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 1e6v_1_E DATA FIRST_RESID 7 DATA SEQUENCE DTVDLYDDRG NCVAEEVPIE VLSPMRNEAI QSIVNDIKRT VAVDLEGIEN DATA SEQUENCE ALQNATVGGK GMKIPGREMD VDIVDNAEAI ADEIEKMIRV YQDDDTNVEP DATA SEQUENCE MYDGKRLLVQ LPSERVKVMA DPYSGTLQAG MAVVHAIIDV CEVDMWDANM DATA SEQUENCE VKAAVFGRYP QTIDYFGGNV ASMLDVPMKQ EGVGYALRNI MVNHIVAATR DATA SEQUENCE KNTMQAVCLA ATLQQTAMFE MGDALGPFER LHLLGYAYQG LNADNMVYDI DATA SEQUENCE VKKHGKEGTV GTVVREVVER ALEDGVIEVK EELPSFKVYK ANDMDLWNAY DATA SEQUENCE AAAGLVAAVM VNQGAARAAQ GVSATILYYN DLLEYETGLP GVDFGRAEGT DATA SEQUENCE AVGFSFFSHS IYGGGGPGIF HGNHIVTRHS KGFAIPPVAA AMALDAGTQM DATA SEQUENCE FSPEVTSKLI GDVFGEIDEF REPMKYITEA AAEEAK 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 7 D HA 0.000 nan 4.640 nan 0.000 0.175 7 D C 0.000 176.361 176.300 0.102 0.000 2.045 7 D CA 0.000 54.056 54.000 0.094 0.000 0.868 7 D CB 0.000 40.865 40.800 0.108 0.000 0.688 8 T N -1.368 113.249 114.554 0.105 0.000 2.906 8 T HA 0.557 4.907 4.350 -0.000 0.000 0.302 8 T C 0.123 174.889 174.700 0.111 0.000 1.002 8 T CA -0.786 61.370 62.100 0.093 0.000 0.988 8 T CB 1.283 70.192 68.868 0.069 0.000 0.972 8 T HN 0.211 nan 8.240 nan 0.000 0.447 9 V N -0.116 119.862 119.914 0.107 0.000 2.539 9 V HA 0.641 4.760 4.120 -0.000 0.000 0.292 9 V C -0.453 175.668 176.094 0.046 0.000 1.045 9 V CA -0.879 61.473 62.300 0.087 0.000 0.945 9 V CB 1.121 32.977 31.823 0.055 0.000 0.993 9 V HN 0.737 nan 8.190 nan 0.000 0.464 10 D N 3.431 123.868 120.400 0.062 0.000 2.304 10 D HA 0.550 5.190 4.640 -0.000 0.000 0.247 10 D C -0.348 176.002 176.300 0.084 0.000 1.089 10 D CA 0.147 54.183 54.000 0.060 0.000 0.910 10 D CB 1.687 42.581 40.800 0.158 0.000 1.199 10 D HN 0.570 nan 8.370 nan 0.000 0.426 11 L N 2.314 123.521 121.223 -0.026 0.000 2.333 11 L HA 0.398 4.738 4.340 -0.000 0.000 0.280 11 L C -0.893 175.944 176.870 -0.054 0.000 1.004 11 L CA -0.901 53.947 54.840 0.013 0.000 0.820 11 L CB 0.791 42.820 42.059 -0.049 0.000 1.247 11 L HN 0.251 nan 8.230 nan 0.000 0.416 12 Y N 0.077 120.305 120.300 -0.119 0.000 2.562 12 Y HA 0.376 4.925 4.550 -0.000 0.000 0.343 12 Y C 0.241 176.061 175.900 -0.134 0.000 1.025 12 Y CA -1.389 56.633 58.100 -0.130 0.000 1.082 12 Y CB 1.264 39.634 38.460 -0.149 0.000 1.264 12 Y HN 0.628 nan 8.280 nan 0.000 0.478 13 D N -0.911 119.492 120.400 0.006 0.000 2.453 13 D HA 0.016 4.656 4.640 -0.000 0.000 0.282 13 D C 0.608 176.860 176.300 -0.079 0.000 1.222 13 D CA -0.190 53.783 54.000 -0.045 0.000 1.079 13 D CB 0.104 40.865 40.800 -0.065 0.000 1.128 13 D HN 0.591 nan 8.370 nan 0.000 0.568 14 D N -1.420 118.946 120.400 -0.056 0.000 2.363 14 D HA -0.102 4.538 4.640 -0.000 0.000 0.220 14 D C 1.080 177.335 176.300 -0.075 0.000 0.994 14 D CA 0.361 54.348 54.000 -0.021 0.000 0.890 14 D CB -0.084 40.734 40.800 0.030 0.000 0.906 14 D HN 0.272 nan 8.370 nan 0.000 0.530 15 R N -0.990 119.377 120.500 -0.221 0.000 2.472 15 R HA 0.342 4.681 4.340 -0.000 0.000 0.279 15 R C 1.165 176.977 176.300 -0.814 0.000 0.953 15 R CA 0.475 56.392 56.100 -0.304 0.000 1.088 15 R CB 0.933 31.168 30.300 -0.108 0.000 1.197 15 R HN 0.207 nan 8.270 nan 0.000 0.536 16 G N 0.488 108.670 108.800 -1.030 0.000 2.175 16 G HA2 -0.250 3.709 3.960 -0.000 0.000 0.244 16 G HA3 -0.250 3.709 3.960 -0.000 0.000 0.244 16 G C -0.339 174.453 174.900 -0.180 0.000 0.982 16 G CA -0.347 44.134 45.100 -1.032 0.000 0.641 16 G HN 0.247 nan 8.290 nan 0.000 0.527 17 N N -0.139 118.496 118.700 -0.108 0.000 2.524 17 N HA 0.403 5.143 4.740 -0.000 0.000 0.283 17 N C 0.256 175.736 175.510 -0.050 0.000 1.142 17 N CA 0.054 53.097 53.050 -0.011 0.000 0.984 17 N CB 1.553 39.999 38.487 -0.068 0.000 1.155 17 N HN 0.308 nan 8.380 nan 0.000 0.467 18 C N 1.981 121.128 119.300 -0.254 0.000 2.514 18 C HA 0.330 4.790 4.460 -0.000 0.000 0.392 18 C C 1.703 176.477 174.990 -0.359 0.000 1.294 18 C CA -0.375 58.240 59.018 -0.673 0.000 1.957 18 C CB -1.075 26.218 27.740 -0.745 0.000 2.541 18 C HN 0.586 nan 8.230 nan 0.000 0.569 19 V N 3.002 122.717 119.914 -0.332 0.000 3.451 19 V HA 0.634 4.754 4.120 -0.000 0.000 0.288 19 V C 0.374 176.369 176.094 -0.165 0.000 1.502 19 V CA 0.683 62.867 62.300 -0.194 0.000 1.026 19 V CB -0.654 31.086 31.823 -0.138 0.000 0.840 19 V HN 1.282 nan 8.190 nan 0.000 0.437 20 A N -0.338 122.364 122.820 -0.197 0.000 2.540 20 A HA 0.737 5.057 4.320 -0.000 0.000 0.297 20 A C -0.113 177.388 177.584 -0.140 0.000 1.056 20 A CA -0.413 51.543 52.037 -0.135 0.000 0.700 20 A CB 1.751 20.696 19.000 -0.091 0.000 1.280 20 A HN 0.043 nan 8.150 nan 0.000 0.398 21 E N 0.977 121.120 120.200 -0.095 0.000 3.607 21 E HA 0.082 4.432 4.350 -0.000 0.000 0.550 21 E C -0.286 176.292 176.600 -0.036 0.000 0.246 21 E CA 0.257 56.613 56.400 -0.073 0.000 3.269 21 E CB -0.095 29.574 29.700 -0.050 0.000 2.315 21 E HN 0.734 nan 8.360 nan 0.000 0.350 22 E N 0.861 121.053 120.200 -0.012 0.000 1.858 22 E HA 0.126 4.475 4.350 -0.000 0.000 0.267 22 E C -0.996 175.613 176.600 0.014 0.000 1.215 22 E CA -0.109 56.297 56.400 0.011 0.000 0.952 22 E CB 0.436 30.147 29.700 0.019 0.000 1.058 22 E HN -0.022 nan 8.360 nan 0.000 0.407 23 V N 6.520 126.445 119.914 0.019 0.000 2.348 23 V HA 0.209 4.328 4.120 -0.000 0.000 0.270 23 V C -1.896 174.228 176.094 0.049 0.000 1.037 23 V CA -2.082 60.233 62.300 0.025 0.000 0.872 23 V CB 0.630 32.462 31.823 0.015 0.000 1.002 23 V HN 0.530 nan 8.190 nan 0.000 0.464 24 P HA 0.120 nan 4.420 nan 0.000 0.267 24 P C 1.170 178.520 177.300 0.084 0.000 1.209 24 P CA 0.002 63.142 63.100 0.067 0.000 0.763 24 P CB 0.794 32.527 31.700 0.056 0.000 0.816 25 I N 0.647 121.283 120.570 0.111 0.000 2.700 25 I HA -0.230 3.940 4.170 -0.000 0.000 0.261 25 I C 1.049 177.256 176.117 0.149 0.000 1.219 25 I CA 1.279 62.666 61.300 0.145 0.000 1.463 25 I CB -0.914 37.194 38.000 0.181 0.000 1.092 25 I HN 0.135 nan 8.210 nan 0.000 0.452 26 E N 1.559 121.831 120.200 0.119 0.000 2.268 26 E HA -0.073 4.276 4.350 -0.000 0.000 0.195 26 E C 2.090 178.735 176.600 0.074 0.000 0.995 26 E CA 0.778 57.242 56.400 0.107 0.000 0.836 26 E CB -0.291 29.462 29.700 0.088 0.000 0.763 26 E HN 0.398 nan 8.360 nan 0.000 0.491 27 V N 0.642 120.596 119.914 0.067 0.000 3.217 27 V HA -0.082 4.038 4.120 -0.000 0.000 0.264 27 V C 1.021 177.145 176.094 0.049 0.000 1.135 27 V CA 0.818 63.145 62.300 0.045 0.000 1.142 27 V CB -0.059 31.788 31.823 0.040 0.000 0.754 27 V HN 0.271 nan 8.190 nan 0.000 0.484 28 L N 0.015 121.290 121.223 0.087 0.000 2.607 28 L HA 0.256 4.596 4.340 -0.000 0.000 0.228 28 L C 1.363 178.285 176.870 0.087 0.000 1.123 28 L CA 0.584 55.508 54.840 0.139 0.000 0.890 28 L CB -0.620 41.572 42.059 0.222 0.000 1.103 28 L HN 0.446 nan 8.230 nan 0.000 0.468 29 S N 0.299 115.964 115.700 -0.058 0.000 2.580 29 S HA 0.240 4.709 4.470 -0.000 0.000 0.274 29 S C -1.323 173.040 174.600 -0.396 0.000 1.329 29 S CA -0.880 57.075 58.200 -0.409 0.000 1.036 29 S CB 1.192 64.145 63.200 -0.412 0.000 0.919 29 S HN -0.016 nan 8.310 nan 0.000 0.515 30 P HA -0.194 nan 4.420 nan 0.000 0.216 30 P C 1.710 178.878 177.300 -0.220 0.000 1.153 30 P CA 1.693 64.591 63.100 -0.337 0.000 0.858 30 P CB -0.261 31.224 31.700 -0.359 0.000 0.789 31 M N -3.117 116.339 119.600 -0.240 0.000 2.476 31 M HA 0.053 4.532 4.480 -0.000 0.000 0.262 31 M C 1.704 177.953 176.300 -0.085 0.000 1.079 31 M CA 1.495 56.719 55.300 -0.126 0.000 1.104 31 M CB -0.723 31.821 32.600 -0.093 0.000 1.409 31 M HN -0.139 nan 8.290 nan 0.000 0.467 32 R N 1.042 121.484 120.500 -0.096 0.000 2.175 32 R HA 0.237 4.577 4.340 -0.000 0.000 0.202 32 R C 0.460 176.739 176.300 -0.036 0.000 1.018 32 R CA 0.174 56.245 56.100 -0.048 0.000 1.029 32 R CB -0.133 30.149 30.300 -0.030 0.000 0.959 32 R HN 0.421 nan 8.270 nan 0.000 0.480 33 N N 1.826 120.497 118.700 -0.049 0.000 2.419 33 N HA -0.024 4.715 4.740 -0.000 0.000 0.264 33 N C 0.505 176.002 175.510 -0.022 0.000 1.031 33 N CA 0.208 53.246 53.050 -0.020 0.000 0.951 33 N CB 1.603 40.091 38.487 0.002 0.000 1.101 33 N HN 0.124 nan 8.380 nan 0.000 0.488 34 E N 2.962 123.158 120.200 -0.007 0.000 2.072 34 E HA -0.149 4.201 4.350 -0.000 0.000 0.191 34 E C 1.444 178.039 176.600 -0.009 0.000 0.985 34 E CA 0.991 57.387 56.400 -0.008 0.000 0.801 34 E CB 0.162 29.863 29.700 0.002 0.000 0.750 34 E HN 0.743 nan 8.360 nan 0.000 0.452 35 A N 0.989 123.816 122.820 0.011 0.000 1.898 35 A HA -0.155 4.164 4.320 -0.000 0.000 0.216 35 A C 2.107 179.675 177.584 -0.027 0.000 1.181 35 A CA 1.053 53.095 52.037 0.009 0.000 0.620 35 A CB -0.550 18.493 19.000 0.071 0.000 0.819 35 A HN 0.243 nan 8.150 nan 0.000 0.442 36 I N -0.489 120.073 120.570 -0.012 0.000 2.226 36 I HA -0.340 3.829 4.170 -0.000 0.000 0.245 36 I C 2.780 178.865 176.117 -0.054 0.000 1.100 36 I CA 1.637 62.918 61.300 -0.032 0.000 1.374 36 I CB -0.559 37.417 38.000 -0.040 0.000 1.057 36 I HN 0.440 nan 8.210 nan 0.000 0.413 37 Q N -0.033 119.736 119.800 -0.052 0.000 2.112 37 Q HA -0.250 4.089 4.340 -0.000 0.000 0.206 37 Q C 2.401 178.370 176.000 -0.050 0.000 0.987 37 Q CA 2.176 57.949 55.803 -0.049 0.000 0.858 37 Q CB -0.279 28.435 28.738 -0.040 0.000 0.905 37 Q HN 0.438 nan 8.270 nan 0.000 0.420 38 S N 0.014 115.676 115.700 -0.062 0.000 2.414 38 S HA -0.039 4.431 4.470 -0.000 0.000 0.227 38 S C 1.866 176.389 174.600 -0.128 0.000 1.022 38 S CA 0.384 58.533 58.200 -0.084 0.000 0.958 38 S CB -0.072 63.072 63.200 -0.093 0.000 0.797 38 S HN 0.305 nan 8.310 nan 0.000 0.493 39 I N 1.100 121.582 120.570 -0.147 0.000 2.286 39 I HA -0.114 4.056 4.170 -0.000 0.000 0.248 39 I C 2.247 178.316 176.117 -0.080 0.000 1.115 39 I CA 0.853 62.035 61.300 -0.196 0.000 1.392 39 I CB -0.282 37.624 38.000 -0.156 0.000 1.065 39 I HN 0.208 nan 8.210 nan 0.000 0.418 40 V N 0.937 120.828 119.914 -0.039 0.000 2.343 40 V HA -0.306 3.814 4.120 -0.000 0.000 0.247 40 V C 2.268 178.371 176.094 0.016 0.000 1.051 40 V CA 2.064 64.365 62.300 0.003 0.000 1.036 40 V CB -0.835 30.980 31.823 -0.012 0.000 0.654 40 V HN 0.534 nan 8.190 nan 0.000 0.451 41 N N 0.153 118.847 118.700 -0.010 0.000 2.084 41 N HA -0.192 4.548 4.740 -0.000 0.000 0.190 41 N C 1.427 176.947 175.510 0.017 0.000 1.030 41 N CA 1.722 54.772 53.050 -0.000 0.000 0.849 41 N CB -0.079 38.397 38.487 -0.019 0.000 1.012 41 N HN 0.422 nan 8.380 nan 0.000 0.423 42 D N 0.611 120.998 120.400 -0.020 0.000 2.310 42 D HA -0.015 4.625 4.640 -0.000 0.000 0.212 42 D C 1.755 178.189 176.300 0.223 0.000 0.965 42 D CA 0.317 54.321 54.000 0.006 0.000 0.879 42 D CB 0.053 40.720 40.800 -0.221 0.000 0.921 42 D HN 0.421 nan 8.370 nan 0.000 0.510 43 I N 0.064 120.774 120.570 0.233 0.000 2.852 43 I HA -0.086 4.084 4.170 -0.000 0.000 0.264 43 I C 1.881 178.132 176.117 0.224 0.000 1.179 43 I CA 0.561 62.068 61.300 0.344 0.000 1.480 43 I CB 0.299 38.468 38.000 0.283 0.000 1.111 43 I HN -0.143 nan 8.210 nan 0.000 0.441 44 K N 0.661 121.148 120.400 0.145 0.000 2.305 44 K HA -0.053 4.267 4.320 -0.000 0.000 0.199 44 K C 1.937 178.594 176.600 0.095 0.000 1.047 44 K CA 0.616 56.969 56.287 0.111 0.000 0.976 44 K CB 0.132 32.677 32.500 0.075 0.000 0.765 44 K HN 0.360 nan 8.250 nan 0.000 0.474 45 R N -0.300 120.257 120.500 0.095 0.000 2.307 45 R HA 0.119 4.459 4.340 -0.000 0.000 0.200 45 R C -0.041 176.296 176.300 0.062 0.000 0.893 45 R CA 0.209 56.345 56.100 0.061 0.000 1.042 45 R CB 0.249 30.570 30.300 0.035 0.000 1.059 45 R HN -0.225 nan 8.270 nan 0.000 0.530 46 T N 1.938 116.563 114.554 0.119 0.000 2.771 46 T HA 0.456 4.806 4.350 -0.000 0.000 0.291 46 T C -0.848 173.905 174.700 0.089 0.000 0.954 46 T CA -0.342 61.794 62.100 0.060 0.000 1.045 46 T CB 1.859 70.790 68.868 0.105 0.000 0.917 46 T HN -0.046 nan 8.240 nan 0.000 0.484 47 V N 2.089 121.993 119.914 -0.017 0.000 2.789 47 V HA 0.810 4.930 4.120 -0.000 0.000 0.311 47 V C -0.228 175.852 176.094 -0.023 0.000 1.073 47 V CA -1.225 61.106 62.300 0.051 0.000 0.921 47 V CB 2.035 33.862 31.823 0.007 0.000 1.009 47 V HN 1.009 nan 8.190 nan 0.000 0.426 48 A N 3.422 126.299 122.820 0.096 0.000 2.304 48 A HA 0.868 5.188 4.320 -0.000 0.000 0.323 48 A C -0.871 176.715 177.584 0.003 0.000 1.195 48 A CA -0.526 51.544 52.037 0.055 0.000 0.826 48 A CB 1.350 20.473 19.000 0.205 0.000 1.184 48 A HN 0.719 nan 8.150 nan 0.000 0.496 49 V N 2.744 122.637 119.914 -0.035 0.000 2.487 49 V HA 0.283 4.403 4.120 -0.000 0.000 0.298 49 V C -0.793 175.270 176.094 -0.051 0.000 1.028 49 V CA -0.642 61.616 62.300 -0.070 0.000 0.860 49 V CB 1.903 33.664 31.823 -0.103 0.000 0.991 49 V HN 0.931 nan 8.190 nan 0.000 0.427 50 D N 4.124 124.487 120.400 -0.061 0.000 2.411 50 D HA 0.311 4.951 4.640 -0.000 0.000 0.225 50 D C 0.836 177.102 176.300 -0.056 0.000 1.156 50 D CA -0.045 53.927 54.000 -0.048 0.000 0.874 50 D CB 1.373 42.143 40.800 -0.049 0.000 1.034 50 D HN 0.430 nan 8.370 nan 0.000 0.502 51 L N 2.774 123.973 121.223 -0.041 0.000 2.131 51 L HA -0.014 4.326 4.340 -0.000 0.000 0.206 51 L C 2.280 179.130 176.870 -0.033 0.000 1.087 51 L CA 0.589 55.404 54.840 -0.042 0.000 0.767 51 L CB -0.145 41.896 42.059 -0.029 0.000 0.917 51 L HN 0.452 nan 8.230 nan 0.000 0.441 52 E N 0.689 120.874 120.200 -0.024 0.000 2.077 52 E HA -0.188 4.162 4.350 -0.000 0.000 0.193 52 E C 2.199 178.782 176.600 -0.029 0.000 0.989 52 E CA 1.260 57.647 56.400 -0.021 0.000 0.800 52 E CB -0.146 29.545 29.700 -0.015 0.000 0.746 52 E HN 0.424 nan 8.360 nan 0.000 0.452 53 G N 1.109 109.887 108.800 -0.037 0.000 2.408 53 G HA2 -0.211 3.749 3.960 -0.000 0.000 0.217 53 G HA3 -0.211 3.749 3.960 -0.000 0.000 0.217 53 G C 1.583 176.456 174.900 -0.045 0.000 1.150 53 G CA 0.774 45.849 45.100 -0.041 0.000 0.776 53 G HN 0.261 nan 8.290 nan 0.000 0.542 54 I N 0.143 120.679 120.570 -0.055 0.000 2.315 54 I HA -0.096 4.073 4.170 -0.000 0.000 0.248 54 I C 2.632 178.724 176.117 -0.042 0.000 1.117 54 I CA 1.012 62.275 61.300 -0.061 0.000 1.404 54 I CB -0.140 37.811 38.000 -0.083 0.000 1.071 54 I HN 0.245 nan 8.210 nan 0.000 0.419 55 E N 1.067 121.246 120.200 -0.034 0.000 2.047 55 E HA -0.205 4.145 4.350 -0.000 0.000 0.191 55 E C 1.925 178.514 176.600 -0.018 0.000 0.987 55 E CA 1.040 57.426 56.400 -0.023 0.000 0.799 55 E CB 0.107 29.796 29.700 -0.019 0.000 0.752 55 E HN 0.456 nan 8.360 nan 0.000 0.449 56 N N 0.664 119.352 118.700 -0.019 0.000 2.084 56 N HA -0.175 4.565 4.740 -0.000 0.000 0.190 56 N C 1.784 177.286 175.510 -0.014 0.000 1.030 56 N CA 1.340 54.381 53.050 -0.016 0.000 0.849 56 N CB -0.480 37.996 38.487 -0.018 0.000 1.012 56 N HN 0.165 nan 8.380 nan 0.000 0.423 57 A N 1.477 124.286 122.820 -0.018 0.000 1.883 57 A HA -0.092 4.227 4.320 -0.000 0.000 0.217 57 A C 2.419 179.999 177.584 -0.007 0.000 1.186 57 A CA 1.125 53.154 52.037 -0.014 0.000 0.624 57 A CB -0.808 18.179 19.000 -0.021 0.000 0.822 57 A HN 0.229 nan 8.150 nan 0.000 0.444 58 L N -1.504 119.712 121.223 -0.011 0.000 2.156 58 L HA -0.146 4.193 4.340 -0.000 0.000 0.208 58 L C 2.776 179.646 176.870 0.000 0.000 1.095 58 L CA 1.371 56.208 54.840 -0.004 0.000 0.770 58 L CB -0.315 41.738 42.059 -0.009 0.000 0.914 58 L HN 0.511 nan 8.230 nan 0.000 0.439 59 Q N 0.395 120.193 119.800 -0.003 0.000 2.224 59 Q HA -0.143 4.196 4.340 -0.000 0.000 0.203 59 Q C 0.924 176.925 176.000 0.002 0.000 0.970 59 Q CA 1.486 57.289 55.803 -0.001 0.000 0.865 59 Q CB 0.236 28.972 28.738 -0.003 0.000 0.922 59 Q HN 0.518 nan 8.270 nan 0.000 0.445 60 N N -1.598 117.103 118.700 0.002 0.000 2.170 60 N HA 0.321 5.061 4.740 -0.000 