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 2jis_1_B DATA FIRST_RESID 7 DATA SEQUENCE LPSLAGDPVA VEALLRAVFG VVVDEAIQKG TSVSQKVCEW KEPEELKQLL DATA SEQUENCE DLELRSQGES QKQILERCRA VIRYSVKTGH PRFFNQLFSG LDPHALAGRI DATA SEQUENCE ITESLNTSQY TYEIAPVFVL MEEEVLRKLR ALVGWSSGDG IFCPGGSISN DATA SEQUENCE MYAVNLARYQ RYPDCKQRGL RTLPPLALFT SKECHYSIQK GAAFLGLGTD DATA SEQUENCE SVRVVKADER GKMVPEDLER QIGMAEAEGA VPFLVSATSG TTVLGAFDPL DATA SEQUENCE EAIADVCQRH GLWLHVDAAW GGSVLLSQTH RHLLDGIQRA DSVAWNPHKL DATA SEQUENCE LAAGLQCSAL LLQDTSNLLK RCHGSQASYL FQQDKFYDVA LDTGDKVVQC DATA SEQUENCE GRRVDCLKLW LMWKAQGDQG LERRIDQAFV LARYLVEEMK KREGFELVME DATA SEQUENCE PEFVNVCFWF VPPSLRGKQE SPDYHERLSK VAPVLKERMV KEGSMMIGYQ DATA SEQUENCE PHGTRGNFFR VVVANSALTC ADMDFLLNEL ERLGQDL 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 L HA 0.000 nan 4.340 nan 0.000 0.249 7 L C 0.000 176.868 176.870 -0.004 0.000 1.165 7 L CA 0.000 54.838 54.840 -0.004 0.000 0.813 7 L CB 0.000 42.057 42.059 -0.004 0.000 0.961 8 P HA 0.300 nan 4.420 nan 0.000 0.279 8 P C -0.280 177.018 177.300 -0.004 0.000 1.252 8 P CA -0.407 62.691 63.100 -0.004 0.000 0.811 8 P CB 1.631 33.328 31.700 -0.004 0.000 1.035 9 S N 0.594 116.292 115.700 -0.005 0.000 2.552 9 S HA 0.047 4.517 4.470 -0.000 0.000 0.289 9 S C 0.747 175.344 174.600 -0.005 0.000 1.304 9 S CA -0.435 57.762 58.200 -0.005 0.000 1.063 9 S CB -0.353 62.844 63.200 -0.005 0.000 0.848 9 S HN 0.411 nan 8.310 nan 0.000 0.499 10 L N 4.203 125.423 121.223 -0.005 0.000 2.818 10 L HA 0.294 4.634 4.340 -0.000 0.000 0.243 10 L C 1.955 178.822 176.870 -0.006 0.000 1.185 10 L CA 0.084 54.921 54.840 -0.005 0.000 0.988 10 L CB -0.485 41.570 42.059 -0.006 0.000 1.292 10 L HN 0.854 nan 8.230 nan 0.000 0.519 11 A N 0.103 122.919 122.820 -0.006 0.000 2.021 11 A HA 0.485 4.804 4.320 -0.000 0.000 0.216 11 A C 1.166 178.746 177.584 -0.006 0.000 1.163 11 A CA 0.852 52.885 52.037 -0.006 0.000 0.676 11 A CB 0.019 19.015 19.000 -0.007 0.000 0.818 11 A HN 0.433 nan 8.150 nan 0.000 0.453 12 G N -0.843 107.954 108.800 -0.005 0.000 2.379 12 G HA2 0.226 4.186 3.960 -0.000 0.000 0.609 12 G HA3 0.226 4.186 3.960 -0.000 0.000 0.609 12 G C -1.293 173.604 174.900 -0.004 0.000 1.484 12 G CA -0.310 44.788 45.100 -0.005 0.000 0.921 12 G HN 0.279 nan 8.290 nan 0.000 0.658 13 D N 1.692 122.090 120.400 -0.004 0.000 2.412 13 D HA 0.416 5.056 4.640 -0.000 0.000 0.257 13 D C -0.592 175.706 176.300 -0.004 0.000 1.217 13 D CA -1.049 52.949 54.000 -0.003 0.000 0.897 13 D CB 1.237 42.036 40.800 -0.003 0.000 1.132 13 D HN 0.084 nan 8.370 nan 0.000 0.493 14 P HA -0.069 nan 4.420 nan 0.000 0.233 14 P C 1.211 178.508 177.300 -0.004 0.000 1.167 14 P CA 0.146 63.243 63.100 -0.005 0.000 0.770 14 P CB 0.317 32.013 31.700 -0.006 0.000 0.837 15 V N 0.355 120.267 119.914 -0.003 0.000 2.453 15 V HA -0.186 3.934 4.120 -0.000 0.000 0.247 15 V C 2.477 178.571 176.094 -0.001 0.000 1.048 15 V CA 2.120 64.418 62.300 -0.002 0.000 1.049 15 V CB -1.482 30.340 31.823 -0.002 0.000 0.672 15 V HN 0.117 nan 8.190 nan 0.000 0.457 16 A N -0.420 122.400 122.820 -0.001 0.000 1.969 16 A HA -0.113 4.207 4.320 -0.000 0.000 0.218 16 A C 2.372 179.956 177.584 0.000 0.000 1.169 16 A CA 1.735 53.772 52.037 -0.000 0.000 0.635 16 A CB -0.492 18.508 19.000 -0.001 0.000 0.810 16 A HN 0.321 nan 8.150 nan 0.000 0.445 17 V N 0.205 120.118 119.914 -0.002 0.000 2.261 17 V HA -0.226 3.894 4.120 -0.000 0.000 0.246 17 V C 2.690 178.783 176.094 -0.002 0.000 1.047 17 V CA 2.194 64.492 62.300 -0.003 0.000 1.015 17 V CB -0.599 31.220 31.823 -0.006 0.000 0.642 17 V HN 0.674 nan 8.190 nan 0.000 0.446 18 E N 0.526 120.724 120.200 -0.004 0.000 2.085 18 E HA -0.244 4.106 4.350 -0.000 0.000 0.194 18 E C 2.228 178.831 176.600 0.004 0.000 0.994 18 E CA 1.806 58.203 56.400 -0.004 0.000 0.801 18 E CB -0.198 29.499 29.700 -0.005 0.000 0.743 18 E HN 0.514 nan 8.360 nan 0.000 0.453 19 A N 1.268 124.091 122.820 0.005 0.000 1.877 19 A HA -0.163 4.157 4.320 -0.000 0.000 0.216 19 A C 2.283 179.876 177.584 0.014 0.000 1.186 19 A CA 1.467 53.510 52.037 0.009 0.000 0.620 19 A CB -0.759 18.244 19.000 0.006 0.000 0.822 19 A HN 0.344 nan 8.150 nan 0.000 0.443 20 L N -0.111 121.119 121.223 0.012 0.000 1.989 20 L HA -0.147 4.193 4.340 -0.000 0.000 0.211 20 L C 2.312 179.198 176.870 0.027 0.000 1.071 20 L CA 1.950 56.800 54.840 0.015 0.000 0.749 20 L CB -0.504 41.561 42.059 0.010 0.000 0.890 20 L HN 0.404 nan 8.230 nan 0.000 0.431 21 L N -0.886 120.351 121.223 0.024 0.000 2.093 21 L HA -0.157 4.183 4.340 -0.000 0.000 0.208 21 L C 2.785 179.698 176.870 0.070 0.000 1.085 21 L CA 1.333 56.194 54.840 0.036 0.000 0.755 21 L CB -0.571 41.491 42.059 0.004 0.000 0.904 21 L HN 0.336 nan 8.230 nan 0.000 0.435 22 R N 0.545 121.077 120.500 0.053 0.000 2.083 22 R HA -0.197 4.143 4.340 -0.000 0.000 0.237 22 R C 2.348 178.704 176.300 0.093 0.000 1.137 22 R CA 1.610 57.757 56.100 0.079 0.000 0.951 22 R CB -0.240 30.088 30.300 0.046 0.000 0.851 22 R HN 0.329 nan 8.270 nan 0.000 0.434 23 A N 0.180 123.034 122.820 0.057 0.000 1.877 23 A HA -0.100 4.220 4.320 -0.000 0.000 0.216 23 A C 2.286 179.896 177.584 0.044 0.000 1.186 23 A CA 1.615 53.676 52.037 0.040 0.000 0.620 23 A CB -0.608 18.406 19.000 0.022 0.000 0.822 23 A HN 0.234 nan 8.150 nan 0.000 0.443 24 V N -1.367 118.583 119.914 0.060 0.000 2.295 24 V HA -0.238 3.882 4.120 -0.000 0.000 0.246 24 V C 2.291 178.438 176.094 0.089 0.000 1.049 24 V CA 2.169 64.505 62.300 0.060 0.000 1.024 24 V CB -0.907 30.955 31.823 0.066 0.000 0.648 24 V HN 0.595 nan 8.190 nan 0.000 0.447 25 F N 1.824 121.763 119.950 -0.017 0.000 2.171 25 F HA -0.014 4.512 4.527 -0.000 0.000 0.300 25 F C 2.177 177.965 175.800 -0.020 0.000 1.090 25 F CA 1.262 59.251 58.000 -0.018 0.000 1.293 25 F CB -0.881 38.110 39.000 -0.015 0.000 1.013 25 F HN 0.145 nan 8.300 nan 0.000 0.486 26 G N -0.229 108.572 108.800 0.001 0.000 2.446 26 G HA2 -0.241 3.719 3.960 -0.000 0.000 0.217 26 G HA3 -0.241 3.719 3.960 -0.000 0.000 0.217 26 G C 1.806 176.626 174.900 -0.133 0.000 1.168 26 G CA 1.288 46.342 45.100 -0.078 0.000 0.771 26 G HN 0.312 nan 8.290 nan 0.000 0.551 27 V N 0.380 120.236 119.914 -0.096 0.000 2.358 27 V HA -0.156 3.964 4.120 -0.000 0.000 0.246 27 V C 3.026 179.032 176.094 -0.147 0.000 1.047 27 V CA 1.396 63.636 62.300 -0.099 0.000 1.035 27 V CB -0.296 31.490 31.823 -0.061 0.000 0.658 27 V HN 0.250 nan 8.190 nan 0.000 0.452 28 V N -0.245 119.553 119.914 -0.193 0.000 2.295 28 V HA -0.239 3.881 4.120 -0.000 0.000 0.246 28 V C 2.430 178.333 176.094 -0.319 0.000 1.049 28 V CA 2.049 64.205 62.300 -0.241 0.000 1.024 28 V CB -0.468 31.203 31.823 -0.254 0.000 0.648 28 V HN 0.401 nan 8.190 nan 0.000 0.447 29 V N 0.323 119.952 119.914 -0.476 0.000 2.255 29 V HA -0.275 3.845 4.120 -0.000 0.000 0.247 29 V C 2.292 178.255 176.094 -0.218 0.000 1.051 29 V CA 2.361 64.427 62.300 -0.390 0.000 1.018 29 V CB -0.738 30.831 31.823 -0.423 0.000 0.641 29 V HN 0.568 nan 8.190 nan 0.000 0.445 30 D N -0.470 119.823 120.400 -0.178 0.000 2.097 30 D HA -0.109 4.531 4.640 -0.000 0.000 0.197 30 D C 2.249 178.483 176.300 -0.109 0.000 0.984 30 D CA 1.207 55.135 54.000 -0.121 0.000 0.826 30 D CB -0.102 40.640 40.800 -0.097 0.000 0.973 30 D HN 0.463 nan 8.370 nan 0.000 0.460 31 E N -0.059 120.071 120.200 -0.116 0.000 2.201 31 E HA 0.187 4.537 4.350 -0.000 0.000 0.193 31 E C 1.841 178.382 176.600 -0.099 0.000 0.957 31 E CA 0.400 56.739 56.400 -0.101 0.000 0.858 31 E CB 0.050 29.689 29.700 -0.101 0.000 0.816 31 E HN 0.162 nan 8.360 nan 0.000 0.475 32 A N 1.001 123.754 122.820 -0.112 0.000 1.901 32 A HA 0.138 4.457 4.320 -0.000 0.000 0.210 32 A C 2.214 179.740 177.584 -0.097 0.000 1.208 32 A CA 0.338 52.316 52.037 -0.098 0.000 0.644 32 A CB -0.347 18.594 19.000 -0.098 0.000 0.863 32 A HN 0.066 nan 8.150 nan 0.000 0.454 33 I N -0.655 119.843 120.570 -0.121 0.000 2.333 33 I HA -0.195 3.975 4.170 -0.000 0.000 0.246 33 I C 2.744 178.802 176.117 -0.099 0.000 1.106 33 I CA 1.094 62.328 61.300 -0.111 0.000 1.411 33 I CB -0.259 37.657 38.000 -0.140 0.000 1.082 33 I HN 0.404 nan 8.210 nan 0.000 0.420 34 Q N 0.698 120.436 119.800 -0.104 0.000 2.042 34 Q HA -0.058 4.282 4.340 -0.000 0.000 0.194 34 Q C 2.194 178.146 176.000 -0.081 0.000 0.978 34 Q CA 0.847 56.596 55.803 -0.090 0.000 0.828 34 Q CB -0.015 28.670 28.738 -0.087 0.000 0.901 34 Q HN 0.281 nan 8.270 nan 0.000 0.461 35 K N 0.445 120.801 120.400 -0.073 0.000 2.147 35 K HA -0.086 4.234 4.320 -0.000 0.000 0.205 35 K C 1.925 178.505 176.600 -0.033 0.000 1.049 35 K CA 1.141 57.395 56.287 -0.054 0.000 0.936 35 K CB -0.244 32.224 32.500 -0.054 0.000 0.722 35 K HN 0.271 nan 8.250 nan 0.000 0.446 36 G N 0.525 109.299 108.800 -0.042 0.000 2.679 36 G HA2 -0.168 3.792 3.960 -0.000 0.000 0.212 36 G HA3 -0.168 3.792 3.960 -0.000 0.000 0.212 36 G C 1.139 176.031 174.900 -0.015 0.000 1.137 36 G CA 1.237 46.329 45.100 -0.014 0.000 0.787 36 G HN 0.423 nan 8.290 nan 0.000 0.534 37 T N -3.306 111.195 114.554 -0.089 0.000 3.145 37 T HA 0.417 4.767 4.350 -0.000 0.000 0.281 37 T C 0.592 175.119 174.700 -0.289 0.000 1.003 37 T CA 0.106 62.100 62.100 -0.178 0.000 0.901 37 T CB 0.620 69.413 68.868 -0.126 0.000 1.112 37 T HN 0.064 nan 8.240 nan 0.000 0.535 38 S N 1.633 117.186 115.700 -0.245 0.000 2.457 38 S HA 0.400 4.870 4.470 -0.000 0.000 0.289 38 S C 1.514 175.931 174.600 -0.305 0.000 1.163 38 S CA -0.422 57.646 58.200 -0.222 0.000 1.078 38 S CB 1.120 64.256 63.200 -0.106 0.000 0.987 38 S HN 0.496 nan 8.310 nan 0.000 0.482 39 V N 3.439 123.174 119.914 -0.298 0.000 3.078 39 V HA 0.008 4.128 4.120 -0.000 0.000 0.265 39 V C 1.772 177.826 176.094 -0.066 0.000 1.122 39 V CA 1.726 63.887 62.300 -0.231 0.000 1.141 39 V CB -1.195 30.495 31.823 -0.221 0.000 0.735 39 V HN 0.903 nan 8.190 nan 0.000 0.498 40 S N -1.375 114.298 115.700 -0.046 0.000 2.558 40 S HA 0.154 4.624 4.470 -0.000 0.000 0.217 40 S C 0.907 175.526 174.600 0.030 0.000 0.975 40 S CA -0.220 57.976 58.200 -0.006 0.000 0.912 40 S CB -0.241 62.949 63.200 -0.017 0.000 0.776 40 S HN 0.692 nan 8.310 nan 0.000 0.526 41 Q N 1.137 120.982 119.800 0.074 0.000 2.306 41 Q HA 0.480 4.819 4.340 -0.000 0.000 0.269 41 Q C -0.762 175.317 176.000 0.131 0.000 1.053 41 Q CA -0.595 55.259 55.803 0.085 0.000 0.879 41 Q CB 1.173 29.947 28.738 0.061 0.000 1.344 41 Q HN 0.299 nan 8.270 nan 0.000 0.464 42 K N 0.284 120.703 120.400 0.032 0.000 2.237 42 K HA 0.145 4.465 4.320 -0.000 0.000 0.270 42 K C 1.097 177.574 176.600 -0.204 0.000 1.015 42 K CA -0.246 56.009 56.287 -0.054 0.000 0.949 42 K CB 0.845 33.339 32.500 -0.011 0.000 0.976 42 K HN 0.228 nan 8.250 nan 0.000 0.472 43 V N 1.113 120.779 119.914 -0.414 0.000 2.667 43 V HA -0.149 3.971 4.120 -0.000 0.000 0.252 43 V C 0.774 176.788 176.094 -0.133 0.000 1.065 43 V CA 0.909 62.932 62.300 -0.461 0.000 1.083 43 V CB -0.763 30.827 31.823 -0.389 0.000 0.692 43 V HN 0.985 nan 8.190 nan 0.000 0.468 44 C N -1.672 117.604 119.300 -0.041 0.000 3.284 44 C HA 0.663 5.123 4.460 -0.000 0.000 0.338 44 C C -0.591 174.458 174.990 0.098 0.000 1.237 44 C CA -1.183 57.867 59.018 0.054 0.000 1.276 44 C CB 1.383 29.201 27.740 0.128 0.000 1.601 44 C HN 0.396 nan 8.230 nan 0.000 0.494 45 E N 2.131 122.411 120.200 0.132 0.000 2.376 45 E HA 0.196 4.546 4.350 -0.000 0.000 0.236 45 E C -0.433 176.301 176.600 0.224 0.000 0.962 45 E CA -0.393 56.111 56.400 0.174 0.000 0.768 45 E CB 0.585 30.375 29.700 0.148 0.000 1.236 45 E HN 0.791 nan 8.360 nan 0.000 0.431 46 W N 5.812 127.157 121.300 0.075 0.000 2.295 46 W HA 0.058 4.718 4.660 -0.000 0.000 0.335 46 W C -0.974 175.571 176.519 0.044 0.000 1.351 46 W CA 0.210 57.589 57.345 0.057 0.000 1.273 46 W CB 0.688 30.174 29.460 0.043 0.000 1.214 46 W HN 0.290 nan 8.180 nan 0.000 0.563 47 K N 4.870 124.646 120.400 -1.040 0.000 2.468 47 K HA 0.171 4.491 4.320 -0.000 0.000 0.252 47 K C -0.190 175.683 176.600 -1.213 0.000 0.932 47 K CA -0.865 54.894 56.287 -0.880 0.000 0.794 47 K CB 1.826 33.998 32.500 -0.546 0.000 1.241 47 K HN 0.473 nan 8.250 nan 0.000 0.428 48 E N 2.422 122.231 120.200 -0.652 0.000 2.413 48 E HA 0.009 4.359 4.350 -0.000 0.000 0.263 48 E C -1.639 174.764 176.600 -0.327 0.000 1.015 48 E CA -1.532 54.664 56.400 -0.340 0.000 0.916 48 E CB 0.274 29.937 29.700 -0.063 0.000 0.947 48 E HN 0.203 nan 8.360 nan 0.000 0.440 49 P HA -0.210 nan 4.420 nan 0.000 0.217 49 P C 0.968 178.182 177.300 -0.144 0.000 1.158 49 P CA 1.409 64.405 63.100 -0.173 0.000 0.887 49 P CB 0.338 31.989 31.700 -0.083 0.000 0.792 50 E N -0.592 119.545 120.200 -0.104 0.000 2.150 50 E HA -0.198 4.152 4.350 -0.000 0.000 0.193 50 E C 2.035 178.568 176.600 -0.112 0.000 0.985 50 E CA 0.923 57.270 56.400 -0.087 0.000 0.814 50 E CB -0.505 29.163 29.700 -0.053 0.000 0.752 50 E HN 0.489 nan 8.360 nan 0.000 0.466 51 E N 0.380 120.495 120.200 -0.143 0.000 2.072 51 E HA -0.163 4.187 4.350 -0.000 0.000 0.191 51 E C 2.098 178.560 176.600 -0.230 0.000 0.985 51 E CA 0.479 56.779 56.400 -0.168 0.000 0.801 51 E CB 0.015 29.610 29.700 -0.176 0.000 0.750 51 E HN 0.053 nan 8.360 nan 0.000 0.452 52 L N 1.583 122.635 121.223 -0.284 0.000 2.083 52 L HA -0.148 4.192 4.340 -0.000 0.000 0.209 