120.200 0.002 0.000 2.251 522 E HA 0.009 4.360 4.350 0.001 0.000 0.194 522 E C 1.618 178.216 176.600 -0.005 0.000 0.964 522 E CA 0.960 57.359 56.400 -0.002 0.000 0.868 522 E CB 0.260 29.955 29.700 -0.008 0.000 0.828 522 E HN 0.262 nan 8.360 nan 0.000 0.481 523 T N 2.945 117.494 114.554 -0.007 0.000 2.542 523 T HA -0.071 4.279 4.350 0.001 0.000 0.257 523 T C 1.326 176.023 174.700 -0.005 0.000 1.111 523 T CA 0.904 62.998 62.100 -0.010 0.000 1.203 523 T CB -0.526 68.334 68.868 -0.014 0.000 0.866 523 T HN 0.202 nan 8.240 nan 0.000 0.399 524 I N 2.536 123.105 120.570 -0.002 0.000 2.815 524 I HA 0.196 4.367 4.170 0.001 0.000 0.291 524 I C -1.923 174.196 176.117 0.003 0.000 1.209 524 I CA -1.799 59.501 61.300 -0.001 0.000 1.431 524 I CB -0.043 37.959 38.000 0.003 0.000 1.351 524 I HN 0.143 nan 8.210 nan 0.000 0.585 525 P HA 0.234 nan 4.420 nan 0.000 0.293 525 P C -0.951 176.354 177.300 0.008 0.000 1.298 525 P CA -0.376 62.726 63.100 0.003 0.000 0.757 525 P CB 0.527 32.226 31.700 -0.002 0.000 1.262 526 R N -0.422 120.083 120.500 0.009 0.000 2.486 526 R HA 0.433 4.773 4.340 0.001 0.000 0.286 526 R C 0.381 176.688 176.300 0.013 0.000 0.999 526 R CA -0.518 55.591 56.100 0.017 0.000 0.993 526 R CB 1.002 31.313 30.300 0.018 0.000 1.084 526 R HN 0.511 nan 8.270 nan 0.000 0.487 527 Q N 0.687 120.501 119.800 0.024 0.000 2.445 527 Q HA 0.184 4.525 4.340 0.001 0.000 0.281 527 Q C 0.458 176.483 176.000 0.041 0.000 1.101 527 Q CA -0.834 54.973 55.803 0.008 0.000 0.833 527 Q CB 1.550 30.284 28.738 -0.008 0.000 1.416 527 Q HN 0.313 nan 8.270 nan 0.000 0.451 528 L N 0.129 121.354 121.223 0.003 0.000 2.187 528 L HA 0.046 4.387 4.340 0.001 0.000 0.213 528 L C -0.196 176.904 176.870 0.382 0.000 1.100 528 L CA 1.766 56.664 54.840 0.095 0.000 0.765 528 L CB -0.021 42.024 42.059 -0.023 0.000 0.904 528 L HN 0.420 nan 8.230 nan 0.000 0.437 529 F N -0.473 119.479 119.950 0.004 0.000 2.497 529 F HA 0.278 4.805 4.527 0.000 0.000 0.331 529 F C 0.756 176.560 175.800 0.008 0.000 1.060 529 F CA -1.362 56.641 58.000 0.005 0.000 0.989 529 F CB 0.808 39.812 39.000 0.008 0.000 1.245 529 F HN -0.215 nan 8.300 nan 0.000 0.486 530 E N 1.094 121.399 120.200 0.174 0.000 2.384 530 E HA 0.152 4.502 4.350 0.001 0.000 0.266 530 E C -1.278 175.393 176.600 0.118 0.000 1.012 530 E CA -0.284 56.172 56.400 0.094 0.000 0.901 530 E CB 1.160 30.873 29.700 0.022 0.000 0.967 530 E HN 0.277 nan 8.360 nan 0.000 0.435 531 V N 5.842 125.815 119.914 0.099 0.000 2.304 531 V HA 0.109 4.230 4.120 0.001 0.000 0.269 531 V C -0.058 176.123 176.094 0.145 0.000 1.036 531 V CA -0.406 61.959 62.300 0.109 0.000 0.840 531 V CB 0.560 32.429 31.823 0.077 0.000 1.036 531 V HN 0.633 nan 8.190 nan 0.000 0.466 532 H N 5.606 124.696 119.070 