0.000 0.222 60 N C -0.521 174.994 175.510 0.008 0.000 1.218 60 N CA 0.460 53.512 53.050 0.004 0.000 0.889 60 N CB 1.406 39.894 38.487 0.002 0.000 1.083 60 N HN 0.182 nan 8.380 nan 0.000 0.520 61 A N 0.739 123.565 122.820 0.010 0.000 2.798 61 A HA -0.210 4.110 4.320 -0.000 0.000 0.282 61 A C 0.695 178.289 177.584 0.017 0.000 1.464 61 A CA 1.421 53.468 52.037 0.016 0.000 0.844 61 A CB -2.662 16.349 19.000 0.019 0.000 1.006 61 A HN 0.407 nan 8.150 nan 0.000 0.577 62 T N -0.731 113.831 114.554 0.012 0.000 3.579 62 T HA 0.545 4.895 4.350 -0.000 0.000 0.328 62 T C 0.117 174.825 174.700 0.014 0.000 1.481 62 T CA -0.038 62.070 62.100 0.013 0.000 1.144 62 T CB -0.127 68.745 68.868 0.006 0.000 1.205 62 T HN 1.721 nan 8.240 nan 0.000 0.812 63 V N -0.923 119.007 119.914 0.027 0.000 2.881 63 V HA 0.961 5.080 4.120 -0.000 0.000 0.316 63 V C 1.224 177.353 176.094 0.060 0.000 1.070 63 V CA -0.158 62.163 62.300 0.035 0.000 0.976 63 V CB 0.866 32.712 31.823 0.038 0.000 1.038 63 V HN 0.876 nan 8.190 nan 0.000 0.446 64 G N 0.275 109.123 108.800 0.080 0.000 2.284 64 G HA2 0.200 4.159 3.960 -0.000 0.000 0.247 64 G HA3 0.200 4.159 3.960 -0.000 0.000 0.247 64 G C 1.576 176.554 174.900 0.130 0.000 1.012 64 G CA 0.453 45.636 45.100 0.139 0.000 0.618 64 G HN 3.095 nan 8.290 nan 0.000 0.521 65 G N -0.748 108.074 108.800 0.037 0.000 2.781 65 G HA2 0.327 4.286 3.960 -0.000 0.000 0.683 65 G HA3 0.327 4.286 3.960 -0.000 0.000 0.683 65 G C 0.165 175.067 174.900 0.004 0.000 1.390 65 G CA 0.703 45.770 45.100 -0.056 0.000 0.850 65 G HN 1.733 nan 8.290 nan 0.000 0.557 66 K N -1.290 119.083 120.400 -0.044 0.000 3.161 66 K HA 0.067 4.386 4.320 -0.000 0.000 0.270 66 K C 1.683 178.318 176.600 0.059 0.000 1.115 66 K CA 2.852 59.158 56.287 0.031 0.000 0.789 66 K CB -1.468 31.129 32.500 0.163 0.000 1.256 66 K HN 2.775 nan 8.250 nan 0.000 0.492 67 G N -1.418 107.402 108.800 0.033 0.000 2.195 67 G HA2 -0.323 3.636 3.960 -0.000 0.000 0.246 67 G HA3 -0.323 3.636 3.960 -0.000 0.000 0.246 67 G C 0.286 175.208 174.900 0.037 0.000 0.984 67 G CA 0.209 45.329 45.100 0.034 0.000 0.633 67 G HN 0.260 nan 8.290 nan 0.000 0.525 68 M N 0.294 119.923 119.600 0.048 0.000 2.243 68 M HA 0.456 4.936 4.480 -0.000 0.000 0.341 68 M C 0.373 176.694 176.300 0.036 0.000 1.130 68 M CA 0.487 55.816 55.300 0.049 0.000 1.162 68 M CB 1.213 33.855 32.600 0.069 0.000 1.497 68 M HN 0.196 nan 8.290 nan 0.000 0.456 69 K N 3.379 123.799 120.400 0.033 0.000 2.565 69 K HA 0.405 4.725 4.320 -0.000 0.000 0.251 69 K C -1.802 174.814 176.600 0.028 0.000 0.956 69 K CA -0.444 55.859 56.287 0.027 0.000 0.809 69 K CB 1.412 33.924 32.500 0.021 0.000 1.267 69 K HN 0.721 nan 8.250 nan 0.000 0.438 70 I N 6.310 126.898 120.570 0.029 0.000 2.269 70 I HA 0.205 4.375 4.170 -0.000 0.000 0.293 70 I C -2.083 174.048 176.117 0.024 0.000 1.106 70 I CA -2.173 59.144 61.300 0.029 0.000 1.248 70 I CB 0.727 38.747 38.000 0.034 0.000 1.444 70 I HN 0.328 nan 8.210 nan 0.000 0.497 71 P HA 0.094 nan 4.420 nan 0.000 0.269 71 P C 0.935 178.244 177.300 0.016 0.000 1.209 71 P CA 0.374 63.483 63.100 0.016 0.000 0.776 71 P CB 0.739 32.447 31.700 0.014 0.000 0.876 72 G N 1.826 110.634 108.800 0.013 0.000 2.184 72 G HA2 -0.305 3.655 3.960 -0.000 0.000 0.264 72 G HA3 -0.305 3.655 3.960 -0.000 0.000 0.264 72 G C 0.939 175.848 174.900 0.016 0.000 0.975 72 G CA 0.361 45.468 45.100 0.012 0.000 0.642 72 G HN 0.582 nan 8.290 nan 0.000 0.536 73 R N 0.458 120.970 120.500 0.021 0.000 2.543 73 R HA 0.406 4.745 4.340 -0.000 0.000 0.323 73 R C 0.699 177.014 176.300 0.025 0.000 1.002 73 R CA 0.045 56.161 56.100 0.027 0.000 1.106 73 R CB 0.136 30.457 30.300 0.034 0.000 1.280 73 R HN 0.491 nan 8.270 nan 0.000 0.549 74 E N 0.674 120.885 120.200 0.018 0.000 2.458 74 E HA -0.000 4.349 4.350 -0.000 0.000 0.264 74 E C -0.208 176.401 176.600 0.016 0.000 1.097 74 E CA 0.832 57.240 56.400 0.015 0.000 0.973 74 E CB 0.466 30.172 29.700 0.011 0.000 0.963 74 E HN 0.172 nan 8.360 nan 0.000 0.451 75 M N 1.799 121.407 119.600 0.013 0.000 2.331 75 M HA 0.187 4.667 4.480 -0.000 0.000 0.228 75 M C -1.878 174.427 176.300 0.009 0.000 0.986 75 M CA -0.426 54.882 55.300 0.014 0.000 0.972 75 M CB 1.338 33.949 32.600 0.019 0.000 2.359 75 M HN 0.287 nan 8.290 nan 0.000 0.459 76 D N 4.256 124.661 120.400 0.008 0.000 2.453 76 D HA 0.416 5.055 4.640 -0.000 0.000 0.223 76 D C -0.324 175.979 176.300 0.005 0.000 1.183 76 D CA 0.291 54.294 54.000 0.005 0.000 0.933 76 D CB 0.753 41.556 40.800 0.004 0.000 1.038 76 D HN 0.409 nan 8.370 nan 0.000 0.513 77 V N -0.022 119.893 119.914 0.002 0.000 2.769 77 V HA 0.575 4.695 4.120 -0.000 0.000 0.312 77 V C -0.227 175.865 176.094 -0.003 0.000 1.058 77 V CA -1.001 61.299 62.300 0.001 0.000 0.952 77 V CB 2.325 34.148 31.823 -0.000 0.000 1.019 77 V HN 0.121 nan 8.190 nan 0.000 0.445 78 D N 3.043 123.441 120.400 -0.003 0.000 2.454 78 D HA 0.436 5.076 4.640 -0.000 0.000 0.225 78 D C 0.693 176.989 176.300 -0.008 0.000 1.081 78 D CA -0.346 53.651 54.000 -0.005 0.000 0.864 78 D CB 1.867 42.665 40.800 -0.003 0.000 1.040 78 D HN 0.358 nan 8.370 nan 0.000 0.517 79 I N 1.042 121.605 120.570 -0.012 0.000 2.385 79 I HA -0.133 4.037 4.170 -0.000 0.000 0.244 79 I C 2.475 178.583 176.117 -0.014 0.000 1.089 79 I CA 0.467 61.757 61.300 -0.016 0.000 1.410 79 I CB -0.723 37.263 38.000 -0.024 0.000 1.117 79 I HN 0.141 nan 8.210 nan 0.000 0.429 80 V N 1.700 121.607 119.914 -0.011 0.000 2.282 80 V HA -0.298 3.821 4.120 -0.000 0.000 0.249 80 V C 2.189 178.279 176.094 -0.006 0.000 1.057 80 V CA 2.124 64.420 62.300 -0.007 0.000 1.032 80 V CB -0.806 31.015 31.823 -0.002 0.000 0.645 80 V HN 0.322 nan 8.190 nan 0.000 0.447 81 D N 0.115 120.512 120.400 -0.005 0.000 2.178 81 D HA -0.106 4.533 4.640 -0.000 0.000 0.201 81 D C 1.616 177.912 176.300 -0.007 0.000 0.980 81 D CA 1.031 55.028 54.000 -0.005 0.000 0.842 81 D CB -0.328 40.469 40.800 -0.004 0.000 0.948 81 D HN 0.431 nan 8.370 nan 0.000 0.472 82 N N 0.018 118.713 118.700 -0.008 0.000 2.251 82 N HA 0.170 4.910 4.740 -0.000 0.000 0.217 82 N C 1.206 176.708 175.510 -0.013 0.000 1.124 82 N CA 0.049 53.093 53.050 -0.010 0.000 0.843 82 N CB 0.848 39.330 38.487 -0.008 0.000 1.024 82 N HN 0.021 nan 8.380 nan 0.000 0.501 83 A N 1.415 124.227 122.820 -0.013 0.000 1.917 83 A HA -0.198 4.122 4.320 -0.000 0.000 0.219 83 A C 2.006 179.579 177.584 -0.019 0.000 1.182 83 A CA 1.316 53.343 52.037 -0.017 0.000 0.633 83 A CB -0.074 18.918 19.000 -0.014 0.000 0.819 83 A HN 0.178 nan 8.150 nan 0.000 0.448 84 E N 0.204 120.394 120.200 -0.017 0.000 2.051 84 E HA -0.151 4.198 4.350 -0.000 0.000 0.192 84 E C 2.310 178.901 176.600 -0.016 0.000 0.991 84 E CA 1.367 57.756 56.400 -0.018 0.000 0.799 84 E CB -0.999 28.691 29.700 -0.017 0.000 0.748 84 E HN 0.597 nan 8.360 nan 0.000 0.449 85 A N 1.316 124.128 122.820 -0.014 0.000 1.933 85 A HA -0.122 4.198 4.320 -0.000 0.000 0.218 85 A C 2.386 179.963 177.584 -0.012 0.000 1.175 85 A CA 1.118 53.148 52.037 -0.012 0.000 0.628 85 A CB -0.680 18.315 19.000 -0.009 0.000 0.814 85 A HN 0.176 nan 8.150 nan 0.000 0.444 86 I N -0.390 120.172 120.570 -0.014 0.000 2.252 86 I HA -0.249 3.920 4.170 -0.000 0.000 0.245 86 I C 2.992 179.098 176.117 -0.018 0.000 1.102 86 I CA 0.917 62.208 61.300 -0.016 0.000 1.385 86 I CB -0.386 37.601 38.000 -0.021 0.000 1.064 86 I HN 0.354 nan 8.210 nan 0.000 0.414 87 A N 0.669 123.476 122.820 -0.022 0.000 1.892 87 A HA -0.297 4.023 4.320 -0.000 0.000 0.218 87 A C 1.959 179.531 177.584 -0.020 0.000 1.188 87 A CA 2.425 54.448 52.037 -0.024 0.000 0.631 87 A CB -0.769 18.215 19.000 -0.026 0.000 0.822 87 A HN 0.338 nan 8.150 nan 0.000 0.447 88 D N -0.497 119.893 120.400 -0.017 0.000 2.123 88 D HA -0.117 4.523 4.640 -0.000 0.000 0.196 88 D C 1.992 178.285 176.300 -0.012 0.000 0.992 88 D CA 1.286 55.278 54.000 -0.014 0.000 0.833 88 D CB -0.173 40.620 40.800 -0.013 0.000 0.954 88 D HN 0.387 nan 8.370 nan 0.000 0.455 89 E N 0.045 120.238 120.200 -0.011 0.000 2.153 89 E HA -0.090 4.260 4.350 -0.000 0.000 0.194 89 E C 2.410 179.007 176.600 -0.006 0.000 0.988 89 E CA 0.278 56.674 56.400 -0.008 0.000 0.811 89 E CB -0.187 29.511 29.700 -0.003 0.000 0.746 89 E HN 0.430 nan 8.360 nan 0.000 0.466 90 I N 1.322 121.887 120.570 -0.008 0.000 2.202 90 I HA -0.264 3.906 4.170 -0.000 0.000 0.242 90 I C 2.494 178.604 176.117 -0.012 0.000 1.091 90 I CA 1.494 62.789 61.300 -0.008 0.000 1.368 90 I CB -0.311 37.678 38.000 -0.018 0.000 1.058 90 I HN 0.155 nan 8.210 nan 0.000 0.410 91 E N 1.201 121.392 120.200 -0.015 0.000 2.347 91 E HA -0.236 4.114 4.350 -0.000 0.000 0.196 91 E C 1.970 178.561 176.600 -0.015 0.000 1.008 91 E CA 0.901 57.291 56.400 -0.016 0.000 0.852 91 E CB -0.060 29.631 29.700 -0.016 0.000 0.783 91 E HN 0.319 nan 8.360 nan 0.000 0.505 92 K N 0.445 120.837 120.400 -0.014 0.000 2.062 92 K HA 0.054 4.374 4.320 -0.000 0.000 0.205 92 K C 2.028 178.616 176.600 -0.019 0.000 1.051 92 K CA 1.614 57.892 56.287 -0.015 0.000 0.941 92 K CB 0.036 32.527 32.500 -0.015 0.000 0.719 92 K HN 0.165 nan 8.250 nan 0.000 0.440 93 M N -0.541 119.050 119.600 -0.016 0.000 2.476 93 M HA -0.046 4.433 4.480 -0.000 0.000 0.262 93 M C 1.056 177.345 176.300 -0.018 0.000 1.079 93 M CA 0.940 56.230 55.300 -0.016 0.000 1.104 93 M CB 0.208 32.810 32.600 0.002 0.000 1.409 93 M HN 0.086 nan 8.290 nan 0.000 0.467 94 I N -1.068 119.491 120.570 -0.020 0.000 3.790 94 I HA 0.093 4.262 4.170 -0.000 0.000 0.305 94 I C 1.178 177.272 176.117 -0.038 0.000 1.253 94 I CA 0.198 61.483 61.300 -0.024 0.000 1.355 94 I CB 0.130 38.119 38.000 -0.019 0.000 1.137 94 I HN 0.037 nan 8.210 nan 0.000 0.435 95 R N 0.067 120.545 120.500 -0.036 0.000 2.590 95 R HA 0.159 4.498 4.340 -0.000 0.000 0.274 95 R C 0.677 176.927 176.300 -0.084 0.000 1.061 95 R CA 0.177 56.251 56.100 -0.043 0.000 1.081 95 R CB 0.971 31.259 30.300 -0.019 0.000 0.984 95 R HN -0.015 nan 8.270 nan 0.000 0.448 96 V N 3.681 123.513 119.914 -0.137 0.000 2.908 96 V HA 0.148 4.268 4.120 -0.000 0.000 0.240 96 V C -0.225 175.640 176.094 -0.381 0.000 1.117 96 V CA 0.549 62.656 62.300 -0.322 0.000 1.133 96 V CB 0.027 31.564 31.823 -0.477 0.000 0.857 96 V HN 0.658 nan 8.190 nan 0.000 0.478 97 Y N -1.184 119.112 120.300 -0.007 0.000 2.576 97 Y HA 0.368 4.918 4.550 -0.000 0.000 0.346 97 Y C 1.071 176.966 175.900 -0.008 0.000 1.018 97 Y CA -0.920 57.176 58.100 -0.007 0.000 1.050 97 Y CB 1.735 40.191 38.460 -0.007 0.000 1.280 97 Y HN -0.248 nan 8.280 nan 0.000 0.474 98 Q N 0.592 120.496 119.800 0.173 0.000 2.170 98 Q HA -0.116 4.224 4.340 -0.000 0.000 0.203 98 Q C -0.218 175.823 176.000 0.067 0.000 0.976 98 Q CA 1.516 57.370 55.803 0.084 0.000 0.858 98 Q CB 0.078 28.847 28.738 0.052 0.000 0.907 98 Q HN 0.722 nan 8.270 nan 0.000 0.433 99 D N 1.580 122.026 120.400 0.077 0.000 2.895 99 D HA 0.056 4.695 4.640 -0.000 0.000 0.258 99 D C -0.395 175.944 176.300 0.065 0.000 1.311 99 D CA -0.014 54.012 54.000 0.043 0.000 0.843 99 D CB 0.219 41.020 40.800 0.001 0.000 1.055 99 D HN 0.308 nan 8.370 nan 0.000 0.486 100 D N -0.962 119.495 120.400 0.095 0.000 2.592 100 D HA 0.078 4.718 4.640 -0.000 0.000 0.259 100 D C 0.517 176.843 176.300 0.043 0.000 1.144 100 D CA -0.614 53.439 54.000 0.089 0.000 1.080 100 D CB 0.637 41.517 40.800 0.134 0.000 1.225 100 D HN -0.233 nan 8.370 nan 0.000 0.619 101 D N -1.557 118.862 120.400 0.031 0.000 2.460 101 D HA 0.076 4.716 4.640 -0.000 0.000 0.229 101 D C -0.233 176.067 176.300 -0.000 0.000 1.170 101 D CA -0.387 53.619 54.000 0.010 0.000 0.827 101 D CB -1.035 39.767 40.800 0.003 0.000 0.973 101 D HN 0.208 nan 8.370 nan 0.000 0.496 102 T N 1.686 116.241 114.554 0.002 0.000 2.905 102 T HA -0.014 4.336 4.350 -0.000 0.000 0.299 102 T C 0.080 174.772 174.700 -0.013 0.000 1.024 102 T CA 0.246 62.341 62.100 -0.009 0.000 1.151 102 T CB 0.145 69.008 68.868 -0.008 0.000 0.987 102 T HN 0.323 nan 8.240 nan 0.000 0.535 103 N N 2.249 120.936 118.700 -0.022 0.000 2.549 103 N HA 0.360 5.099 4.740 -0.000 0.000 0.290 103 N C -1.778 173.709 175.510 -0.037 0.000 1.122 103 N CA -0.451 52.582 53.050 -0.028 0.000 0.885 103 N CB 1.333 39.801 38.487 -0.032 0.000 1.455 103 N HN 0.284 nan 8.380 nan 0.000 0.521 104 V N 3.819 123.712 119.914 -0.036 0.000 2.380 104 V HA 0.245 4.364 4.120 -0.000 0.000 0.268 104 V C -0.538 175.531 176.094 -0.041 0.000 1.008 104 V CA -0.642 61.634 62.300 -0.040 0.000 0.823 104 V CB 0.727 32.530 31.823 -0.033 0.000 1.053 104 V HN 0.675 nan 8.190 nan 0.000 0.446 105 E N 3.957 124.127 120.200 -0.049 0.000 2.176 105 E HA 0.614 4.964 4.350 -0.000 0.000 0.267 105 E C -3.021 173.547 176.600 -0.053 0.000 0.893 105 E CA -2.465 53.905 56.400 -0.050 0.000 0.761 105 E CB 2.320 31.988 29.700 -0.055 0.000 1.133 105 E HN 0.268 nan 8.360 nan 0.000 0.409 106 P HA -0.018 nan 4.420 nan 0.000 0.265 106 P C -0.791 176.470 177.300 -0.064 0.000 1.193 106 P CA 0.562 63.636 63.100 -0.042 0.000 0.765 106 P CB 0.452 32.130 31.700 -0.036 0.000 0.823 107 M N 2.085 121.659 119.600 -0.044 0.000 2.591 107 M HA 0.331 4.811 4.480 -0.000 0.000 0.306 107 M C -0.600 175.683 176.300 -0.028 0.000 1.190 107 M CA -0.722 54.504 55.300 -0.123 0.000 0.889 107 M CB 1.642 34.201 32.600 -0.069 0.000 1.728 107 M HN 0.317 nan 8.290 nan 0.000 0.458 108 Y N 1.204 121.493 120.300 -0.018 0.000 3.027 108 Y HA -0.274 4.276 4.550 -0.000 0.000 0.195 108 Y C 0.101 175.992 175.900 -0.015 0.000 1.381 108 Y CA 0.891 58.983 58.100 -0.015 0.000 1.015 108 Y CB -2.173 36.279 38.460 -0.014 0.000 1.329 108 Y HN 0.860 nan 8.280 nan 0.000 0.462 109 D N -1.303 119.110 120.400 0.023 0.000 2.983 109 D HA -0.217 4.423 4.640 -0.000 0.000 0.225 109 D C 1.338 177.652 176.300 0.023 0.000 1.174 109 D CA 2.318 56.330 54.000 0.020 0.000 0.831 109 D CB -1.219 39.602 40.800 0.036 0.000 1.104 109 D HN 1.347 nan 8.370 nan 0.000 0.421 110 G N -0.354 108.460 108.800 0.024 0.000 2.175 110 G HA2 -0.386 3.574 3.960 -0.000 0.000 0.244 110 G HA3 -0.386 3.574 3.960 -0.000 0.000 0.244 110 G C 1.058 175.974 174.900 0.027 0.000 0.982 110 G CA 0.768 45.877 45.100 0.015 0.000 0.641 110 G HN 0.468 nan 8.290 nan 0.000 0.527 111 K N -0.773 119.661 120.400 0.057 0.000 2.155 111 K HA 0.121 4.441 4.320 -0.000 0.000 0.203 111 K C 1.492 178.117 176.600 0.041 0.000 1.052 111 K CA 0.709 57.023 56.287 0.045 0.000 0.948 111 K CB 0.054 32.588 32.500 0.056 0.000 0.728 111 K HN 0.256 nan 8.250 nan 0.000 0.448 112 R N -0.007 120.546 120.500 0.088 0.000 2.902 112 R HA 0.517 4.857 4.340 -0.000 0.000 0.258 112 R C -1.547 174.778 176.300 0.043 0.000 1.071 112 R CA -0.947 55.200 56.100 0.078 0.000 1.024 112 R CB 1.190 31.596 30.300 0.176 0.000 1.184 112 R HN -0.067 nan 8.270 nan 0.000 0.492 113 L N 1.331 122.561 121.223 0.012 0.000 2.580 113 L HA 0.455 4.795 4.340 -0.000 0.000 0.266 113 L C -1.933 174.910 176.870 -0.046 0.000 0.955 113 L CA -0.618 54.209 54.840 -0.022 0.000 0.886 113 L CB 1.726 43.763 42.059 -0.037 0.000 1.263 113 L HN 0.553 nan 8.230 nan 0.000 0.406 114 L N 6.279 127.463 121.223 -0.065 0.000 2.281 114 L HA 0.683 5.023 4.340 -0.000 0.000 0.285 114 L C -1.088 175.725 176.870 -0.094 0.000 1.074 114 L CA 0.110 54.882 54.840 -0.114 0.000 0.817 114 L CB 1.267 43.241 42.059 -0.141 0.000 1.168 114 L HN 0.429 nan 8.230 nan 0.000 0.434 115 V N 5.783 125.640 119.914 -0.095 0.000 2.350 115 V HA 0.399 4.519 4.120 -0.000 0.000 0.285 115 V C -0.287 175.769 176.094 -0.063 0.000 1.014 115 V CA -0.525 61.734 62.300 -0.068 0.000 0.831 115 V CB 1.147 32.936 31.823 -0.056 0.000 1.000 115 V HN 0.751 nan 8.190 nan 0.000 0.433 116 Q N 4.902 124.670 119.800 -0.053 0.000 2.372 116 Q HA 0.554 4.894 4.340 -0.000 0.000 0.259 116 Q C -0.791 175.196 176.000 -0.022 0.000 0.993 116 Q CA -0.464 55.318 55.803 -0.035 0.000 0.854 116 Q CB 2.212 30.928 28.738 -0.037 0.000 1.231 116 Q HN 0.633 nan 8.270 nan 0.000 0.462 117 L N 4.693 125.909 121.223 -0.012 0.000 2.439 117 L HA 0.262 4.602 4.340 -0.000 0.000 0.269 117 L C -1.878 174.986 176.870 -0.010 0.000 1.179 117 L CA -1.997 52.836 54.840 -0.012 0.000 0.828 117 L CB -0.052 42.003 42.059 -0.006 0.000 1.106 117 L HN 0.310 nan 8.230 nan 0.000 0.467 118 P HA -0.033 nan 4.420 nan 0.000 0.261 118 P C 0.351 177.646 177.300 -0.008 0.000 1.173 118 P CA 0.233 63.326 63.100 -0.012 0.000 0.760 118 P CB 0.628 32.310 31.700 -0.030 0.000 0.783 119 S N 2.371 118.073 115.700 0.003 0.000 2.440 119 S HA -0.203 4.266 4.470 -0.000 0.000 0.240 119 S C 1.545 176.148 174.600 0.006 0.000 1.014 119 S CA 1.542 59.746 58.200 0.007 0.000 0.980 119 S CB -0.470 62.737 63.200 0.013 0.000 0.775 119 S HN 0.551 nan 8.310 nan 0.000 0.499 120 E N 1.057 121.257 120.200 -0.000 0.000 2.153 120 E HA -0.075 4.274 4.350 -0.000 0.000 0.194 120 E C 2.268 178.847 176.600 -0.035 0.000 0.988 120 E CA 0.884 57.271 56.400 -0.021 0.000 0.811 120 E CB -0.040 29.608 29.700 -0.087 0.000 0.746 120 E HN 0.424 nan 8.360 nan 0.000 0.466 121 R N -0.026 120.453 120.500 -0.035 0.000 2.093 121 R HA 0.000 4.340 4.340 -0.000 0.000 0.224 121 R C 2.204 178.499 176.300 -0.008 0.000 1.101 121 R CA 0.816 56.900 56.100 -0.027 0.000 0.979 121 R CB -0.444 29.841 30.300 -0.026 0.000 0.877 121 R HN 0.091 nan 8.270 nan 0.000 0.441 122 V N 1.647 121.561 119.914 0.000 0.000 2.231 122 V HA -0.296 3.823 4.120 -0.000 0.000 0.239 122 V C 2.112 178.212 176.094 0.009 0.000 1.035 122 V CA 1.738 64.044 62.300 0.011 0.000 0.989 122 V CB -0.658 31.174 31.823 0.014 0.000 0.636 122 V HN 0.280 nan 8.190 nan 0.000 0.457 123 K N -1.077 119.328 120.400 0.009 0.000 3.046 123 K HA -0.319 4.000 4.320 -0.000 0.000 0.195 123 K C 1.260 177.865 176.600 0.008 0.000 0.864 123 K CA 2.458 58.750 56.287 0.009 0.000 0.820 123 K CB -0.526 31.980 32.500 0.010 0.000 1.598 123 K HN 0.340 nan 8.250 nan 0.000 0.561 124 V N 0.705 120.622 119.914 0.005 0.000 2.933 124 V HA 0.264 4.384 4.120 -0.000 0.000 0.374 124 V C -0.722 175.377 176.094 0.007 0.000 1.321 124 V CA -0.313 61.990 62.300 0.004 0.000 1.290 124 V CB 0.258 32.080 31.823 -0.001 0.000 1.346 124 V HN 0.225 nan 8.190 nan 0.000 0.560 125 M N 0.604 120.211 119.600 0.012 0.000 2.190 125 M HA 0.605 5.085 4.480 -0.000 0.000 0.312 125 M C 0.654 176.967 176.300 0.022 0.000 0.990 125 M CA -0.101 55.210 55.300 0.018 0.000 0.927 125 M CB 1.936 34.549 32.600 0.022 0.000 1.571 125 M HN 0.203 nan 8.290 nan 0.000 0.427 126 A N 3.143 125.977 122.820 0.024 0.000 1.871 126 A HA 0.077 4.397 4.320 -0.000 0.000 0.211 126 A C 0.687 178.290 177.584 0.033 0.000 1.207 126 A CA 0.712 52.763 52.037 0.024 0.000 0.620 126 A CB -0.165 18.848 19.000 0.020 0.000 0.860 126 A HN 0.812 nan 8.150 nan 0.000 0.450 127 D N 0.455 120.880 120.400 0.042 0.000 2.371 127 D HA 0.164 4.803 4.640 -0.000 0.000 0.256 127 D C -1.644 174.704 176.300 0.080 0.000 1.193 127 D CA -1.283 52.753 54.000 0.060 0.000 0.881 127 D CB 1.259 42.104 40.800 0.075 0.000 1.143 127 D HN 0.106 nan 8.370 nan 0.000 0.473 128 P HA -0.116 nan 4.420 nan 0.000 0.225 128 P C 1.073 178.474 177.300 0.169 0.000 1.156 128 P CA 0.628 63.788 63.100 0.100 0.000 0.787 128 P CB 0.125 31.870 31.700 0.075 0.000 0.802 129 Y N 0.411 120.723 120.300 0.020 0.000 2.490 129 Y HA 0.091 4.641 4.550 -0.000 0.000 0.285 129 Y C 2.363 178.297 175.900 0.057 0.000 1.117 129 Y CA 0.626 58.744 58.100 0.030 0.000 1.262 129 Y CB -0.529 37.923 38.460 -0.013 0.000 1.043 129 Y HN -0.187 nan 8.280 nan 0.000 0.553 130 S N 0.150 115.943 115.700 0.156 0.000 2.421 130 S HA -0.310 4.160 4.470 -0.000 0.000 0.239 130 S C 2.224 176.819 174.600 -0.009 0.000 1.054 130 S CA 1.463 59.695 58.200 0.053 0.000 1.035 130 S CB -1.105 62.128 63.200 0.056 0.000 0.840 130 S HN 0.795 nan 8.310 nan 0.000 0.475 131 G N 0.864 109.666 108.800 0.004 0.000 2.507 131 G HA2 -0.305 3.655 3.960 -0.000 0.000 0.221 131 G HA3 -0.305 3.655 3.960 -0.000 0.000 0.221 131 G C 1.565 176.443 174.900 -0.037 0.000 1.119 131 G CA 1.821 46.918 45.100 -0.005 0.000 0.751 131 G HN 0.694 nan 8.290 nan 0.000 0.574 132 T N -0.468 114.018 114.554 -0.114 0.000 2.777 132 T HA 0.031 4.380 4.350 -0.000 0.000 0.266 132 T C 2.369 177.075 174.700 0.011 0.000 1.040 132 T CA 0.965 62.995 62.100 -0.117 0.000 1.141 132 T CB -0.297 68.364 68.868 -0.344 0.000 0.868 132 T HN 0.192 nan 8.240 nan 0.000 0.444 133 L N 0.695 121.885 121.223 -0.054 0.000 1.989 133 L HA -0.167 4.173 4.340 -0.000 0.000 0.211 133 L C 3.257 180.135 176.870 0.014 0.000 1.071 133 L CA 1.919 56.691 54.840 -0.112 0.000 0.749 133 L CB -0.609 41.351 42.059 -0.165 0.000 0.890 133 L HN 0.407 nan 8.230 nan 0.000 0.431 134 Q N -0.608 119.193 119.800 0.001 0.000 1.993 134 Q HA -0.203 4.137 4.340 -0.000 0.000 0.202 134 Q C 2.364 178.379 176.000 0.025 0.000 0.984 134 Q CA 1.747 57.558 55.803 0.014 0.000 0.837 134 Q CB -0.302 28.437 28.738 0.002 0.000 0.902 134 Q HN 0.552 nan 8.270 nan 0.000 0.423 135 A N 0.869 123.694 122.820 0.008 0.000 1.902 135 A HA -0.128 4.192 4.320 -0.000 0.000 0.217 135 A C 2.261 179.825 177.584 -0.033 0.000 1.181 135 A CA 1.736 53.765 52.037 -0.015 0.000 0.623 135 A CB -1.184 17.797 19.000 -0.031 0.000 0.818 135 A HN 0.501 nan 8.150 nan 0.000 0.443 136 G N -1.222 107.574 108.800 -0.007 0.000 2.402 136 G HA2 -0.147 3.813 3.960 -0.000 0.000 0.216 136 G HA3 -0.147 3.813 3.960 -0.000 0.000 0.216 136 G C 1.444 176.311 174.900 -0.055 0.000 1.162 136 G CA 1.113 46.118 45.100 -0.158 0.000 0.777 136 G HN 0.310 nan 8.290 nan 0.000 0.539 137 M N 1.282 120.980 119.600 0.164 0.000 2.279 137 M HA 0.088 4.568 4.480 -0.000 0.000 0.264 137 M C 2.848 179.141 176.300 -0.012 0.000 1.062 137 M CA 0.866 56.205 55.300 0.065 0.000 1.099 137 M CB -1.042 31.589 32.600 0.051 0.000 1.394 137 M HN 0.333 nan 8.290 nan 0.000 0.426 138 A N -0.219 122.621 122.820 0.033 0.000 1.855 138 A HA -0.086 4.234 4.320 -0.000 0.000 0.215 138 A C 2.373 179.960 177.584 0.006 0.000 1.191 138 A CA 1.724 53.792 52.037 0.053 0.000 0.613 138 A CB -0.989 18.025 19.000 0.023 0.000 0.829 138 A HN 0.261 nan 8.150 nan 0.000 0.442 139 V N -0.076 119.803 119.914 -0.059 0.000 2.324 139 V HA -0.288 3.832 4.120 -0.000 0.000 0.250 139 V C 2.584 178.620 176.094 -0.096 0.000 1.060 139 V CA 2.139 64.384 62.300 -0.092 0.000 1.042 139 V CB -0.997 30.730 31.823 -0.161 0.000 0.650 139 V HN 0.374 nan 8.190 nan 0.000 0.450 140 V N -0.314 119.517 119.914 -0.139 0.000 2.233 140 V HA -0.353 3.767 4.120 -0.000 0.000 0.247 140 V C 2.247 178.286 176.094 -0.092 0.000 1.050 140 V CA 2.663 64.871 62.300 -0.153 0.000 1.010 140 V CB -0.917 30.778 31.823 -0.213 0.000 0.637 140 V HN 0.642 nan 8.190 nan 0.000 0.444 141 H N -0.364 118.696 119.070 -0.017 0.000 2.387 141 H HA -0.048 4.507 4.556 -0.000 0.000 0.299 141 H C 2.256 177.572 175.328 -0.021 0.000 1.090 141 H CA 1.243 57.281 56.048 -0.015 0.000 1.332 141 H CB -0.166 29.589 29.762 -0.012 0.000 1.386 141 H HN 0.463 nan 8.280 nan 0.000 0.516 142 A N 0.597 123.475 122.820 0.097 0.000 1.969 142 A HA -0.108 4.212 4.320 -0.000 0.000 0.218 142 A C 2.266 179.860 177.584 0.017 0.000 1.169 142 A CA 1.114 53.175 52.037 0.040 0.000 0.635 142 A CB -0.466 18.543 19.000 0.014 0.000 0.810 142 A HN 0.348 nan 8.150 nan 0.000 0.445 143 I N -0.099 120.473 120.570 0.003 0.000 2.286 143 I HA -0.174 3.995 4.170 -0.000 0.000 0.245 143 I C 2.090 178.210 176.117 0.006 0.000 1.104 143 I CA 0.612 61.907 61.300 -0.008 0.000 1.397 143 I CB -0.197 37.785 38.000 -0.029 0.000 1.072 143 I HN 0.235 nan 8.210 nan 0.000 0.417 144 I N 0.508 121.090 120.570 0.020 0.000 2.163 144 I HA -0.282 3.888 4.170 -0.000 0.000 0.243 144 I C 1.201 177.334 176.117 0.027 0.000 1.085 144 I CA 1.831 63.148 61.300 0.029 0.000 1.347 144 I CB -0.897 37.136 38.000 0.055 0.000 1.044 144 I HN 0.250 nan 8.210 nan 0.000 0.408 145 D N -0.330 120.088 120.400 0.029 0.000 2.559 145 D HA 0.184 4.824 4.640 -0.000 0.000 0.234 145 D C 1.471 177.777 176.300 0.010 0.000 1.226 145 D CA 0.157 54.167 54.000 0.017 0.000 0.830 145 D CB 1.112 41.919 40.800 0.012 0.000 1.028 145 D HN 0.029 nan 8.370 nan 0.000 0.492 146 V N -0.809 119.110 119.914 0.009 0.000 3.090 146 V HA -0.029 4.090 4.120 -0.000 0.000 0.237 146 V C 1.885 177.981 176.094 0.003 0.000 1.209 146 V CA 0.492 62.794 62.300 0.003 0.000 1.209 146 V CB 0.877 32.700 31.823 -0.000 0.000 0.971 146 V HN 0.265 nan 8.190 nan 0.000 0.477 147 C N 0.257 119.559 119.300 0.004 0.000 2.626 147 C HA 0.251 4.711 4.460 -0.000 0.000 0.266 147 C C 1.151 176.147 174.990 0.010 0.000 1.317 147 C CA -0.389 58.632 59.018 0.005 0.000 1.716 147 C CB -1.493 26.248 27.740 0.001 0.000 1.819 147 C HN 0.702 nan 8.230 nan 0.000 0.578 148 E N 0.336 120.543 120.200 0.012 0.000 2.271 148 E HA -0.169 4.181 4.350 -0.000 0.000 0.223 148 E C -0.401 176.213 176.600 0.023 0.000 1.223 148 E CA -0.154 56.256 56.400 0.017 0.000 0.704 148 E CB -0.717 28.992 29.700 0.015 0.000 1.194 148 E HN 0.442 nan 8.360 nan 0.000 0.375 149 V N 1.372 121.299 119.914 0.023 0.000 2.614 149 V HA 0.016 4.136 4.120 -0.000 0.000 0.291 149 V C 0.912 177.030 176.094 0.040 0.000 1.049 149 V CA 0.003 62.321 62.300 0.029 0.000 1.038 149 V CB 1.346 33.183 31.823 0.023 0.000 0.980 149 V HN 0.276 nan 8.190 nan 0.000 0.481 150 D N 3.571 124.007 120.400 0.060 0.000 2.455 150 D HA -0.009 4.631 4.640 -0.000 0.000 0.241 150 D C 1.021 177.369 176.300 0.080 0.000 1.138 150 D CA -0.070 53.986 54.000 0.094 0.000 0.877 150 D CB 1.070 41.950 40.800 0.134 0.000 1.187 150 D HN 0.623 nan 8.370 nan 0.000 0.451 151 M N 3.577 123.208 119.600 0.053 0.000 2.144 151 M HA -0.197 4.283 4.480 -0.000 0.000 0.260 151 M C 1.108 177.303 176.300 -0.174 0.000 1.067 151 M CA 1.725 56.967 55.300 -0.097 0.000 1.095 151 M CB -0.007 32.471 32.600 -0.205 0.000 1.365 151 M HN 0.529 nan 8.290 nan 0.000 0.406 152 W N 0.096 121.404 121.300 0.013 0.000 2.678 152 W HA -0.010 4.650 4.660 -0.000 0.000 0.256 152 W C 0.996 177.523 176.519 0.012 0.000 1.280 152 W CA 0.289 57.641 57.345 0.012 0.000 1.345 152 W CB 0.097 29.562 29.460 0.010 0.000 1.118 152 W HN 0.241 nan 8.180 nan 0.000 0.629 153 D N -1.076 119.431 120.400 0.177 0.000 2.431 153 D HA 0.166 4.806 4.640 -0.000 0.000 0.213 153 D C 1.877 178.213 176.300 0.060 0.000 1.130 153 D CA 0.317 54.386 54.000 0.114 0.000 0.834 153 D CB -0.155 40.706 40.800 0.103 0.000 0.985 153 D HN 0.015 nan 8.370 nan 0.000 0.504 154 A N 1.483 124.324 122.820 0.034 0.000 1.969 154 A HA -0.223 4.097 4.320 -0.000 0.000 0.218 154 A C 1.855 179.443 177.584 0.007 0.000 1.169 154 A CA 1.531 53.574 52.037 0.010 0.000 0.635 154 A CB -0.786 18.208 19.000 -0.010 0.000 0.810 154 A HN 0.386 nan 8.150 nan 0.000 0.445 155 N N -0.736 117.972 118.700 0.012 0.000 2.443 155 N HA -0.152 4.588 4.740 -0.000 0.000 0.184 155 N C 1.340 176.869 175.510 0.031 0.000 1.037 155 N CA 1.577 54.639 53.050 0.020 0.000 0.896 155 N CB -0.356 38.145 38.487 0.024 0.000 0.959 155 N HN 0.308 nan 8.380 nan 0.000 0.442 156 M N 0.094 119.713 119.600 0.032 0.000 2.319 156 M HA 0.054 4.534 4.480 -0.000 0.000 0.265 156 M C 1.645 177.953 176.300 0.012 0.000 1.068 156 M CA 0.585 55.903 55.300 0.029 0.000 1.118 156 M CB -0.472 32.147 32.600 0.032 0.000 1.395 156 M HN 0.138 nan 8.290 nan 0.000 0.435 157 V N 0.090 120.004 119.914 0.001 0.000 2.453 157 V HA -0.183 3.937 4.120 -0.000 0.000 0.247 157 V C 2.566 178.639 176.094 -0.035 0.000 1.048 157 V CA 1.225 63.511 62.300 -0.024 0.000 1.049 157 V CB -0.655 31.151 31.823 -0.029 0.000 0.672 157 V HN 0.375 nan 8.190 nan 0.000 0.457 158 K N 0.819 121.216 120.400 -0.005 0.000 2.103 158 K HA -0.165 4.155 4.320 -0.000 0.000 0.207 158 K C 2.082 178.725 176.600 0.073 0.000 1.048 158 K CA 1.875 58.187 56.287 0.041 0.000 0.930 158 K CB -0.347 32.188 32.500 0.060 0.000 0.716 158 K HN 0.451 nan 8.250 nan 0.000 0.444 159 A N 0.428 123.282 122.820 0.056 0.000 1.970 159 A HA 0.081 4.400 4.320 -0.000 0.000 0.216 159 A C 2.283 179.887 177.584 0.033 0.000 1.170 159 A CA 1.447 53.528 52.037 0.074 0.000 0.645 159 A CB -0.414 18.628 19.000 0.069 0.000 0.816 159 A HN 0.355 nan 8.150 nan 0.000 0.447 160 A N -0.474 122.340 122.820 -0.011 0.000 1.969 160 A HA 0.069 4.389 4.320 -0.000 0.000 0.218 160 A C 2.156 179.676 177.584 -0.106 0.000 1.169 160 A CA 1.774 53.785 52.037 -0.043 0.000 0.635 160 A CB -0.599 18.372 19.000 -0.047 0.000 0.810 160 A HN 0.324 nan 8.150 nan 0.000 0.445 161 V N -2.225 117.582 119.914 -0.177 0.000 2.300 161 V HA -0.050 4.070 4.120 -0.000 0.000 0.241 161 V C 1.824 177.621 176.094 -0.493 0.000 1.034 161 V CA 1.552 63.608 62.300 -0.407 0.000 1.021 161 V CB -0.675 30.790 31.823 -0.597 0.000 0.662 161 V HN 0.579 nan 8.190 nan 0.000 0.458 162 F N -0.354 119.512 119.950 -0.139 0.000 2.653 162 F HA 0.511 5.038 4.527 -0.000 0.000 0.304 162 F C 1.595 177.434 175.800 0.066 0.000 1.092 162 F CA 0.504 58.393 58.000 -0.185 0.000 1.279 162 F CB 0.471 39.295 39.000 -0.292 0.000 1.044 162 F HN 0.321 nan 8.300 nan 0.000 0.564 163 G N 1.448 110.372 108.800 0.208 0.000 2.536 163 G HA2 -0.339 3.621 3.960 -0.000 0.000 0.280 163 G HA3 -0.339 3.621 3.960 -0.000 0.000 0.280 163 G C 1.013 176.070 174.900 0.261 0.000 1.152 163 G CA 0.158 45.393 45.100 0.225 0.000 0.970 163 G HN 0.301 nan 8.290 nan 0.000 0.549 164 R N -0.400 120.291 120.500 0.319 0.000 2.317 164 R HA 0.154 4.494 4.340 -0.000 0.000 0.208 164 R C 0.843 177.285 176.300 0.237 0.000 0.914 164 R CA 0.045 56.294 56.100 0.249 0.000 1.060 164 R CB 0.169 30.612 30.300 0.238 0.000 1.015 164 R HN 0.450 nan 8.270 nan 0.000 0.498 165 Y N 4.464 124.890 120.300 0.210 0.000 2.721 165 Y HA -0.033 4.517 4.550 -0.000 0.000 0.329 165 Y C -1.290 174.663 175.900 0.089 0.000 1.211 165 Y CA -1.126 57.077 58.100 0.172 0.000 1.512 165 Y CB 0.843 39.473 38.460 0.284 0.000 1.249 165 Y HN -0.016 nan 8.280 nan 0.000 0.549 166 P HA -0.021 nan 4.420 nan 0.000 0.267 166 P C 0.689 177.777 177.300 -0.354 0.000 1.289 166 P CA 0.275 62.922 63.100 -0.754 0.000 0.866 166 P CB 0.609 31.911 31.700 -0.663 0.000 1.309 167 Q N 2.140 121.852 119.800 -0.147 0.000 2.084 167 Q HA -0.065 4.275 4.340 -0.000 0.000 0.202 167 Q C 0.774 176.726 176.000 -0.081 0.000 0.978 167 Q CA 1.598 57.348 55.803 -0.090 0.000 0.844 167 Q CB -1.239 27.478 28.738 -0.035 0.000 0.898 167 Q HN 0.308 nan 8.270 nan 0.000 0.426 168 T N -2.511 112.024 114.554 -0.033 0.000 2.902 168 T HA 0.271 4.621 4.350 -0.000 0.000 0.280 168 T C 1.106 175.812 174.700 0.010 0.000 0.992 168 T CA -0.561 61.521 62.100 -0.029 0.000 1.015 168 T CB 0.727 69.600 68.868 0.009 0.000 1.044 168 T HN 0.070 nan 8.240 nan 0.000 0.520 169 I N 1.479 122.050 120.570 0.001 0.000 2.493 169 I HA 0.031 4.201 4.170 -0.000 0.000 0.254 169 I C 0.831 177.039 176.117 0.153 0.000 1.160 169 I CA 1.087 62.405 61.300 0.031 0.000 1.445 169 I CB -0.681 37.302 38.000 -0.028 0.000 1.086 169 I HN 0.861 nan 8.210 nan 0.000 0.433 170 D N -2.270 118.234 120.400 0.174 0.000 2.666 170 D HA 0.093 4.733 4.640 -0.000 0.000 0.252 170 D C -0.242 176.285 176.300 0.378 0.000 1.143 