52 L C 1.981 178.716 176.870 -0.224 0.000 1.083 52 L CA 1.764 56.405 54.840 -0.332 0.000 0.752 52 L CB -0.297 41.556 42.059 -0.342 0.000 0.899 52 L HN -0.007 nan 8.230 nan 0.000 0.433 53 K N -0.877 119.426 120.400 -0.162 0.000 2.044 53 K HA -0.249 4.071 4.320 -0.000 0.000 0.210 53 K C 2.076 178.615 176.600 -0.101 0.000 1.049 53 K CA 2.086 58.307 56.287 -0.111 0.000 0.927 53 K CB -0.246 32.203 32.500 -0.084 0.000 0.713 53 K HN 0.513 nan 8.250 nan 0.000 0.443 54 Q N 0.572 120.308 119.800 -0.108 0.000 2.096 54 Q HA -0.133 4.206 4.340 -0.000 0.000 0.204 54 Q C 2.196 178.139 176.000 -0.094 0.000 0.982 54 Q CA 1.262 57.013 55.803 -0.088 0.000 0.850 54 Q CB -0.146 28.543 28.738 -0.082 0.000 0.901 54 Q HN 0.301 nan 8.270 nan 0.000 0.422 55 L N 0.025 121.161 121.223 -0.146 0.000 2.201 55 L HA -0.161 4.179 4.340 -0.000 0.000 0.212 55 L C 1.978 178.799 176.870 -0.083 0.000 1.105 55 L CA 0.786 55.538 54.840 -0.146 0.000 0.775 55 L CB -0.108 41.749 42.059 -0.336 0.000 0.913 55 L HN 0.240 nan 8.230 nan 0.000 0.440 56 L N -1.338 119.831 121.223 -0.088 0.000 2.463 56 L HA 0.051 4.391 4.340 -0.000 0.000 0.219 56 L C 0.344 177.197 176.870 -0.029 0.000 1.088 56 L CA -0.130 54.685 54.840 -0.042 0.000 0.849 56 L CB -0.132 41.896 42.059 -0.050 0.000 1.012 56 L HN 0.177 nan 8.230 nan 0.000 0.468 57 D N 0.706 121.084 120.400 -0.037 0.000 2.890 57 D HA -0.223 4.417 4.640 -0.000 0.000 0.226 57 D C 0.742 177.030 176.300 -0.021 0.000 1.207 57 D CA 0.411 54.395 54.000 -0.027 0.000 0.764 57 D CB -0.771 40.018 40.800 -0.018 0.000 0.948 57 D HN 0.213 nan 8.370 nan 0.000 0.404 58 L N 0.360 121.568 121.223 -0.025 0.000 2.240 58 L HA 0.051 4.390 4.340 -0.000 0.000 0.211 58 L C 1.153 178.013 176.870 -0.017 0.000 1.106 58 L CA 0.364 55.192 54.840 -0.021 0.000 0.793 58 L CB -0.122 41.922 42.059 -0.026 0.000 0.927 58 L HN 0.183 nan 8.230 nan 0.000 0.446 59 E N 1.120 121.310 120.200 -0.017 0.000 2.465 59 E HA 0.100 4.450 4.350 -0.000 0.000 0.260 59 E C -0.495 176.098 176.600 -0.012 0.000 0.980 59 E CA 0.295 56.686 56.400 -0.014 0.000 0.927 59 E CB 0.390 30.081 29.700 -0.014 0.000 0.934 59 E HN 0.129 nan 8.360 nan 0.000 0.459 60 L N 4.781 125.998 121.223 -0.011 0.000 2.331 60 L HA 0.445 4.785 4.340 -0.000 0.000 0.278 60 L C 0.756 177.621 176.870 -0.009 0.000 1.106 60 L CA -0.148 54.686 54.840 -0.009 0.000 0.824 60 L CB 0.359 42.413 42.059 -0.009 0.000 1.142 60 L HN 0.588 nan 8.230 nan 0.000 0.443 61 R N 0.720 121.215 120.500 -0.008 0.000 2.810 61 R HA 0.400 4.740 4.340 -0.000 0.000 0.266 61 R C 0.301 176.597 176.300 -0.007 0.000 1.061 61 R CA -0.659 55.437 56.100 -0.007 0.000 0.943 61 R CB 1.132 31.427 30.300 -0.007 0.000 1.237 61 R HN 0.334 nan 8.270 nan 0.000 0.459 62 S N -0.634 115.063 115.700 -0.006 0.000 2.355 62 S HA -0.081 4.389 4.470 -0.000 0.000 0.222 62 S C 0.235 174.832 174.600 -0.005 0.000 1.031 62 S CA 1.087 59.283 58.200 -0.006 0.000 0.993 62 S CB -0.096 63.101 63.200 -0.005 0.000 0.859 62 S HN 0.516 nan 8.310 nan 0.000 0.453 63 Q N 0.603 120.400 119.800 -0.005 0.000 2.235 63 Q HA 0.517 4.857 4.340 -0.000 0.000 0.250 63 Q C 0.488 176.486 176.000 -0.005 0.000 0.909 63 Q CA -0.308 55.492 55.803 -0.005 0.000 0.910 63 Q CB 1.359 30.094 28.738 -0.004 0.000 1.223 63 Q HN 0.496 nan 8.270 nan 0.000 0.432 64 G N 1.485 110.282 108.800 -0.004 0.000 2.553 64 G HA2 0.239 4.199 3.960 -0.000 0.000 0.278 64 G HA3 0.239 4.199 3.960 -0.000 0.000 0.278 64 G C -0.480 174.418 174.900 -0.003 0.000 1.349 64 G CA -0.251 44.846 45.100 -0.004 0.000 1.037 64 G HN 0.587 nan 8.290 nan 0.000 0.508 65 E N -1.469 118.729 120.200 -0.003 0.000 2.392 65 E HA 0.432 4.782 4.350 -0.000 0.000 0.269 65 E C -0.331 176.268 176.600 -0.002 0.000 0.924 65 E CA -0.700 55.699 56.400 -0.002 0.000 0.784 65 E CB 2.113 31.812 29.700 -0.002 0.000 1.292 65 E HN 0.573 nan 8.360 nan 0.000 0.447 66 S N -0.068 115.631 115.700 -0.001 0.000 2.645 66 S HA 0.021 4.491 4.470 -0.000 0.000 0.266 66 S C 1.080 175.680 174.600 0.000 0.000 1.258 66 S CA -0.369 57.831 58.200 -0.001 0.000 0.990 66 S CB 1.634 64.834 63.200 -0.001 0.000 0.967 66 S HN 0.740 nan 8.310 nan 0.000 0.556 67 Q N 0.627 120.428 119.800 0.001 0.000 2.096 67 Q HA -0.234 4.106 4.340 -0.000 0.000 0.204 67 Q C 1.971 177.972 176.000 0.002 0.000 0.982 67 Q CA 2.001 57.805 55.803 0.002 0.000 0.850 67 Q CB -0.270 28.469 28.738 0.002 0.000 0.901 67 Q HN 0.807 nan 8.270 nan 0.000 0.422 68 K N 0.304 120.704 120.400 0.001 0.000 2.032 68 K HA -0.205 4.115 4.320 -0.000 0.000 0.209 68 K C 1.997 178.597 176.600 0.000 0.000 1.048 68 K CA 2.043 58.330 56.287 0.000 0.000 0.927 68 K CB -0.078 32.422 32.500 -0.000 0.000 0.712 68 K HN 0.308 nan 8.250 nan 0.000 0.441 69 Q N -0.229 119.571 119.800 0.001 0.000 2.084 69 Q HA -0.116 4.223 4.340 -0.000 0.000 0.202 69 Q C 1.987 177.988 176.000 0.002 0.000 0.978 69 Q CA 1.348 57.152 55.803 0.001 0.000 0.844 69 Q CB -0.100 28.638 28.738 0.000 0.000 0.898 69 Q HN 0.301 nan 8.270 nan 0.000 0.426 70 I N 0.678 121.249 120.570 0.001 0.000 2.226 70 I HA -0.250 3.920 4.170 -0.000 0.000 0.245 70 I C 2.216 178.334 176.117 0.002 0.000 1.100 70 I CA 1.423 62.724 61.300 0.002 0.000 1.374 70 I CB -0.925 37.076 38.000 0.002 0.000 1.057 70 I HN 0.283 nan 8.210 nan 0.000 0.413 71 L N 0.216 121.439 121.223 0.001 0.000 2.083 71 L HA -0.195 4.145 4.340 -0.000 0.000 0.209 71 L C 2.443 179.311 176.870 -0.004 0.000 1.083 71 L CA 1.201 56.040 54.840 -0.002 0.000 0.752 71 L CB -0.550 41.508 42.059 -0.002 0.000 0.899 71 L HN 0.254 nan 8.230 nan 0.000 0.433 72 E N -0.062 120.137 120.200 -0.001 0.000 2.118 72 E HA -0.221 4.129 4.350 -0.000 0.000 0.195 72 E C 2.354 178.958 176.600 0.007 0.000 0.992 72 E CA 1.047 57.447 56.400 0.001 0.000 0.804 72 E CB -0.034 29.669 29.700 0.005 0.000 0.741 72 E HN 0.415 nan 8.360 nan 0.000 0.458 73 R N 0.074 120.578 120.500 0.008 0.000 2.075 73 R HA -0.088 4.252 4.340 -0.000 0.000 0.232 73 R C 2.533 178.838 176.300 0.008 0.000 1.126 73 R CA 1.265 57.373 56.100 0.013 0.000 0.963 73 R CB -0.507 29.799 30.300 0.008 0.000 0.858 73 R HN 0.261 nan 8.270 nan 0.000 0.435 74 C N 0.395 119.694 119.300 -0.001 0.000 2.413 74 C HA -0.094 4.366 4.460 -0.000 0.000 0.276 74 C C 2.613 177.590 174.990 -0.022 0.000 1.248 74 C CA 0.736 59.749 59.018 -0.009 0.000 1.742 74 C CB -0.883 26.851 27.740 -0.009 0.000 2.017 74 C HN 0.469 nan 8.230 nan 0.000 0.481 75 R N 0.995 121.479 120.500 -0.027 0.000 2.091 75 R HA -0.122 4.218 4.340 -0.000 0.000 0.238 75 R C 2.410 178.668 176.300 -0.070 0.000 1.136 75 R CA 1.688 57.757 56.100 -0.052 0.000 0.959 75 R CB -0.530 29.742 30.300 -0.047 0.000 0.856 75 R HN 0.574 nan 8.270 nan 0.000 0.437 76 A N 0.680 123.490 122.820 -0.016 0.000 1.898 76 A HA -0.101 4.219 4.320 -0.000 0.000 0.216 76 A C 2.376 180.004 177.584 0.073 0.000 1.181 76 A CA 1.277 53.343 52.037 0.047 0.000 0.620 76 A CB -0.545 18.546 19.000 0.151 0.000 0.819 76 A HN 0.113 nan 8.150 nan 0.000 0.442 77 V N 0.204 120.144 119.914 0.044 0.000 2.332 77 V HA -0.295 3.825 4.120 -0.000 0.000 0.248 77 V C 2.420 178.512 176.094 -0.003 0.000 1.055 77 V CA 2.228 64.549 62.300 0.036 0.000 1.038 77 V CB -0.647 31.184 31.823 0.013 0.000 0.651 77 V HN 0.579 nan 8.190 nan 0.000 0.450 78 I N -0.567 119.974 120.570 -0.048 0.000 2.286 78 I HA -0.200 3.970 4.170 -0.000 0.000 0.245 78 I C 2.705 178.746 176.117 -0.126 0.000 1.104 78 I CA 1.558 62.812 61.300 -0.076 0.000 1.397 78 I CB -0.432 37.519 38.000 -0.082 0.000 1.072 78 I HN 0.205 nan 8.210 nan 0.000 0.417 79 R N 0.704 121.071 120.500 -0.222 0.000 2.083 79 R HA -0.223 4.117 4.340 -0.000 0.000 0.237 79 R C 1.871 177.921 176.300 -0.416 0.000 1.137 79 R CA 2.039 57.895 56.100 -0.407 0.000 0.951 79 R CB -0.246 29.640 30.300 -0.691 0.000 0.851 79 R HN 0.293 nan 8.270 nan 0.000 0.434 80 Y N 0.035 120.311 120.300 -0.040 0.000 2.466 80 Y HA 0.310 4.860 4.550 -0.000 0.000 0.272 80 Y C 0.597 176.470 175.900 -0.045 0.000 1.169 80 Y CA -0.211 57.860 58.100 -0.048 0.000 1.285 80 Y CB 0.437 38.857 38.460 -0.067 0.000 1.078 80 Y HN -0.076 nan 8.280 nan 0.000 0.523 81 S N 0.028 115.755 115.700 0.045 0.000 2.601 81 S HA 0.306 4.776 4.470 -0.000 0.000 0.271 81 S C 0.102 174.696 174.600 -0.009 0.000 1.305 81 S CA -0.683 57.526 58.200 0.016 0.000 1.022 81 S CB 1.226 64.418 63.200 -0.012 0.000 0.940 81 S HN -0.102 nan 8.310 nan 0.000 0.525 82 V N 3.793 123.697 119.914 -0.015 0.000 2.637 82 V HA 0.099 4.219 4.120 -0.000 0.000 0.296 82 V C 0.333 176.331 176.094 -0.161 0.000 1.046 82 V CA -0.025 62.239 62.300 -0.059 0.000 1.066 82 V CB 0.415 32.219 31.823 -0.031 0.000 0.968 82 V HN 0.617 nan 8.190 nan 0.000 0.483 83 K N 3.726 124.019 120.400 -0.179 0.000 2.184 83 K HA 0.176 4.496 4.320 -0.000 0.000 0.259 83 K C 1.275 177.665 176.600 -0.349 0.000 1.119 83 K CA 0.066 56.250 56.287 -0.172 0.000 0.991 83 K CB 0.377 32.852 32.500 -0.043 0.000 1.522 83 K HN 0.932 nan 8.250 nan 0.000 0.405 84 T N -2.226 112.016 114.554 -0.519 0.000 3.072 84 T HA -0.059 4.291 4.350 -0.000 0.000 0.266 84 T C 1.642 176.186 174.700 -0.260 0.000 1.127 84 T CA 0.980 62.571 62.100 -0.848 0.000 1.107 84 T CB 0.111 68.672 68.868 -0.510 0.000 0.910 84 T HN 0.432 nan 8.240 nan 0.000 0.513 85 G N -0.147 108.585 108.800 -0.114 0.000 2.880 85 G HA2 0.025 3.985 3.960 -0.000 0.000 0.209 85 G HA3 0.025 3.985 3.960 -0.000 0.000 0.209 85 G C 0.484 175.378 174.900 -0.010 0.000 1.157 85 G CA -0.392 44.693 45.100 -0.025 0.000 0.779 85 G HN 0.615 nan 8.290 nan 0.000 0.539 86 H N 1.287 120.296 119.070 -0.103 0.000 2.848 86 H HA 0.106 4.661 4.556 -0.000 0.000 0.341 86 H C -1.511 173.743 175.328 -0.123 0.000 1.060 86 H CA -1.291 54.699 56.048 -0.097 0.000 1.444 86 H CB 2.080 31.790 29.762 -0.087 0.000 1.446 86 H HN -0.047 nan 8.280 nan 0.000 0.583 87 P HA -0.062 nan 4.420 nan 0.000 0.225 87 P C 0.572 177.707 177.300 -0.275 0.000 1.148 87 P CA 1.109 64.099 63.100 -0.183 0.000 0.779 87 P CB 0.270 31.849 31.700 -0.201 0.000 0.780 88 R N -1.899 118.609 120.500 0.014 0.000 2.466 88 R HA 0.232 4.572 4.340 -0.000 0.000 0.279 88 R C -0.108 175.963 176.300 -0.382 0.000 0.976 88 R CA -0.346 55.604 56.100 -0.251 0.000 1.081 88 R CB -0.934 29.410 30.300 0.074 0.000 1.215 88 R HN 0.104 nan 8.270 nan 0.000 0.546 89 F N 0.504 120.146 119.950 -0.514 0.000 2.375 89 F HA 0.246 4.773 4.527 -0.000 0.000 0.362 89 F C -0.334 175.157 175.800 -0.515 0.000 1.129 89 F CA -0.941 56.835 58.000 -0.374 0.000 1.154 89 F CB 0.271 39.146 39.000 -0.209 0.000 1.205 89 F HN -0.015 nan 8.300 nan 0.000 0.513 90 F N 3.960 123.612 119.950 -0.497 0.000 2.735 90 F HA 0.218 4.745 4.527 -0.000 0.000 0.308 90 F C 1.621 177.067 175.800 -0.590 0.000 1.112 90 F CA -0.208 57.541 58.000 -0.419 0.000 1.235 90 F CB -0.390 38.497 39.000 -0.187 0.000 1.027 90 F HN 0.501 nan 8.300 nan 0.000 0.528 91 N N -0.130 118.012 118.700 -0.929 0.000 2.416 91 N HA -0.025 4.715 4.740 -0.000 0.000 0.177 91 N C 0.520 175.698 175.510 -0.554 0.000 1.036 91 N CA 0.798 53.441 53.050 -0.677 0.000 0.901 91 N CB 0.437 38.481 38.487 -0.737 0.000 0.976 91 N HN 0.259 nan 8.380 nan 0.000 0.444 92 Q N -0.456 118.935 119.800 -0.682 0.000 2.892 92 Q HA 0.305 4.645 4.340 -0.000 0.000 0.307 92 Q C 0.497 176.196 176.000 -0.501 0.000 1.039 92 Q CA -0.607 54.865 55.803 -0.552 0.000 0.792 92 Q CB 0.788 29.037 28.738 -0.815 0.000 1.504 92 Q HN 0.034 nan 8.270 nan 0.000 0.487 93 L N 0.853 121.813 121.223 -0.438 0.000 2.629 93 L HA 0.237 4.577 4.340 -0.000 0.000 0.230 93 L C -0.022 176.805 176.870 -0.071 0.000 1.151 93 L CA 0.155 54.657 54.840 -0.563 0.000 0.924 93 L CB -0.254 41.281 42.059 -0.874 0.000 1.137 93 L HN 0.358 nan 8.230 nan 0.000 0.457 94 F N -2.603 117.363 119.950 0.027 0.000 2.563 94 F HA 0.803 5.330 4.527 -0.000 0.000 0.316 94 F C -0.347 175.584 175.800 0.218 0.000 1.076 94 F CA -1.065 57.032 58.000 0.162 0.000 0.921 94 F CB 1.641 40.766 39.000 0.208 0.000 1.209 94 F HN -0.283 nan 8.300 nan 0.000 0.462 95 S N 1.659 117.543 115.700 0.306 0.000 2.542 95 S HA 0.742 5.212 4.470 -0.000 0.000 0.276 95 S C -0.666 174.058 174.600 0.206 0.000 1.148 95 S CA 0.181 58.539 58.200 0.263 0.000 0.886 95 S CB 1.088 64.377 63.200 0.149 0.000 1.109 95 S HN 2.401 nan 8.310 nan 0.000 0.458 96 G N 1.285 110.175 108.800 0.150 0.000 2.570 96 G HA2 0.222 4.182 3.960 -0.000 0.000 0.686 96 G HA3 0.222 4.182 3.960 -0.000 0.000 0.686 96 G C -1.775 173.172 174.900 0.078 0.000 1.257 96 G CA -0.357 44.795 45.100 0.086 0.000 0.846 96 G HN 1.544 nan 8.290 nan 0.000 0.627 97 L N 1.558 122.802 121.223 0.036 0.000 2.462 97 L HA 0.495 4.835 4.340 -0.000 0.000 0.255 97 L C 0.071 176.952 176.870 0.019 0.000 1.076 97 L CA -0.827 54.027 54.840 0.023 0.000 0.920 97 L CB 1.155 43.208 42.059 -0.010 0.000 1.214 97 L HN 0.720 nan 8.230 nan 0.000 0.472 98 D N 5.587 126.013 120.400 0.044 0.000 2.383 98 D HA 0.132 4.772 4.640 -0.000 0.000 0.252 98 D C -1.743 174.570 176.300 0.022 0.000 1.166 98 D CA -1.140 52.889 54.000 0.049 0.000 0.879 98 D CB 1.971 42.822 40.800 0.085 0.000 1.164 98 D HN 0.368 nan 8.370 nan 0.000 0.462 99 P HA -0.123 nan 4.420 nan 0.000 0.222 99 P C 1.059 178.260 177.300 -0.165 0.000 1.153 99 P CA 0.964 63.988 63.100 -0.127 0.000 0.798 99 P CB 0.323 31.891 