0.034 0.000 2.604 532 H HA 0.567 5.123 4.556 0.001 0.000 0.306 532 H C -0.727 174.616 175.328 0.025 0.000 1.075 532 H CA -0.793 55.270 56.048 0.025 0.000 1.357 532 H CB 0.937 30.712 29.762 0.022 0.000 1.426 532 H HN 0.545 nan 8.280 nan 0.000 0.470 533 I N 5.200 125.868 120.570 0.162 0.000 2.377 533 I HA 0.203 4.373 4.170 0.001 0.000 0.293 533 I C -0.577 175.493 176.117 -0.079 0.000 0.987 533 I CA -0.437 60.871 61.300 0.013 0.000 1.185 533 I CB 1.752 39.785 38.000 0.056 0.000 1.341 533 I HN 0.568 nan 8.210 nan 0.000 0.455 534 Q N 4.896 124.614 119.800 -0.137 0.000 2.372 534 Q HA 0.596 4.937 4.340 0.001 0.000 0.273 534 Q C -1.453 174.524 176.000 -0.038 0.000 1.078 534 Q CA -0.837 54.891 55.803 -0.126 0.000 0.806 534 Q CB 3.609 32.202 28.738 -0.241 0.000 1.332 534 Q HN 0.374 nan 8.270 nan 0.000 0.435 535 V N 1.525 121.440 119.914 0.001 0.000 2.350 535 V HA 0.703 4.824 4.120 0.001 0.000 0.285 535 V C -0.562 175.527 176.094 -0.008 0.000 1.014 535 V CA -0.543 61.775 62.300 0.030 0.000 0.831 535 V CB 1.207 33.093 31.823 0.106 0.000 1.000 535 V HN 0.836 nan 8.190 nan 0.000 0.433 536 A N 4.579 127.374 122.820 -0.042 0.000 2.325 536 A HA 0.786 5.106 4.320 0.001 0.000 0.333 536 A C -0.220 177.313 177.584 -0.085 0.000 1.155 536 A CA -0.748 51.257 52.037 -0.054 0.000 0.814 536 A CB 1.127 20.096 19.000 -0.052 0.000 1.206 536 A HN 0.762 nan 8.150 nan 0.000 0.482 537 K N 1.908 122.267 120.400 -0.068 0.000 2.464 537 K HA 0.466 4.786 4.320 0.001 0.000 0.252 537 K C 0.524 177.088 176.600 -0.061 0.000 1.000 537 K CA 0.284 56.521 56.287 -0.083 0.000 0.951 537 K CB 0.260 32.721 32.500 -0.066 0.000 1.183 537 K HN 1.737 nan 8.250 nan 0.000 0.445 538 G N 3.065 111.826 108.800 -0.065 0.000 2.366 538 G HA2 -0.226 3.734 3.960 0.001 0.000 0.299 538 G HA3 -0.226 3.734 3.960 0.001 0.000 0.299 538 G C 0.734 175.616 174.900 -0.030 0.000 1.020 538 G CA 0.539 45.614 45.100 -0.041 0.000 1.026 538 G HN 1.357 nan 8.290 nan 0.000 0.512 539 G N -0.795 107.985 108.800 -0.033 0.000 2.399 539 G HA2 -0.162 3.798 3.960 0.001 0.000 0.216 539 G HA3 -0.162 3.798 3.960 0.001 0.000 0.216 539 G C 0.600 175.486 174.900 -0.023 0.000 1.096 539 G CA 0.837 45.922 45.100 -0.024 0.000 0.650 539 G HN 1.913 nan 8.290 nan 0.000 0.512 540 K N 1.106 121.492 120.400 -0.022 0.000 2.174 540 K HA 0.715 5.035 4.320 0.001 0.000 0.275 540 K C -0.063 176.527 176.600 -0.018 0.000 1.015 540 K CA -0.785 55.492 56.287 -0.015 0.000 0.933 540 K CB 2.448 34.942 32.500 -0.010 0.000 1.025 540 K HN 0.149 nan 8.250 nan 0.000 0.463 541 V N 4.607 124.514 119.914 -0.010 0.000 2.583 541 V HA 0.105 4.225 4.120 0.001 0.000 0.287 541 V C 1.013 177.112 176.094 0.007 0.000 1.051 541 V CA -0.316 61.980 62.300 -0.007 0.000 1.010 541 V CB 0.621 32.441 