170 D CA -0.527 53.548 54.000 0.124 0.000 1.096 170 D CB -0.261 40.560 40.800 0.034 0.000 1.260 170 D HN 0.152 nan 8.370 nan 0.000 0.633 171 Y N -0.490 119.998 120.300 0.314 0.000 2.903 171 Y HA 0.214 4.764 4.550 -0.000 0.000 0.387 171 Y C 0.122 176.188 175.900 0.277 0.000 1.189 171 Y CA -1.151 57.134 58.100 0.309 0.000 1.856 171 Y CB -0.434 38.197 38.460 0.285 0.000 1.917 171 Y HN 0.069 nan 8.280 nan 0.000 0.448 172 F N 1.758 121.871 119.950 0.271 0.000 2.571 172 F HA 0.307 4.833 4.527 -0.000 0.000 0.384 172 F C 1.235 177.119 175.800 0.140 0.000 1.058 172 F CA 0.746 58.842 58.000 0.160 0.000 1.200 172 F CB 0.393 39.462 39.000 0.114 0.000 1.077 172 F HN 0.578 nan 8.300 nan 0.000 0.558 173 G N 3.637 112.254 108.800 -0.305 0.000 2.143 173 G HA2 -0.210 3.750 3.960 -0.000 0.000 0.248 173 G HA3 -0.210 3.750 3.960 -0.000 0.000 0.248 173 G C 0.527 175.407 174.900 -0.033 0.000 0.991 173 G CA 0.027 45.014 45.100 -0.189 0.000 0.689 173 G HN 1.213 nan 8.290 nan 0.000 0.522 174 G N -1.043 107.778 108.800 0.035 0.000 2.563 174 G HA2 0.493 4.453 3.960 -0.000 0.000 0.283 174 G HA3 0.493 4.453 3.960 -0.000 0.000 0.283 174 G C 0.432 175.315 174.900 -0.029 0.000 1.309 174 G CA -0.131 44.988 45.100 0.032 0.000 1.022 174 G HN 0.238 nan 8.290 nan 0.000 0.501 175 N N -0.730 117.914 118.700 -0.094 0.000 2.433 175 N HA 0.196 4.936 4.740 -0.000 0.000 0.270 175 N C -0.847 174.589 175.510 -0.124 0.000 1.354 175 N CA 0.039 53.030 53.050 -0.097 0.000 0.889 175 N CB 1.748 40.168 38.487 -0.111 0.000 1.285 175 N HN 0.110 nan 8.380 nan 0.000 0.503 176 V N 0.784 120.635 119.914 -0.105 0.000 2.604 176 V HA 0.869 4.988 4.120 -0.000 0.000 0.305 176 V C -0.288 175.848 176.094 0.070 0.000 1.043 176 V CA -0.810 61.435 62.300 -0.092 0.000 0.888 176 V CB 1.820 33.489 31.823 -0.257 0.000 0.995 176 V HN 0.196 nan 8.190 nan 0.000 0.429 177 A N 3.152 126.012 122.820 0.067 0.000 2.549 177 A HA 0.963 5.283 4.320 -0.000 0.000 0.297 177 A C -0.420 177.237 177.584 0.122 0.000 1.061 177 A CA -0.085 52.016 52.037 0.106 0.000 0.690 177 A CB 2.157 21.182 19.000 0.041 0.000 1.287 177 A HN 1.178 nan 8.150 nan 0.000 0.402 178 S N 1.103 116.880 115.700 0.130 0.000 2.806 178 S HA 0.605 5.075 4.470 -0.000 0.000 0.306 178 S C 0.721 175.258 174.600 -0.104 0.000 1.167 178 S CA -0.700 57.559 58.200 0.098 0.000 0.847 178 S CB 0.768 64.084 63.200 0.195 0.000 1.216 178 S HN 0.517 nan 8.310 nan 0.000 0.532 179 M N 0.172 119.644 119.600 -0.213 0.000 2.254 179 M HA 0.205 4.685 4.480 -0.000 0.000 0.265 179 M C 0.352 176.651 176.300 -0.002 0.000 1.066 179 M CA 1.107 56.288 55.300 -0.197 0.000 1.123 179 M CB -1.294 31.175 32.600 -0.217 0.000 1.388 179 M HN 0.525 nan 8.290 nan 0.000 0.425 180 L N 0.497 121.766 121.223 0.076 0.000 2.399 180 L HA 0.285 4.625 4.340 -0.000 0.000 0.265 180 L C -0.332 176.572 176.870 0.057 0.000 1.089 180 L CA -0.534 54.347 54.840 0.068 0.000 0.802 180 L CB 0.890 43.030 42.059 0.136 0.000 1.180 180 L HN 0.035 nan 8.230 nan 0.000 0.454 181 D N 1.037 121.252 120.400 -0.308 0.000 2.616 181 D HA 0.355 4.995 4.640 -0.000 0.000 0.238 181 D C -0.795 174.910 176.300 -0.992 0.000 1.354 181 D CA -0.325 53.187 54.000 -0.814 0.000 0.970 181 D CB 1.534 42.126 40.800 -0.346 0.000 1.369 181 D HN 0.228 nan 8.370 nan 0.000 0.585 182 V N 4.899 123.745 119.914 -1.780 0.000 3.839 182 V HA -0.155 3.965 4.120 -0.000 0.000 0.542 182 V C -1.111 174.749 176.094 -0.391 0.000 0.687 182 V CA 0.734 62.522 62.300 -0.852 0.000 2.102 182 V CB 0.100 31.576 31.823 -0.578 0.000 2.491 182 V HN 0.746 nan 8.190 nan 0.000 0.521 183 P HA -0.109 nan 4.420 nan 0.000 0.222 183 P C 1.262 178.503 177.300 -0.098 0.000 1.153 183 P CA 1.650 64.682 63.100 -0.113 0.000 0.798 183 P CB 0.019 31.691 31.700 -0.047 0.000 0.796 184 M N -2.029 117.511 119.600 -0.101 0.000 2.618 184 M HA 0.159 4.638 4.480 -0.000 0.000 0.240 184 M C 1.038 177.275 176.300 -0.105 0.000 1.123 184 M CA 1.065 56.314 55.300 -0.084 0.000 1.060 184 M CB -0.808 31.754 32.600 -0.064 0.000 1.535 184 M HN -0.138 nan 8.290 nan 0.000 0.507 185 K N 1.025 121.344 120.400 -0.135 0.000 2.404 185 K HA 0.198 4.517 4.320 -0.000 0.000 0.194 185 K C 0.189 176.712 176.600 -0.129 0.000 1.023 185 K CA -0.031 56.171 56.287 -0.142 0.000 1.094 185 K CB 0.353 32.748 32.500 -0.176 0.000 0.841 185 K HN 0.533 nan 8.250 nan 0.000 0.523 186 Q N 0.896 120.631 119.800 -0.108 0.000 2.314 186 Q HA 0.024 4.364 4.340 -0.000 0.000 0.258 186 Q C 0.568 176.474 176.000 -0.156 0.000 0.954 186 Q CA 0.015 55.768 55.803 -0.083 0.000 0.890 186 Q CB 1.035 29.758 28.738 -0.025 0.000 1.210 186 Q HN 0.090 nan 8.270 nan 0.000 0.410 187 E N 0.725 120.754 120.200 -0.286 0.000 2.285 187 E HA 0.024 4.374 4.350 -0.000 0.000 0.194 187 E C 0.489 176.802 176.600 -0.478 0.000 0.997 187 E CA 0.541 56.669 56.400 -0.453 0.000 0.845 187 E CB 0.487 29.777 29.700 -0.683 0.000 0.782 187 E HN 0.742 nan 8.360 nan 0.000 0.491 188 G N -0.468 108.093 108.800 -0.398 0.000 2.550 188 G HA2 0.289 4.249 3.960 -0.000 0.000 0.293 188 G HA3 0.289 4.249 3.960 -0.000 0.000 0.293 188 G C -0.991 173.969 174.900 0.100 0.000 1.402 188 G CA -0.807 44.216 45.100 -0.129 0.000 0.784 188 G HN -0.086 nan 8.290 nan 0.000 0.482 189 V N 1.011 120.976 119.914 0.086 0.000 2.617 189 V HA 0.371 4.491 4.120 -0.000 0.000 0.304 189 V C 1.740 177.905 176.094 0.119 0.000 1.040 189 V CA 1.919 64.266 62.300 0.078 0.000 1.149 189 V CB 0.496 32.341 31.823 0.038 0.000 0.914 189 V HN 2.400 nan 8.190 nan 0.000 0.487 190 G N 3.688 112.530 108.800 0.070 0.000 2.148 190 G HA2 -0.329 3.630 3.960 -0.000 0.000 0.254 190 G HA3 -0.329 3.630 3.960 -0.000 0.000 0.254 190 G C 0.241 175.120 174.900 -0.035 0.000 0.981 190 G CA 0.445 45.551 45.100 0.010 0.000 0.670 190 G HN 0.794 nan 8.290 nan 0.000 0.528 191 Y N 0.486 120.757 120.300 -0.049 0.000 2.490 191 Y HA 0.427 4.977 4.550 -0.000 0.000 0.281 191 Y C 2.655 178.523 175.900 -0.053 0.000 1.174 191 Y CA 1.190 59.260 58.100 -0.051 0.000 1.295 191 Y CB 0.007 38.433 38.460 -0.056 0.000 1.062 191 Y HN 0.426 nan 8.280 nan 0.000 0.522 192 A N 0.255 123.093 122.820 0.030 0.000 1.859 192 A HA -0.222 4.098 4.320 -0.000 0.000 0.217 192 A C 1.986 179.557 177.584 -0.022 0.000 1.198 192 A CA 1.824 53.859 52.037 -0.003 0.000 0.629 192 A CB -0.965 18.034 19.000 -0.003 0.000 0.830 192 A HN 0.472 nan 8.150 nan 0.000 0.446 193 L N -0.967 120.234 121.223 -0.038 0.000 2.622 193 L HA -0.038 4.301 4.340 -0.000 0.000 0.233 193 L C 2.442 179.281 176.870 -0.051 0.000 1.156 193 L CA 0.219 55.038 54.840 -0.036 0.000 0.866 193 L CB -0.333 41.702 42.059 -0.040 0.000 0.980 193 L HN 0.301 nan 8.230 nan 0.000 0.448 194 R N -0.379 120.081 120.500 -0.068 0.000 2.210 194 R HA 0.028 4.368 4.340 -0.000 0.000 0.203 194 R C 0.766 177.096 176.300 0.049 0.000 1.010 194 R CA 0.250 56.328 56.100 -0.037 0.000 1.008 194 R CB -0.256 29.968 30.300 -0.127 0.000 0.923 194 R HN 0.167 nan 8.270 nan 0.000 0.469 195 N N 1.319 120.014 118.700 -0.008 0.000 3.259 195 N HA 0.147 4.886 4.740 -0.000 0.000 0.308 195 N C -1.102 174.245 175.510 -0.272 0.000 1.334 195 N CA 0.114 53.067 53.050 -0.162 0.000 1.202 195 N CB -0.282 38.111 38.487 -0.157 0.000 1.485 195 N HN 0.088 nan 8.380 nan 0.000 0.549 196 I N 0.820 121.279 120.570 -0.185 0.000 2.439 196 I HA 0.237 4.407 4.170 -0.000 0.000 0.285 196 I C 0.272 176.317 176.117 -0.119 0.000 1.021 196 I CA -0.673 60.545 61.300 -0.137 0.000 1.091 196 I CB 1.672 39.656 38.000 -0.027 0.000 1.242 196 I HN -0.024 nan 8.210 nan 0.000 0.439 197 M N 4.093 123.523 119.600 -0.283 0.000 2.252 197 M HA 0.009 4.489 4.480 -0.000 0.000 0.329 197 M C 1.246 177.535 176.300 -0.019 0.000 1.101 197 M CA 0.337 55.529 55.300 -0.180 0.000 1.117 197 M CB 1.262 33.556 32.600 -0.510 0.000 1.563 197 M HN 0.501 nan 8.290 nan 0.000 0.445 198 V N 2.960 122.909 119.914 0.058 0.000 2.392 198 V HA -0.280 3.840 4.120 -0.000 0.000 0.249 198 V C 1.838 177.978 176.094 0.077 0.000 1.059 198 V CA 1.781 64.127 62.300 0.075 0.000 1.051 198 V CB -0.761 31.118 31.823 0.093 0.000 0.658 198 V HN 0.790 nan 8.190 nan 0.000 0.455 199 N N -0.733 118.005 118.700 0.064 0.000 2.188 199 N HA -0.143 4.597 4.740 -0.000 0.000 0.184 199 N C 1.753 177.354 175.510 0.153 0.000 1.018 199 N CA 1.186 54.293 53.050 0.094 0.000 0.858 199 N CB -0.386 38.154 38.487 0.088 0.000 0.989 199 N HN 0.531 nan 8.380 nan 0.000 0.426 200 H N 0.741 119.792 119.070 -0.032 0.000 2.319 200 H HA -0.008 4.548 4.556 -0.000 0.000 0.299 200 H C 1.946 177.225 175.328 -0.081 0.000 1.092 200 H CA 0.700 56.688 56.048 -0.100 0.000 1.302 200 H CB -0.391 29.277 29.762 -0.156 0.000 1.373 200 H HN 0.126 nan 8.280 nan 0.000 0.497 201 I N 0.009 120.642 120.570 0.105 0.000 2.151 201 I HA -0.213 3.957 4.170 -0.000 0.000 0.243 201 I C 2.469 178.631 176.117 0.074 0.000 1.080 201 I CA 0.978 62.322 61.300 0.075 0.000 1.339 201 I CB -1.080 36.967 38.000 0.079 0.000 1.039 201 I HN 0.082 nan 8.210 nan 0.000 0.409 202 V N 0.870 120.831 119.914 0.079 0.000 2.591 202 V HA -0.101 4.018 4.120 -0.000 0.000 0.249 202 V C 2.708 178.842 176.094 0.065 0.000 1.053 202 V CA 1.325 63.671 62.300 0.076 0.000 1.068 202 V CB -0.832 31.038 31.823 0.079 0.000 0.689 202 V HN 0.422 nan 8.190 nan 0.000 0.462 203 A N 0.186 123.039 122.820 0.056 0.000 1.898 203 A HA -0.062 4.258 4.320 -0.000 0.000 0.216 203 A C 2.344 179.948 177.584 0.033 0.000 1.181 203 A CA 1.926 53.984 52.037 0.036 0.000 0.620 203 A CB -0.602 18.407 19.000 0.014 0.000 0.819 203 A HN 0.544 nan 8.150 nan 0.000 0.442 204 A N -0.538 122.294 122.820 0.020 0.000 2.067 204 A HA 0.054 4.374 4.320 -0.000 0.000 0.217 204 A C 2.067 179.713 177.584 0.103 0.000 1.156 204 A CA 1.882 53.945 52.037 0.044 0.000 0.683 204 A CB -0.859 18.125 19.000 -0.027 0.000 0.808 204 A HN 0.730 nan 8.150 nan 0.000 0.455 205 T N -3.762 110.850 114.554 0.096 0.000 3.163 205 T HA 0.189 4.539 4.350 -0.000 0.000 0.252 205 T C 0.445 175.199 174.700 0.090 0.000 1.056 205 T CA -0.280 61.885 62.100 0.107 0.000 0.947 205 T CB -0.176 68.756 68.868 0.107 0.000 1.016 205 T HN 0.342 nan 8.240 nan 0.000 0.554 206 R N 1.968 122.516 120.500 0.080 0.000 3.322 206 R HA -0.159 4.181 4.340 -0.000 0.000 0.253 206 R C 0.200 176.539 176.300 0.065 0.000 0.987 206 R CA 0.813 56.955 56.100 0.070 0.000 0.666 206 R CB -2.034 28.311 30.300 0.075 0.000 1.072 206 R HN 0.628 nan 8.270 nan 0.000 0.447 207 K N -1.843 118.595 120.400 0.064 0.000 3.349 207 K HA -0.231 4.088 4.320 -0.000 0.000 0.310 207 K C 0.194 176.831 176.600 0.062 0.000 1.267 207 K CA 1.056 57.379 56.287 0.060 0.000 0.920 207 K CB -1.003 31.529 32.500 0.052 0.000 1.240 207 K HN 0.501 nan 8.250 nan 0.000 0.453 208 N N 1.799 120.540 118.700 0.068 0.000 2.405 208 N HA 0.054 4.794 4.740 -0.000 0.000 0.260 208 N C 0.685 176.238 175.510 0.071 0.000 1.152 208 N CA 0.669 53.761 53.050 0.069 0.000 0.948 208 N CB 0.930 39.462 38.487 0.074 0.000 1.111 208 N HN 0.026 nan 8.380 nan 0.000 0.485 209 T N 3.958 118.552 114.554 0.067 0.000 2.674 209 T HA -0.097 4.253 4.350 -0.000 0.000 0.265 209 T C 2.011 176.753 174.700 0.069 0.000 1.039 209 T CA 0.965 63.104 62.100 0.065 0.000 1.150 209 T CB 0.038 68.940 68.868 0.057 0.000 0.864 209 T HN 0.496 nan 8.240 nan 0.000 0.427 210 M N 1.128 120.773 119.600 0.074 0.000 2.149 210 M HA -0.057 4.422 4.480 -0.000 0.000 0.261 210 M C 2.325 178.669 176.300 0.074 0.000 1.064 210 M CA 1.460 56.805 55.300 0.075 0.000 1.102 210 M CB -0.905 31.746 32.600 0.085 0.000 1.369 210 M HN 0.239 nan 8.290 nan 0.000 0.408 211 Q N -0.879 118.969 119.800 0.080 0.000 2.245 211 Q HA 0.047 4.386 4.340 -0.000 0.000 0.201 211 Q C 2.133 178.192 176.000 0.098 0.000 0.955 211 Q CA 1.331 57.188 55.803 0.090 0.000 0.870 211 Q CB -0.351 28.445 28.738 0.097 0.000 0.945 211 Q HN 0.531 nan 8.270 nan 0.000 0.461 212 A N 0.555 123.429 122.820 0.090 0.000 1.855 212 A HA -0.112 4.208 4.320 -0.000 0.000 0.215 212 A C 2.415 180.053 177.584 0.089 0.000 1.191 212 A CA 1.370 53.461 52.037 0.090 0.000 0.613 212 A CB -0.813 18.236 19.000 0.082 0.000 0.829 212 A HN 0.167 nan 8.150 nan 0.000 0.442 213 V N -0.554 119.409 119.914 0.081 0.000 2.278 213 V HA -0.395 3.724 4.120 -0.000 0.000 0.251 213 V C 2.726 178.878 176.094 0.096 0.000 1.062 213 V CA 2.237 64.584 62.300 0.079 0.000 1.038 213 V CB -1.354 30.507 31.823 0.064 0.000 0.646 213 V HN 0.814 nan 8.190 nan 0.000 0.447 214 C N -0.409 118.948 119.300 0.095 0.000 2.413 214 C HA -0.185 4.275 4.460 -0.000 0.000 0.278 214 C C 2.641 177.720 174.990 0.149 0.000 1.224 214 C CA 1.622 60.707 59.018 0.113 0.000 1.732 214 C CB -1.105 26.691 27.740 0.094 0.000 2.050 214 C HN 0.596 nan 8.230 nan 0.000 0.463 215 L N 1.817 123.120 121.223 0.133 0.000 2.079 215 L HA -0.000 4.339 4.340 -0.000 0.000 0.210 215 L C 2.597 179.540 176.870 0.121 0.000 1.081 215 L CA 2.580 57.502 54.840 0.138 0.000 0.752 215 L CB -0.979 41.166 42.059 0.143 0.000 0.896 215 L HN 0.439 nan 8.230 nan 0.000 0.433 216 A N -0.718 122.166 122.820 0.107 0.000 1.873 216 A HA -0.066 4.254 4.320 -0.000 0.000 0.215 216 A C 2.455 180.089 177.584 0.084 0.000 1.186 216 A CA 1.751 53.839 52.037 0.084 0.000 0.616 216 A CB -1.174 17.872 19.000 0.076 0.000 0.823 216 A HN 0.549 nan 8.150 nan 0.000 0.442 217 A N -0.469 122.430 122.820 0.133 0.000 1.877 217 A HA -0.136 4.184 4.320 -0.000 0.000 0.216 217 A C 2.503 180.194 177.584 0.179 0.000 1.186 217 A CA 2.709 54.860 52.037 0.191 0.000 0.620 217 A CB -1.411 17.767 19.000 0.298 0.000 0.822 217 A HN 0.797 nan 8.150 nan 0.000 0.443 218 T N -1.635 113.065 114.554 0.244 0.000 2.904 218 T HA -0.009 4.340 4.350 -0.000 0.000 0.267 218 T C 1.828 176.488 174.700 -0.065 0.000 1.059 218 T CA 1.392 63.525 62.100 0.055 0.000 1.137 218 T CB -0.455 68.541 68.868 0.213 0.000 0.879 218 T HN 0.294 nan 8.240 nan 0.000 0.467 219 L N 0.160 121.386 121.223 0.004 0.000 2.072 219 L HA -0.030 4.310 4.340 -0.000 0.000 0.205 219 L C 3.382 180.214 176.870 -0.064 0.000 1.079 219 L CA 1.074 55.904 54.840 -0.016 0.000 0.752 219 L CB -0.537 41.536 42.059 0.024 0.000 0.906 219 L HN 0.240 nan 8.230 nan 0.000 0.436 220 Q N -0.040 119.721 119.800 -0.065 0.000 1.993 220 Q HA -0.215 4.124 4.340 -0.000 0.000 0.202 220 Q C 2.224 178.132 176.000 -0.153 0.000 0.984 220 Q CA 1.447 57.183 55.803 -0.111 0.000 0.837 220 Q CB -0.327 28.351 28.738 -0.099 0.000 0.902 220 Q HN 0.485 nan 8.270 nan 0.000 0.423 221 Q N -0.406 119.288 119.800 -0.176 0.000 2.364 221 Q HA -0.034 4.306 4.340 -0.000 0.000 0.207 221 Q C 1.842 177.813 176.000 -0.049 0.000 0.970 221 Q CA 0.950 56.650 55.803 -0.172 0.000 0.888 221 Q CB -0.216 28.312 28.738 -0.349 0.000 0.951 221 Q HN 0.357 nan 8.270 nan 0.000 0.469 222 T N 0.643 115.128 114.554 -0.116 0.000 2.942 222 T HA 0.046 4.396 4.350 -0.000 0.000 0.265 222 T C 1.753 176.435 174.700 -0.031 0.000 1.062 222 T CA 0.935 62.998 62.100 -0.061 0.000 1.139 222 T CB 0.056 68.859 68.868 -0.108 0.000 0.883 222 T HN 0.364 nan 8.240 nan 0.000 0.468 223 A N 1.366 124.126 122.820 -0.099 0.000 1.968 223 A HA 0.041 4.361 4.320 -0.000 0.000 0.217 223 A C 2.131 179.601 177.584 -0.190 0.000 1.169 223 A CA 0.957 52.900 52.037 -0.156 0.000 0.638 223 A CB -0.435 18.423 19.000 -0.237 0.000 0.812 223 A HN 0.261 nan 8.150 nan 0.000 0.446 224 M N -1.316 118.161 119.600 -0.206 0.000 2.213 224 M HA -0.009 4.470 4.480 -0.000 0.000 0.263 224 M C 1.703 177.771 176.300 -0.386 0.000 1.062 224 M CA 1.059 56.148 55.300 -0.351 0.000 1.105 224 M CB -1.515 30.815 32.600 -0.451 0.000 1.385 224 M HN 0.471 nan 8.290 nan 0.000 0.417 225 F N 0.082 119.886 119.950 -0.244 0.000 2.234 225 F HA -0.086 4.441 4.527 -0.000 0.000 0.296 225 F C 2.511 178.228 175.800 -0.139 0.000 1.089 225 F CA 1.190 59.085 58.000 -0.175 0.000 1.343 225 F CB -0.337 38.583 39.000 -0.133 0.000 1.040 225 F HN 0.262 nan 8.300 nan 0.000 0.498 226 E N 0.153 120.377 120.200 0.040 0.000 2.150 226 E HA -0.181 4.169 4.350 -0.000 0.000 0.193 226 E C 1.866 178.435 176.600 -0.050 0.000 0.985 226 E CA 0.935 57.330 56.400 -0.008 0.000 0.814 226 E CB -0.065 29.616 29.700 -0.032 0.000 0.752 226 E HN 0.363 nan 8.360 nan 0.000 0.466 227 M N -0.731 118.805 119.600 -0.106 0.000 2.561 227 M HA 0.134 4.614 4.480 -0.000 0.000 0.238 227 M C 1.053 177.280 176.300 -0.121 0.000 1.131 227 M CA 0.648 55.881 55.300 -0.111 0.000 1.046 227 M CB 0.824 33.331 32.600 -0.154 0.000 1.532 227 M HN 0.266 nan 8.290 nan 0.000 0.497 228 G N 0.878 109.600 108.800 -0.129 0.000 2.179 228 G HA2 -0.249 3.711 3.960 -0.000 0.000 0.257 228 G HA3 -0.249 3.711 3.960 -0.000 0.000 0.257 228 G C 0.296 175.062 174.900 -0.224 0.000 1.010 228 G CA 0.506 45.524 45.100 -0.136 0.000 0.736 228 G HN 0.406 nan 8.290 nan 0.000 0.513 229 D N 0.200 120.402 120.400 -0.330 0.000 2.149 229 D HA 0.217 4.857 4.640 -0.000 0.000 0.206 229 D C 1.989 177.941 176.300 -0.580 0.000 0.967 229 D CA 1.212 54.939 54.000 -0.456 0.000 0.848 229 D CB -0.222 40.296 40.800 -0.470 0.000 0.998 229 D HN 0.741 nan 8.370 nan 0.000 0.474 230 A N 1.133 123.466 122.820 -0.812 0.000 2.915 230 A HA 0.460 4.780 4.320 -0.000 0.000 0.292 230 A C -0.363 176.883 177.584 -0.563 0.000 1.632 230 A CA 0.055 51.535 52.037 -0.929 0.000 1.337 230 A CB -0.651 17.225 19.000 -1.874 0.000 1.111 230 A HN 0.189 nan 8.150 nan 0.000 0.569 231 L N 0.904 122.018 121.223 -0.182 0.000 2.794 231 L HA 0.681 5.021 4.340 -0.000 0.000 0.261 231 L C 0.660 177.590 176.870 0.100 0.000 0.989 231 L CA 1.020 55.841 54.840 -0.032 0.000 0.900 231 L CB 1.064 43.089 42.059 -0.057 0.000 1.473 231 L HN 1.507 nan 8.230 nan 0.000 0.414 232 G N 2.780 111.642 108.800 0.104 0.000 2.634 232 G HA2 -0.258 3.702 3.960 -0.000 0.000 0.309 232 G HA3 -0.258 3.702 3.960 -0.000 0.000 0.309 232 G C -1.687 173.307 174.900 0.156 0.000 1.265 232 G CA 0.263 45.442 45.100 0.130 0.000 0.998 232 G HN 0.734 nan 8.290 nan 0.000 0.551 233 P HA 0.267 nan 4.420 nan 0.000 0.258 233 P C 0.499 177.788 177.300 -0.018 0.000 1.319 233 P CA 0.863 64.003 63.100 0.066 0.000 0.785 233 P CB -0.271 31.432 31.700 0.006 0.000 1.252 234 F N -0.940 119.059 119.950 0.081 0.000 2.784 234 F HA 0.225 4.751 4.527 -0.000 0.000 0.323 234 F C 2.263 178.150 175.800 0.146 0.000 1.085 234 F CA -0.216 57.866 58.000 0.137 0.000 1.196 234 F CB 0.173 39.258 39.000 0.142 0.000 1.053 234 F HN -0.129 nan 8.300 nan 0.000 0.578 235 E N 1.059 121.394 120.200 0.224 0.000 2.097 235 E HA -0.267 4.082 4.350 -0.000 0.000 0.196 235 E C 2.337 179.061 176.600 0.205 0.000 1.000 235 E CA 1.370 57.847 56.400 0.128 0.000 0.804 235 E CB 0.050 29.834 29.700 0.140 0.000 0.740 235 E HN 0.302 nan 8.360 nan 0.000 0.454 236 R N 0.310 120.922 120.500 0.187 0.000 2.092 236 R HA -0.079 4.261 4.340 -0.000 0.000 0.231 236 R C 2.577 178.985 176.300 0.178 0.000 1.119 236 R CA 0.698 56.902 56.100 0.174 0.000 0.970 236 R CB -0.240 30.130 30.300 0.116 0.000 0.864 236 R HN 0.267 nan 8.270 nan 0.000 0.440 237 L N 0.484 121.811 121.223 0.173 0.000 2.081 237 L HA -0.241 4.099 4.340 -0.000 0.000 0.212 237 L C 1.297 178.218 176.870 0.086 0.000 1.080 237 L CA 2.091 57.001 54.840 0.116 0.000 0.754 237 L CB -0.374 41.771 42.059 0.144 0.000 0.893 237 L HN 0.382 nan 8.230 nan 0.000 0.433 238 H N -1.429 117.769 119.070 0.214 0.000 2.520 238 H HA 0.055 4.611 4.556 -0.000 0.000 0.279 238 H C 2.198 177.708 175.328 0.304 0.000 0.990 238 H CA 0.525 56.694 56.048 0.202 0.000 1.288 238 H CB 0.190 29.919 29.762 -0.055 0.000 1.446 238 H HN 0.209 nan 8.280 nan 0.000 0.538 239 L N -0.169 121.301 121.223 0.413 0.000 2.027 239 L HA -0.146 4.194 4.340 -0.000 0.000 0.206 239 L C 1.855 178.959 176.870 0.389 0.000 1.074 239 L CA 1.166 56.269 54.840 0.438 0.000 0.745 239 L CB -0.335 41.943 42.059 0.365 0.000 0.898 239 L HN 0.262 nan 8.230 nan 0.000 0.433 240 L N -0.708 120.699 121.223 0.307 0.000 2.109 240 L HA -0.064 4.275 4.340 -0.000 0.000 0.207 240 L C 2.654 179.716 176.870 0.321 0.000 1.086 240 L CA 1.131 56.147 54.840 0.292 0.000 0.760 240 L CB -0.955 41.198 42.059 0.156 0.000 0.910 240 L HN 0.286 nan 8.230 nan 0.000 0.437 241 G N -0.965 108.017 108.800 0.303 0.000 2.442 241 G HA2 -0.351 3.609 3.960 -0.000 0.000 0.219 241 G HA3 -0.351 3.609 3.960 -0.000 0.000 0.219 241 G C 1.536 176.744 174.900 0.513 0.000 1.141 241 G CA 0.930 46.287 45.100 0.428 0.000 0.763 241 G HN 0.453 nan 8.290 nan 0.000 0.554 242 Y N 1.352 121.835 120.300 0.306 0.000 2.286 242 Y HA 0.225 4.775 4.550 -0.000 0.000 0.293 242 Y C 2.899 178.924 175.900 0.209 0.000 1.124 242 Y CA 1.019 59.254 58.100 0.226 0.000 1.178 242 Y CB 0.010 38.595 38.460 0.208 0.000 1.010 242 Y HN 0.248 nan 8.280 nan 0.000 0.536 243 A N 0.009 122.887 122.820 0.096 0.000 1.877 243 A HA -0.210 4.110 4.320 -0.000 0.000 0.216 243 A C 1.808 179.354 177.584 -0.064 0.000 1.186 243 A CA 1.858 53.860 52.037 -0.058 0.000 0.620 243 A CB -1.335 17.733 19.000 0.112 0.000 0.822 243 A HN 0.642 nan 8.150 nan 0.000 0.443 244 Y N -0.320 119.984 120.300 0.007 0.000 2.286 244 Y HA -0.097 4.453 4.550 -0.000 0.000 0.293 244 Y C 2.794 178.684 175.900 -0.016 0.000 1.124 244 Y CA 1.388 59.484 58.100 -0.006 0.000 1.178 244 Y CB -0.309 38.160 38.460 0.014 0.000 1.010 244 Y HN 0.338 nan 8.280 nan 0.000 0.536 245 Q N -1.082 118.828 119.800 0.183 0.000 2.049 245 Q HA -0.064 4.276 4.340 -0.000 0.000 0.198 245 Q C 2.268 178.306 176.000 0.062 0.000 0.971 245 Q CA 1.576 57.460 55.803 0.135 0.000 0.833 245 Q CB -0.364 28.515 28.738 0.235 0.000 0.896 245 Q HN 0.554 nan 8.270 nan 0.000 0.434 246 G N -0.868 107.935 108.800 0.006 0.000 2.784 246 G HA2 0.137 4.096 3.960 -0.000 0.000 0.208 246 G HA3 0.137 4.096 3.960 -0.000 0.000 0.208 246 G C 0.986 175.821 174.900 -0.109 0.000 1.120 246 G CA -0.192 44.896 45.100 -0.019 0.000 0.774 246 G HN 0.129 nan 8.290 nan 0.000 0.528 247 L N 0.782 121.875 121.223 -0.217 0.000 2.965 247 L HA 0.277 4.617 4.340 -0.000 0.000 0.254 247 L C 0.767 177.565 176.870 -0.120 0.000 1.220 247 L CA -0.386 54.346 54.840 -0.182 0.000 1.023 247 L CB -0.004 41.889 42.059 -0.276 0.000 1.355 247 L HN 0.135 nan 8.230 nan 0.000 0.545 248 N N 2.087 120.726 118.700 -0.102 0.000 2.714 248 N HA -0.214 4.525 4.740 -0.000 0.000 0.252 248 N C 0.203 175.610 175.510 -0.172 0.000 1.014 248 N CA 0.707 53.697 53.050 -0.100 0.000 0.735 248 N CB -0.422 38.044 38.487 -0.034 0.000 0.924 248 N HN 0.480 nan 8.380 nan 0.000 0.540 249 A N 0.593 123.227 122.820 -0.311 0.000 2.531 249 A HA 0.272 4.592 4.320 -0.000 0.000 0.236 249 A C 1.129 178.402 177.584 -0.518 0.000 1.062 249 A CA 0.726 52.485 52.037 -0.464 0.000 0.760 249 A CB 0.121 18.588 19.000 -0.889 0.000 0.995 249 A HN 0.569 nan 8.150 nan 0.000 0.501 250 D N -0.085 120.156 120.400 -0.265 0.000 3.070 250 D HA -0.237 4.403 4.640 -0.000 0.000 0.220 250 D C 0.586 176.562 176.300 -0.539 0.000 1.176 250 D CA 2.022 55.890 54.000 -0.220 0.000 0.924 250 D CB -1.194 39.505 40.800 -0.169 0.000 1.124 250 D HN 0.933 nan 8.370 nan 0.000 0.411 251 N N -1.988 116.262 118.700 -0.749 0.000 2.741 251 N HA -0.276 4.464 4.740 -0.000 0.000 0.251 251 N C 0.960 176.278 175.510 -0.321 0.000 1.112 251 N CA 1.432 54.037 53.050 -0.742 0.000 0.750 251 N CB -1.130 36.582 38.487 -1.292 0.000 1.119 251 N HN 0.590 nan 8.380 nan 0.000 0.561 252 M N -1.010 118.426 119.600 -0.273 0.000 2.156 252 M HA -0.079 4.401 4.480 -0.000 0.000 0.264 252 M C 1.514 177.739 176.300 -0.125 0.000 1.067 252 M CA 1.638 56.825 55.300 -0.189 0.000 1.131 252 M CB 0.043 32.525 32.600 -0.197 0.000 1.368 252 M HN 0.118 nan 8.290 nan 0.000 0.416 253 V N -0.237 119.619 119.914 -0.097 0.000 2.343 253 V HA -0.293 3.827 4.120 -0.000 0.000 0.247 253 V C 2.140 178.206 176.094 -0.047 0.000 1.051 253 V CA 1.922 64.183 62.300 -0.065 0.000 1.036 253 V CB -1.107 30.695 31.823 -0.036 0.000 0.654 253 V HN 0.570 nan 8.190 nan 0.000 0.451 254 Y N 1.042 121.268 120.300 -0.122 0.000 2.220 254 Y HA -0.181 4.369 4.550 -0.000 0.000 0.291 254 Y C 2.325 178.175 175.900 -0.082 0.000 1.129 254 Y CA 1.897 59.941 58.100 -0.095 0.000 1.161 254 Y CB -0.126 38.269 38.460 -0.109 0.000 0.997 254 Y HN 0.281 nan 8.280 nan 0.000 0.522 255 D N 0.082 120.457 120.400 -0.041 0.000 2.123 255 D HA -0.150 4.490 4.640 -0.000 0.000 0.200 255 D C 2.277 178.531 176.300 -0.077 0.000 0.976 255 D CA 1.505 55.469 54.000 -0.060 0.000 0.831 255 D CB -0.257 40.520 40.800 -0.039 0.000 0.974 255 D HN 0.414 nan 8.370 nan 0.000 0.469 256 I N 0.309 120.835 120.570 -0.073 0.000 2.208 256 I HA -0.228 3.942 4.170 -0.000 0.000 0.245 256 I C 2.149 178.254 176.117 -0.019 0.000 1.097 256 I CA 0.734 62.011 61.300 -0.038 0.000 1.363 256 I CB -0.069 37.866 38.000 -0.108 0.000 1.051 256 I HN -0.079 nan 8.210 nan 0.000 0.413 257 V N 0.563 120.409 119.914 -0.113 0.000 2.719 257 V HA -0.203 3.916 4.120 -0.000 0.000 0.252 257 V C 2.408 178.409 176.094 -0.156 0.000 1.065 257 V CA 1.364 63.591 62.300 -0.122 0.000 1.086 257 V CB -0.655 31.065 31.823 -0.171 0.000 0.700 257 V HN 0.392 nan 8.190 nan 0.000 0.467 258 K N 1.332 121.581 120.400 -0.252 0.000 2.097 258 K HA -0.230 4.090 4.320 -0.000 0.000 0.206 258 K C 2.206 178.751 176.600 -0.092 0.000 1.049 258 K CA 1.913 58.067 56.287 -0.221 0.000 0.933 258 K CB -0.026 32.326 32.500 -0.247 0.000 0.717 258 K HN 0.603 nan 8.250 nan 0.000 0.442 259 K N -1.552 118.824 120.400 -0.040 0.000 2.284 259 K HA -0.044 4.276 4.320 -0.000 0.000 0.198 259 K C 1.126 177.676 176.600 -0.084 0.000 1.048 259 K CA 0.942 57.206 56.287 -0.039 0.000 0.987 259 K CB 0.008 32.499 32.500 -0.015 0.000 0.800 259 K HN 0.140 nan 8.250 nan 0.000 0.486 260 H N -0.246 118.793 119.070 -0.051 0.000 2.539 260 H HA 0.233 4.789 4.556 -0.000 0.000 0.269 260 H C 1.650 176.958 175.328 -0.034 0.000 0.980 260 H CA 0.638 56.666 56.048 -0.032 0.000 1.152 260 H CB 0.903 30.651 29.762 -0.023 0.000 1.407 260 H HN 0.459 nan 8.280 nan 0.000 0.564 261 G N 0.102 108.921 108.800 0.032 0.000 2.484 261 G HA2 -0.156 3.804 3.960 -0.000 0.000 0.218 261 G HA3 -0.156 3.804 3.960 -0.000 0.000 0.218 261 G C 1.465 176.364 174.900 -0.002 0.000 1.130 261 G CA 0.278 45.380 45.100 0.004 0.000 0.784 261 G HN 0.290 nan 8.290 nan 0.000 0.543 262 K N -0.673 119.719 120.400 -0.014 0.000 2.308 262 K HA 0.178 4.498 4.320 -0.000 0.000 0.197 262 K C 1.514 178.107 176.600 -0.011 0.000 1.049 262 K CA 0.498 56.776 56.287 -0.015 0.000 0.991 262 K CB 0.414 32.900 32.500 -0.023 0.000 0.836 262 K HN 0.196 nan 8.250 nan 0.000 0.500 263 E N -0.396 119.793 120.200 -0.018 0.000 2.702 263 E HA 0.086 4.436 4.350 -0.000 0.000 0.225 263 E C 0.168 176.770 176.600 0.004 0.000 0.942 263 E CA -0.269 56.121 56.400 -0.016 0.000 1.210 263 E CB 1.396 31.073 29.700 -0.037 0.000 1.143 263 E HN 0.155 nan 8.360 nan 0.000 0.544 264 G N 0.993 109.812 108.800 0.033 0.000 2.504 264 G HA2 0.388 4.348 3.960 -0.000 0.000 0.288 264 G HA3 0.388 4.348 3.960 -0.000 0.000 0.288 264 G C 0.221 175.191 174.900 0.117 0.000 1.182 264 G CA 0.110 45.285 45.100 0.124 0.000 0.894 264 G HN 0.066 nan 8.290 nan 0.000 0.521 265 T N -3.278 111.360 114.554 0.141 0.000 2.676 265 T HA 0.371 4.721 4.350 -0.000 0.000 0.269 265 T C 1.157 175.917 174.700 0.101 0.000 0.952 265 T CA -0.142 62.015 62.100 0.096 0.000 1.040 265 T CB 1.109 70.021 68.868 0.074 0.000 1.352 265 T HN 0.204 nan 8.240 nan 0.000 0.554 266 V N 0.839 120.810 119.914 0.095 0.000 2.667 266 V HA 0.119 4.239 4.120 -0.000 0.000 0.252 266 V C 2.758 178.931 176.094 0.131 0.000 1.065 266 V CA 2.144 64.521 62.300 0.129 0.000 1.083 266 V CB -1.265 30.652 31.823 0.157 0.000 0.692 266 V HN 1.055 nan 8.190 nan 0.000 0.468 267 G N 0.603 109.463 108.800 0.101 0.000 2.394 267 G HA2 -0.225 3.735 3.960 -0.000 0.000 0.215 267 G HA3 -0.225 3.735 3.960 -0.000 0.000 0.215 267 G C 1.780 176.735 174.900 0.091 0.000 1.165 267 G CA 1.426 46.578 45.100 0.086 0.000 0.784 267 G HN 0.555 nan 8.290 nan 0.000 0.535 268 T N -0.601 114.028 114.554 0.125 0.000 2.867 268 T HA -0.058 4.291 4.350 -0.000 0.000 0.268 268 T C 2.276 177.006 174.700 0.049 0.000 1.057 268 T CA 1.296 63.520 62.100 0.206 0.000 1.136 268 T CB -0.327 68.758 68.868 0.362 0.000 0.874 268 T HN 0.007 nan 8.240 nan 0.000 0.466 269 V N 1.268 121.110 119.914 -0.119 0.000 2.358 269 V HA -0.106 4.013 4.120 -0.000 0.000 0.246 269 V C 2.920 179.000 176.094 -0.024 0.000 1.047 269 V CA 1.139 63.271 62.300 -0.279 0.000 1.035 269 V CB -0.710 31.038 31.823 -0.125 0.000 0.658 269 V HN 0.370 nan 8.190 nan 0.000 0.452 270 V N 0.325 120.283 119.914 0.072 0.000 2.252 270 V HA -0.325 3.795 4.120 -0.000 0.000 0.249 270 V C 2.639 178.744 176.094 0.019 0.000 1.056 270 V CA 2.583 64.889 62.300 0.010 0.000 1.022 270 V CB -0.769 31.020 31.823 -0.058 0.000 0.641 270 V HN 0.486 nan 8.190 nan 0.000 0.445 271 R N 0.403 120.926 120.500 0.038 0.000 2.120 271 R HA -0.176 4.164 4.340 -0.000 0.000 0.234 271 R C 2.105 178.437 176.300 0.053 0.000 1.123 271 R CA 1.708 57.839 56.100 0.052 0.000 0.975 271 R CB -0.505 29.843 30.300 0.080 0.000 0.866 271 R HN 0.560 nan 8.270 nan 0.000 0.446 272 E N -0.572 119.649 120.200 0.033 0.000 2.153 272 E HA -0.092 4.258 4.350 -0.000 0.000 0.194 272 E C 1.651 178.270 176.600 0.032 0.000 0.988 272 E CA 1.396 57.814 56.400 0.029 0.000 0.811 272 E CB -0.069 29.568 29.700 -0.106 0.000 0.746 272 E HN 0.195 nan 8.360 nan 0.000 0.466 273 V N -0.328 119.612 119.914 0.042 0.000 2.379 273 V HA -0.189 3.931 4.120 -0.000 0.000 0.245 273 V C 2.340 178.534 176.094 0.167 0.000 1.044 273 V CA 1.463 63.819 62.300 0.093 0.000 1.036 273 V CB -0.332 31.553 31.823 0.103 0.000 0.664 273 V HN 0.181 nan 8.190 nan 0.000 0.453 274 V N -0.343 119.635 119.914 0.106 0.000 2.427 274 V HA -0.157 3.963 4.120 -0.000 0.000 0.248 274 V C 2.562 178.633 176.094 -0.039 0.000 1.051 274 V CA 1.551 63.859 62.300 0.014 0.000 1.048 274 V CB -0.659 31.099 31.823 -0.108 0.000 0.666 274 V HN 0.507 nan 8.190 nan 0.000 0.456 275 E N 0.461 120.667 120.200 0.011 0.000 2.047 275 E HA -0.152 4.198 4.350 -0.000 0.000 0.191 275 E C 2.412 179.047 176.600 0.059 0.000 0.987 275 E CA 1.083 57.495 56.400 0.020 0.000 0.799 275 E CB -0.257 29.468 29.700 0.042 0.000 0.752 275 E HN 0.529 nan 8.360 nan 0.000 0.449 276 R N 0.242 120.806 120.500 0.106 0.000 2.115 276 R HA 0.018 4.358 4.340 -0.000 0.000 0.226 276 R C 2.230 178.700 176.300 0.283 0.000 1.100 276 R CA 0.984 57.181 56.100 0.160 0.000 0.980 276 R CB -0.138 30.230 30.300 0.113 0.000 0.875 276 R HN 0.081 nan 8.270 nan 0.000 0.445 277 A N 0.713 123.724 122.820 0.319 0.000 1.968 277 A HA -0.108 4.212 4.320 -0.000 0.000 0.217 277 A C 1.912 179.525 177.584 0.048 0.000 1.169 277 A CA 0.815 52.998 52.037 0.243 0.000 0.638 277 A CB -0.219 18.991 19.000 0.350 0.000 0.812 277 A HN 0.117 nan 8.150 nan 0.000 0.446 278 L N -0.164 121.060 121.223 0.002 0.000 2.027 278 L HA -0.085 4.255 4.340 -0.000 0.000 0.206 278 L C 2.287 179.164 176.870 0.011 0.000 1.074 278 L CA 2.371 57.186 54.840 -0.041 0.000 0.745 278 L CB -0.832 41.186 42.059 -0.069 0.000 0.898 