31.700 -0.221 0.000 0.796 100 H N 0.179 119.273 119.070 0.040 0.000 2.363 100 H HA 0.121 4.677 4.556 -0.000 0.000 0.301 100 H C 2.126 177.492 175.328 0.064 0.000 1.074 100 H CA 1.422 57.499 56.048 0.048 0.000 1.354 100 H CB -0.702 29.081 29.762 0.035 0.000 1.397 100 H HN 0.094 nan 8.280 nan 0.000 0.516 101 A N 1.559 124.482 122.820 0.171 0.000 1.908 101 A HA -0.154 4.166 4.320 -0.000 0.000 0.218 101 A C 2.497 180.131 177.584 0.083 0.000 1.181 101 A CA 1.430 53.541 52.037 0.123 0.000 0.627 101 A CB -0.787 18.276 19.000 0.105 0.000 0.818 101 A HN 0.280 nan 8.150 nan 0.000 0.445 102 L N -0.226 121.032 121.223 0.058 0.000 2.046 102 L HA -0.064 4.276 4.340 -0.000 0.000 0.208 102 L C 2.670 179.574 176.870 0.058 0.000 1.077 102 L CA 2.213 57.080 54.840 0.044 0.000 0.747 102 L CB -0.892 41.184 42.059 0.029 0.000 0.896 102 L HN 0.352 nan 8.230 nan 0.000 0.432 103 A N -0.409 122.447 122.820 0.061 0.000 1.883 103 A HA -0.140 4.180 4.320 -0.000 0.000 0.217 103 A C 2.362 179.996 177.584 0.083 0.000 1.186 103 A CA 1.808 53.888 52.037 0.071 0.000 0.624 103 A CB -1.677 17.369 19.000 0.075 0.000 0.822 103 A HN 0.543 nan 8.150 nan 0.000 0.444 104 G N -0.722 108.143 108.800 0.108 0.000 2.418 104 G HA2 -0.227 3.732 3.960 -0.000 0.000 0.217 104 G HA3 -0.227 3.732 3.960 -0.000 0.000 0.217 104 G C 1.754 176.682 174.900 0.046 0.000 1.158 104 G CA 0.935 46.102 45.100 0.112 0.000 0.771 104 G HN 0.592 nan 8.290 nan 0.000 0.545 105 R N -0.115 120.403 120.500 0.030 0.000 2.081 105 R HA 0.032 4.372 4.340 -0.000 0.000 0.235 105 R C 2.571 178.866 176.300 -0.007 0.000 1.131 105 R CA 1.223 57.319 56.100 -0.006 0.000 0.960 105 R CB -0.417 29.881 30.300 -0.003 0.000 0.856 105 R HN 0.375 nan 8.270 nan 0.000 0.436 106 I N 0.587 121.167 120.570 0.017 0.000 2.226 106 I HA -0.284 3.886 4.170 -0.000 0.000 0.245 106 I C 2.243 178.356 176.117 -0.006 0.000 1.100 106 I CA 1.365 62.672 61.300 0.011 0.000 1.374 106 I CB -0.241 37.776 38.000 0.028 0.000 1.057 106 I HN 0.127 nan 8.210 nan 0.000 0.413 107 I N 0.274 120.850 120.570 0.011 0.000 2.163 107 I HA -0.302 3.868 4.170 -0.000 0.000 0.243 107 I C 2.554 178.674 176.117 0.007 0.000 1.085 107 I CA 1.632 62.947 61.300 0.025 0.000 1.347 107 I CB -0.675 37.369 38.000 0.074 0.000 1.044 107 I HN 0.229 nan 8.210 nan 0.000 0.408 108 T N 0.235 114.764 114.554 -0.041 0.000 2.684 108 T HA -0.180 4.170 4.350 -0.000 0.000 0.267 108 T C 1.806 176.447 174.700 -0.098 0.000 1.036 108 T CA 1.357 63.374 62.100 -0.139 0.000 1.148 108 T CB -0.220 68.526 68.868 -0.203 0.000 0.863 108 T HN 0.305 nan 8.240 nan 0.000 0.436 109 E N 1.144 121.306 120.200 -0.064 0.000 2.150 109 E HA -0.010 4.339 4.350 -0.000 0.000 0.193 109 E C 2.520 179.100 176.600 -0.035 0.000 0.985 109 E CA 0.722 57.092 56.400 -0.050 0.000 0.814 109 E CB -0.378 29.301 29.700 -0.035 0.000 0.752 109 E HN 0.401 nan 8.360 nan 0.000 0.466 110 S N 0.643 116.328 115.700 -0.025 0.000 2.428 110 S HA 0.042 4.512 4.470 -0.000 0.000 0.230 110 S C 1.994 176.590 174.600 -0.007 0.000 1.014 110 S CA 0.397 58.586 58.200 -0.019 0.000 0.957 110 S CB 0.046 63.232 63.200 -0.024 0.000 0.784 110 S HN 0.176 nan 8.310 nan 0.000 0.499 111 L N 1.193 122.420 121.223 0.006 0.000 2.446 111 L HA 0.167 4.507 4.340 -0.000 0.000 0.219 111 L C 0.448 177.327 176.870 0.016 0.000 1.116 111 L CA -0.106 54.755 54.840 0.035 0.000 0.844 111 L CB -0.621 41.508 42.059 0.118 0.000 0.970 111 L HN 0.235 nan 8.230 nan 0.000 0.457 112 N N 1.147 119.835 118.700 -0.020 0.000 2.726 112 N HA -0.204 4.535 4.740 -0.000 0.000 0.287 112 N C -0.213 175.286 175.510 -0.019 0.000 1.052 112 N CA 0.809 53.839 53.050 -0.032 0.000 0.805 112 N CB -0.358 38.114 38.487 -0.026 0.000 0.944 112 N HN 0.247 nan 8.380 nan 0.000 0.574 113 T N -0.241 114.299 114.554 -0.023 0.000 2.888 113 T HA 0.652 5.002 4.350 -0.000 0.000 0.288 113 T C -0.726 173.963 174.700 -0.017 0.000 1.063 113 T CA -0.360 61.742 62.100 0.003 0.000 1.010 113 T CB 1.399 70.306 68.868 0.066 0.000 1.214 113 T HN 0.263 nan 8.240 nan 0.000 0.533 114 S N 1.106 116.812 115.700 0.010 0.000 2.462 114 S HA 0.377 4.846 4.470 -0.000 0.000 0.294 114 S C -0.460 174.199 174.600 0.098 0.000 1.144 114 S CA -0.521 57.691 58.200 0.021 0.000 1.088 114 S CB 1.211 64.396 63.200 -0.025 0.000 1.009 114 S HN 0.657 nan 8.310 nan 0.000 0.484 115 Q N 3.947 123.803 119.800 0.092 0.000 2.664 115 Q HA 0.280 4.620 4.340 -0.000 0.000 0.223 115 Q C -0.820 175.309 176.000 0.215 0.000 1.298 115 Q CA 0.383 56.260 55.803 0.123 0.000 0.965 115 Q CB -0.155 28.619 28.738 0.061 0.000 1.510 115 Q HN 0.829 nan 8.270 nan 0.000 0.567 116 Y N 0.922 121.252 120.300 0.050 0.000 3.280 116 Y HA 0.304 4.854 4.550 -0.000 0.000 0.195 116 Y C -0.091 175.854 175.900 0.073 0.000 0.916 116 Y CA 0.794 58.928 58.100 0.056 0.000 1.655 116 Y CB 0.522 39.008 38.460 0.044 0.000 1.472 116 Y HN 0.397 nan 8.280 nan 0.000 0.384 117 T N -2.278 112.343 114.554 0.110 0.000 2.916 117 T HA 0.188 4.538 4.350 -0.000 0.000 0.292 117 T C 0.192 174.919 174.700 0.045 0.000 1.055 117 T CA -0.450 61.682 62.100 0.054 0.000 1.009 117 T CB 1.485 70.432 68.868 0.132 0.000 1.118 117 T HN 0.296 nan 8.240 nan 0.000 0.497 118 Y N 0.849 121.064 120.300 -0.142 0.000 2.256 118 Y HA -0.093 4.457 4.550 -0.000 0.000 0.288 118 Y C 2.379 178.030 175.900 -0.416 0.000 1.155 118 Y CA 2.090 59.984 58.100 -0.343 0.000 1.203 118 Y CB -0.064 38.057 38.460 -0.564 0.000 0.980 118 Y HN 0.937 nan 8.280 nan 0.000 0.530 119 E N 0.173 120.157 120.200 -0.360 0.000 2.110 119 E HA -0.193 4.157 4.350 -0.000 0.000 0.193 119 E C 1.808 178.322 176.600 -0.143 0.000 0.988 119 E CA 1.819 58.072 56.400 -0.243 0.000 0.804 119 E CB -0.274 29.433 29.700 0.011 0.000 0.745 119 E HN 0.753 nan 8.360 nan 0.000 0.458 120 I N -4.162 116.367 120.570 -0.069 0.000 4.057 120 I HA 0.405 4.575 4.170 -0.000 0.000 0.334 120 I C 0.679 176.767 176.117 -0.048 0.000 1.308 120 I CA -0.022 61.260 61.300 -0.030 0.000 1.125 120 I CB 1.197 39.225 38.000 0.046 0.000 1.034 120 I HN -0.018 nan 8.210 nan 0.000 0.401 121 A N 2.104 124.860 122.820 -0.107 0.000 3.415 121 A HA 0.498 4.818 4.320 -0.000 0.000 0.244 121 A C -1.938 175.476 177.584 -0.282 0.000 0.988 121 A CA -0.722 51.276 52.037 -0.064 0.000 0.991 121 A CB -0.229 18.848 19.000 0.128 0.000 1.240 121 A HN 0.094 nan 8.150 nan 0.000 0.541 122 P HA -0.137 nan 4.420 nan 0.000 0.215 122 P C 1.622 178.605 177.300 -0.528 0.000 1.157 122 P CA 1.387 63.892 63.100 -0.990 0.000 0.863 122 P CB 0.114 31.084 31.700 -1.216 0.000 0.787 123 V N -0.795 118.761 119.914 -0.597 0.000 2.295 123 V HA -0.215 3.905 4.120 -0.000 0.000 0.246 123 V C 2.493 178.247 176.094 -0.566 0.000 1.049 123 V CA 1.877 63.789 62.300 -0.647 0.000 1.024 123 V CB -1.540 29.710 31.823 -0.955 0.000 0.648 123 V HN -0.094 nan 8.190 nan 0.000 0.447 124 F N -0.556 119.284 119.950 -0.184 0.000 2.367 124 F HA -0.008 4.519 4.527 -0.000 0.000 0.298 124 F C 2.257 177.997 175.800 -0.100 0.000 1.094 124 F CA 0.412 58.316 58.000 -0.161 0.000 1.409 124 F CB -1.262 37.658 39.000 -0.133 0.000 1.064 124 F HN -0.074 nan 8.300 nan 0.000 0.528 125 V N 0.458 120.408 119.914 0.061 0.000 2.343 125 V HA -0.283 3.837 4.120 -0.000 0.000 0.247 125 V C 2.410 178.541 176.094 0.062 0.000 1.051 125 V CA 1.696 64.047 62.300 0.086 0.000 1.036 125 V CB -0.662 31.243 31.823 0.137 0.000 0.654 125 V HN 0.310 nan 8.190 nan 0.000 0.451 126 L N -1.276 119.964 121.223 0.027 0.000 2.072 126 L HA -0.181 4.159 4.340 -0.000 0.000 0.205 126 L C 2.470 179.302 176.870 -0.063 0.000 1.079 126 L CA 1.820 56.656 54.840 -0.007 0.000 0.752 126 L CB -0.480 41.569 42.059 -0.017 0.000 0.906 126 L HN 0.340 nan 8.230 nan 0.000 0.436 127 M N -0.049 119.467 119.600 -0.140 0.000 2.117 127 M HA -0.247 4.233 4.480 -0.000 0.000 0.262 127 M C 2.235 178.493 176.300 -0.071 0.000 1.065 127 M CA 1.788 56.947 55.300 -0.235 0.000 1.114 127 M CB -0.042 32.326 32.600 -0.386 0.000 1.361 127 M HN 0.205 nan 8.290 nan 0.000 0.408 128 E N -0.111 120.100 120.200 0.019 0.000 2.077 128 E HA -0.287 4.063 4.350 -0.000 0.000 0.193 128 E C 1.790 178.469 176.600 0.131 0.000 0.989 128 E CA 1.602 58.073 56.400 0.118 0.000 0.800 128 E CB -0.015 29.777 29.700 0.153 0.000 0.746 128 E HN 0.468 nan 8.360 nan 0.000 0.452 129 E N 1.021 121.266 120.200 0.075 0.000 2.077 129 E HA -0.245 4.105 4.350 -0.000 0.000 0.193 129 E C 1.797 178.425 176.600 0.047 0.000 0.989 129 E CA 1.732 58.168 56.400 0.060 0.000 0.800 129 E CB -0.206 29.516 29.700 0.037 0.000 0.746 129 E HN 0.227 nan 8.360 nan 0.000 0.452 130 E N -0.232 119.986 120.200 0.030 0.000 2.077 130 E HA -0.109 4.241 4.350 -0.000 0.000 0.193 130 E C 2.014 178.623 176.600 0.015 0.000 0.989 130 E CA 1.520 57.935 56.400 0.024 0.000 0.800 130 E CB -0.471 29.253 29.700 0.040 0.000 0.746 130 E HN 0.183 nan 8.360 nan 0.000 0.452 131 V N 0.798 120.748 119.914 0.060 0.000 2.295 131 V HA -0.248 3.871 4.120 -0.000 0.000 0.246 131 V C 2.534 178.648 176.094 0.033 0.000 1.049 131 V CA 1.849 64.183 62.300 0.056 0.000 1.024 131 V CB -0.519 31.425 31.823 0.202 0.000 0.648 131 V HN 0.305 nan 8.190 nan 0.000 0.447 132 L N -0.436 120.837 121.223 0.083 0.000 2.093 132 L HA -0.147 4.193 4.340 -0.000 0.000 0.208 132 L C 2.740 179.626 176.870 0.028 0.000 1.085 132 L CA 1.589 56.442 54.840 0.022 0.000 0.755 132 L CB -0.633 41.440 42.059 0.023 0.000 0.904 132 L HN 0.268 nan 8.230 nan 0.000 0.435 133 R N 0.857 121.375 120.500 0.030 0.000 2.081 133 R HA -0.237 4.103 4.340 -0.000 0.000 0.235 133 R C 2.313 178.625 176.300 0.020 0.000 1.131 133 R CA 1.831 57.954 56.100 0.039 0.000 0.960 133 R CB -0.036 30.280 30.300 0.027 0.000 0.856 133 R HN 0.083 nan 8.270 nan 0.000 0.436 134 K N 0.842 121.211 120.400 -0.053 0.000 2.026 134 K HA -0.079 4.241 4.320 -0.000 0.000 0.208 134 K C 2.133 178.722 176.600 -0.019 0.000 1.048 134 K CA 1.434 57.653 56.287 -0.114 0.000 0.929 134 K CB -0.399 31.872 32.500 -0.382 0.000 0.713 134 K HN 0.225 nan 8.250 nan 0.000 0.439 135 L N 0.272 121.471 121.223 -0.040 0.000 2.042 135 L HA -0.175 4.165 4.340 -0.000 0.000 0.210 135 L C 2.603 179.580 176.870 0.178 0.000 1.076 135 L CA 1.471 56.325 54.840 0.023 0.000 0.749 135 L CB -0.424 41.510 42.059 -0.208 0.000 0.893 135 L HN 0.188 nan 8.230 nan 0.000 0.432 136 R N -0.048 120.538 120.500 0.143 0.000 2.091 136 R HA -0.162 4.178 4.340 -0.000 0.000 0.238 136 R C 2.443 178.824 176.300 0.135 0.000 1.136 136 R CA 1.388 57.611 56.100 0.205 0.000 0.959 136 R CB -0.527 29.961 30.300 0.313 0.000 0.856 136 R HN 0.378 nan 8.270 nan 0.000 0.437 137 A N 1.161 124.056 122.820 0.124 0.000 1.940 137 A HA -0.147 4.173 4.320 -0.000 0.000 0.219 137 A C 2.162 179.793 177.584 0.077 0.000 1.176 137 A CA 1.246 53.342 52.037 0.099 0.000 0.631 137 A CB -0.487 18.562 19.000 0.081 0.000 0.814 137 A HN 0.196 nan 8.150 nan 0.000 0.446 138 L N -0.700 120.606 121.223 0.138 0.000 2.156 138 L HA -0.108 4.232 4.340 -0.000 0.000 0.208 138 L C 2.379 179.253 176.870 0.007 0.000 1.095 138 L CA 0.573 55.505 54.840 0.154 0.000 0.770 138 L CB -0.305 41.985 42.059 0.384 0.000 0.914 138 L HN 0.231 nan 8.230 nan 0.000 0.439 139 V N -0.212 119.652 119.914 -0.084 0.000 2.515 139 V HA -0.081 4.039 4.120 -0.000 0.000 0.250 139 V C 1.613 177.427 176.094 -0.467 0.000 1.058 139 V CA 1.690 63.752 62.300 -0.398 0.000 1.064 139 V CB -0.479 30.875 31.823 -0.781 0.000 0.675 139 V HN 0.723 nan 8.190 nan 0.000 0.461 140 G N -2.498 106.119 108.800 -0.306 0.000 2.151 140 G HA2 -0.146 3.814 3.960 -0.000 0.000 0.140 140 G HA3 -0.146 3.814 3.960 -0.000 0.000 0.140 140 G C -0.462 174.467 174.900 0.049 0.000 1.020 140 G CA -0.556 44.456 45.100 -0.147 0.000 0.688 140 G HN 0.263 nan 8.290 nan 0.000 0.500 141 W N 0.536 121.861 121.300 0.042 0.000 2.587 141 W HA 0.748 5.408 4.660 -0.000 0.000 0.324 141 W C 0.581 177.118 176.519 0.029 0.000 1.040 141 W CA -0.907 56.455 57.345 0.029 0.000 1.222 141 W CB 1.494 30.972 29.460 0.030 0.000 1.381 141 W HN 0.035 nan 8.180 nan 0.000 0.483 142 S N 1.162 117.005 115.700 0.239 0.000 2.540 142 S HA 0.082 4.552 4.470 -0.000 0.000 0.218 142 S C 0.435 175.095 174.600 0.101 0.000 0.977 142 S CA -0.106 58.177 58.200 0.138 0.000 0.918 142 S CB 0.159 63.413 63.200 0.092 0.000 0.806 142 S HN 0.397 nan 8.310 nan 0.000 0.496 143 S N -0.225 115.535 115.700 0.100 0.000 2.588 143 S HA 0.936 5.406 4.470 -0.000 0.000 0.275 143 S C -0.206 174.393 174.600 -0.001 0.000 1.130 143 S CA -0.296 57.923 58.200 0.031 0.000 0.855 143 S CB 1.952 65.144 63.200 -0.015 0.000 1.116 143 S HN 0.522 nan 8.310 nan 0.000 0.472 144 G N 0.690 109.476 108.800 -0.022 0.000 2.332 144 G HA2 0.388 4.348 3.960 -0.000 0.000 0.265 144 G HA3 0.388 4.348 3.960 -0.000 0.000 0.265 144 G C -2.126 172.772 174.900 -0.003 0.000 1.329 144 G CA 0.013 45.077 45.100 -0.060 0.000 0.949 144 G HN 0.928 nan 8.290 nan 0.000 0.476 145 D N -1.693 118.716 120.400 0.015 0.000 2.752 145 D HA 0.775 5.415 4.640 -0.000 0.000 0.313 145 D C 0.209 176.545 176.300 0.060 0.000 1.225 145 D CA 1.033 55.051 54.000 0.031 0.000 0.976 145 D CB 1.571 42.379 40.800 0.013 0.000 1.443 145 D HN 1.813 nan 8.370 nan 0.000 0.515 146 G N -0.652 108.170 108.800 0.036 0.000 2.320 146 G HA2 0.487 4.447 3.960 -0.000 0.000 0.297 146 G HA3 0.487 4.447 3.960 -0.000 0.000 0.297 146 G C -2.048 172.834 174.900 -0.029 0.000 1.344 146 G CA -0.268 44.842 45.100 0.016 0.000 0.851 146 G HN 0.557 nan 8.290 nan 0.000 0.567 147 I N -1.468 119.045 120.570 -0.095 0.000 2.882 147 I HA 0.710 4.880 4.170 -0.000 0.000 0.298 147 I C -1.668 174.346 176.117 -0.172 0.000 1.462 147 I CA -1.019 60.234 61.300 -0.078 0.000 1.000 147 I CB 1.845 39.794 38.000 -0.085 0.000 1.340 147 I HN 0.487 nan 8.210 nan 0.000 0.462 148 F N 4.403 124.376 119.950 0.037 0.000 2.385 148 F HA 0.578 5.105 4.527 -0.000 0.000 0.336 148 F C 0.204 176.056 175.800 0.086 0.000 1.100 148 F CA 0.118 58.157 58.000 0.066 0.000 1.116 148 F CB 1.065 40.098 39.000 0.055 0.000 1.166 148 F HN 0.323 nan 8.300 nan 0.000 0.511 149 C N 3.413 122.893 119.300 0.301 0.000 2.667 149 C HA 0.462 4.922 4.460 -0.000 0.000 0.323 149 C C -2.151 172.991 174.990 0.254 0.000 1.214 149 C CA -1.387 57.811 59.018 0.299 0.000 1.721 149 C CB 2.296 30.247 27.740 0.352 0.000 2.275 149 C HN 0.536 nan 8.230 nan 0.000 0.491 150 P HA 0.319 nan 4.420 nan 0.000 0.225 150 P C 0.050 177.419 177.300 0.115 0.000 1.813 150 P CA 1.042 64.217 63.100 0.124 0.000 1.013 150 P CB -0.242 31.503 31.700 0.076 0.000 1.961 151 G N 0.606 109.510 108.800 0.174 0.000 2.576 151 G HA2 0.028 3.988 3.960 -0.000 0.000 0.686 151 G HA3 0.028 3.988 3.960 -0.000 0.000 0.686 151 G C 0.713 175.733 174.900 0.200 0.000 1.242 151 G CA -0.520 44.696 45.100 0.194 0.000 0.819 151 G HN 0.284 nan 8.290 nan 0.000 0.655 152 G N -0.080 108.844 108.800 0.206 0.000 2.443 152 G HA2 0.076 4.036 3.960 -0.000 0.000 0.219 152 G HA3 0.076 4.036 3.960 -0.000 0.000 0.219 152 G C 2.046 177.037 174.900 0.152 0.000 1.131 152 G CA 2.124 47.329 45.100 0.174 0.000 0.775 152 G HN 1.277 nan 8.290 nan 0.000 0.547 153 S N 0.523 116.301 115.700 0.131 0.000 2.359 153 S HA -0.078 4.392 4.470 -0.000 0.000 0.224 153 S C 2.228 176.866 174.600 0.064 0.000 1.035 153 S CA 0.996 59.274 58.200 0.130 0.000 1.018 153 S CB -0.211 63.069 63.200 0.133 0.000 0.876 153 S HN 0.403 nan 8.310 nan 0.000 0.448 154 I N 1.221 121.814 120.570 0.039 0.000 2.353 154 I HA -0.122 4.048 4.170 -0.000 0.000 0.248 154 I C 2.357 178.523 176.117 0.083 0.000 1.119 154 I CA 0.629 61.907 61.300 -0.037 0.000 1.417 154 I CB -0.407 37.551 38.000 -0.070 0.000 1.078 154 I HN 0.199 nan 8.210 nan 0.000 0.421 155 S N 1.170 117.003 115.700 0.222 0.000 2.365 155 S HA -0.205 4.265 4.470 -0.000 0.000 0.225 155 S C 1.771 176.507 174.600 0.227 0.000 1.039 155 S CA 1.636 60.023 58.200 0.311 0.000 1.033 155 S CB -0.432 62.936 63.200 0.280 0.000 0.887 155 S HN 0.463 nan 8.310 nan 0.000 0.447 156 N N 1.241 120.036 118.700 0.158 0.000 2.120 156 N HA 0.023 4.763 4.740 -0.000 0.000 0.188 156 N C 1.662 177.150 175.510 -0.035 0.000 1.024 156 N CA 1.106 54.179 53.050 0.040 0.000 0.852 156 N CB -0.411 38.163 38.487 0.144 0.000 1.003 156 N HN 0.429 nan 8.380 nan 0.000 0.424 157 M N -0.642 118.959 119.600 0.002 0.000 2.117 157 M HA -0.160 4.320 4.480 -0.000 0.000 0.262 157 M C 1.663 177.970 176.300 0.013 0.000 1.065 157 M CA 1.274 56.559 55.300 -0.026 0.000 1.114 157 M CB -0.423 32.120 32.600 -0.094 0.000 1.361 157 M HN 0.079 nan 8.290 nan 0.000 0.408 158 Y N 0.488 120.815 120.300 0.045 0.000 2.165 158 Y HA -0.220 4.330 4.550 -0.000 0.000 0.286 158 Y C 2.707 178.629 175.900 0.037 0.000 1.155 158 Y CA 1.521 59.680 58.100 0.099 0.000 1.164 158 Y CB -1.102 37.437 38.460 0.132 0.000 0.978 158 Y HN 0.237 nan 8.280 nan 0.000 0.513 159 A N -0.549 122.332 122.820 0.102 0.000 1.883 159 A HA -0.174 4.146 4.320 -0.000 0.000 0.217 159 A C 2.453 179.880 177.584 -0.261 0.000 1.186 159 A CA 2.145 54.128 52.037 -0.090 0.000 0.624 159 A CB -1.242 17.523 19.000 -0.392 0.000 0.822 159 A HN 0.247 nan 8.150 nan 0.000 0.444 160 V N 0.707 120.527 119.914 -0.156 0.000 2.343 160 V HA -0.253 3.867 4.120 -0.000 0.000 0.247 160 V C 2.436 178.549 176.094 0.031 0.000 1.051 160 V CA 2.300 64.565 62.300 -0.058 0.000 1.036 160 V CB -1.128 30.716 31.823 0.035 0.000 0.654 160 V HN 0.727 nan 8.190 nan 0.000 0.451 161 N N 0.244 118.979 118.700 0.058 0.000 2.120 161 N HA -0.142 4.598 4.740 -0.000 0.000 0.188 161 N C 1.642 177.174 175.510 0.037 0.000 1.024 161 N CA 1.566 54.678 53.050 0.102 0.000 0.852 161 N CB -0.290 38.327 38.487 0.216 0.000 1.003 161 N HN 0.448 nan 8.380 nan 0.000 0.424 162 L N -0.411 120.772 121.223 -0.067 0.000 2.056 162 L HA -0.031 4.309 4.340 -0.000 0.000 0.207 162 L C 2.409 179.063 176.870 -0.361 0.000 1.078 162 L CA 1.187 55.922 54.840 -0.175 0.000 0.749 162 L CB -0.531 41.427 42.059 -0.167 0.000 0.901 162 L HN 0.199 nan 8.230 nan 0.000 0.433 163 A N 0.053 122.438 122.820 -0.726 0.000 1.898 163 A HA -0.231 4.088 4.320 -0.000 0.000 0.216 163 A C 2.430 180.010 177.584 -0.007 0.000 1.181 163 A CA 1.681 53.330 52.037 -0.647 0.000 0.620 163 A CB -0.551 17.984 19.000 -0.776 0.000 0.819 163 A HN 0.352 nan 8.150 nan 0.000 0.442 164 R N -1.997 118.539 120.500 0.060 0.000 2.081 164 R HA -0.198 4.142 4.340 -0.000 0.000 0.235 164 R C 2.065 178.389 176.300 0.040 0.000 1.131 164 R CA 1.971 58.052 56.100 -0.032 0.000 0.960 164 R CB -0.522 29.739 30.300 -0.065 0.000 0.856 164 R HN 0.588 nan 8.270 nan 0.000 0.436 165 Y N 1.322 121.597 120.300 -0.042 0.000 2.200 165 Y HA -0.234 4.316 4.550 -0.000 0.000 0.290 165 Y C 2.483 178.379 175.900 -0.006 0.000 1.137 165 Y CA 2.128 60.218 58.100 -0.017 0.000 1.163 165 Y CB -0.241 38.194 38.460 -0.042 0.000 0.988 165 Y HN 0.208 nan 8.280 nan 0.000 0.518 166 Q N 0.236 120.060 119.800 0.040 0.000 2.084 166 Q HA -0.271 4.069 4.340 -0.000 0.000 0.202 166 Q C 2.494 178.429 176.000 -0.109 0.000 0.978 166 Q CA 1.939 57.749 55.803 0.012 0.000 0.844 166 Q CB -0.235 28.631 28.738 0.212 0.000 0.898 166 Q HN 0.502 nan 8.270 nan 0.000 0.426 167 R N -1.327 119.097 120.500 -0.126 0.000 2.090 167 R HA -0.089 4.251 4.340 -0.000 0.000 0.228 167 R C -0.051 175.885 176.300 -0.608 0.000 1.110 167 R CA 0.970 56.860 56.100 -0.350 0.000 0.973 167 R CB 0.331 30.413 30.300 -0.363 0.000 0.869 167 R HN 0.190 nan 8.270 nan 0.000 0.440 168 Y N -0.223 119.989 120.300 -0.146 0.000 2.535 168 Y HA 0.320 4.870 4.550 -0.000 0.000 0.351 168 Y C -1.963 173.794 175.900 -0.238 0.000 1.050 168 Y CA -2.708 55.296 58.100 -0.160 0.000 1.168 168 Y CB 1.770 40.148 38.460 -0.136 0.000 1.116 168 Y HN 0.098 nan 8.280 nan 0.000 0.654 169 P HA -0.145 nan 4.420 nan 0.000 0.220 169 P C 0.709 177.905 177.300 -0.172 0.000 1.148 169 P CA 1.501 64.239 63.100 -0.603 0.000 0.803 169 P CB 0.583 31.891 31.700 -0.654 0.000 0.782 170 D N -0.786 119.583 120.400 -0.052 0.000 2.310 170 D HA -0.106 4.534 4.640 -0.000 0.000 0.212 170 D C 1.920 178.238 176.300 0.030 0.000 0.965 170 D CA 0.511 54.517 54.000 0.010 0.000 0.879 170 D CB -0.877 39.930 40.800 0.011 0.000 0.921 170 D HN 0.173 nan 8.370 nan 0.000 0.510 171 C N 1.292 120.613 119.300 0.035 0.000 2.411 171 C HA -0.141 4.319 4.460 -0.000 0.000 0.279 171 C C 2.528 177.560 174.990 0.070 0.000 1.288 171 C CA 0.824 59.859 59.018 0.028 0.000 1.764 171 C CB -0.819 26.938 27.740 0.028 0.000 1.974 171 C HN 0.263 nan 8.230 nan 0.000 0.498 172 K N -0.371 120.118 120.400 0.147 0.000 2.103 172 K HA -0.221 4.099 4.320 -0.000 0.000 0.207 172 K C 2.054 178.710 176.600 0.093 0.000 1.048 172 K CA 2.025 58.408 56.287 0.161 0.000 0.930 172 K CB -0.065 32.597 32.500 0.269 0.000 0.716 172 K HN 0.525 nan 8.250 nan 0.000 0.444 173 Q N -0.445 119.402 119.800 0.078 0.000 2.134 173 Q HA 0.074 4.414 4.340 -0.000 0.000 0.195 173 Q C 1.778 177.792 176.000 0.024 0.000 0.958 173 Q CA 1.136 56.968 55.803 0.048 0.000 0.840 173 Q CB 0.279 29.046 28.738 0.047 0.000 0.918 173 Q HN 0.194 nan 8.270 nan 0.000 0.467 174 R N -0.385 120.124 120.500 0.014 0.000 2.254 174 R HA 0.331 4.671 4.340 -0.000 0.000 0.195 174 R C 0.316 176.602 176.300 -0.023 0.000 0.957 174 R CA 0.510 56.605 56.100 -0.008 0.000 1.024 174 R CB 0.483 30.773 30.300 -0.016 0.000 0.952 174 R HN 0.248 nan 8.270 nan 0.000 0.484 175 G N 1.227 110.015 108.800 -0.021 0.000 2.795 175 G HA2 -0.243 3.717 3.960 -0.000 0.000 0.664 175 G HA3 -0.243 3.717 3.960 -0.000 0.000 0.664 175 G C 0.243 175.099 174.900 -0.072 0.000 1.381 175 G CA -0.245 44.832 45.100 -0.039 0.000 0.853 175 G HN 0.259 nan 8.290 nan 0.000 0.545 176 L N -1.256 119.914 121.223 -0.088 0.000 2.607 176 L HA 0.306 4.646 4.340 -0.000 0.000 0.228 176 L C 2.587 179.377 176.870 -0.133 0.000 1.123 176 L CA 0.749 55.507 54.840 -0.137 0.000 0.890 176 L CB -0.326 41.647 42.059 -0.144 0.000 1.103 176 L HN 0.753 nan 8.230 nan 0.000 0.468 177 R N 1.233 121.675 120.500 -0.097 0.000 2.105 177 R HA -0.126 4.214 4.340 -0.000 0.000 0.239 177 R C 1.718 177.965 176.300 -0.089 0.000 1.135 177 R CA 1.947 57.998 56.100 -0.082 0.000 0.967 177 R CB -1.274 28.989 30.300 -0.061 0.000 0.861 177 R HN 0.505 nan 8.270 nan 0.000 0.442 178 T N -1.673 112.821 114.554 -0.099 0.000 3.086 178 T HA 0.318 4.668 4.350 -0.000 0.000 0.250 178 T C 0.890 175.506 174.700 -0.139 0.000 1.074 178 T CA -0.419 61.623 62.100 -0.097 0.000 0.988 178 T CB 0.035 68.858 68.868 -0.075 0.000 0.988 178 T HN 0.044 nan 8.240 nan 0.000 0.530 179 L N 1.610 122.708 121.223 -0.209 0.000 2.475 179 L HA 0.425 4.765 4.340 -0.000 0.000 0.253 179 L C -1.830 174.888 176.870 -0.253 0.000 1.198 179 L CA -2.407 52.228 54.840 -0.342 0.000 0.814 179 L CB 0.098 41.811 42.059 -0.576 0.000 1.134 179 L HN 0.038 nan 8.230 nan 0.000 0.478 180 P HA 0.156 nan 4.420 nan 0.000 0.274 180 P C -2.572 174.667 177.300 -0.103 0.000 1.260 180 P CA -1.020 62.010 63.100 -0.116 0.000 0.793 180 P CB -0.430 31.249 31.700 -0.036 0.000 1.048 181 P HA 0.151 nan 4.420 nan 0.000 0.271 181 P C -0.751 176.555 177.300 0.010 0.000 1.216 181 P CA 0.455 63.541 63.100 -0.023 0.000 0.771 181 P CB 0.275 31.976 31.700 0.002 0.000 0.864 182 L N 2.062 123.286 121.223 0.002 0.000 2.322 182 L HA 0.733 5.073 4.340 -0.000 0.000 0.279 182 L C 0.389 177.374 176.870 0.193 0.000 1.036 182 L CA -0.891 53.995 54.840 0.077 0.000 0.807 182 L CB 1.585 43.544 42.059 -0.167 0.000 1.226 182 L HN 0.338 nan 8.230 nan 0.000 0.433 183 A N 4.358 127.363 122.820 0.309 0.000 2.343 183 A HA 0.838 5.158 4.320 -0.000 0.000 0.316 183 A C -0.728 176.817 177.584 -0.065 0.000 1.104 183 A CA -0.525 51.541 52.037 0.049 0.000 0.768 183 A CB 1.313 20.292 19.000 -0.035 0.000 1.213 183 A HN 0.702 nan 8.150 nan 0.000 0.456 184 L N -1.096 119.899 121.223 -0.380 0.000 2.301 184 L HA 1.025 5.365 4.340 -0.000 0.000 0.264 184 L C -1.330 175.113 176.870 -0.711 0.000 1.016 184 L CA -0.945 53.620 54.840 -0.458 0.000 0.821 184 L CB 1.829 43.676 42.059 -0.355 0.000 1.346 184 L HN 0.504 nan 8.230 nan 0.000 0.429 185 F N -0.816 119.113 119.950 -0.036 0.000 2.556 185 F HA 0.777 5.304 4.527 -0.000 0.000 0.314 185 F C 0.200 176.018 175.800 0.030 0.000 1.106 185 F CA -0.496 57.508 58.000 0.006 0.000 0.911 185 F CB 2.490 41.492 39.000 0.003 0.000 1.190 185 F HN 0.691 nan 8.300 nan 0.000 0.448 186 T N 0.547 115.211 114.554 0.184 0.000 2.821 186 T HA 0.410 4.760 4.350 -0.000 0.000 0.306 186 T C -1.025 173.753 174.700 0.131 0.000 1.313 186 T CA -0.543 61.647 62.100 0.149 0.000 1.012 186 T CB 1.733 70.675 68.868 0.123 0.000 1.298 186 T HN 0.652 nan 8.240 nan 0.000 0.502 187 S N 1.169 116.940 115.700 0.118 0.000 2.585 187 S HA 0.231 4.701 4.470 -0.000 0.000 0.273 187 S C 1.304 175.961 174.600 0.094 0.000 1.339 187 S CA -0.123 58.139 58.200 0.104 0.000 1.028 187 S CB 0.818 64.077 63.200 0.099 0.000 0.906 187 S HN 0.747 nan 8.310 nan 0.000 0.528 188 K N 1.964 122.412 120.400 0.081 0.000 2.218 188 K HA -0.071 4.249 4.320 -0.000 0.000 0.205 188 K C 1.231 177.875 176.600 0.075 0.000 1.046 188 K CA 1.733 58.058 56.287 0.063 0.000 0.933 188 K CB -0.100 32.427 32.500 0.045 0.000 0.728 188 K HN 0.597 nan 8.250 nan 0.000 0.454 189 E N 0.215 120.478 120.200 0.105 0.000 2.489 189 E HA -0.005 4.345 4.350 -0.000 0.000 0.193 189 E C 0.718 177.397 176.600 0.132 0.000 1.057 189 E CA 0.419 56.907 56.400 0.147 0.000 0.866 189 E CB -0.792 29.004 29.700 0.161 0.000 0.916 189 E HN 0.514 nan 8.360 nan 0.000 0.500 190 C N 0.216 119.588 119.300 0.119 0.000 2.639 190 C HA 0.290 4.750 4.460 -0.000 0.000 0.360 190 C C 1.036 176.124 174.990 0.163 0.000 1.351 190 C CA -0.917 58.187 59.018 0.143 0.000 2.408 190 C CB -0.172 27.654 27.740 0.144 0.000 2.517 190 C HN 0.321 nan 8.230 nan 0.000 0.696 191 H N 0.563 119.697 119.070 0.106 0.000 2.722 191 H HA 0.190 4.746 4.556 -0.000 0.000 0.328 191 H C 0.905 176.370 175.328 0.228 0.000 1.067 191 H CA 0.220 56.340 56.048 0.120 0.000 1.447 191 H CB 0.363 30.204 29.762 0.132 0.000 1.469 191 H HN 0.774 nan 8.280 nan 0.000 0.544 192 Y N 2.001 122.079 120.300 -0.371 0.000 2.716 192 Y HA -0.144 4.406 4.550 -0.000 0.000 0.302 192 Y C 1.757 177.584 175.900 -0.121 0.000 1.160 192 Y CA 0.131 58.103 58.100 -0.212 0.000 1.362 192 Y CB -0.242 38.081 38.460 -0.229 0.000 0.988 192 Y HN 0.532 nan 8.280 nan 0.000 0.546 193 S N 0.813 116.671 115.700 0.262 0.000 2.423 193 S HA -0.146 4.324 4.470 -0.000 0.000 0.231 193 S C 1.660 176.335 174.600 0.126 0.000 1.014 193 S CA 0.776 59.105 58.200 0.216 0.000 0.965 193 S