31.823 -0.004 0.000 0.988 541 V HN 0.950 nan 8.190 nan 0.000 0.478 542 I N 1.260 121.838 120.570 0.013 0.000 4.338 542 I HA 0.763 4.933 4.170 0.001 0.000 0.329 542 I C 0.438 176.581 176.117 0.043 0.000 1.378 542 I CA -0.077 61.238 61.300 0.026 0.000 1.170 542 I CB 0.688 38.700 38.000 0.021 0.000 1.206 542 I HN 0.512 nan 8.210 nan 0.000 0.432 543 A N 0.718 123.567 122.820 0.048 0.000 2.488 543 A HA 0.756 5.077 4.320 0.001 0.000 0.295 543 A C -0.910 176.711 177.584 0.062 0.000 1.045 543 A CA -0.323 51.751 52.037 0.062 0.000 0.703 543 A CB 1.727 20.775 19.000 0.081 0.000 1.271 543 A HN 0.155 nan 8.150 nan 0.000 0.400 544 S N 0.834 116.583 115.700 0.082 0.000 2.548 544 S HA 0.831 5.301 4.470 0.001 0.000 0.286 544 S C -1.197 173.477 174.600 0.125 0.000 1.098 544 S CA -0.238 58.040 58.200 0.130 0.000 0.930 544 S CB 1.768 65.087 63.200 0.197 0.000 1.070 544 S HN 0.832 nan 8.310 nan 0.000 0.480 545 E N 1.123 121.423 120.200 0.167 0.000 2.363 545 E HA 0.504 4.854 4.350 0.001 0.000 0.281 545 E C -1.567 175.127 176.600 0.156 0.000 0.953 545 E CA -0.411 56.059 56.400 0.118 0.000 0.778 545 E CB 1.485 31.233 29.700 0.080 0.000 1.220 545 E HN 0.633 nan 8.360 nan 0.000 0.431 546 R N 2.920 123.467 120.500 0.079 0.000 2.744 546 R HA 0.627 4.968 4.340 0.001 0.000 0.279 546 R C -0.520 175.801 176.300 0.035 0.000 0.977 546 R CA -0.833 55.300 56.100 0.054 0.000 0.906 546 R CB 1.775 32.052 30.300 -0.038 0.000 1.197 546 R HN 0.454 nan 8.270 nan 0.000 0.463 547 I N 3.572 124.168 120.570 0.043 0.000 2.405 547 I HA 0.210 4.380 4.170 0.001 0.000 0.280 547 I C -0.007 176.129 176.117 0.032 0.000 1.027 547 I CA -0.976 60.345 61.300 0.035 0.000 1.161 547 I CB 1.118 39.142 38.000 0.041 0.000 1.300 547 I HN 0.222 nan 8.210 nan 0.000 0.463 548 K N 6.979 127.390 120.400 0.019 0.000 2.494 548 K HA 0.123 4.444 4.320 0.001 0.000 0.273 548 K C -2.111 174.511 176.600 0.036 0.000 0.970 548 K CA -1.278 55.020 56.287 0.018 0.000 0.963 548 K CB -0.154 32.350 32.500 0.007 0.000 0.913 548 K HN 0.307 nan 8.250 nan 0.000 0.502 549 P HA -0.120 nan 4.420 nan 0.000 0.267 549 P C 0.220 177.554 177.300 0.056 0.000 1.195 549 P CA -0.010 63.135 63.100 0.075 0.000 0.773 549 P CB 0.462 32.209 31.700 0.078 0.000 0.837 550 L N 2.962 124.222 121.223 0.061 0.000 2.774 550 L HA 0.003 4.343 4.340 0.001 0.000 0.284 550 L C 0.936 177.826 176.870 0.033 0.000 1.149 550 L CA 0.801 55.664 54.840 0.039 0.000 1.069 550 L CB -0.808 41.269 42.059 0.031 0.000 1.407 550 L HN 0.522 nan 8.230 nan 0.000 0.460 551 R N 0.000 120.515 120.500 0.025 0.000 2.786 551 R HA 0.000 4.340 4.340 0.001 0.000 0.208 551 R CA 0.000 56.111 56.100 0.019 0.000 0.921 551 R CB 0.000 30.313 30.300 0.021 0.000 0.687 551 R HN 0.000 nan 8.270 nan 0.000 0.535