278 L HN 0.493 nan 8.230 nan 0.000 0.433 279 E N -0.574 119.653 120.200 0.046 0.000 2.274 279 E HA -0.151 4.199 4.350 -0.000 0.000 0.194 279 E C 1.090 177.728 176.600 0.064 0.000 0.996 279 E CA 0.937 57.370 56.400 0.055 0.000 0.840 279 E CB -0.053 29.687 29.700 0.066 0.000 0.772 279 E HN 0.412 nan 8.360 nan 0.000 0.491 280 D N -1.258 119.191 120.400 0.082 0.000 2.369 280 D HA 0.196 4.836 4.640 -0.000 0.000 0.211 280 D C 0.746 177.058 176.300 0.020 0.000 1.077 280 D CA 0.692 54.739 54.000 0.079 0.000 0.842 280 D CB 0.507 41.402 40.800 0.158 0.000 0.947 280 D HN 0.245 nan 8.370 nan 0.000 0.509 281 G N 0.939 109.738 108.800 -0.001 0.000 2.179 281 G HA2 -0.332 3.628 3.960 -0.000 0.000 0.257 281 G HA3 -0.332 3.628 3.960 -0.000 0.000 0.257 281 G C 1.266 176.128 174.900 -0.062 0.000 1.010 281 G CA 0.609 45.693 45.100 -0.026 0.000 0.736 281 G HN 0.316 nan 8.290 nan 0.000 0.513 282 V N 0.095 119.951 119.914 -0.097 0.000 2.379 282 V HA 0.147 4.267 4.120 -0.000 0.000 0.245 282 V C 1.642 177.652 176.094 -0.139 0.000 1.044 282 V CA 2.139 64.349 62.300 -0.149 0.000 1.036 282 V CB -0.484 31.179 31.823 -0.268 0.000 0.664 282 V HN 0.838 nan 8.190 nan 0.000 0.453 283 I N -2.703 117.772 120.570 -0.160 0.000 2.892 283 I HA 0.756 4.925 4.170 -0.000 0.000 0.306 283 I C -0.497 175.548 176.117 -0.120 0.000 1.078 283 I CA -0.789 60.378 61.300 -0.222 0.000 1.032 283 I CB 2.411 40.139 38.000 -0.454 0.000 1.229 283 I HN 0.000 nan 8.210 nan 0.000 0.435 284 E N 1.851 122.013 120.200 -0.063 0.000 2.431 284 E HA 0.563 4.913 4.350 -0.000 0.000 0.240 284 E C -1.473 175.199 176.600 0.122 0.000 0.867 284 E CA -1.072 55.341 56.400 0.023 0.000 0.888 284 E CB 2.104 31.793 29.700 -0.018 0.000 1.739 284 E HN 0.417 nan 8.360 nan 0.000 0.413 285 V N 2.047 121.975 119.914 0.022 0.000 2.350 285 V HA 0.139 4.259 4.120 -0.000 0.000 0.276 285 V C 0.930 176.960 176.094 -0.107 0.000 1.028 285 V CA -0.095 62.137 62.300 -0.114 0.000 0.860 285 V CB 1.028 32.757 31.823 -0.156 0.000 0.990 285 V HN 0.599 nan 8.190 nan 0.000 0.453 286 K N 3.461 123.786 120.400 -0.126 0.000 1.975 286 K HA 0.060 4.380 4.320 -0.000 0.000 0.210 286 K C 0.578 177.125 176.600 -0.088 0.000 1.041 286 K CA 1.275 57.506 56.287 -0.093 0.000 0.942 286 K CB 0.267 32.715 32.500 -0.086 0.000 0.729 286 K HN 0.783 nan 8.250 nan 0.000 0.439 287 E N -0.761 119.379 120.200 -0.099 0.000 2.429 287 E HA 0.172 4.522 4.350 -0.000 0.000 0.276 287 E C -1.742 174.803 176.600 -0.092 0.000 0.953 287 E CA -0.593 55.761 56.400 -0.077 0.000 0.787 287 E CB 2.155 31.827 29.700 -0.047 0.000 1.307 287 E HN 0.081 nan 8.360 nan 0.000 0.458 288 E N 2.615 122.776 120.200 -0.066 0.000 2.102 288 E HA 0.254 4.603 4.350 -0.000 0.000 0.263 288 E C -0.568 176.032 176.600 -0.001 0.000 0.894 288 E CA -0.280 56.087 56.400 -0.054 0.000 0.746 288 E CB 0.592 30.255 29.700 -0.062 0.000 1.129 288 E HN 0.402 nan 8.360 nan 0.000 0.416 289 L N 4.199 125.453 121.223 0.052 0.000 2.468 289 L HA 0.154 4.494 4.340 -0.000 0.000 0.253 289 L C -1.674 175.223 176.870 0.045 0.000 1.237 289 L CA -1.773 53.101 54.840 0.056 0.000 0.823 289 L CB -0.174 41.939 42.059 0.090 0.000 1.124 289 L HN 0.473 nan 8.230 nan 0.000 0.504 290 P HA -0.026 nan 4.420 nan 0.000 0.229 290 P C 0.194 177.514 177.300 0.033 0.000 1.597 290 P CA 0.791 63.901 63.100 0.016 0.000 1.030 290 P CB 0.339 32.038 31.700 -0.001 0.000 1.897 291 S N -0.445 115.292 115.700 0.061 0.000 1.470 291 S HA -0.093 4.376 4.470 -0.000 0.000 0.247 291 S C -0.295 174.390 174.600 0.141 0.000 0.861 291 S CA -0.415 57.832 58.200 0.078 0.000 1.032 291 S CB -1.587 61.654 63.200 0.067 0.000 1.140 291 S HN 0.304 nan 8.310 nan 0.000 0.509 292 F N 3.358 123.279 119.950 -0.048 0.000 2.551 292 F HA 0.755 5.281 4.527 -0.000 0.000 0.316 292 F C -0.927 174.795 175.800 -0.130 0.000 1.089 292 F CA -0.816 57.146 58.000 -0.062 0.000 0.915 292 F CB 1.237 40.220 39.000 -0.028 0.000 1.186 292 F HN -0.077 nan 8.300 nan 0.000 0.456 293 K N 4.718 124.681 120.400 -0.728 0.000 2.258 293 K HA 0.447 4.767 4.320 -0.000 0.000 0.284 293 K C -1.047 174.914 176.600 -1.064 0.000 1.051 293 K CA -0.784 55.006 56.287 -0.829 0.000 0.923 293 K CB 1.829 33.718 32.500 -1.018 0.000 1.046 293 K HN 0.443 nan 8.250 nan 0.000 0.474 294 V N 4.932 124.578 119.914 -0.446 0.000 2.389 294 V HA 0.105 4.225 4.120 -0.000 0.000 0.264 294 V C -0.611 175.269 176.094 -0.357 0.000 1.049 294 V CA -0.481 61.679 62.300 -0.233 0.000 0.932 294 V CB -0.590 31.221 31.823 -0.020 0.000 1.011 294 V HN 0.534 nan 8.190 nan 0.000 0.475 295 Y N 4.544 124.720 120.300 -0.205 0.000 2.308 295 Y HA 0.471 5.021 4.550 -0.000 0.000 0.329 295 Y C 0.710 176.455 175.900 -0.258 0.000 1.111 295 Y CA -0.676 57.275 58.100 -0.247 0.000 1.179 295 Y CB 1.077 39.342 38.460 -0.324 0.000 1.201 295 Y HN 0.586 nan 8.280 nan 0.000 0.483 296 K N 1.220 121.570 120.400 -0.082 0.000 2.139 296 K HA 0.908 5.228 4.320 -0.000 0.000 0.243 296 K C -1.104 175.355 176.600 -0.235 0.000 0.983 296 K CA -1.111 55.086 56.287 -0.150 0.000 0.890 296 K CB 1.537 33.972 32.500 -0.108 0.000 1.090 296 K HN 0.599 nan 8.250 nan 0.000 0.445 297 A N 1.946 124.618 122.820 -0.246 0.000 2.260 297 A HA 0.219 4.538 4.320 -0.000 0.000 0.314 297 A C -0.086 177.416 177.584 -0.137 0.000 1.257 297 A CA -0.968 50.919 52.037 -0.251 0.000 0.871 297 A CB 0.268 19.131 19.000 -0.228 0.000 1.166 297 A HN 0.830 nan 8.150 nan 0.000 0.522 298 N N 0.877 119.506 118.700 -0.118 0.000 2.300 298 N HA -0.036 4.704 4.740 -0.000 0.000 0.179 298 N C -0.558 174.917 175.510 -0.059 0.000 1.016 298 N CA 1.148 54.151 53.050 -0.079 0.000 0.876 298 N CB 0.169 38.614 38.487 -0.071 0.000 0.979 298 N HN 0.768 nan 8.380 nan 0.000 0.432 299 D N -0.557 119.812 120.400 -0.052 0.000 2.402 299 D HA 0.190 4.830 4.640 -0.000 0.000 0.252 299 D C 0.602 176.918 176.300 0.027 0.000 1.294 299 D CA -0.385 53.599 54.000 -0.026 0.000 0.948 299 D CB 0.880 41.654 40.800 -0.044 0.000 1.202 299 D HN -0.291 nan 8.370 nan 0.000 0.561 300 M N 2.130 121.749 119.600 0.032 0.000 2.159 300 M HA -0.062 4.418 4.480 -0.000 0.000 0.263 300 M C 0.734 177.121 176.300 0.145 0.000 1.063 300 M CA 1.778 57.139 55.300 0.103 0.000 1.110 300 M CB -0.127 32.479 32.600 0.010 0.000 1.374 300 M HN 0.331 nan 8.290 nan 0.000 0.411 301 D N -0.600 119.841 120.400 0.068 0.000 2.123 301 D HA -0.110 4.530 4.640 -0.000 0.000 0.200 301 D C 1.985 178.266 176.300 -0.031 0.000 0.976 301 D CA 0.864 54.890 54.000 0.044 0.000 0.831 301 D CB -0.405 40.419 40.800 0.041 0.000 0.974 301 D HN 0.278 nan 8.370 nan 0.000 0.469 302 L N 0.149 121.338 121.223 -0.057 0.000 2.240 302 L HA -0.027 4.312 4.340 -0.000 0.000 0.211 302 L C 1.862 178.586 176.870 -0.244 0.000 1.106 302 L CA 0.874 55.602 54.840 -0.188 0.000 0.793 302 L CB -0.354 41.583 42.059 -0.202 0.000 0.927 302 L HN 0.323 nan 8.230 nan 0.000 0.446 303 W N 1.198 122.350 121.300 -0.247 0.000 2.379 303 W HA -0.249 4.411 4.660 -0.000 0.000 0.307 303 W C 2.130 178.590 176.519 -0.098 0.000 1.200 303 W CA 1.410 58.641 57.345 -0.191 0.000 1.297 303 W CB -0.444 28.938 29.460 -0.131 0.000 1.140 303 W HN 0.321 nan 8.180 nan 0.000 0.507 304 N N 1.316 119.773 118.700 -0.405 0.000 2.069 304 N HA -0.213 4.526 4.740 -0.000 0.000 0.191 304 N C 1.964 177.162 175.510 -0.520 0.000 1.031 304 N CA 2.313 55.046 53.050 -0.529 0.000 0.852 304 N CB -0.534 37.759 38.487 -0.322 0.000 1.018 304 N HN 0.141 nan 8.380 nan 0.000 0.423 305 A N 0.356 122.961 122.820 -0.359 0.000 1.917 305 A HA -0.193 4.127 4.320 -0.000 0.000 0.219 305 A C 2.019 179.430 177.584 -0.287 0.000 1.182 305 A CA 1.220 53.074 52.037 -0.306 0.000 0.633 305 A CB -1.065 17.710 19.000 -0.375 0.000 0.819 305 A HN 0.474 nan 8.150 nan 0.000 0.448 306 Y N -0.293 119.681 120.300 -0.543 0.000 2.114 306 Y HA -0.080 4.470 4.550 -0.000 0.000 0.284 306 Y C 2.996 178.687 175.900 -0.349 0.000 1.143 306 Y CA 0.605 58.475 58.100 -0.383 0.000 1.135 306 Y CB -0.969 37.329 38.460 -0.269 0.000 0.980 306 Y HN 0.329 nan 8.280 nan 0.000 0.499 307 A N -0.261 122.287 122.820 -0.454 0.000 1.933 307 A HA -0.123 4.197 4.320 -0.000 0.000 0.218 307 A C 2.465 179.957 177.584 -0.153 0.000 1.175 307 A CA 1.873 53.680 52.037 -0.383 0.000 0.628 307 A CB -1.209 17.349 19.000 -0.737 0.000 0.814 307 A HN 0.405 nan 8.150 nan 0.000 0.444 308 A N -0.112 122.550 122.820 -0.263 0.000 1.902 308 A HA 0.167 4.487 4.320 -0.000 0.000 0.217 308 A C 2.512 180.032 177.584 -0.106 0.000 1.181 308 A CA 2.050 53.966 52.037 -0.202 0.000 0.623 308 A CB -1.020 17.814 19.000 -0.277 0.000 0.818 308 A HN 1.047 nan 8.150 nan 0.000 0.443 309 A N -0.439 122.347 122.820 -0.057 0.000 1.902 309 A HA 0.095 4.414 4.320 -0.000 0.000 0.217 309 A C 2.406 179.916 177.584 -0.123 0.000 1.181 309 A CA 1.931 53.952 52.037 -0.026 0.000 0.623 309 A CB -1.421 17.615 19.000 0.059 0.000 0.818 309 A HN 0.797 nan 8.150 nan 0.000 0.443 310 G N -0.539 108.174 108.800 -0.145 0.000 2.470 310 G HA2 -0.085 3.875 3.960 -0.000 0.000 0.220 310 G HA3 -0.085 3.875 3.960 -0.000 0.000 0.220 310 G C 1.415 175.945 174.900 -0.617 0.000 1.121 310 G CA 1.119 46.102 45.100 -0.194 0.000 0.766 310 G HN 0.479 nan 8.290 nan 0.000 0.553 311 L N 0.812 121.557 121.223 -0.796 0.000 2.056 311 L HA 0.033 4.373 4.340 -0.000 0.000 0.207 311 L C 2.849 179.443 176.870 -0.459 0.000 1.078 311 L CA 1.412 55.651 54.840 -1.002 0.000 0.749 311 L CB -0.512 41.233 42.059 -0.523 0.000 0.901 311 L HN 0.065 nan 8.230 nan 0.000 0.433 312 V N 0.168 119.931 119.914 -0.251 0.000 2.343 312 V HA -0.249 3.871 4.120 -0.000 0.000 0.247 312 V C 2.809 178.827 176.094 -0.127 0.000 1.051 312 V CA 1.546 63.771 62.300 -0.125 0.000 1.036 312 V CB -1.451 30.340 31.823 -0.052 0.000 0.654 312 V HN 0.592 nan 8.190 nan 0.000 0.451 313 A N 0.081 122.805 122.820 -0.161 0.000 1.933 313 A HA -0.079 4.241 4.320 -0.000 0.000 0.218 313 A C 2.438 179.941 177.584 -0.135 0.000 1.175 313 A CA 1.939 53.895 52.037 -0.134 0.000 0.628 313 A CB -0.744 18.171 19.000 -0.142 0.000 0.814 313 A HN 0.560 nan 8.150 nan 0.000 0.444 314 A N -0.523 122.169 122.820 -0.213 0.000 1.908 314 A HA -0.033 4.286 4.320 -0.000 0.000 0.218 314 A C 2.232 179.774 177.584 -0.069 0.000 1.181 314 A CA 1.920 53.871 52.037 -0.143 0.000 0.627 314 A CB -0.879 17.963 19.000 -0.263 0.000 0.818 314 A HN 0.392 nan 8.150 nan 0.000 0.445 315 V N -0.361 119.501 119.914 -0.086 0.000 2.323 315 V HA -0.281 3.839 4.120 -0.000 0.000 0.244 315 V C 2.623 178.712 176.094 -0.008 0.000 1.041 315 V CA 2.160 64.445 62.300 -0.024 0.000 1.025 315 V CB -0.690 31.125 31.823 -0.013 0.000 0.656 315 V HN 0.568 nan 8.190 nan 0.000 0.451 316 M N -0.589 118.997 119.600 -0.023 0.000 2.117 316 M HA -0.158 4.321 4.480 -0.000 0.000 0.262 316 M C 2.164 178.461 176.300 -0.006 0.000 1.065 316 M CA 1.657 56.951 55.300 -0.011 0.000 1.114 316 M CB -0.468 32.118 32.600 -0.023 0.000 1.361 316 M HN 0.225 nan 8.290 nan 0.000 0.408 317 V N 0.436 120.343 119.914 -0.012 0.000 2.307 317 V HA -0.230 3.889 4.120 -0.000 0.000 0.245 317 V C 2.087 178.193 176.094 0.020 0.000 1.045 317 V CA 1.961 64.265 62.300 0.007 0.000 1.024 317 V CB -0.872 30.963 31.823 0.020 0.000 0.651 317 V HN 0.485 nan 8.190 nan 0.000 0.449 318 N N 0.245 118.959 118.700 0.023 0.000 2.051 318 N HA -0.166 4.574 4.740 -0.000 0.000 0.192 318 N C 1.891 177.420 175.510 0.031 0.000 1.049 318 N CA 1.680 54.750 53.050 0.033 0.000 0.845 318 N CB -0.253 38.259 38.487 0.042 0.000 1.031 318 N HN 0.323 nan 8.380 nan 0.000 0.425 319 Q N -0.360 119.459 119.800 0.031 0.000 2.167 319 Q HA 0.167 4.506 4.340 -0.000 0.000 0.202 319 Q C 1.932 177.951 176.000 0.032 0.000 0.970 319 Q CA 1.346 57.170 55.803 0.036 0.000 0.855 319 Q CB -0.900 27.864 28.738 0.043 0.000 0.911 319 Q HN 0.510 nan 8.270 nan 0.000 0.438 320 G N -0.017 108.799 108.800 0.026 0.000 2.432 320 G HA2 -0.190 3.770 3.960 -0.000 0.000 0.219 320 G HA3 -0.190 3.770 3.960 -0.000 0.000 0.219 320 G C 1.420 176.333 174.900 0.021 0.000 1.135 320 G CA 0.854 45.968 45.100 0.023 0.000 0.767 320 G HN 0.452 nan 8.290 nan 0.000 0.550 321 A N 0.928 123.760 122.820 0.021 0.000 1.930 321 A HA 0.398 4.718 4.320 -0.000 0.000 0.217 321 A C 2.691 180.287 177.584 0.021 0.000 1.175 321 A CA 1.973 54.022 52.037 0.020 0.000 0.627 321 A CB -0.500 18.513 19.000 0.021 0.000 0.815 321 A HN 0.688 nan 8.150 nan 0.000 0.443 322 A N -1.833 121.002 122.820 0.024 0.000 2.072 322 A HA 0.172 4.492 4.320 -0.000 0.000 0.216 322 A C 1.125 178.724 177.584 0.026 0.000 1.156 322 A CA 0.609 52.661 52.037 0.025 0.000 0.701 322 A CB -0.108 18.909 19.000 0.029 0.000 0.816 322 A HN 0.340 nan 8.150 nan 0.000 0.458 323 R N -1.985 118.531 120.500 0.028 0.000 3.516 323 R HA -0.197 4.143 4.340 -0.000 0.000 0.271 323 R C -0.095 176.225 176.300 0.034 0.000 1.098 323 R CA 0.936 57.053 56.100 0.030 0.000 0.732 323 R CB -2.947 27.368 30.300 0.025 0.000 1.152 323 R HN 1.187 nan 8.270 nan 0.000 0.455 324 A N -1.427 121.416 122.820 0.039 0.000 2.427 324 A HA 0.827 5.147 4.320 -0.000 0.000 0.298 324 A C 0.736 178.353 177.584 0.055 0.000 1.036 324 A CA 0.009 52.073 52.037 0.045 0.000 0.701 324 A CB 1.641 20.666 19.000 0.041 0.000 1.250 324 A HN 0.193 nan 8.150 nan 0.000 0.412 325 A N 0.893 123.753 122.820 0.066 0.000 1.831 325 A HA 0.099 4.418 4.320 -0.000 0.000 0.213 325 A C 1.684 179.316 177.584 0.079 0.000 1.223 325 A CA 2.024 54.112 52.037 0.084 0.000 0.604 325 A CB -1.118 17.948 19.000 0.109 0.000 0.878 325 A HN 1.194 nan 8.150 nan 0.000 0.450 326 Q N -2.137 117.709 119.800 0.077 0.000 2.500 326 Q HA -0.351 3.989 4.340 -0.000 0.000 0.411 326 Q C 1.373 177.407 176.000 0.056 0.000 1.570 326 Q CA 2.227 58.070 55.803 0.067 0.000 0.901 326 Q CB -1.599 27.187 28.738 0.080 0.000 1.374 326 Q HN 0.728 nan 8.270 nan 0.000 0.973 327 G N -0.229 108.605 108.800 0.056 0.000 3.210 327 G HA2 0.145 4.105 3.960 -0.000 0.000 0.220 327 G HA3 0.145 4.105 3.960 -0.000 0.000 0.220 327 G C 0.886 175.789 174.900 0.004 0.000 1.200 327 G CA 0.624 45.740 45.100 0.026 0.000 0.834 327 G HN 0.389 nan 8.290 nan 0.000 0.524 328 V N 1.605 121.519 119.914 0.002 0.000 2.469 328 V HA -0.217 3.903 4.120 -0.000 0.000 0.251 328 V C 2.949 179.022 176.094 -0.035 0.000 1.064 328 V CA 3.110 65.427 62.300 0.028 0.000 1.066 328 V CB -0.297 31.593 31.823 0.113 0.000 0.667 328 V HN 0.526 nan 8.190 nan 0.000 0.461 329 S N 0.607 116.136 115.700 -0.285 0.000 2.383 329 S HA -0.027 4.443 4.470 -0.000 0.000 0.227 329 S C 2.119 176.619 174.600 -0.167 0.000 1.026 329 S CA 1.317 59.232 58.200 -0.475 0.000 0.981 329 S CB -0.658 61.893 63.200 -1.081 0.000 0.818 329 S HN 0.926 nan 8.310 nan 0.000 0.472 330 A N 1.804 124.580 122.820 -0.073 0.000 1.897 330 A HA 0.048 4.367 4.320 -0.000 0.000 0.215 330 A C 2.406 180.097 177.584 0.179 0.000 1.181 330 A CA 1.795 53.892 52.037 0.099 0.000 0.620 330 A CB -1.554 17.523 19.000 0.128 0.000 0.821 330 A HN 0.551 nan 8.150 nan 0.000 0.443 331 T N 0.769 115.392 114.554 0.116 0.000 2.684 331 T HA -0.136 4.213 4.350 -0.000 0.000 0.267 331 T C 1.810 176.596 174.700 0.144 0.000 1.036 331 T CA 1.656 63.840 62.100 0.139 0.000 1.148 331 T CB -0.470 68.447 68.868 0.082 0.000 0.863 331 T HN 0.430 nan 8.240 nan 0.000 0.436 332 I N 0.692 121.315 120.570 0.089 0.000 2.226 332 I HA -0.133 4.037 4.170 -0.000 0.000 0.245 332 I C 2.460 178.616 176.117 0.066 0.000 1.100 332 I CA 1.070 62.427 61.300 0.096 0.000 1.374 332 I CB -0.494 37.569 38.000 0.105 0.000 1.057 332 I HN 0.191 