CB -0.542 62.944 63.200 0.478 0.000 0.785 193 S HN 0.485 nan 8.310 nan 0.000 0.495 194 I N 2.110 122.772 120.570 0.153 0.000 2.179 194 I HA -0.156 4.014 4.170 -0.000 0.000 0.242 194 I C 2.849 178.998 176.117 0.053 0.000 1.088 194 I CA 1.460 62.823 61.300 0.104 0.000 1.357 194 I CB -1.479 36.590 38.000 0.116 0.000 1.051 194 I HN 0.446 nan 8.210 nan 0.000 0.409 195 Q N 0.597 120.418 119.800 0.036 0.000 2.084 195 Q HA -0.182 4.158 4.340 -0.000 0.000 0.202 195 Q C 2.274 178.261 176.000 -0.020 0.000 0.978 195 Q CA 1.401 57.207 55.803 0.005 0.000 0.844 195 Q CB -0.039 28.699 28.738 -0.000 0.000 0.898 195 Q HN 0.441 nan 8.270 nan 0.000 0.426 196 K N -0.203 120.152 120.400 -0.076 0.000 2.063 196 K HA -0.141 4.179 4.320 -0.000 0.000 0.208 196 K C 2.123 178.712 176.600 -0.018 0.000 1.048 196 K CA 1.268 57.494 56.287 -0.102 0.000 0.928 196 K CB -0.371 31.990 32.500 -0.232 0.000 0.713 196 K HN 0.300 nan 8.250 nan 0.000 0.442 197 G N 1.179 109.978 108.800 -0.003 0.000 2.418 197 G HA2 -0.249 3.711 3.960 -0.000 0.000 0.217 197 G HA3 -0.249 3.711 3.960 -0.000 0.000 0.217 197 G C 1.650 176.607 174.900 0.095 0.000 1.158 197 G CA 0.963 46.089 45.100 0.044 0.000 0.771 197 G HN 0.358 nan 8.290 nan 0.000 0.545 198 A N 1.238 124.098 122.820 0.067 0.000 1.902 198 A HA 0.224 4.544 4.320 -0.000 0.000 0.217 198 A C 2.827 180.449 177.584 0.064 0.000 1.181 198 A CA 2.356 54.434 52.037 0.069 0.000 0.623 198 A CB -0.835 18.195 19.000 0.049 0.000 0.818 198 A HN 0.795 nan 8.150 nan 0.000 0.443 199 A N -1.376 121.480 122.820 0.060 0.000 1.877 199 A HA -0.066 4.254 4.320 -0.000 0.000 0.216 199 A C 2.053 179.689 177.584 0.087 0.000 1.186 199 A CA 1.650 53.720 52.037 0.054 0.000 0.620 199 A CB -0.737 18.288 19.000 0.042 0.000 0.822 199 A HN 0.579 nan 8.150 nan 0.000 0.443 200 F N 0.155 120.082 119.950 -0.039 0.000 2.171 200 F HA -0.054 4.473 4.527 -0.000 0.000 0.300 200 F C 1.759 177.538 175.800 -0.034 0.000 1.090 200 F CA 1.413 59.388 58.000 -0.042 0.000 1.293 200 F CB -0.142 38.825 39.000 -0.054 0.000 1.013 200 F HN 0.108 nan 8.300 nan 0.000 0.486 201 L N -0.629 120.651 121.223 0.096 0.000 2.610 201 L HA 0.132 4.472 4.340 -0.000 0.000 0.232 201 L C 1.726 178.579 176.870 -0.030 0.000 1.149 201 L CA 0.776 55.629 54.840 0.023 0.000 0.872 201 L CB -0.799 41.306 42.059 0.077 0.000 0.992 201 L HN 0.427 nan 8.230 nan 0.000 0.447 202 G N -0.491 108.283 108.800 -0.042 0.000 2.176 202 G HA2 -0.298 3.662 3.960 -0.000 0.000 0.253 202 G HA3 -0.298 3.662 3.960 -0.000 0.000 0.253 202 G C 0.766 175.646 174.900 -0.032 0.000 0.979 202 G CA 0.375 45.443 45.100 -0.053 0.000 0.641 202 G HN 0.320 nan 8.290 nan 0.000 0.530 203 L N 0.578 121.797 121.223 -0.006 0.000 2.270 203 L HA 0.448 4.788 4.340 -0.000 0.000 0.210 203 L C 1.750 178.621 176.870 0.002 0.000 1.104 203 L CA 1.011 55.852 54.840 0.002 0.000 0.804 203 L CB -0.361 41.726 42.059 0.047 0.000 0.937 203 L HN 1.254 nan 8.230 nan 0.000 0.450 204 G N -0.202 108.600 108.800 0.004 0.000 2.722 204 G HA2 -0.259 3.701 3.960 -0.000 0.000 0.686 204 G HA3 -0.259 3.701 3.960 -0.000 0.000 0.686 204 G C 0.635 175.538 174.900 0.005 0.000 1.282 204 G CA -0.095 45.005 45.100 0.000 0.000 0.817 204 G HN 0.235 nan 8.290 nan 0.000 0.605 205 T N -1.812 112.743 114.554 0.001 0.000 2.881 205 T HA -0.081 4.269 4.350 -0.000 0.000 0.270 205 T C 1.573 176.267 174.700 -0.010 0.000 1.068 205 T CA 2.112 64.210 62.100 -0.002 0.000 1.131 205 T CB -0.112 68.753 68.868 -0.005 0.000 0.871 205 T HN 0.488 nan 8.240 nan 0.000 0.479 206 D N 2.020 122.414 120.400 -0.011 0.000 2.263 206 D HA -0.072 4.568 4.640 -0.000 0.000 0.208 206 D C 2.433 178.715 176.300 -0.030 0.000 0.971 206 D CA 1.410 55.400 54.000 -0.016 0.000 0.867 206 D CB -0.425 40.368 40.800 -0.011 0.000 0.929 206 D HN 0.695 nan 8.370 nan 0.000 0.492 207 S N -0.401 115.285 115.700 -0.023 0.000 2.474 207 S HA -0.063 4.407 4.470 -0.000 0.000 0.235 207 S C 1.021 175.562 174.600 -0.098 0.000 0.997 207 S CA 0.037 58.218 58.200 -0.031 0.000 0.949 207 S CB -0.183 63.031 63.200 0.025 0.000 0.766 207 S HN -0.041 nan 8.310 nan 0.000 0.517 208 V N 3.990 123.854 119.914 -0.084 0.000 2.389 208 V HA 0.386 4.506 4.120 -0.000 0.000 0.264 208 V C -0.011 176.001 176.094 -0.137 0.000 1.049 208 V CA -0.607 61.622 62.300 -0.118 0.000 0.932 208 V CB 0.387 32.184 31.823 -0.044 0.000 1.011 208 V HN 0.326 nan 8.190 nan 0.000 0.475 209 R N 4.100 124.445 120.500 -0.258 0.000 2.229 209 R HA 0.462 4.802 4.340 -0.000 0.000 0.328 209 R C -0.696 175.599 176.300 -0.007 0.000 1.009 209 R CA -0.645 55.363 56.100 -0.154 0.000 0.864 209 R CB 1.284 31.425 30.300 -0.265 0.000 1.085 209 R HN 0.440 nan 8.270 nan 0.000 0.453 210 V N 4.370 124.306 119.914 0.037 0.000 2.406 210 V HA 0.221 4.341 4.120 -0.000 0.000 0.272 210 V C 0.405 176.556 176.094 0.094 0.000 1.043 210 V CA -0.694 61.645 62.300 0.065 0.000 0.915 210 V CB 1.599 33.449 31.823 0.045 0.000 0.988 210 V HN 0.373 nan 8.190 nan 0.000 0.466 211 V N 5.414 125.397 119.914 0.116 0.000 2.539 211 V HA 0.333 4.453 4.120 -0.000 0.000 0.292 211 V C 0.462 176.607 176.094 0.085 0.000 1.045 211 V CA -1.114 61.254 62.300 0.114 0.000 0.945 211 V CB 1.497 33.400 31.823 0.132 0.000 0.993 211 V HN 0.799 nan 8.190 nan 0.000 0.464 212 K N 2.463 122.907 120.400 0.072 0.000 2.436 212 K HA 0.487 4.807 4.320 -0.000 0.000 0.275 212 K C 0.011 176.650 176.600 0.066 0.000 0.999 212 K CA 0.111 56.435 56.287 0.061 0.000 0.980 212 K CB 0.620 33.152 32.500 0.053 0.000 0.919 212 K HN 0.860 nan 8.250 nan 0.000 0.484 213 A N 2.507 125.367 122.820 0.067 0.000 2.340 213 A HA 0.304 4.624 4.320 -0.000 0.000 0.331 213 A C -0.650 176.978 177.584 0.072 0.000 1.140 213 A CA -0.912 51.171 52.037 0.076 0.000 0.801 213 A CB 0.841 19.895 19.000 0.090 0.000 1.234 213 A HN 0.817 nan 8.150 nan 0.000 0.469 214 D N 0.316 120.760 120.400 0.074 0.000 2.440 214 D HA 0.138 4.778 4.640 -0.000 0.000 0.269 214 D C 1.102 177.449 176.300 0.078 0.000 1.249 214 D CA 0.132 54.173 54.000 0.069 0.000 1.055 214 D CB 0.248 41.085 40.800 0.062 0.000 1.104 214 D HN 0.497 nan 8.370 nan 0.000 0.561 215 E N 0.112 120.355 120.200 0.071 0.000 2.333 215 E HA -0.236 4.114 4.350 -0.000 0.000 0.198 215 E C 1.132 177.781 176.600 0.081 0.000 1.007 215 E CA 0.962 57.407 56.400 0.075 0.000 0.845 215 E CB -0.383 29.355 29.700 0.064 0.000 0.766 215 E HN 0.540 nan 8.360 nan 0.000 0.507 216 R N -0.076 120.474 120.500 0.082 0.000 2.388 216 R HA 0.225 4.565 4.340 -0.000 0.000 0.247 216 R C 0.873 177.235 176.300 0.103 0.000 0.931 216 R CA 0.376 56.529 56.100 0.089 0.000 1.082 216 R CB 0.320 30.673 30.300 0.087 0.000 1.135 216 R HN 0.331 nan 8.270 nan 0.000 0.525 217 G N 1.806 110.673 108.800 0.112 0.000 2.143 217 G HA2 -0.326 3.634 3.960 -0.000 0.000 0.248 217 G HA3 -0.326 3.634 3.960 -0.000 0.000 0.248 217 G C -0.200 174.767 174.900 0.112 0.000 0.991 217 G CA 0.123 45.300 45.100 0.129 0.000 0.689 217 G HN 0.271 nan 8.290 nan 0.000 0.522 218 K N -0.005 120.455 120.400 0.100 0.000 2.159 218 K HA 0.561 4.881 4.320 -0.000 0.000 0.266 218 K C 0.825 177.473 176.600 0.081 0.000 0.975 218 K CA -0.858 55.483 56.287 0.091 0.000 0.865 218 K CB 1.404 33.959 32.500 0.091 0.000 1.087 218 K HN 0.269 nan 8.250 nan 0.000 0.446 219 M N 2.887 122.533 119.600 0.078 0.000 2.248 219 M HA -0.026 4.454 4.480 -0.000 0.000 0.343 219 M C -0.659 175.679 176.300 0.063 0.000 1.243 219 M CA 0.180 55.523 55.300 0.073 0.000 1.025 219 M CB 0.477 33.121 32.600 0.074 0.000 1.759 219 M HN 0.275 nan 8.290 nan 0.000 0.452 220 V N 9.159 129.108 119.914 0.058 0.000 2.368 220 V HA 0.144 4.264 4.120 -0.000 0.000 0.266 220 V C -1.803 174.315 176.094 0.040 0.000 1.045 220 V CA -1.173 61.156 62.300 0.049 0.000 0.899 220 V CB 0.652 32.504 31.823 0.047 0.000 1.006 220 V HN 0.797 nan 8.190 nan 0.000 0.470 221 P HA -0.119 nan 4.420 nan 0.000 0.218 221 P C 1.215 178.526 177.300 0.017 0.000 1.148 221 P CA 0.959 64.074 63.100 0.025 0.000 0.822 221 P CB 0.399 32.116 31.700 0.027 0.000 0.784 222 E N -0.619 119.595 120.200 0.023 0.000 2.110 222 E HA -0.188 4.162 4.350 -0.000 0.000 0.193 222 E C 1.733 178.343 176.600 0.018 0.000 0.988 222 E CA 1.261 57.674 56.400 0.021 0.000 0.804 222 E CB -0.846 28.869 29.700 0.025 0.000 0.745 222 E HN 0.292 nan 8.360 nan 0.000 0.458 223 D N -0.428 119.986 120.400 0.024 0.000 2.194 223 D HA -0.090 4.550 4.640 -0.000 0.000 0.204 223 D C 1.682 177.992 176.300 0.017 0.000 0.964 223 D CA 0.246 54.263 54.000 0.030 0.000 0.846 223 D CB 0.067 40.894 40.800 0.045 0.000 0.962 223 D HN 0.084 nan 8.370 nan 0.000 0.490 224 L N 0.997 122.219 121.223 -0.001 0.000 2.012 224 L HA -0.150 4.190 4.340 -0.000 0.000 0.210 224 L C 2.088 178.860 176.870 -0.163 0.000 1.073 224 L CA 1.989 56.790 54.840 -0.065 0.000 0.748 224 L CB -0.940 41.082 42.059 -0.062 0.000 0.891 224 L HN -0.013 nan 8.230 nan 0.000 0.431 225 E N -0.147 119.993 120.200 -0.101 0.000 2.085 225 E HA -0.282 4.068 4.350 -0.000 0.000 0.194 225 E C 2.464 179.012 176.600 -0.086 0.000 0.994 225 E CA 1.700 58.039 56.400 -0.101 0.000 0.801 225 E CB -0.361 29.342 29.700 0.005 0.000 0.743 225 E HN 0.469 nan 8.360 nan 0.000 0.453 226 R N -0.333 120.150 120.500 -0.029 0.000 2.083 226 R HA -0.168 4.172 4.340 -0.000 0.000 0.237 226 R C 2.305 178.612 176.300 0.011 0.000 1.137 226 R CA 1.775 57.876 56.100 0.002 0.000 0.951 226 R CB -0.126 30.188 30.300 0.023 0.000 0.851 226 R HN 0.267 nan 8.270 nan 0.000 0.434 227 Q N 0.255 120.069 119.800 0.023 0.000 2.167 227 Q HA -0.119 4.221 4.340 -0.000 0.000 0.202 227 Q C 2.231 178.322 176.000 0.152 0.000 0.970 227 Q CA 1.200 57.081 55.803 0.130 0.000 0.855 227 Q CB -0.052 28.833 28.738 0.246 0.000 0.911 227 Q HN 0.477 nan 8.270 nan 0.000 0.438 228 I N 0.187 120.644 120.570 -0.188 0.000 2.163 228 I HA -0.227 3.943 4.170 -0.000 0.000 0.243 228 I C 2.328 178.403 176.117 -0.070 0.000 1.085 228 I CA 1.345 62.451 61.300 -0.323 0.000 1.347 228 I CB -0.596 36.960 38.000 -0.740 0.000 1.044 228 I HN 0.216 nan 8.210 nan 0.000 0.408 229 G N 0.443 109.207 108.800 -0.060 0.000 2.418 229 G HA2 -0.230 3.730 3.960 -0.000 0.000 0.217 229 G HA3 -0.230 3.730 3.960 -0.000 0.000 0.217 229 G C 1.731 176.664 174.900 0.055 0.000 1.158 229 G CA 0.531 45.640 45.100 0.014 0.000 0.771 229 G HN 0.223 nan 8.290 nan 0.000 0.545 230 M N 0.822 120.463 119.600 0.069 0.000 2.117 230 M HA -0.004 4.475 4.480 -0.000 0.000 0.262 230 M C 3.043 179.402 176.300 0.098 0.000 1.065 230 M CA 1.403 56.751 55.300 0.080 0.000 1.114 230 M CB -0.228 32.422 32.600 0.083 0.000 1.361 230 M HN 0.310 nan 8.290 nan 0.000 0.408 231 A N 0.351 123.261 122.820 0.149 0.000 1.902 231 A HA -0.192 4.128 4.320 -0.000 0.000 0.217 231 A C 1.915 179.575 177.584 0.126 0.000 1.181 231 A CA 1.852 53.983 52.037 0.157 0.000 0.623 231 A CB -0.705 18.461 19.000 0.278 0.000 0.818 231 A HN 0.541 nan 8.150 nan 0.000 0.443 232 E N -0.288 119.985 120.200 0.122 0.000 2.110 232 E HA -0.096 4.254 4.350 -0.000 0.000 0.193 232 E C 2.204 178.850 176.600 0.077 0.000 0.988 232 E CA 0.929 57.390 56.400 0.101 0.000 0.804 232 E CB -0.288 29.467 29.700 0.093 0.000 0.745 232 E HN 0.620 nan 8.360 nan 0.000 0.458 233 A N 1.151 124.012 122.820 0.069 0.000 2.070 233 A HA -0.189 4.131 4.320 -0.000 0.000 0.220 233 A C 1.611 179.225 177.584 0.049 0.000 1.159 233 A CA 1.150 53.220 52.037 0.055 0.000 0.656 233 A CB -0.222 18.808 19.000 0.050 0.000 0.800 233 A HN 0.155 nan 8.150 nan 0.000 0.453 234 E N -1.751 118.481 120.200 0.054 0.000 2.479 234 E HA 0.302 4.652 4.350 -0.000 0.000 0.193 234 E C 1.073 177.698 176.600 0.042 0.000 1.049 234 E CA 0.271 56.697 56.400 0.044 0.000 0.870 234 E CB 0.090 29.816 29.700 0.043 0.000 0.944 234 E HN 0.689 nan 8.360 nan 0.000 0.492 235 G N 0.943 109.773 108.800 0.050 0.000 2.176 235 G HA2 -0.274 3.686 3.960 -0.000 0.000 0.232 235 G HA3 -0.274 3.686 3.960 -0.000 0.000 0.232 235 G C 0.377 175.311 174.900 0.058 0.000 0.986 235 G CA -0.069 45.059 45.100 0.047 0.000 0.643 235 G HN 0.446 nan 8.290 nan 0.000 0.522 236 A N -0.374 122.490 122.820 0.073 0.000 2.304 236 A HA 0.756 5.076 4.320 -0.000 0.000 0.271 236 A C 0.324 177.987 177.584 0.132 0.000 1.091 236 A CA 0.148 52.239 52.037 0.090 0.000 0.812 236 A CB 1.299 20.354 19.000 0.091 0.000 1.056 236 A HN 1.099 nan 8.150 nan 0.000 0.489 237 V N 3.287 123.296 119.914 0.159 0.000 2.311 237 V HA 0.263 4.383 4.120 -0.000 0.000 0.275 237 V C -2.311 173.970 176.094 0.312 0.000 1.022 237 V CA -1.437 60.991 62.300 0.214 0.000 0.830 237 V CB 0.892 32.850 31.823 0.225 0.000 1.012 237 V HN 0.716 nan 8.190 nan 0.000 0.452 238 P HA 0.105 nan 4.420 nan 0.000 0.265 238 P C 0.062 177.646 177.300 0.474 0.000 1.193 238 P CA 0.360 63.738 63.100 0.464 0.000 0.765 238 P CB 0.220 32.129 31.700 0.349 0.000 0.823 239 F N 2.476 122.585 119.950 0.265 0.000 2.912 239 F HA 0.510 5.037 4.527 -0.000 0.000 0.357 239 F C -0.609 175.342 175.800 0.251 0.000 1.003 239 F CA -0.394 57.733 58.000 0.211 0.000 1.132 239 F CB 0.541 39.633 39.000 0.153 0.000 1.055 239 F HN 0.111 nan 8.300 nan 0.000 0.572 240 L N 1.940 122.957 121.223 -0.343 0.000 2.513 240 L HA 0.743 5.082 4.340 -0.000 0.000 0.261 240 L C -1.878 175.020 176.870 0.046 0.000 0.945 240 L CA -0.829 53.867 54.840 -0.240 0.000 0.848 240 L CB 2.399 44.031 42.059 -0.711 0.000 1.334 240 L HN -0.131 nan 8.230 nan 0.000 0.407 241 V N 2.746 122.765 119.914 0.175 0.000 2.495 241 V HA 0.496 4.616 4.120 -0.000 0.000 0.298 241 V C -0.146 176.083 176.094 0.225 0.000 1.031 241 V CA -0.463 61.965 62.300 0.214 0.000 0.871 241 V CB 1.781 33.693 31.823 0.149 0.000 0.988 241 V HN 0.740 nan 8.190 nan 0.000 0.432 242 S N 3.792 119.620 115.700 0.214 0.000 2.474 242 S HA 0.722 5.192 4.470 -0.000 0.000 0.320 242 S C 0.082 174.781 174.600 0.165 0.000 1.067 242 S CA -0.266 58.079 58.200 0.242 0.000 1.127 242 S CB 0.478 63.839 63.200 0.268 0.000 0.971 242 S HN 1.055 nan 8.310 nan 0.000 0.472 243 A N 4.044 126.933 122.820 0.116 0.000 2.286 243 A HA 0.710 5.030 4.320 -0.000 0.000 0.286 243 A C 0.174 177.779 177.584 0.036 0.000 1.097 243 A CA -0.431 51.648 52.037 0.070 0.000 0.821 243 A CB 0.499 19.529 19.000 0.049 0.000 1.076 243 A HN 0.677 nan 8.150 nan 0.000 0.490 244 T N 1.589 116.156 114.554 0.022 0.000 2.809 244 T HA 0.449 4.799 4.350 -0.000 0.000 0.284 244 T C -0.345 174.289 174.700 -0.109 0.000 0.992 244 T CA -0.241 61.849 62.100 -0.018 0.000 0.957 244 T CB 1.185 70.068 68.868 0.024 0.000 0.942 244 T HN 0.422 nan 8.240 nan 0.000 0.439 245 S N 2.741 118.325 115.700 -0.193 0.000 2.567 245 S HA 0.610 5.080 4.470 -0.000 0.000 0.262 245 S C 0.629 174.709 174.600 -0.868 0.000 1.237 245 S CA -0.588 57.376 58.200 -0.394 0.000 1.093 245 S CB 0.325 63.455 63.200 -0.117 0.000 1.095 245 S HN 1.234 nan 8.310 nan 0.000 0.489 246 G N 2.651 110.724 108.800 -1.211 0.000 2.721 246 G HA2 -0.139 3.821 3.960 -0.000 0.000 0.462 246 G HA3 -0.139 3.821 3.960 -0.000 0.000 0.462 246 G C -0.112 174.779 174.900 -0.016 0.000 1.062 246 G CA -0.553 44.068 45.100 -0.798 0.000 1.233 246 G HN 0.757 nan 8.290 nan 0.000 0.545 247 T N -0.697 113.865 114.554 0.014 0.000 2.860 247 T HA 0.561 4.911 4.350 -0.000 0.000 0.299 247 T C 2.030 176.833 174.700 0.171 0.000 1.045 247 T CA 0.911 63.076 62.100 0.107 0.000 1.071 247 T CB 1.374 70.290 68.868 0.081 0.000 0.985 247 T HN 1.550 nan 8.240 nan 0.000 0.537 248 T N -0.499 114.101 114.554 0.076 0.000 2.821 248 T HA -0.074 4.276 4.350 -0.000 0.000 0.267 248 T C 1.752 176.391 174.700 -0.103 0.000 1.046 248 T CA 1.065 63.126 62.100 -0.065 0.000 1.139 248 T CB -0.556 68.281 68.868 -0.051 0.000 0.871 248 T HN 0.415 nan 8.240 nan 0.000 0.454 249 V N 1.185 121.064 119.914 -0.059 0.000 2.326 249 V HA 0.216 4.336 4.120 -0.000 0.000 0.237 249 V C 2.672 178.735 176.094 -0.051 0.000 1.044 249 V CA 0.959 63.193 62.300 -0.110 0.000 1.035 249 V CB -0.564 31.132 31.823 -0.211 0.000 0.675 249 V HN 0.364 nan 8.190 nan 0.000 0.470 250 L N 0.565 121.758 121.223 -0.049 0.000 2.313 250 L HA 0.246 4.586 4.340 -0.000 0.000 0.214 250 L C 1.717 178.664 176.870 0.128 0.000 1.119 250 L CA 0.970 55.816 54.840 0.010 0.000 0.809 250 L CB -0.692 41.361 42.059 -0.010 0.000 0.933 250 L HN 0.656 nan 8.230 nan 0.000 0.449 251 G N 0.686 109.610 108.800 0.206 0.000 2.221 251 G HA2 -0.266 3.694 3.960 -0.000 0.000 0.265 251 G HA3 -0.266 3.694 3.960 -0.000 0.000 0.265 251 G C 0.351 175.405 174.900 0.258 0.000 1.041 251 G CA 0.157 45.483 45.100 0.377 0.000 0.807 251 G HN 0.523 nan 8.290 nan 0.000 0.502 252 A N -0.730 122.169 122.820 0.131 0.000 2.351 252 A HA 0.763 5.083 4.320 -0.000 0.000 0.257 252 A C -0.207 177.351 177.584 -0.043 0.000 1.087 252 A CA -0.012 52.106 52.037 0.134 0.000 0.798 252 A CB 0.500 19.569 19.000 0.116 0.000 1.033 252 A HN 0.724 nan 8.150 nan 0.000 0.488 253 F N 0.927 120.885 119.950 0.013 0.000 2.449 253 F HA 0.260 4.786 4.527 -0.000 0.000 0.342 253 F C 0.048 175.842 175.800 -0.010 0.000 1.127 253 F CA -0.513 57.465 58.000 -0.037 0.000 0.975 253 F CB 1.710 40.643 39.000 -0.112 0.000 1.146 253 F HN 0.518 nan 8.300 nan 0.000 0.444 254 D N 4.841 125.302 120.400 0.103 0.000 2.382 254 D HA 0.103 4.743 4.640 -0.000 0.000 0.240 254 D C -2.176 174.177 176.300 0.087 0.000 1.146 254 D CA -1.167 52.883 54.000 0.084 0.000 0.897 254 D CB 0.678 41.512 40.800 0.056 0.000 1.197 254 D HN 0.168 nan 8.370 nan 0.000 0.432 255 P HA 0.105 nan 4.420 nan 0.000 0.268 255 P C 0.795 178.120 177.300 0.042 0.000 1.541 255 P CA -0.029 63.103 63.100 0.054 0.000 1.093 255 P CB 0.207 31.936 31.700 0.049 0.000 1.551 256 L N 1.432 122.676 121.223 0.036 0.000 2.141 256 L HA -0.139 4.201 4.340 -0.000 0.000 0.209 256 L C 2.379 179.264 176.870 0.024 0.000 1.094 256 L CA 1.271 56.127 54.840 0.027 0.000 0.763 256 L CB -0.640 41.427 42.059 0.014 0.000 0.908 256 L HN 0.241 nan 8.230 nan 0.000 0.437 257 E N 0.634 120.845 120.200 0.019 0.000 2.051 257 E HA -0.192 4.158 4.350 -0.000 0.000 0.192 257 E C 2.345 178.957 176.600 0.021 0.000 0.991 257 E CA 1.439 57.850 56.400 0.017 0.000 0.799 257 E CB -0.160 29.547 29.700 0.012 0.000 0.748 257 E HN 0.464 nan 8.360 nan 0.000 0.449 258 A N 1.199 124.033 122.820 0.023 0.000 1.902 258 A HA -0.137 4.183 4.320 -0.000 0.000 0.217 258 A C 2.307 179.908 177.584 0.028 0.000 1.181 258 A CA 1.090 53.142 52.037 0.024 0.000 0.623 258 A CB -0.608 18.407 19.000 0.026 0.000 0.818 258 A HN 0.149 nan 8.150 nan 0.000 0.443 259 I N -0.369 120.220 120.570 0.032 0.000 2.286 259 I HA -0.214 3.956 4.170 -0.000 0.000 0.245 259 I C 2.927 179.066 176.117 0.037 0.000 1.104 259 I CA 0.891 62.212 61.300 0.034 0.000 1.397 259 I CB -0.277 37.748 38.000 0.042 0.000 1.072 259 I HN 0.335 nan 8.210 nan 0.000 0.417 260 A N 0.549 123.390 122.820 0.035 0.000 1.940 260 A HA -0.248 4.072 4.320 -0.000 0.000 0.219 260 A C 1.921 179.523 177.584 0.030 0.000 1.176 260 A CA 2.084 54.142 52.037 0.034 0.000 0.631 260 A CB -0.576 18.442 19.000 0.030 0.000 0.814 260 A HN 0.340 nan 8.150 nan 0.000 0.446 261 D N -0.255 120.160 120.400 0.026 0.000 2.117 261 D HA -0.103 4.537 4.640 -0.000 0.000 0.197 261 D C 2.080 178.399 176.300 0.031 0.000 0.987 261 D CA 1.458 55.470 54.000 0.021 0.000 0.829 261 D CB -0.452 40.358 40.800 0.016 0.000 0.961 261 D HN 0.238 nan 8.370 nan 0.000 0.460 262 V N 0.638 120.581 119.914 0.049 0.000 2.295 262 V HA -0.267 3.853 4.120 -0.000 0.000 0.246 262 V C 2.721 178.896 176.094 0.136 0.000 1.049 262 V CA 1.297 63.655 62.300 0.097 0.000 1.024 262 V CB -0.598 31.260 31.823 0.058 0.000 0.648 262 V HN 0.285 nan 8.190 nan 0.000 0.447 263 C N -0.621 118.728 119.300 0.081 0.000 2.429 263 C HA -0.209 4.251 4.460 -0.000 0.000 0.277 263 C C 2.842 177.880 174.990 0.081 0.000 1.262 263 C CA 1.507 60.578 59.018 0.088 0.000 1.733 263 C CB -1.009 26.775 27.740 0.072 0.000 2.010 263 C HN 0.659 nan 8.230 nan 0.000 0.483 264 Q N 0.473 120.299 119.800 0.044 0.000 2.084 264 Q HA -0.170 4.170 4.340 -0.000 0.000 0.202 264 Q C 2.448 178.443 176.000 -0.008 0.000 0.978 264 Q CA 1.409 57.222 55.803 0.017 0.000 0.844 264 Q CB -0.146 28.594 28.738 0.003 0.000 0.898 264 Q HN 0.605 nan 8.270 nan 0.000 0.426 265 R N -0.894 119.582 120.500 -0.039 0.000 2.120 265 R HA -0.106 4.234 4.340 -0.000 0.000 0.234 265 R C 1.473 177.607 176.300 -0.276 0.000 1.123 265 R CA 1.190 57.187 56.100 -0.173 0.000 0.975 265 R CB -0.030 30.118 30.300 -0.254 0.000 0.866 265 R HN 0.462 nan 8.270 nan 0.000 0.446 266 H N -1.394 117.679 119.070 0.004 0.000 2.652 266 H HA 0.155 4.711 4.556 -0.000 0.000 0.274 266 H C 0.810 176.161 175.328 0.040 0.000 1.021 266 H CA 0.636 56.694 56.048 0.015 0.000 1.187 266 H CB 1.110 30.869 29.762 -0.005 0.000 1.505 266 H HN 0.383 nan 8.280 nan 0.000 0.530 267 G N 1.866 110.735 108.800 0.115 0.000 2.295 267 G HA2 -0.264 3.696 3.960 -0.000 0.000 0.287 267 G HA3 -0.264 3.696 3.960 -0.000 0.000 0.287 267 G C -0.021 174.969 174.900 0.149 0.000 1.055 267 G CA 0.126 45.288 45.100 0.103 0.000 0.922 267 G HN 0.253 nan 8.290 nan 0.000 0.503 268 L N -0.774 120.547 121.223 0.163 0.000 2.334 268 L HA 0.499 4.838 4.340 -0.000 0.000 0.275 268 L C 0.946 177.957 176.870 0.234 0.000 1.036 268 L CA -1.292 53.672 54.840 0.207 0.000 0.807 268 L CB 1.139 43.298 42.059 0.167 0.000 1.231 268 L HN 0.287 nan 8.230 nan 0.000 0.438 269 W N 4.036 125.391 121.300 0.092 0.000 2.308 269 W HA 0.180 4.840 4.660 -0.000 0.000 0.324 269 W C -1.191 175.384 176.519 0.093 0.000 1.387 269 W CA -0.487 56.915 57.345 0.095 0.000 1.250 269 W CB 0.998 30.526 29.460 0.112 0.000 1.257 269 W HN 0.232 nan 8.180 nan 0.000 0.554 270 L N 7.727 129.019 121.223 0.115 0.000 2.262 270 L HA 0.232 4.572 4.340 -0.000 0.000 0.288 270 L C -0.878 176.156 176.870 0.274 0.000 1.035 270 L CA -0.435 54.512 54.840 0.180 0.000 0.820 270 L CB 0.610 42.710 42.059 0.069 0.000 1.204 270 L HN 0.441 nan 8.230 nan 0.000 0.424 271 H N 3.705 122.984 119.070 0.349 0.000 2.467 271 H HA 0.648 5.204 4.556 -0.000 0.000 0.326 271 H C -1.306 174.152 175.328 0.216 0.000 1.094 271 H CA -0.580 55.679 56.048 0.353 0.000 1.253 271 H CB 1.461 31.449 29.762 0.377 0.000 1.439 271 H HN 0.402 nan 8.280 nan 0.000 0.479 272 V N 5.428 125.119 119.914 -0.372 0.000 2.357 272 V HA 0.098 4.218 4.120 -0.000 0.000 0.284 272 V C -0.116 175.687 176.094 -0.485 0.000 1.018 272 V CA -0.881 61.240 62.300 -0.299 0.000 0.841 272 V CB 1.190 32.937 31.823 -0.128 0.000 0.991 272 V HN 0.825 nan 8.190 nan 0.000 0.437 273 D N 4.850 125.086 120.400 -0.273 0.000 2.453 273 D HA 0.348 4.988 4.640 -0.000 0.000 0.223 273 D C 0.607 176.879 176.300 -0.046 0.000 1.183 273 D CA -0.137 53.818 54.000 -0.075 0.000 0.933 273 D CB 1.262 42.122 40.800 0.099 0.000 1.038 273 D HN 0.633 nan 8.370 nan 0.000 0.513 274 A N 3.187 125.978 122.820 -0.047 0.000 2.708 274 A HA 0.501 4.821 4.320 -0.000 0.000 0.293 274 A C 1.784 179.382 177.584 0.023 0.000 1.303 274 A CA 0.303 52.292 52.037 -0.081 0.000 0.949 274 A CB -0.009 18.881 19.000 -0.183 0.000 1.121 274 A HN 0.524 nan 8.150 nan 0.000 0.542 275 A N 0.038 122.929 122.820 0.118 0.000 1.917 275 A HA -0.211 4.109 4.320 -0.000 0.000 0.219 275 A C 1.939 179.695 177.584 0.287 0.000 1.182 275 A CA 1.700 53.853 52.037 0.193 0.000 0.633 275 A CB -0.683 18.389 19.000 0.119 0.000 0.819 275 A HN 0.921 nan 8.150 nan 0.000 0.448 276 W N -0.395 120.920 121.300 0.025 0.000 2.633 276 W HA 0.082 4.742 4.660 -0.000 0.000 0.295 276 W C 2.040 178.655 176.519 0.161 0.000 1.133 276 W CA 0.613 58.019 57.345 0.102 0.000 1.490 276 W CB -0.029 29.486 29.460 0.093 0.000 1.127 276 W HN 0.354 nan 8.180 nan 0.000 0.538 277 G N 0.365 109.102 108.800 -0.106 0.000 2.650 277 G HA2 -0.085 3.875 3.960 -0.000 0.000 0.214 277 G HA3 -0.085 3.875 3.960 -0.000 0.000 0.214 277 G C 1.517 176.194 174.900 -0.371 0.000 1.136 277 G CA 0.734 45.589 45.100 -0.408 0.000 0.789 277 G HN 0.414 nan 8.290 nan 0.000 0.536 278 G N 0.934 109.441 108.800 -0.488 0.000 2.450 278 G HA2 -0.171 3.789 3.960 -0.000 0.000 0.220 278 G HA3 -0.171 3.789 3.960 -0.000 0.000 0.220 278 G C 1.965 176.043 174.900 -1.369 0.000 1.130 278 G CA 1.247 45.699 45.100 -1.080 0.000 0.760 278 G HN 0.396 nan 8.290 nan 0.000 0.557 279 S N -0.003 115.312 115.700 -0.642 0.000 2.442 279 S HA -0.079 4.391 4.470 -0.000 0.000 0.236 279 S C 2.303 176.841 174.600 -0.104 0.000 1.007 279 S CA 0.832 59.004 58.200 -0.047 0.000 0.965 279 S CB -0.032 63.315 63.200 0.246 0.000 0.773 279 S HN 0.213 nan 8.310 nan 0.000 0.504 280 V N 1.965 121.746 119.914 -0.222 0.000 2.913 280 V HA -0.086 4.034 4.120 -0.000 0.000 0.260 280 V C 1.865 177.840 176.094 -0.199 0.000 1.098 280 V CA 1.022 63.221 62.300 -0.168 0.000 1.121 280 V CB -0.844 30.803 31.823 -0.293 0.000 0.714 280 V HN 0.485 nan 8.190 nan 0.000 0.487 281 L N -0.843 120.208 121.223 -0.286 0.000 2.261 281 L HA -0.178 4.162 4.340 -0.000 0.000 0.216 281 L C 2.177 179.023 176.870 -0.039 0.000 1.114 281 L CA 0.972 55.688 54.840 -0.207 0.000 0.777 281 L CB -0.454 41.417 42.059 -0.313 0.000 0.910 281 L HN 0.318 nan 8.230 nan 0.000 0.440 282 L N -1.090 120.147 121.223 0.024 0.000 2.376 282 L HA -0.021 4.319 4.340 -0.000 0.000 0.219 282 L C 1.365 178.246 176.870 0.018 0.000 1.133 282 L CA 0.898 55.777 54.840 0.065 0.000 0.816 282 L CB -0.346 41.741 42.059 0.046 0.000 0.933 282 L HN 0.041 nan 8.230 nan 0.000 0.449 283 S N -0.832 114.858 115.700 -0.017 0.000 2.422 283 S HA 0.131 4.601 4.470 -0.000 0.000 0.298 283 S C 1.109 175.661 174.600 -0.080 0.000 1.118 283 S CA -0.695 57.485 58.200 -0.033 0.000 1.083 283 S CB 0.686 63.881 63.200 -0.009 0.000 0.971 283 S HN 0.150 nan 8.310 nan 0.000 0.478 284 Q N 3.236 122.993 119.800 -0.072 0.000 2.135 284 Q HA -0.082 4.258 4.340 -0.000 0.000 0.204 284 Q C 1.898 177.815 176.000 -0.138 0.000 0.981 284 Q CA 1.877 57.629 55.803 -0.086 0.000 0.856 284 Q CB -0.898 27.802 28.738 -0.064 0.000 0.902 284 Q HN 0.786 nan 8.270 nan 0.000 0.425 285 T N 0.290 114.708 114.554 -0.227 0.000 2.821 285 T HA -0.097 4.253 4.350 -0.000 0.000 0.267 285 T C 1.264 175.669 174.700 -0.493 0.000 1.046 285 T CA 1.180 63.036 62.100 -0.406 0.000 1.139 285 T CB -0.071 68.435 68.868 -0.603 0.000 0.871 285 T HN 0.376 nan 8.240 nan 0.000 0.454 286 H N 0.292 119.181 119.070 -0.302 0.000 2.827 286 H HA 0.204 4.760 4.556 -0.000 0.000 0.269 286 H C 2.228 177.170 175.328 -0.642 0.000 1.031 286 H CA 0.166 55.866 56.048 -0.580 0.000 1.202 286 H CB 0.207 29.390 29.762 -0.966 0.000 1.511 286 H HN 0.435 nan 8.280 nan 0.000 