nan 8.210 nan 0.000 0.413 333 L N -0.018 121.179 121.223 -0.044 0.000 1.970 333 L HA -0.283 4.057 4.340 -0.000 0.000 0.212 333 L C 2.478 179.155 176.870 -0.323 0.000 1.071 333 L CA 2.055 56.745 54.840 -0.249 0.000 0.751 333 L CB -0.336 41.437 42.059 -0.477 0.000 0.889 333 L HN 0.183 nan 8.230 nan 0.000 0.432 334 Y N -2.689 117.660 120.300 0.082 0.000 2.517 334 Y HA -0.182 4.368 4.550 -0.000 0.000 0.281 334 Y C 2.119 178.074 175.900 0.093 0.000 1.125 334 Y CA 0.708 58.853 58.100 0.074 0.000 1.283 334 Y CB -0.197 38.292 38.460 0.050 0.000 1.042 334 Y HN 0.238 nan 8.280 nan 0.000 0.547 335 Y N 1.317 121.679 120.300 0.104 0.000 2.145 335 Y HA -0.274 4.275 4.550 -0.000 0.000 0.286 335 Y C 1.547 177.478 175.900 0.053 0.000 1.145 335 Y CA 2.048 60.189 58.100 0.068 0.000 1.148 335 Y CB -0.566 37.910 38.460 0.028 0.000 0.981 335 Y HN 0.078 nan 8.280 nan 0.000 0.507 336 N N -0.228 118.490 118.700 0.030 0.000 2.300 336 N HA -0.090 4.649 4.740 -0.000 0.000 0.179 336 N C 1.363 176.860 175.510 -0.022 0.000 1.016 336 N CA 1.051 54.077 53.050 -0.040 0.000 0.876 336 N CB -0.202 38.317 38.487 0.053 0.000 0.979 336 N HN 0.441 nan 8.380 nan 0.000 0.432 337 D N 0.575 120.989 120.400 0.025 0.000 2.078 337 D HA -0.076 4.564 4.640 -0.000 0.000 0.193 337 D C 1.759 178.177 176.300 0.197 0.000 0.990 337 D CA 0.969 55.045 54.000 0.126 0.000 0.827 337 D CB 0.014 40.889 40.800 0.125 0.000 0.975 337 D HN 0.093 nan 8.370 nan 0.000 0.451 338 L N 0.369 121.675 121.223 0.139 0.000 1.970 338 L HA -0.159 4.181 4.340 -0.000 0.000 0.212 338 L C 2.631 179.535 176.870 0.058 0.000 1.071 338 L CA 0.721 55.633 54.840 0.119 0.000 0.751 338 L CB -0.710 41.390 42.059 0.067 0.000 0.889 338 L HN 0.282 nan 8.230 nan 0.000 0.432 339 L N 0.078 121.237 121.223 -0.105 0.000 2.189 339 L HA -0.246 4.094 4.340 -0.000 0.000 0.214 339 L C 2.387 179.270 176.870 0.022 0.000 1.097 339 L CA 1.855 56.620 54.840 -0.126 0.000 0.764 339 L CB -0.377 41.445 42.059 -0.394 0.000 0.900 339 L HN 0.459 nan 8.230 nan 0.000 0.436 340 E N -1.239 118.962 120.200 0.002 0.000 2.051 340 E HA -0.186 4.163 4.350 -0.000 0.000 0.189 340 E C 1.616 178.136 176.600 -0.134 0.000 0.979 340 E CA 0.987 57.343 56.400 -0.074 0.000 0.803 340 E CB -0.086 29.495 29.700 -0.197 0.000 0.761 340 E HN 0.529 nan 8.360 nan 0.000 0.451 341 Y N 0.314 120.686 120.300 0.120 0.000 2.529 341 Y HA -0.001 4.549 4.550 -0.000 0.000 0.290 341 Y C 1.921 177.971 175.900 0.251 0.000 1.177 341 Y CA 0.313 58.507 58.100 0.156 0.000 1.305 341 Y CB 0.402 38.917 38.460 0.092 0.000 1.047 341 Y HN 0.022 nan 8.280 nan 0.000 0.522 342 E N -0.298 120.074 120.200 0.286 0.000 2.400 342 E HA -0.053 4.297 4.350 -0.000 0.000 0.195 342 E C 1.727 178.460 176.600 0.223 0.000 1.012 342 E CA 1.349 57.904 56.400 0.258 0.000 0.875 342 E CB 0.218 30.003 29.700 0.142 0.000 0.859 342 E HN 0.374 nan 8.360 nan 0.000 0.498 343 T N -5.473 109.209 114.554 0.213 0.000 3.057 343 T HA 0.304 4.653 4.350 -0.000 0.000 0.254 343 T C 1.529 176.337 174.700 0.180 0.000 0.965 343 T CA 0.364 62.586 62.100 0.203 0.000 0.978 343 T CB 0.305 69.188 68.868 0.026 0.000 1.169 343 T HN 0.263 nan 8.240 nan 0.000 0.489 344 G N 1.681 110.561 108.800 0.134 0.000 2.137 344 G HA2 -0.139 3.821 3.960 -0.000 0.000 0.237 344 G HA3 -0.139 3.821 3.960 -0.000 0.000 0.237 344 G C -0.236 174.653 174.900 -0.019 0.000 1.002 344 G CA 0.352 45.490 45.100 0.063 0.000 0.702 344 G HN 0.698 nan 8.290 nan 0.000 0.515 345 L N -0.395 120.815 121.223 -0.021 0.000 2.323 345 L HA 0.578 4.918 4.340 -0.000 0.000 0.265 345 L C -2.163 174.772 176.870 0.109 0.000 1.012 345 L CA -2.699 52.139 54.840 -0.002 0.000 0.820 345 L CB 2.251 44.227 42.059 -0.140 0.000 1.334 345 L HN -0.162 nan 8.230 nan 0.000 0.427 346 P HA 0.082 nan 4.420 nan 0.000 0.269 346 P C -0.154 177.306 177.300 0.266 0.000 1.209 346 P CA -0.104 63.118 63.100 0.203 0.000 0.776 346 P CB 0.600 32.450 31.700 0.250 0.000 0.876 347 G N 1.372 110.255 108.800 0.137 0.000 2.611 347 G HA2 0.266 4.225 3.960 -0.000 0.000 0.273 347 G HA3 0.266 4.225 3.960 -0.000 0.000 0.273 347 G C -0.461 174.425 174.900 -0.023 0.000 1.305 347 G CA -0.592 44.538 45.100 0.050 0.000 1.010 347 G HN 0.371 nan 8.290 nan 0.000 0.509 348 V N 0.823 120.663 119.914 -0.124 0.000 2.617 348 V HA 0.080 4.200 4.120 -0.000 0.000 0.304 348 V C 1.012 176.916 176.094 -0.317 0.000 1.040 348 V CA 1.481 63.595 62.300 -0.310 0.000 1.149 348 V CB 0.711 32.375 31.823 -0.265 0.000 0.914 348 V HN 0.974 nan 8.190 nan 0.000 0.487 349 D N 3.347 123.364 120.400 -0.637 0.000 3.041 349 D HA -0.271 4.369 4.640 -0.000 0.000 0.220 349 D C 0.227 176.289 176.300 -0.397 0.000 1.157 349 D CA 1.282 54.913 54.000 -0.616 0.000 0.876 349 D CB -1.373 39.353 40.800 -0.124 0.000 1.107 349 D HN 0.757 nan 8.370 nan 0.000 0.422 350 F N -3.199 116.753 119.950 0.003 0.000 3.091 350 F HA -0.211 4.316 4.527 -0.000 0.000 0.288 350 F C 1.747 177.574 175.800 0.044 0.000 0.907 350 F CA 0.574 58.596 58.000 0.037 0.000 1.028 350 F CB -1.621 37.418 39.000 0.065 0.000 1.022 350 F HN 0.396 nan 8.300 nan 0.000 0.665 351 G N -0.453 108.437 108.800 0.151 0.000 2.376 351 G HA2 -0.304 3.656 3.960 -0.000 0.000 0.208 351 G HA3 -0.304 3.656 3.960 -0.000 0.000 0.208 351 G C 0.906 175.853 174.900 0.078 0.000 1.032 351 G CA 0.082 45.245 45.100 0.104 0.000 0.641 351 G HN 0.391 nan 8.290 nan 0.000 0.503 352 R N 1.072 121.626 120.500 0.090 0.000 2.120 352 R HA 0.185 4.525 4.340 -0.000 0.000 0.234 352 R C 3.049 179.404 176.300 0.091 0.000 1.123 352 R CA 1.761 57.918 56.100 0.095 0.000 0.975 352 R CB -0.314 30.058 30.300 0.121 0.000 0.866 352 R HN 0.570 nan 8.270 nan 0.000 0.446 353 A N 1.155 124.017 122.820 0.071 0.000 1.858 353 A HA -0.219 4.101 4.320 -0.000 0.000 0.216 353 A C 2.036 179.663 177.584 0.071 0.000 1.190 353 A CA 1.442 53.527 52.037 0.080 0.000 0.617 353 A CB -0.459 18.572 19.000 0.052 0.000 0.827 353 A HN 0.381 nan 8.150 nan 0.000 0.443 354 E N -0.455 119.774 120.200 0.048 0.000 2.153 354 E HA -0.118 4.232 4.350 -0.000 0.000 0.194 354 E C 2.019 178.626 176.600 0.012 0.000 0.988 354 E CA 0.963 57.373 56.400 0.017 0.000 0.811 354 E CB -0.403 29.297 29.700 -0.000 0.000 0.746 354 E HN 0.527 nan 8.360 nan 0.000 0.466 355 G N 0.090 108.907 108.800 0.028 0.000 2.446 355 G HA2 -0.288 3.671 3.960 -0.000 0.000 0.217 355 G HA3 -0.288 3.671 3.960 -0.000 0.000 0.217 355 G C 1.619 176.531 174.900 0.021 0.000 1.168 355 G CA 1.369 46.475 45.100 0.010 0.000 0.771 355 G HN 0.276 nan 8.290 nan 0.000 0.551 356 T N 1.631 116.231 114.554 0.077 0.000 2.759 356 T HA -0.004 4.346 4.350 -0.000 0.000 0.269 356 T C 2.723 177.517 174.700 0.157 0.000 1.042 356 T CA 1.511 63.692 62.100 0.135 0.000 1.140 356 T CB -0.312 68.641 68.868 0.142 0.000 0.864 356 T HN 0.381 nan 8.240 nan 0.000 0.455 357 A N 0.651 123.550 122.820 0.131 0.000 2.066 357 A HA 0.083 4.402 4.320 -0.000 0.000 0.218 357 A C 2.494 180.121 177.584 0.070 0.000 1.157 357 A CA 0.690 52.813 52.037 0.142 0.000 0.670 357 A CB -0.634 18.404 19.000 0.064 0.000 0.804 357 A HN 0.366 nan 8.150 nan 0.000 0.453 358 V N -0.297 119.642 119.914 0.042 0.000 2.323 358 V HA -0.133 3.986 4.120 -0.000 0.000 0.244 358 V C 2.810 178.982 176.094 0.131 0.000 1.041 358 V CA 2.000 64.314 62.300 0.024 0.000 1.025 358 V CB -1.272 30.540 31.823 -0.019 0.000 0.656 358 V HN 0.564 nan 8.190 nan 0.000 0.451 359 G N -1.386 107.531 108.800 0.195 0.000 2.408 359 G HA2 -0.255 3.704 3.960 -0.000 0.000 0.217 359 G HA3 -0.255 3.704 3.960 -0.000 0.000 0.217 359 G C 1.659 176.859 174.900 0.500 0.000 1.150 359 G CA 0.756 46.093 45.100 0.396 0.000 0.776 359 G HN 0.493 nan 8.290 nan 0.000 0.542 360 F N 1.721 121.733 119.950 0.102 0.000 2.075 360 F HA -0.158 4.369 4.527 -0.000 0.000 0.297 360 F C 2.936 178.756 175.800 0.034 0.000 1.113 360 F CA 1.303 59.243 58.000 -0.099 0.000 1.218 360 F CB 0.105 38.961 39.000 -0.240 0.000 0.984 360 F HN 0.183 nan 8.300 nan 0.000 0.472 361 S N 0.995 116.699 115.700 0.007 0.000 2.359 361 S HA -0.256 4.213 4.470 -0.000 0.000 0.223 361 S C 1.597 176.314 174.600 0.195 0.000 1.039 361 S CA 1.611 59.787 58.200 -0.039 0.000 1.042 361 S CB -0.915 62.242 63.200 -0.071 0.000 0.915 361 S HN 0.538 nan 8.310 nan 0.000 0.439 362 F N 1.812 121.787 119.950 0.041 0.000 2.043 362 F HA -0.103 4.424 4.527 -0.000 0.000 0.297 362 F C 1.527 177.348 175.800 0.034 0.000 1.121 362 F CA 1.191 59.181 58.000 -0.018 0.000 1.199 362 F CB -0.874 38.032 39.000 -0.156 0.000 0.968 362 F HN 0.186 nan 8.300 nan 0.000 0.478 363 F N 0.249 120.190 119.950 -0.015 0.000 2.795 363 F HA 0.037 4.563 4.527 -0.000 0.000 0.303 363 F C 1.731 177.639 175.800 0.179 0.000 1.186 363 F CA 0.578 58.535 58.000 -0.072 0.000 1.415 363 F CB -0.389 38.679 39.000 0.113 0.000 1.106 363 F HN 0.129 nan 8.300 nan 0.000 0.558 364 S N -2.812 113.066 115.700 0.296 0.000 2.730 364 S HA 0.171 4.641 4.470 -0.000 0.000 0.244 364 S C 0.061 174.555 174.600 -0.177 0.000 1.022 364 S CA -0.248 58.055 58.200 0.171 0.000 1.014 364 S CB -0.344 62.943 63.200 0.146 0.000 0.963 364 S HN 0.395 nan 8.310 nan 0.000 0.540 365 H N 1.396 120.483 119.070 0.029 0.000 3.043 365 H HA 0.453 5.009 4.556 -0.000 0.000 0.244 365 H C 0.047 175.382 175.328 0.013 0.000 1.199 365 H CA 0.151 56.215 56.048 0.026 0.000 0.956 365 H CB 0.784 30.569 29.762 0.039 0.000 2.305 365 H HN 0.475 nan 8.280 nan 0.000 0.665 366 S N -0.570 115.136 115.700 0.011 0.000 2.705 366 S HA 0.297 4.767 4.470 -0.000 0.000 0.280 366 S C 0.899 175.428 174.600 -0.117 0.000 1.174 366 S CA -0.694 57.484 58.200 -0.037 0.000 0.823 366 S CB 0.700 63.862 63.200 -0.063 0.000 1.162 366 S HN 0.223 nan 8.310 nan 0.000 0.487 367 I N -1.820 118.608 120.570 -0.237 0.000 2.876 367 I HA 0.179 4.349 4.170 -0.000 0.000 0.264 367 I C 1.604 177.557 176.117 -0.273 0.000 1.204 367 I CA 0.562 61.677 61.300 -0.309 0.000 1.485 367 I CB -0.477 37.253 38.000 -0.449 0.000 1.103 367 I HN 0.653 nan 8.210 nan 0.000 0.446 368 Y N 2.411 122.677 120.300 -0.055 0.000 2.457 368 Y HA 0.352 4.901 4.550 -0.000 0.000 0.292 368 Y C 1.675 177.681 175.900 0.176 0.000 1.125 368 Y CA 0.689 58.816 58.100 0.045 0.000 1.254 368 Y CB -0.061 38.412 38.460 0.021 0.000 1.012 368 Y HN 0.420 nan 8.280 nan 0.000 0.555 369 G N -2.371 106.624 108.800 0.326 0.000 2.441 369 G HA2 0.393 4.353 3.960 -0.000 0.000 0.225 369 G HA3 0.393 4.353 3.960 -0.000 0.000 0.225 369 G C 0.246 175.313 174.900 0.278 0.000 1.200 369 G CA -0.186 45.089 45.100 0.291 0.000 0.947 369 G HN 0.533 nan 8.290 nan 0.000 0.484 370 G N -0.827 108.061 108.800 0.147 0.000 2.574 370 G HA2 0.453 4.413 3.960 -0.000 0.000 0.301 370 G HA3 0.453 4.413 3.960 -0.000 0.000 0.301 370 G C 1.569 176.384 174.900 -0.142 0.000 1.166 370 G CA 1.851 46.987 45.100 0.060 0.000 0.971 370 G HN 3.033 nan 8.290 nan 0.000 0.542 371 G N -2.285 106.528 108.800 0.022 0.000 2.340 371 G HA2 0.605 4.565 3.960 -0.000 0.000 0.282 371 G HA3 0.605 4.565 3.960 -0.000 0.000 0.282 371 G C 0.390 175.387 174.900 0.162 0.000 1.312 371 G CA 0.686 45.756 45.100 -0.050 0.000 0.942 371 G HN 2.281 nan 8.290 nan 0.000 0.495 372 G N -0.438 108.445 108.800 0.139 0.000 2.599 372 G HA2 0.538 4.497 3.960 -0.000 0.000 0.264 372 G HA3 0.538 4.497 3.960 -0.000 0.000 0.264 372 G C -0.926 174.210 174.900 0.394 0.000 1.200 372 G CA -0.225 45.021 45.100 0.244 0.000 0.896 372 G HN 0.452 nan 8.290 nan 0.000 0.536 373 P HA -0.079 nan 4.420 nan 0.000 0.216 373 P C 1.962 179.512 177.300 0.416 0.000 1.150 373 P CA 1.658 65.102 63.100 0.573 0.000 0.837 373 P CB 0.129 32.082 31.700 0.422 0.000 0.786 374 G N 0.036 108.990 108.800 0.256 0.000 2.509 374 G HA2 -0.173 3.787 3.960 -0.000 0.000 0.218 374 G HA3 -0.173 3.787 3.960 -0.000 0.000 0.218 374 G C 1.205 176.166 174.900 0.101 0.000 1.124 374 G CA 0.531 45.731 45.100 0.165 0.000 0.776 374 G HN 0.396 nan 8.290 nan 0.000 0.547 375 I N -3.380 117.211 120.570 0.036 0.000 3.728 375 I HA 0.438 4.608 4.170 -0.000 0.000 0.307 375 I C 0.392 176.405 176.117 -0.174 0.000 1.276 375 I CA -0.870 60.367 61.300 -0.105 0.000 1.285 375 I CB -0.173 37.694 38.000 -0.222 0.000 1.038 375 I HN -0.151 nan 8.210 nan 0.000 0.445 376 F N 1.900 121.784 119.950 -0.111 0.000 2.368 376 F HA 0.559 5.085 4.527 -0.000 0.000 0.308 376 F C 0.753 176.458 175.800 -0.158 0.000 1.198 376 F CA 0.101 57.908 58.000 -0.323 0.000 1.130 376 F CB 0.355 39.014 39.000 -0.569 0.000 1.300 376 F HN 0.230 nan 8.300 nan 0.000 0.537 377 H N -3.086 116.061 119.070 0.128 0.000 2.887 377 H HA 0.391 4.946 4.556 -0.000 0.000 0.290 377 H C 0.482 175.839 175.328 0.049 0.000 1.429 377 H CA -0.812 55.262 56.048 0.043 0.000 1.137 377 H CB 0.422 30.184 29.762 0.001 0.000 1.824 377 H HN 0.514 nan 8.280 nan 0.000 0.520 378 G N -0.814 108.092 108.800 0.178 0.000 2.586 378 G HA2 -0.244 3.716 3.960 -0.000 0.000 0.215 378 G HA3 -0.244 3.716 3.960 -0.000 0.000 0.215 378 G C 0.751 175.795 174.900 0.239 0.000 1.128 378 G CA 1.170 46.335 45.100 0.109 0.000 0.774 378 G HN 0.691 nan 8.290 nan 0.000 0.543 379 N N -1.151 117.791 118.700 0.404 0.000 2.184 379 N HA 0.004 4.744 4.740 -0.000 0.000 0.206 379 N C 0.262 175.865 175.510 0.155 0.000 1.151 379 N CA -0.419 52.874 53.050 0.405 0.000 0.878 379 N CB 0.043 38.760 38.487 0.384 0.000 1.014 379 N HN 0.156 nan 8.380 nan 0.000 0.512 380 H N 0.851 119.785 119.070 -0.226 0.000 2.803 380 H HA 0.016 4.572 4.556 -0.000 0.000 0.330 380 H C 1.235 176.439 175.328 -0.206 0.000 1.057 380 H CA 0.185 56.019 56.048 -0.357 0.000 1.458 380 H CB 0.989 30.421 29.762 -0.549 0.000 1.470 380 H HN 0.196 nan 8.280 nan 0.000 0.560 381 I N 5.299 125.865 120.570 -0.007 0.000 2.530 381 I HA -0.233 3.937 4.170 -0.000 0.000 0.257 381 I C 1.627 177.774 176.117 0.051 0.000 1.179 381 I CA 0.985 62.250 61.300 -0.059 0.000 1.440 381 I CB 0.086 38.042 38.000 -0.073 0.000 1.087 381 I HN 0.429 nan 8.210 nan 0.000 0.440 382 V N 0.063 120.075 119.914 0.164 0.000 2.719 382 V HA -0.096 4.024 4.120 -0.000 0.000 0.252 382 V C 1.688 177.860 176.094 0.130 0.000 1.065 382 V CA 1.871 64.259 62.300 0.147 0.000 1.086 382 V CB -1.062 30.773 31.823 0.021 0.000 0.700 382 V HN 0.716 nan 8.190 nan 0.000 0.467 383 T N -2.040 112.505 114.554 -0.015 0.000 3.288 383 T HA 0.176 4.525 4.350 -0.000 0.000 0.293 383 T C 1.204 175.858 174.700 -0.076 0.000 1.008 383 T CA -0.258 61.789 62.100 -0.088 0.000 0.929 383 T CB -0.053 68.628 68.868 -0.312 0.000 1.152 383 T HN 0.586 nan 8.240 nan 0.000 0.517 384 R N -0.080 120.295 120.500 -0.208 0.000 2.300 384 R HA 0.232 4.571 4.340 -0.000 0.000 0.199 384 R C 1.475 177.688 176.300 -0.145 0.000 0.920 384 R CA 0.102 56.120 56.100 -0.137 0.000 1.046 384 R CB -0.563 29.640 30.300 -0.161 0.000 0.984 384 R HN 0.391 nan 8.270 nan 0.000 0.493 385 H N 0.436 119.553 119.070 0.077 0.000 2.372 385 H HA 0.077 4.632 4.556 -0.000 0.000 0.301 385 H C 0.452 175.825 175.328 0.075 0.000 1.065 385 H CA 0.811 56.906 56.048 0.077 0.000 1.364 385 H CB -0.031 29.771 29.762 0.067 0.000 1.406 385 H HN 0.117 nan 8.280 nan 0.000 0.521 386 S N 1.162 116.968 115.700 0.176 0.000 2.548 386 S HA 0.096 4.565 4.470 -0.000 0.000 0.277 386 S C 0.504 175.148 174.600 0.073 0.000 1.315 386 S CA -0.547 57.736 58.200 0.138 0.000 1.050 386 S CB 0.538 63.823 63.200 0.142 0.000 0.918 386 S HN 0.060 nan 8.310 nan 0.000 0.497 387 K N 3.144 123.591 120.400 0.080 0.000 3.006 387 K HA 0.377 4.697 4.320 -0.000 0.000 0.262 387 K C 0.960 177.406 176.600 -0.258 0.000 1.289 387 K CA 0.511 56.788 56.287 -0.016 0.000 1.245 387 K CB -0.233 32.341 32.500 0.124 0.000 1.614 387 K HN 0.880 nan 8.250 nan 0.000 0.322 388 G N -0.396 108.248 108.800 -0.259 0.000 2.184 388 G HA2 -0.249 3.710 3.960 -0.000 0.000 0.206 388 G HA3 -0.249 3.710 3.960 -0.000 0.000 0.206 388 G C 0.527 175.199 174.900 -0.381 0.000 0.995 388 G CA -0.363 44.514 45.100 -0.371 0.000 0.651 388 G HN 0.441 nan 8.290 nan 0.000 0.511 389 F N 0.629 120.584 119.950 0.007 0.000 2.695 389 F HA 0.574 5.100 4.527 -0.000 0.000 0.303 389 F C 2.177 177.972 175.800 -0.007 0.000 1.091 389 F CA 0.740 58.734 58.000 -0.010 0.000 1.300 389 F CB 0.701 39.667 39.000 -0.057 0.000 1.071 389 F HN 0.318 nan 8.300 nan 0.000 0.578 390 A N -0.267 122.629 122.820 0.126 0.000 2.026 390 A HA 0.168 4.488 4.320 -0.000 0.000 0.201 390 A C 1.918 179.524 177.584 0.037 0.000 1.318 390 A CA 0.220 52.307 52.037 0.084 0.000 0.857 390 A CB -0.158 18.884 19.000 0.069 0.000 0.939 390 A HN 0.098 nan 8.150 nan 0.000 0.476 391 I N 0.828 121.402 120.570 0.007 0.000 2.315 391 I HA -0.092 4.077 4.170 -0.000 0.000 0.248 391 I C -0.776 175.360 176.117 0.032 0.000 1.117 391 I CA 1.159 62.456 61.300 -0.005 0.000 1.404 391 I CB -2.071 35.924 38.000 -0.008 0.000 1.071 391 I HN 0.133 nan 8.210 nan 0.000 0.419 392 P HA -0.050 nan 4.420 nan 0.000 0.217 392 P C -1.263 176.074 177.300 0.062 0.000 1.150 392 P CA 1.446 64.585 63.100 0.065 0.000 0.832 392 P CB -1.097 30.653 31.700 0.084 0.000 0.787 393 P HA -0.131 nan 4.420 nan 0.000 0.215 393 P C 1.603 178.949 177.300 0.077 0.000 1.157 393 P CA 1.290 64.420 63.100 0.049 0.000 0.874 393 P CB -0.613 31.113 31.700 0.042 0.000 0.790 394 V N -0.077 119.893 119.914 0.093 0.000 2.594 394 V HA -0.206 3.914 4.120 -0.000 0.000 0.253 394 V C 2.477 178.638 176.094 0.111 0.000 1.069 394 V CA 2.013 64.390 62.300 0.128 0.000 1.082 394 V CB -1.787 30.077 31.823 0.069 0.000 0.680 394 V HN 0.108 nan 8.190 nan 0.000 0.469 395 A N -0.143 122.728 122.820 0.085 0.000 1.970 395 A HA 0.158 4.478 4.320 -0.000 0.000 0.216 395 A C 2.399 180.031 177.584 0.079 0.000 1.170 395 A CA 1.415 53.502 52.037 0.084 0.000 0.645 395 A CB -0.463 18.583 19.000 0.077 0.000 0.816 395 A HN 0.513 nan 8.150 nan 0.000 0.447 396 A N 0.249 123.111 122.820 0.071 0.000 1.873 396 A HA 0.177 4.497 4.320 -0.000 0.000 0.215 396 A C 2.508 180.131 177.584 0.064 0.000 1.186 396 A CA 1.993 54.066 52.037 0.060 0.000 0.616 396 A CB -1.077 17.948 19.000 0.043 0.000 0.823 396 A HN 0.980 nan 8.150 nan 0.000 0.442 397 A N -1.127 121.738 122.820 0.075 0.000 1.883 397 A HA -0.151 4.169 4.320 -0.000 0.000 0.217 397 A C 2.118 179.754 177.584 0.086 0.000 1.186 397 A CA 2.115 54.200 52.037 0.080 0.000 0.624 397 A CB -0.485 18.575 19.000 0.101 0.000 0.822 397 A HN 0.395 nan 8.150 nan 0.000 0.444 398 M N -0.507 119.154 119.600 0.101 0.000 2.460 398 M HA 0.008 4.488 4.480 -0.000 0.000 0.263 398 M C 2.202 178.550 176.300 0.080 0.000 1.071 398 M CA 1.083 56.442 55.300 0.100 0.000 1.096 398 M CB -1.250 31.419 32.600 0.115 0.000 1.408 398 M HN 0.514 nan 8.290 nan 0.000 0.463 399 A N -0.804 122.060 122.820 0.073 0.000 1.975 399 A HA 0.056 4.376 4.320 -0.000 0.000 0.215 399 A C 1.962 179.579 177.584 0.056 0.000 1.170 399 A CA 0.518 52.593 52.037 0.064 0.000 0.656 399 A CB -0.447 18.592 19.000 0.065 0.000 0.821 399 A HN 0.446 nan 8.150 nan 0.000 0.449 400 L N 0.143 121.398 121.223 0.054 0.000 2.627 400 L HA 0.066 4.406 4.340 -0.000 0.000 0.233 400 L C 0.028 176.925 176.870 0.044 0.000 1.144 400 L CA -0.077 54.790 54.840 0.046 0.000 0.892 400 L CB -0.384 41.700 42.059 0.042 0.000 1.039 400 L HN 0.262 nan 8.230 nan 0.000 0.442 401 D N -0.069 120.361 120.400 0.049 0.000 2.317 401 D HA 0.247 4.887 4.640 -0.000 0.000 0.252 401 D C 0.954 177.276 176.300 0.037 0.000 1.174 401 D CA 0.076 54.103 54.000 0.045 0.000 0.866 401 D CB 1.556 42.388 40.800 0.054 0.000 1.127 401 D HN 0.117 nan 8.370 nan 0.000 0.467 402 A N 3.264 126.102 122.820 0.031 0.000 2.238 402 A HA 0.417 4.736 4.320 -0.000 0.000 0.208 402 A C 1.283 178.878 177.584 0.019 0.000 1.177 402 A CA 0.455 52.507 52.037 0.024 0.000 0.804 402 A CB -0.151 18.862 19.000 0.021 0.000 0.823 402 A HN 0.829 nan 8.150 nan 0.000 0.482 403 G N -1.055 107.757 108.800 0.020 0.000 2.414 403 G HA2 -0.012 3.948 3.960 -0.000 0.000 0.191 403 G HA3 -0.012 3.948 3.960 -0.000 0.000 0.191 403 G C 0.366 175.271 174.900 0.009 0.000 1.082 403 G CA 0.539 45.646 45.100 0.012 0.000 0.785 403 G HN 0.910 nan 8.290 nan 0.000 0.484 404 T N -3.151 111.413 114.554 0.017 0.000 3.040 404 T HA 0.334 4.684 4.350 -0.000 0.000 0.250 404 T C 0.621 175.331 174.700 0.016 0.000 1.058 404 T CA 0.189 62.299 62.100 0.016 0.000 0.988 404 T CB 0.568 69.451 68.868 0.026 0.000 0.993 404 T HN 0.244 nan 8.240 nan 0.000 0.519 405 Q N 0.742 120.554 119.800 0.020 0.000 2.241 405 Q HA 0.455 4.795 4.340 -0.000 0.000 0.254 405 Q C 0.611 176.596 176.000 -0.025 0.000 0.917 405 Q CA -0.362 55.459 55.803 0.029 0.000 0.919 405 Q CB 1.988 30.766 28.738 0.067 0.000 1.237 405 Q HN 0.260 nan 8.270 nan 0.000 0.434 406 M N 2.176 121.739 119.600 -0.061 0.000 2.098 406 M HA 0.026 4.506 4.480 -0.000 0.000 0.262 406 M C -0.055 175.991 176.300 -0.423 0.000 1.072 406 M CA 1.696 56.840 55.300 -0.261 0.000 1.133 406 M CB 0.185 32.585 32.600 -0.333 0.000 1.344 406 M HN 0.473 nan 8.290 nan 0.000 0.414 407 F N 1.628 121.584 119.950 0.010 0.000 2.573 407 F HA 0.318 4.845 4.527 -0.000 0.000 0.349 407 F C 0.710 176.522 175.800 0.020 0.000 1.213 407 F CA -0.643 57.362 58.000 0.008 0.000 1.300 407 F CB -0.701 38.299 39.000 -0.001 0.000 1.661 407 F HN 0.113 nan 8.300 nan 0.000 0.616 408 S N 0.538 116.280 115.700 0.070 0.000 2.713 408 S HA 0.397 4.867 4.470 -0.000 0.000 0.277 408 S C -1.910 172.736 174.600 0.077 0.000 1.168 408 S CA -1.383 56.858 58.200 0.067 0.000 0.994 408 S CB 1.155 64.368 63.200 0.022 0.000 1.054 408 S HN 0.105 nan 8.310 nan 0.000 0.555 409 P HA 0.011 nan 4.420 nan 0.000 0.225 409 P C 0.499 177.827 177.300 0.046 0.000 1.148 409 P CA 0.970 64.113 63.100 0.071 0.000 0.779 409 P CB -0.047 31.691 31.700 0.064 0.000 0.780 410 E N -1.612 118.603 120.200 0.025 0.000 2.385 410 E HA -0.012 4.338 4.350 -0.000 0.000 0.194 410 E C 1.612 178.209 176.600 -0.004 0.000 1.013 410 E CA 0.384 56.784 56.400 0.001 0.000 0.866 410 E CB -0.268 29.425 29.700 -0.011 0.000 0.832 410 E HN 0.080 nan 8.360 nan 0.000 0.500 411 V N -0.056 119.865 119.914 0.012 0.000 2.788 411 V HA -0.088 4.032 4.120 -0.000 0.000 0.241 411 V C 2.259 178.395 176.094 0.069 0.000 1.083 411 V CA 1.761 64.070 62.300 0.014 0.000 1.103 411 V CB -0.028 31.774 31.823 -0.034 0.000 0.800 411 V HN 0.423 nan 8.190 nan 0.000 0.476 412 T N -3.781 110.839 114.554 0.109 0.000 3.031 412 T HA 0.022 4.372 4.350 -0.000 0.000 0.254 412 T C 1.429 176.216 174.700 0.145 0.000 1.060 412 T CA 1.125 63.304 62.100 0.130 0.000 1.135 412 T CB 0.228 69.175 68.868 0.132 0.000 0.896 412 T HN 0.247 nan 8.240 nan 0.000 0.472 413 S N 0.910 116.684 115.700 0.123 0.000 2.751 413 S HA 0.292 4.762 4.470 -0.000 0.000 0.247 413 S C 1.306 175.897 174.600 -0.015 0.000 1.103 413 S CA -0.664 57.602 58.200 0.109 0.000 1.090 413 S CB -0.161 63.182 63.200 0.238 0.000 0.928 413 S HN 0.674 nan 8.310 nan 0.000 0.502 414 K N 0.353 120.741 120.400 -0.020 0.000 1.984 414 K HA 0.009 4.329 4.320 -0.000 0.000 0.209 414 K C 1.732 178.287 176.600 -0.076 0.000 1.046 414 K CA 0.983 57.240 56.287 -0.050 0.000 0.934 414 K CB -0.519 31.950 32.500 -0.052 0.000 0.717 414 K HN 0.274 nan 8.250 nan 0.000 0.438 415 L N 1.485 122.665 121.223 -0.072 0.000 1.990 415 L HA -0.186 4.153 4.340 -0.000 0.000 0.213 415 L C 2.429 179.295 176.870 -0.006 0.000 1.072 415 L CA 1.493 56.303 54.840 -0.050 0.000 0.755 415 L CB -0.379 41.660 42.059 -0.035 0.000 0.889 415 L HN 0.287 nan 8.230 nan 0.000 0.432 416 I N -0.702 119.795 120.570 -0.123 0.000 2.163 416 I HA -0.241 3.929 4.170 -0.000 0.000 0.243 416 I C 2.558 178.661 176.117 -0.023 0.000 1.085 416 I CA 1.709 62.883 61.300 -0.209 0.000 1.347 416 I CB -2.207 35.364 38.000 -0.715 0.000 1.044 416 I HN 0.378 nan 8.210 nan 0.000 0.408 417 G N 0.465 109.232 108.800 -0.055 0.000 2.432 417 G HA2 -0.220 3.739 3.960 -0.000 0.000 0.219 417 G HA3 -0.220 3.739 3.960 -0.000 0.000 0.219 417 G C 1.290 176.218 174.900 0.048 0.000 1.135 417 G CA 0.733 45.834 45.100 0.002 0.000 0.767 417 G HN 0.322 nan 8.290 nan 0.000 0.550 418 D N -0.298 120.114 120.400 0.021 0.000 2.162 418 D HA 0.008 4.648 4.640 -0.000 0.000 0.205 418 D C 2.719 179.151 176.300 0.220 0.000 0.964 418 D CA 0.536 54.552 54.000 0.027 0.000 0.847 418 D CB 0.032 40.667 40.800 -0.275 0.000 0.988 418 D HN 0.249 nan 8.370 nan 0.000 0.480 419 V N -0.045 119.975 119.914 0.178 0.000 2.581 419 V HA -0.035 4.084 4.120 -0.000 0.000 0.240 419 V C 1.896 177.984 176.094 -0.011 0.000 1.054 419 V CA 0.645 63.011 62.300 0.111 0.000 1.076 419 V CB -0.445 31.396 31.823 0.029 0.000 0.748 419 V HN -0.002 nan 8.190 nan 0.000 0.474 420 F N 1.975 121.877 119.950 -0.080 0.000 2.234 420 F HA 0.045 4.572 4.527 -0.000 0.000 0.299 420 F C 2.425 178.207 175.800 -0.030 0.000 1.087 420 F CA 1.319 59.223 58.000 -0.159 0.000 1.340 420 F CB -1.234 37.513 39.000 -0.421 0.000 1.031 420 F HN 0.206 nan 8.300 nan 0.000 0.500 421 G N -0.265 108.640 108.800 0.175 0.000 2.462 421 G HA2 -0.212 3.747 3.960 -0.000 0.000 0.220 421 G HA3 -0.212 3.747 3.960 -0.000 0.000 0.220 421 G C 1.603 176.583 174.900 0.133 0.000 1.121 421 G CA 0.737 45.924 45.100 0.145 0.000 0.758 421 G HN 0.221 nan 8.290 nan 0.000 0.559 422 E N 0.180 120.447 120.200 0.111 0.000 2.274 422 E HA 0.039 4.389 4.350 -0.000 0.000 0.194 422 E C 1.195 177.839 176.600 0.073 0.000 0.996 422 E CA 0.076 56.520 56.400 0.074 0.000 0.840 422 E CB 0.041 29.760 29.700 0.031 0.000 0.772 422 E HN 0.464 nan 8.360 nan 0.000 0.491 423 I N 1.630 122.267 120.570 0.111 0.000 2.474 423 I HA -0.006 4.164 4.170 -0.000 0.000 0.287 423 I C 0.939 177.140 176.117 0.139 0.000 1.048 423 I CA -0.181 61.199 61.300 0.134 0.000 1.383 423 I CB 0.803 38.967 38.000 0.274 0.000 1.412 423 I HN -0.225 nan 8.210 nan 0.000 0.531 424 D N 2.788 123.217 120.400 0.048 0.000 2.120 424 D HA -0.150 4.490 4.640 -0.000 0.000 0.202 424 D C 1.845 178.117 176.300 -0.046 0.000 0.972 424 D CA 1.077 55.116 54.000 0.065 0.000 0.837 424 D CB 0.189 41.071 40.800 0.138 0.000 0.989 424 D HN 0.584 nan 8.370 nan 0.000 0.469 425 E N 0.182 120.134 120.200 -0.414 0.000 2.274 425 E HA -0.146 4.204 4.350 -0.000 0.000 0.194 425 E C 1.568 177.999 176.600 -0.282 0.000 0.996 425 E CA 0.571 56.568 56.400 -0.671 0.000 0.840 425 E CB -0.452 28.685 29.700 -0.938 0.000 0.772 425 E HN 0.327 nan 8.360 nan 0.000 0.491 426 F N 1.697 121.609 119.950 -0.064 0.000 2.128 426 F HA 0.077 4.604 4.527 -0.000 0.000 0.295 426 F C 2.722 178.558 175.800 0.060 0.000 1.100 426 F CA 0.853 58.873 58.000 0.035 0.000 1.260 426 F CB -0.399 38.664 39.000 0.106 0.000 1.009 426 F HN -0.044 nan 8.300 nan 0.000 0.476 427 R N 0.159 120.817 120.500 0.265 0.000 2.115 427 R HA -0.047 4.293 4.340 -0.000 0.000 0.226 427 R C 0.061 176.460 176.300 0.165 0.000 1.100 427 R CA 1.251 57.467 56.100 0.193 0.000 0.980 427 R CB 0.018 30.416 30.300 0.164 0.000 0.875 427 R HN 0.232 nan 8.270 nan 0.000 0.445 428 E N -0.770 119.536 120.200 0.176 0.000 4.139 428 E HA 0.131 4.481 4.350 -0.000 0.000 0.227 428 E C -2.168 174.584 176.600 0.253 0.000 1.187 428 E CA -1.260 55.256 56.400 0.193 0.000 1.324 428 E CB 1.694 31.514 29.700 0.201 0.000 1.207 428 E HN 0.235 nan 8.360 nan 0.000 0.422 429 P HA -0.126 nan 4.420 nan 0.000 0.233 429 P C 1.327 178.747 177.300 0.200 0.000 1.167 429 P CA 0.703 63.911 63.100 0.179 0.000 0.770 429 P CB 0.331 32.097 31.700 0.110 0.000 0.837 430 M N 0.379 120.068 119.600 0.148 0.000 2.059 430 M HA -0.166 4.314 4.480 -0.000 0.000 0.259 430 M C 2.512 178.848 176.300 0.059 0.000 1.072 430 M CA 2.093 57.444 55.300 0.085 0.000 1.117 430 M CB -0.626 32.004 32.600 0.051 0.000 1.320 430 M HN -0.133 nan 8.290 nan 0.000 0.408 431 K N -0.196 120.221 120.400 0.027 0.000 2.074 431 K HA -0.239 4.081 4.320 -0.000 0.000 0.209 431 K C 1.606 178.131 176.600 -0.124 0.000 1.048 431 K CA 1.942 58.171 56.287 -0.097 0.000 0.926 431 K CB -0.316 32.060 32.500 -0.207 0.000 0.713 431 K HN 0.325 nan 8.250 nan 0.000 0.444 432 Y N 0.661 120.954 120.300 -0.011 0.000 2.220 432 Y HA -0.062 4.488 4.550 -0.000 0.000 0.291 432 Y C 2.203 178.096 175.900 -0.012 0.000 1.129 432 Y CA 1.147 59.237 58.100 -0.016 0.000 1.161 432 Y CB -0.057 38.389 38.460 -0.024 0.000 0.997 432 Y HN -0.015 nan 8.280 nan 0.000 0.522 433 I N -0.443 120.223 120.570 0.160 0.000 2.252 433 I HA -0.269 3.901 4.170 -0.000 0.000 0.245 433 I C 2.513 178.661 176.117 0.052 0.000 1.102 433 I CA 1.834 63.194 61.300 0.100 0.000 1.385 433 I CB -0.590 37.475 38.000 0.109 0.000 1.064 433 I HN 0.321 nan 8.210 nan 0.000 0.414 434 T N -2.054 112.513 114.554 0.022 0.000 2.821 434 T HA -0.159 4.191 4.350 -0.000 0.000 0.267 434 T C 1.713 176.399 174.700 -0.022 0.000 1.046 434 T CA 1.180 63.273 62.100 -0.012 0.000 1.139 434 T CB -0.359 68.488 68.868 -0.036 0.000 0.871 434 T HN 0.299 nan 8.240 nan 0.000 0.454 435 E N 1.408 121.589 120.200 -0.032 0.000 2.051 435 E HA 0.008 4.358 4.350 -0.000 0.000 0.192 435 E C 2.574 179.166 176.600 -0.013 0.000 0.991 435 E CA 1.144 57.519 56.400 -0.041 0.000 0.799 435 E CB -0.475 29.179 29.700 -0.076 0.000 0.748 435 E HN 0.650 nan 8.360 nan 0.000 0.449 436 A N 0.888 123.716 122.820 0.014 0.000 1.940 436 A HA -0.182 4.138 4.320 -0.000 0.000 0.219 436 A C 2.313 179.905 177.584 0.013 0.000 1.176 436 A CA 1.866 53.916 52.037 0.022 0.000 0.631 436 A CB -0.695 18.330 19.000 0.042 0.000 0.814 436 A HN 0.344 nan 8.150 nan 0.000 0.446 437 A N -0.474 122.354 122.820 0.014 0.000 1.968 437 A HA 0.276 4.596 4.320 -0.000 0.000 0.217 437 A C 2.431 180.017 177.584 0.003 0.000 1.169 437 A CA 1.730 53.775 52.037 0.013 0.000 0.638 437 A CB -0.803 18.208 19.000 0.017 0.000 0.812 437 A HN 0.935 nan 8.150 nan 0.000 0.446 438 A N -0.224 122.590 122.820 -0.009 0.000 1.841 438 A HA -0.165 4.155 4.320 -0.000 0.000 0.214 438 A C 1.988 179.565 177.584 -0.011 0.000 1.195 438 A CA 1.665 53.692 52.037 -0.016 0.000 0.611 438 A CB -0.624 18.358 19.000 -0.030 0.000 0.835 438 A HN 0.564 nan 8.150 nan 0.000 0.443 439 E N -0.830 119.364 120.200 -0.010 0.000 2.110 439 E HA -0.225 4.125 4.350 -0.000 0.000 0.193 439 E C 1.938 178.537 176.600 -0.002 0.000 0.988 439 E CA 1.263 57.659 56.400 -0.007 0.000 0.804 439 E CB -0.056 29.640 29.700 -0.006 0.000 0.745 439 E HN 0.576 nan 8.360 nan 0.000 0.458 440 E N -0.193 120.008 120.200 0.002 0.000 2.265 440 E HA -0.095 4.255 4.350 -0.000 0.000 0.196 440 E C 0.847 177.452 176.600 0.007 0.000 0.996 440 E CA 0.867 57.270 56.400 0.005 0.000 0.832 440 E CB 0.046 29.750 29.700 0.007 0.000 0.756 440 E HN 0.236 nan 8.360 nan 0.000 0.491 441 A N 0.162 122.986 122.820 0.007 0.000 2.476 441 A HA 0.178 4.498 4.320 -0.000 0.000 0.263 441 A C 0.039 177.627 177.584 0.006 0.000 1.342 441 A CA 0.007 52.050 52.037 0.009 0.000 0.926 441 A CB -0.117 18.888 19.000 0.010 0.000 1.019 441 A HN -0.017 nan 8.150 nan 0.000 0.515 442 K N 0.000 120.403 120.400 0.004 0.000 2.780 442 K HA 0.000 4.320 4.320 -0.000 0.000 0.191 442 K CA 0.000 56.289 56.287 0.003 0.000 0.838 442 K CB 0.000 32.499 32.500 -0.001 0.000 1.064 442 K HN 0.000 nan 8.250 nan 0.000 0.543