0.517 287 R N 1.571 121.895 120.500 -0.292 0.000 2.200 287 R HA -0.152 4.188 4.340 -0.000 0.000 0.234 287 R C 1.682 177.791 176.300 -0.319 0.000 1.127 287 R CA 1.671 57.597 56.100 -0.291 0.000 0.989 287 R CB -1.078 29.119 30.300 -0.173 0.000 0.869 287 R HN 0.457 nan 8.270 nan 0.000 0.459 288 H N 0.489 119.425 119.070 -0.223 0.000 2.489 288 H HA -0.007 4.549 4.556 -0.000 0.000 0.295 288 H C 1.763 176.952 175.328 -0.232 0.000 1.082 288 H CA 1.216 57.147 56.048 -0.195 0.000 1.295 288 H CB -0.355 29.305 29.762 -0.170 0.000 1.380 288 H HN 0.174 nan 8.280 nan 0.000 0.548 289 L N -0.198 120.524 121.223 -0.836 0.000 2.261 289 L HA -0.118 4.221 4.340 -0.000 0.000 0.216 289 L C 0.965 177.578 176.870 -0.427 0.000 1.114 289 L CA 0.841 55.219 54.840 -0.770 0.000 0.777 289 L CB -0.149 41.054 42.059 -1.428 0.000 0.910 289 L HN 0.333 nan 8.230 nan 0.000 0.440 290 L N -1.544 119.487 121.223 -0.320 0.000 2.818 290 L HA 0.177 4.517 4.340 -0.000 0.000 0.243 290 L C -0.083 176.716 176.870 -0.118 0.000 1.185 290 L CA -0.128 54.618 54.840 -0.156 0.000 0.988 290 L CB -0.186 41.758 42.059 -0.191 0.000 1.292 290 L HN -0.072 nan 8.230 nan 0.000 0.519 291 D N 1.462 121.804 120.400 -0.097 0.000 2.531 291 D HA 0.291 4.931 4.640 -0.000 0.000 0.239 291 D C 1.360 177.638 176.300 -0.036 0.000 1.144 291 D CA 1.648 55.616 54.000 -0.054 0.000 0.869 291 D CB 1.014 41.801 40.800 -0.022 0.000 1.160 291 D HN 0.357 nan 8.370 nan 0.000 0.484 292 G N 2.496 111.277 108.800 -0.032 0.000 2.213 292 G HA2 -0.311 3.649 3.960 -0.000 0.000 0.226 292 G HA3 -0.311 3.649 3.960 -0.000 0.000 0.226 292 G C 1.158 176.050 174.900 -0.013 0.000 0.992 292 G CA 0.146 45.240 45.100 -0.011 0.000 0.632 292 G HN 0.564 nan 8.290 nan 0.000 0.511 293 I N 1.580 122.115 120.570 -0.057 0.000 2.454 293 I HA -0.191 3.979 4.170 -0.000 0.000 0.254 293 I C 2.847 178.915 176.117 -0.082 0.000 1.156 293 I CA 2.264 63.511 61.300 -0.087 0.000 1.433 293 I CB 0.002 37.900 38.000 -0.170 0.000 1.082 293 I HN 0.483 nan 8.210 nan 0.000 0.432 294 Q N 1.147 120.903 119.800 -0.073 0.000 2.437 294 Q HA -0.208 4.132 4.340 -0.000 0.000 0.210 294 Q C 1.632 177.853 176.000 0.369 0.000 0.972 294 Q CA 1.243 57.089 55.803 0.071 0.000 0.903 294 Q CB -0.576 28.189 28.738 0.045 0.000 0.967 294 Q HN 0.525 nan 8.270 nan 0.000 0.486 295 R N 0.535 121.145 120.500 0.182 0.000 2.299 295 R HA 0.300 4.640 4.340 -0.000 0.000 0.197 295 R C 0.788 177.166 176.300 0.130 0.000 0.971 295 R CA 0.361 56.544 56.100 0.139 0.000 1.030 295 R CB 0.116 30.456 30.300 0.067 0.000 0.932 295 R HN 0.256 nan 8.270 nan 0.000 0.477 296 A N 1.185 124.131 122.820 0.211 0.000 2.425 296 A HA 0.013 4.333 4.320 -0.000 0.000 0.242 296 A C 0.394 178.039 177.584 0.101 0.000 1.077 296 A CA -0.228 51.908 52.037 0.165 0.000 0.781 296 A CB 0.390 19.510 19.000 0.200 0.000 1.020 296 A HN 0.104 nan 8.150 nan 0.000 0.494 297 D N -0.357 119.924 120.400 -0.199 0.000 2.213 297 D HA 0.036 4.676 4.640 -0.000 0.000 0.205 297 D C 0.497 176.658 176.300 -0.233 0.000 0.961 297 D CA 1.703 55.347 54.000 -0.592 0.000 0.853 297 D CB 0.142 39.974 40.800 -1.613 0.000 0.967 297 D HN 0.619 nan 8.370 nan 0.000 0.496 298 S N -0.448 115.371 115.700 0.199 0.000 2.556 298 S HA 0.594 5.064 4.470 -0.000 0.000 0.271 298 S C -0.901 173.977 174.600 0.464 0.000 1.135 298 S CA -0.853 57.664 58.200 0.528 0.000 0.858 298 S CB 2.752 66.457 63.200 0.842 0.000 1.114 298 S HN -0.152 nan 8.310 nan 0.000 0.468 299 V N 1.082 121.246 119.914 0.417 0.000 2.623 299 V HA 0.814 4.934 4.120 -0.000 0.000 0.304 299 V C -0.002 176.258 176.094 0.277 0.000 1.054 299 V CA -0.517 61.899 62.300 0.193 0.000 0.882 299 V CB 1.557 33.447 31.823 0.111 0.000 1.002 299 V HN 1.319 nan 8.190 nan 0.000 0.424 300 A N 4.769 127.720 122.820 0.218 0.000 2.290 300 A HA 0.831 5.151 4.320 -0.000 0.000 0.310 300 A C -1.338 176.421 177.584 0.291 0.000 1.202 300 A CA -0.377 51.839 52.037 0.297 0.000 0.837 300 A CB 0.866 20.078 19.000 0.352 0.000 1.139 300 A HN 0.974 nan 8.150 nan 0.000 0.509 301 W N 2.780 124.125 121.300 0.076 0.000 3.211 301 W HA 0.480 5.140 4.660 -0.000 0.000 0.335 301 W C -1.962 174.600 176.519 0.071 0.000 1.113 301 W CA -1.582 55.801 57.345 0.064 0.000 1.235 301 W CB 1.400 30.892 29.460 0.053 0.000 1.365 301 W HN 0.578 nan 8.180 nan 0.000 0.476 302 N N 7.492 126.479 118.700 0.477 0.000 2.707 302 N HA 0.291 5.031 4.740 -0.000 0.000 0.235 302 N C -1.995 173.624 175.510 0.182 0.000 1.028 302 N CA -1.949 51.179 53.050 0.131 0.000 0.906 302 N CB 1.699 40.041 38.487 -0.241 0.000 1.131 302 N HN 0.073 nan 8.380 nan 0.000 0.509 303 P HA -0.144 nan 4.420 nan 0.000 0.223 303 P C 0.779 178.197 177.300 0.197 0.000 1.144 303 P CA 1.144 64.347 63.100 0.171 0.000 0.783 303 P CB 0.059 31.811 31.700 0.086 0.000 0.771 304 H N -1.906 117.286 119.070 0.203 0.000 2.545 304 H HA 0.086 4.642 4.556 -0.000 0.000 0.282 304 H C 1.330 176.789 175.328 0.218 0.000 1.020 304 H CA 0.807 56.943 56.048 0.147 0.000 1.243 304 H CB -0.560 29.233 29.762 0.051 0.000 1.377 304 H HN 0.053 nan 8.280 nan 0.000 0.581 305 K N -0.118 120.400 120.400 0.196 0.000 2.311 305 K HA 0.089 4.409 4.320 -0.000 0.000 0.206 305 K C 1.704 178.583 176.600 0.465 0.000 1.056 305 K CA 0.468 56.995 56.287 0.401 0.000 1.051 305 K CB -0.292 32.466 32.500 0.430 0.000 1.299 305 K HN 0.117 nan 8.250 nan 0.000 0.461 306 L N 1.664 123.197 121.223 0.515 0.000 2.201 306 L HA -0.027 4.312 4.340 -0.000 0.000 0.212 306 L C 1.741 178.758 176.870 0.246 0.000 1.105 306 L CA 1.453 56.519 54.840 0.377 0.000 0.775 306 L CB -0.221 41.945 42.059 0.180 0.000 0.913 306 L HN 0.263 nan 8.230 nan 0.000 0.440 307 L N -0.366 120.999 121.223 0.236 0.000 2.554 307 L HA 0.193 4.533 4.340 -0.000 0.000 0.226 307 L C 1.402 178.355 176.870 0.138 0.000 1.137 307 L CA 0.484 55.409 54.840 0.142 0.000 0.863 307 L CB -0.563 41.557 42.059 0.101 0.000 0.985 307 L HN 0.347 nan 8.230 nan 0.000 0.451 308 A N 0.063 123.001 122.820 0.197 0.000 2.925 308 A HA -0.264 4.056 4.320 -0.000 0.000 0.265 308 A C 1.644 179.319 177.584 0.151 0.000 1.419 308 A CA 0.743 52.892 52.037 0.187 0.000 0.807 308 A CB -1.774 17.317 19.000 0.151 0.000 1.043 308 A HN 0.459 nan 8.150 nan 0.000 0.600 309 A N -0.713 122.205 122.820 0.164 0.000 2.015 309 A HA 0.497 4.817 4.320 -0.000 0.000 0.219 309 A C 2.290 179.932 177.584 0.097 0.000 1.163 309 A CA 1.910 54.029 52.037 0.136 0.000 0.646 309 A CB -0.396 18.697 19.000 0.154 0.000 0.806 309 A HN 2.921 nan 8.150 nan 0.000 0.448 310 G N -1.720 107.134 108.800 0.089 0.000 2.885 310 G HA2 0.178 4.138 3.960 -0.000 0.000 0.685 310 G HA3 0.178 4.138 3.960 -0.000 0.000 0.685 310 G C -0.847 174.002 174.900 -0.084 0.000 1.216 310 G CA -0.679 44.412 45.100 -0.015 0.000 0.790 310 G HN 0.477 nan 8.290 nan 0.000 0.631 311 L N 1.744 122.797 121.223 -0.283 0.000 2.490 311 L HA 0.321 4.661 4.340 -0.000 0.000 0.274 311 L C 1.244 177.962 176.870 -0.253 0.000 1.201 311 L CA 0.828 55.386 54.840 -0.470 0.000 0.869 311 L CB 0.747 42.466 42.059 -0.566 0.000 1.123 311 L HN 0.675 nan 8.230 nan 0.000 0.484 312 Q N 1.731 121.417 119.800 -0.189 0.000 2.222 312 Q HA 0.493 4.833 4.340 -0.000 0.000 0.252 312 Q C -0.922 175.144 176.000 0.109 0.000 0.926 312 Q CA -0.484 55.229 55.803 -0.151 0.000 0.899 312 Q CB 2.070 30.780 28.738 -0.046 0.000 1.250 312 Q HN 0.654 nan 8.270 nan 0.000 0.441 313 C N 2.211 121.776 119.300 0.441 0.000 3.233 313 C HA 0.475 4.935 4.460 -0.000 0.000 0.299 313 C C -1.185 174.082 174.990 0.461 0.000 1.060 313 C CA -0.347 58.891 59.018 0.366 0.000 1.382 313 C CB -0.532 27.354 27.740 0.245 0.000 1.828 313 C HN 0.784 nan 8.230 nan 0.000 0.530 314 S N 3.191 119.194 115.700 0.505 0.000 2.779 314 S HA 0.824 5.294 4.470 -0.000 0.000 0.293 314 S C -0.509 174.220 174.600 0.214 0.000 1.150 314 S CA -0.310 58.087 58.200 0.327 0.000 1.057 314 S CB 1.469 64.856 63.200 0.312 0.000 1.021 314 S HN 1.284 nan 8.310 nan 0.000 0.485 315 A N 2.742 125.545 122.820 -0.029 0.000 2.312 315 A HA 0.831 5.151 4.320 -0.000 0.000 0.328 315 A C -0.755 176.808 177.584 -0.036 0.000 1.158 315 A CA -0.774 51.049 52.037 -0.356 0.000 0.821 315 A CB 0.948 19.572 19.000 -0.628 0.000 1.170 315 A HN 0.985 nan 8.150 nan 0.000 0.490 316 L N 2.637 123.840 121.223 -0.033 0.000 2.305 316 L HA 0.662 5.001 4.340 -0.000 0.000 0.284 316 L C -1.097 175.839 176.870 0.111 0.000 1.013 316 L CA -0.120 54.796 54.840 0.127 0.000 0.819 316 L CB 0.941 43.098 42.059 0.163 0.000 1.227 316 L HN 0.610 nan 8.230 nan 0.000 0.417 317 L N 6.171 127.535 121.223 0.236 0.000 2.346 317 L HA 0.635 4.975 4.340 -0.000 0.000 0.276 317 L C -0.882 176.257 176.870 0.449 0.000 1.006 317 L CA -0.629 54.400 54.840 0.315 0.000 0.817 317 L CB 1.751 44.030 42.059 0.365 0.000 1.272 317 L HN 0.517 nan 8.230 nan 0.000 0.421 318 L N 1.964 123.372 121.223 0.308 0.000 2.388 318 L HA 0.357 4.697 4.340 -0.000 0.000 0.264 318 L C 0.580 177.225 176.870 -0.375 0.000 0.998 318 L CA -0.598 54.270 54.840 0.047 0.000 0.817 318 L CB 2.286 44.384 42.059 0.065 0.000 1.338 318 L HN 0.666 nan 8.230 nan 0.000 0.414 319 Q N -0.726 118.528 119.800 -0.910 0.000 2.451 319 Q HA 0.006 4.346 4.340 -0.000 0.000 0.206 319 Q C -0.025 175.705 176.000 -0.449 0.000 0.947 319 Q CA -0.019 55.184 55.803 -0.999 0.000 0.937 319 Q CB -0.031 27.898 28.738 -1.349 0.000 1.025 319 Q HN 0.643 nan 8.270 nan 0.000 0.511 320 D N 2.157 122.387 120.400 -0.284 0.000 2.525 320 D HA -0.074 4.566 4.640 -0.000 0.000 0.235 320 D C 0.224 176.466 176.300 -0.096 0.000 1.137 320 D CA 1.096 55.013 54.000 -0.138 0.000 0.868 320 D CB 0.837 41.619 40.800 -0.029 0.000 1.180 320 D HN 0.298 nan 8.370 nan 0.000 0.465 321 T N -0.770 113.740 114.554 -0.074 0.000 3.339 321 T HA 0.167 4.516 4.350 -0.000 0.000 0.292 321 T C 0.695 175.380 174.700 -0.024 0.000 1.012 321 T CA -0.034 62.038 62.100 -0.048 0.000 0.937 321 T CB -0.253 68.582 68.868 -0.055 0.000 1.164 321 T HN 0.244 nan 8.240 nan 0.000 0.509 322 S N 0.809 116.503 115.700 -0.010 0.000 2.593 322 S HA 0.228 4.698 4.470 -0.000 0.000 0.236 322 S C 0.616 175.226 174.600 0.017 0.000 0.991 322 S CA -0.486 57.719 58.200 0.007 0.000 0.963 322 S CB -0.483 62.730 63.200 0.021 0.000 0.865 322 S HN 0.326 nan 8.310 nan 0.000 0.488 323 N N 0.771 119.476 118.700 0.009 0.000 2.721 323 N HA -0.148 4.592 4.740 -0.000 0.000 0.249 323 N C 0.452 175.967 175.510 0.009 0.000 1.072 323 N CA 0.756 53.810 53.050 0.006 0.000 0.710 323 N CB -1.727 36.761 38.487 0.002 0.000 0.993 323 N HN 0.529 nan 8.380 nan 0.000 0.547 324 L N 0.038 121.279 121.223 0.028 0.000 2.042 324 L HA -0.085 4.255 4.340 -0.000 0.000 0.210 324 L C 2.115 178.941 176.870 -0.072 0.000 1.076 324 L CA 1.744 56.608 54.840 0.040 0.000 0.749 324 L CB -0.380 41.749 42.059 0.116 0.000 0.893 324 L HN 0.451 nan 8.230 nan 0.000 0.432 325 L N -0.658 120.528 121.223 -0.061 0.000 1.989 325 L HA -0.291 4.049 4.340 -0.000 0.000 0.211 325 L C 2.645 179.439 176.870 -0.126 0.000 1.071 325 L CA 1.878 56.648 54.840 -0.117 0.000 0.749 325 L CB -0.597 41.447 42.059 -0.025 0.000 0.890 325 L HN 0.254 nan 8.230 nan 0.000 0.431 326 K N -0.496 119.869 120.400 -0.059 0.000 2.097 326 K HA -0.154 4.166 4.320 -0.000 0.000 0.206 326 K C 2.245 178.801 176.600 -0.073 0.000 1.049 326 K CA 1.204 57.468 56.287 -0.038 0.000 0.933 326 K CB -0.129 32.362 32.500 -0.016 0.000 0.717 326 K HN 0.286 nan 8.250 nan 0.000 0.442 327 R N 0.169 120.610 120.500 -0.098 0.000 2.075 327 R HA -0.100 4.240 4.340 -0.000 0.000 0.232 327 R C 2.629 178.701 176.300 -0.380 0.000 1.126 327 R CA 1.287 57.325 56.100 -0.103 0.000 0.963 327 R CB -0.609 29.715 30.300 0.039 0.000 0.858 327 R HN 0.288 nan 8.270 nan 0.000 0.435 328 C N -0.216 118.677 119.300 -0.678 0.000 2.466 328 C HA -0.059 4.401 4.460 -0.000 0.000 0.278 328 C C 2.036 176.688 174.990 -0.564 0.000 1.288 328 C CA 0.815 59.135 59.018 -1.164 0.000 1.722 328 C CB -0.633 26.455 27.740 -1.086 0.000 2.017 328 C HN 0.493 nan 8.230 nan 0.000 0.488 329 H N -0.896 118.059 119.070 -0.192 0.000 2.622 329 H HA 0.254 4.810 4.556 -0.000 0.000 0.269 329 H C 1.386 176.698 175.328 -0.027 0.000 0.977 329 H CA 0.057 56.069 56.048 -0.060 0.000 1.179 329 H CB 0.037 29.804 29.762 0.008 0.000 1.458 329 H HN 0.524 nan 8.280 nan 0.000 0.531 330 G N 0.434 109.264 108.800 0.050 0.000 2.527 330 G HA2 0.212 4.171 3.960 -0.000 0.000 0.248 330 G HA3 0.212 4.171 3.960 -0.000 0.000 0.248 330 G C -0.124 174.808 174.900 0.053 0.000 1.231 330 G CA -0.432 44.697 45.100 0.049 0.000 0.838 330 G HN 0.146 nan 8.290 nan 0.000 0.570 331 S N -0.401 115.335 115.700 0.059 0.000 2.632 331 S HA 0.227 4.697 4.470 -0.000 0.000 0.271 331 S C 0.299 174.933 174.600 0.056 0.000 1.260 331 S CA -0.438 57.797 58.200 0.058 0.000 1.010 331 S CB 1.420 64.657 63.200 0.061 0.000 0.965 331 S HN 0.689 nan 8.310 nan 0.000 0.534 332 Q N 1.170 121.004 119.800 0.057 0.000 2.293 332 Q HA 0.474 4.814 4.340 -0.000 0.000 0.263 332 Q C -0.362 175.675 176.000 0.063 0.000 1.002 332 Q CA -0.441 55.403 55.803 0.068 0.000 0.910 332 Q CB 0.459 29.239 28.738 0.071 0.000 1.185 332 Q HN 0.743 nan 8.270 nan 0.000 0.401 333 A N 3.569 126.440 122.820 0.085 0.000 2.340 333 A HA 0.454 4.774 4.320 -0.000 0.000 0.268 333 A C -0.233 177.391 177.584 0.066 0.000 1.100 333 A CA -0.457 51.627 52.037 0.079 0.000 0.803 333 A CB 0.886 19.943 19.000 0.094 0.000 1.043 333 A HN 0.797 nan 8.150 nan 0.000 0.488 334 S N -0.295 115.401 115.700 -0.007 0.000 2.632 334 S HA 0.498 4.968 4.470 -0.000 0.000 0.267 334 S C -0.472 174.100 174.600 -0.048 0.000 1.276 334 S CA 0.108 58.210 58.200 -0.163 0.000 0.998 334 S CB 0.256 63.392 63.200 -0.108 0.000 0.953 334 S HN 0.832 nan 8.310 nan 0.000 0.547 335 Y N -1.145 119.174 120.300 0.033 0.000 2.811 335 Y HA 0.470 5.020 4.550 -0.000 0.000 0.245 335 Y C 0.068 175.955 175.900 -0.021 0.000 1.041 335 Y CA -0.457 57.651 58.100 0.013 0.000 1.110 335 Y CB -0.914 37.546 38.460 -0.001 0.000 1.212 335 Y HN 0.333 nan 8.280 nan 0.000 0.635 336 L N 0.205 121.429 121.223 0.001 0.000 2.127 336 L HA 0.228 4.568 4.340 -0.000 0.000 0.203 336 L C -0.214 176.444 176.870 -0.353 0.000 1.080 336 L CA 1.315 56.075 54.840 -0.134 0.000 0.768 336 L CB -0.036 41.976 42.059 -0.079 0.000 0.924 336 L HN 0.237 nan 8.230 nan 0.000 0.444 337 F N -0.666 119.305 119.950 0.035 0.000 2.529 337 F HA 0.362 4.889 4.527 -0.000 0.000 0.320 337 F C -0.074 175.747 175.800 0.036 0.000 1.118 337 F CA -1.420 56.599 58.000 0.032 0.000 0.915 337 F CB 1.129 40.141 39.000 0.019 0.000 1.161 337 F HN -0.052 nan 8.300 nan 0.000 0.445 338 Q N 2.778 122.689 119.800 0.185 0.000 2.286 338 Q HA 0.165 4.505 4.340 -0.000 0.000 0.290 338 Q C -0.930 175.143 176.000 0.121 0.000 1.049 338 Q CA -0.386 55.489 55.803 0.121 0.000 0.923 338 Q CB 0.551 29.338 28.738 0.082 0.000 1.183 338 Q HN 0.403 nan 8.270 nan 0.000 0.383 339 Q N 2.405 122.255 119.800 0.082 0.000 2.256 339 Q HA 0.227 4.567 4.340 -0.000 0.000 0.254 339 Q C -0.821 175.200 176.000 0.035 0.000 0.916 339 Q CA -0.196 55.641 55.803 0.056 0.000 0.932 339 Q CB 1.206 29.964 28.738 0.034 0.000 1.207 339 Q HN 0.617 nan 8.270 nan 0.000 0.426 340 D N 2.743 123.171 120.400 0.047 0.000 2.590 340 D HA 0.135 4.775 4.640 -0.000 0.000 0.280 340 D C -0.179 176.160 176.300 0.064 0.000 1.197 340 D CA -0.239 53.791 54.000 0.049 0.000 0.967 340 D CB 0.788 41.629 40.800 0.068 0.000 0.987 340 D HN 0.149 nan 8.370 nan 0.000 0.508 341 K N 0.901 121.284 120.400 -0.028 0.000 2.326 341 K HA 0.136 4.456 4.320 -0.000 0.000 0.275 341 K C 0.963 177.511 176.600 -0.087 0.000 1.018 341 K CA -0.293 55.914 56.287 -0.134 0.000 0.962 341 K CB 0.806 33.056 32.500 -0.416 0.000 0.953 341 K HN 0.281 nan 8.250 nan 0.000 0.475 342 F N -0.140 119.795 119.950 -0.026 0.000 2.664 342 F HA 0.182 4.709 4.527 -0.000 0.000 0.303 342 F C 0.067 175.935 175.800 0.114 0.000 1.092 342 F CA -0.953 57.074 58.000 0.046 0.000 1.305 342 F CB -0.222 38.833 39.000 0.091 0.000 1.054 342 F HN 0.445 nan 8.300 nan 0.000 0.565 343 Y N -1.863 118.247 120.300 -0.317 0.000 2.638 343 Y HA 0.558 5.108 4.550 -0.000 0.000 0.339 343 Y C -0.855 174.931 175.900 -0.191 0.000 1.084 343 Y CA -2.410 55.549 58.100 -0.235 0.000 1.068 343 Y CB 0.429 38.701 38.460 -0.313 0.000 1.294 343 Y HN -0.140 nan 8.280 nan 0.000 0.480 344 D N 1.108 121.489 120.400 -0.032 0.000 2.348 344 D HA 0.104 4.744 4.640 -0.000 0.000 0.259 344 D C 0.423 176.676 176.300 -0.078 0.000 1.296 344 D CA 0.188 54.133 54.000 -0.093 0.000 0.931 344 D CB 1.044 41.805 40.800 -0.064 0.000 1.067 344 D HN 0.539 nan 8.370 nan 0.000 0.503 345 V N 3.899 123.661 119.914 -0.253 0.000 3.573 345 V HA -0.005 4.115 4.120 -0.000 0.000 0.270 345 V C 2.183 178.237 176.094 -0.067 0.000 1.221 345 V CA 0.929 63.106 62.300 -0.205 0.000 1.163 345 V CB -0.533 31.089 31.823 -0.335 0.000 0.847 345 V HN 0.645 nan 8.190 nan 0.000 0.468 346 A N 0.194 122.981 122.820 -0.055 0.000 2.067 346 A HA -0.037 4.283 4.320 -0.000 0.000 0.219 346 A C 2.075 179.653 177.584 -0.011 0.000 1.158 346 A CA 1.132 53.148 52.037 -0.034 0.000 0.661 346 A CB -0.309 18.669 19.000 -0.037 0.000 0.801 346 A HN 0.538 nan 8.150 nan 0.000 0.452 347 L N -0.261 120.967 121.223 0.009 0.000 2.275 347 L HA -0.068 4.272 4.340 -0.000 0.000 0.215 347 L C 0.034 176.931 176.870 0.044 0.000 1.119 347 L CA 0.202 55.056 54.840 0.024 0.000 0.790 347 L CB -0.564 41.503 42.059 0.014 0.000 0.919 347 L HN 0.245 nan 8.230 nan 0.000 0.443 348 D N -0.347 120.078 120.400 0.042 0.000 2.339 348 D HA 0.080 4.720 4.640 -0.000 0.000 0.245 348 D C 1.196 177.468 176.300 -0.047 0.000 1.115 348 D CA 0.343 54.340 54.000 -0.004 0.000 0.917 348 D CB 1.375 42.153 40.800 -0.035 0.000 1.192 348 D HN 0.034 nan 8.370 nan 0.000 0.428 349 T N -2.911 111.597 114.554 -0.077 0.000 3.091 349 T HA 0.237 4.587 4.350 -0.000 0.000 0.277 349 T C 1.696 176.363 174.700 -0.055 0.000 0.996 349 T CA -0.009 62.068 62.100 -0.038 0.000 0.897 349 T CB 0.209 69.090 68.868 0.021 0.000 1.109 349 T HN 0.315 nan 8.240 nan 0.000 0.534 350 G N 2.067 110.752 108.800 -0.192 0.000 2.469 350 G HA2 -0.211 3.749 3.960 -0.000 0.000 0.220 350 G HA3 -0.211 3.749 3.960 -0.000 0.000 0.220 350 G C 1.208 176.117 174.900 0.015 0.000 1.136 350 G CA 1.002 46.028 45.100 -0.123 0.000 0.759 350 G HN 0.468 nan 8.290 nan 0.000 0.562 351 D N 0.150 120.544 120.400 -0.010 0.000 2.348 351 D HA 0.021 4.661 4.640 -0.000 0.000 0.216 351 D C 2.276 178.615 176.300 0.065 0.000 0.970 351 D CA 0.512 54.532 54.000 0.033 0.000 0.889 351 D CB 0.020 40.825 40.800 0.009 0.000 0.912 351 D HN 0.337 nan 8.370 nan 0.000 0.524 352 K N 0.240 120.670 120.400 0.050 0.000 2.418 352 K HA 0.048 4.368 4.320 -0.000 0.000 0.195 352 K C 0.744 177.409 176.600 0.108 0.000 1.035 352 K CA 0.200 56.528 56.287 0.069 0.000 1.003 352 K CB 0.845 33.356 32.500 0.018 0.000 0.793 352 K HN 0.078 nan 8.250 nan 0.000 0.494 353 V N -2.749 117.201 119.914 0.060 0.000 3.001 353 V HA 0.254 4.374 4.120 -0.000 0.000 0.314 353 V C 0.792 176.902 176.094 0.027 0.000 1.099 353 V CA -0.985 61.300 62.300 -0.025 0.000 0.989 353 V CB 1.692 33.543 31.823 0.048 0.000 1.040 353 V HN -0.121 nan 8.190 nan 0.000 0.434 354 V N -1.398 118.551 119.914 0.059 0.000 3.608 354 V HA 0.249 4.369 4.120 -0.000 0.000 0.269 354 V C 0.928 177.070 176.094 0.081 0.000 1.245 354 V CA 0.341 62.667 62.300 0.042 0.000 1.138 354 V CB -1.140 30.665 31.823 -0.029 0.000 0.841 354 V HN 0.936 nan 8.190 nan 0.000 0.451 355 Q N -0.839 119.034 119.800 0.122 0.000 2.492 355 Q HA 0.223 4.563 4.340 -0.000 0.000 0.238 355 Q C 0.672 176.739 176.000 0.110 0.000 1.045 355 Q CA 0.516 56.381 55.803 0.104 0.000 0.934 355 Q CB 1.693 30.503 28.738 0.119 0.000 1.276 355 Q HN 0.566 nan 8.270 nan 0.000 0.521 356 C N 0.428 119.776 119.300 0.079 0.000 3.587 356 C HA 0.396 4.856 4.460 -0.000 0.000 0.192 356 C C 1.042 176.041 174.990 0.014 0.000 2.277 356 C CA 0.552 59.613 59.018 0.072 0.000 1.183 356 C CB -0.248 27.499 27.740 0.011 0.000 1.517 356 C HN 0.965 nan 8.230 nan 0.000 0.705 357 G N 1.000 109.759 108.800 -0.069 0.000 2.432 357 G HA2 0.458 4.418 3.960 -0.000 0.000 0.239 357 G HA3 0.458 4.418 3.960 -0.000 0.000 0.239 357 G C -0.519 174.387 174.900 0.009 0.000 1.291 357 G CA 0.068 45.120 45.100 -0.079 0.000 0.863 357 G HN 0.856 nan 8.290 nan 0.000 0.560 358 R N 1.141 121.658 120.500 0.029 0.000 2.548 358 R HA 0.307 4.646 4.340 -0.000 0.000 0.280 358 R C 0.073 176.380 176.300 0.011 0.000 1.061 358 R CA -0.844 55.285 56.100 0.049 0.000 0.915 358 R CB 1.545 31.908 30.300 0.105 0.000 1.210 358 R HN 0.606 nan 8.270 nan 0.000 0.442 359 R N 1.754 122.247 120.500 -0.013 0.000 2.643 359 R HA 0.138 4.478 4.340 -0.000 0.000 0.270 359 R C -0.404 175.832 176.300 -0.107 0.000 1.061 359 R CA -0.164 55.897 56.100 -0.064 0.000 1.107 359 R CB 0.864 31.125 30.300 -0.066 0.000 0.999 359 R HN 0.293 nan 8.270 nan 0.000 0.460 360 V N 3.967 123.762 119.914 -0.199 0.000 2.405 360 V HA -0.009 4.111 4.120 -0.000 0.000 0.264 360 V C 0.360 176.263 176.094 -0.319 0.000 1.048 360 V CA 0.569 62.676 62.300 -0.322 0.000 0.966 360 V CB 1.028 32.475 31.823 -0.626 0.000 1.015 360 V HN 0.771 nan 8.190 nan 0.000 0.477 361 D N 2.253 122.443 120.400 -0.350 0.000 2.441 361 D HA 0.030 4.670 4.640 -0.000 0.000 0.210 361 D C 1.747 177.752 176.300 -0.490 0.000 1.102 361 D CA 0.604 54.373 54.000 -0.384 0.000 0.840 361 D CB 0.546 41.119 40.800 -0.379 0.000 0.990 361 D HN 0.788 nan 8.370 nan 0.000 0.505 362 C N -0.199 118.800 119.300 -0.501 0.000 2.467 362 C HA 0.137 4.597 4.460 -0.000 0.000 0.279 362 C C 2.454 177.409 174.990 -0.059 0.000 1.347 362 C CA -0.206 58.604 59.018 -0.347 0.000 1.748 362 C CB -1.128 26.477 27.740 -0.226 0.000 1.977 362 C HN 0.164 nan 8.230 nan 0.000 0.501 363 L N 3.006 124.185 121.223 -0.073 0.000 2.056 363 L HA -0.090 4.250 4.340 -0.000 0.000 0.207 363 L C 2.889 179.874 176.870 0.192 0.000 1.078 363 L CA 2.485 57.389 54.840 0.107 0.000 0.749 363 L CB -0.853 41.233 42.059 0.045 0.000 0.901 363 L HN 0.539 nan 8.230 nan 0.000 0.433 364 K N -0.856 119.589 120.400 0.075 0.000 2.097 364 K HA -0.214 4.106 4.320 -0.000 0.000 0.206 364 K C 2.070 178.768 176.600 0.165 0.000 1.049 364 K CA 1.878 58.228 56.287 0.106 0.000 0.933 364 K CB -0.931 31.593 32.500 0.040 0.000 0.717 364 K HN 0.335 nan 8.250 nan 0.000 0.442 365 L N 0.585 121.911 121.223 0.171 0.000 2.044 365 L HA -0.006 4.334 4.340 -0.000 0.000 0.205 365 L C 2.327 179.419 176.870 0.370 0.000 1.075 365 L CA 1.499 56.490 54.840 0.252 0.000 0.747 365 L CB -0.843 41.365 42.059 0.249 0.000 0.903 365 L HN 0.410 nan 8.230 nan 0.000 0.435 366 W N -0.251 121.142 121.300 0.153 0.000 2.338 366 W HA -0.268 4.392 4.660 -0.000 0.000 0.304 366 W C 2.283 178.896 176.519 0.156 0.000 1.212 366 W CA 2.060 59.489 57.345 0.141 0.000 1.264 366 W CB -0.274 29.228 29.460 0.069 0.000 1.142 366 W HN 0.262 nan 8.180 nan 0.000 0.512 367 L N 0.758 122.180 121.223 0.331 0.000 2.056 367 L HA -0.153 4.187 4.340 -0.000 0.000 0.207 367 L C 2.639 179.506 176.870 -0.006 0.000 1.078 367 L CA 2.418 57.318 54.840 0.101 0.000 0.749 367 L CB -0.948 41.279 42.059 0.280 0.000 0.901 367 L HN 0.216 nan 8.230 nan 0.000 0.433 368 M N -2.301 117.365 119.600 0.111 0.000 2.117 368 M HA -0.271 4.209 4.480 -0.000 0.000 0.262 368 M C 2.161 178.467 176.300 0.010 0.000 1.065 368 M CA 1.857 57.203 55.300 0.077 0.000 1.114 368 M CB -0.479 32.197 32.600 0.126 0.000 1.361 368 M HN 0.469 nan 8.290 nan 0.000 0.408 369 W N 1.676 122.903 121.300 -0.123 0.000 2.388 369 W HA -0.131 4.529 4.660 -0.000 0.000 0.294 369 W C 2.064 178.424 176.519 -0.264 0.000 1.212 369 W CA 1.183 58.439 57.345 -0.147 0.000 1.271 369 W CB -0.390 29.008 29.460 -0.102 0.000 1.126 369 W HN 0.189 nan 8.180 nan 0.000 0.535 370 K N 0.223 120.512 120.400 -0.184 0.000 2.057 370 K HA -0.129 4.191 4.320 -0.000 0.000 0.207 370 K C 2.129 178.584 176.600 -0.241 0.000 1.049 370 K CA 1.661 57.737 56.287 -0.350 0.000 0.931 370 K CB -1.048 31.034 32.500 -0.696 0.000 0.714 370 K HN 0.115 nan 8.250 nan 0.000 0.440 371 A N 1.235 123.869 122.820 -0.311 0.000 1.898 371 A HA -0.152 4.168 4.320 -0.000 0.000 0.216 371 A C 2.123 179.565 177.584 -0.236 0.000 1.181 371 A CA 1.231 53.019 52.037 -0.414 0.000 0.620 371 A CB -0.192 18.154 19.000 -1.089 0.000 0.819 371 A HN 0.231 nan 8.150 nan 0.000 0.442 372 Q N -1.139 118.563 119.800 -0.163 0.000 2.250 372 Q HA 0.235 4.575 4.340 -0.000 0.000 0.200 372 Q C 1.219 177.193 176.000 -0.042 0.000 0.941 372 Q CA 0.798 56.545 55.803 -0.094 0.000 0.872 372 Q CB -0.485 28.188 28.738 -0.108 0.000 0.965 372 Q HN 0.826 nan 8.270 nan 0.000 0.480 373 G N 1.719 110.534 108.800 0.025 0.000 2.888 373 G HA2 -0.255 3.705 3.960 -0.000 0.000 0.441 373 G HA3 -0.255 3.705 3.960 -0.000 0.000 0.441 373 G C -0.000 174.959 174.900 0.100 0.000 1.461 373 G CA -0.003 45.173 45.100 0.126 0.000 0.897 373 G HN 0.171 nan 8.290 nan 0.000 0.547 374 D N 0.167 120.709 120.400 0.237 0.000 2.133 374 D HA -0.117 4.523 4.640 -0.000 0.000 0.195 374 D C 2.540 178.859 176.300 0.031 0.000 0.997 374 D CA 1.950 56.050 54.000 0.166 0.000 0.840 374 D CB -0.106 40.833 40.800 0.231 0.000 0.947 374 D HN 0.673 nan 8.370 nan 0.000 0.452 375 Q N -0.069 119.753 119.800 0.037 0.000 2.084 375 Q HA -0.075 4.265 4.340 -0.000 0.000 0.202 375 Q C 2.357 178.350 176.000 -0.010 0.000 0.978 375 Q CA 1.454 57.265 55.803 0.013 0.000 0.844 375 Q CB -0.331 28.416 28.738 0.015 0.000 0.898 375 Q HN 0.326 nan 8.270 nan 0.000 0.426 376 G N 0.675 109.459 108.800 -0.026 0.000 2.402 376 G HA2 -0.190 3.770 3.960 -0.000 0.000 0.216 376 G HA3 -0.190 3.770 3.960 -0.000 0.000 0.216 376 G C 1.394 176.259 174.900 -0.059 0.000 1.162 376 G CA 0.413 45.490 45.100 -0.037 0.000 0.777 376 G HN 0.158 nan 8.290 nan 0.000 0.539 377 L N 0.134 121.285 121.223 -0.121 0.000 2.093 377 L HA -0.030 4.310 4.340 -0.000 0.000 0.208 377 L C 2.722 179.552 176.870 -0.068 0.000 1.085 377 L CA 1.469 56.216 54.840 -0.155 0.000 0.755 377 L CB -0.411 41.426 42.059 -0.369 0.000 0.904 377 L HN 0.359 nan 8.230 nan 0.000 0.435 378 E N 0.718 120.892 120.200 -0.042 0.000 2.051 378 E HA -0.288 4.062 4.350 -0.000 0.000 0.192 378 E C 2.382 178.996 176.600 0.024 0.000 0.991 378 E CA 1.254 57.655 56.400 0.002 0.000 0.799 378 E CB 0.003 29.706 29.700 0.005 0.000 0.748 378 E HN 0.262 nan 8.360 nan 0.000 0.449 379 R N 0.277 120.785 120.500 0.013 0.000 2.091 379 R HA -0.157 4.183 4.340 -0.000 0.000 0.238 379 R C 2.458 178.783 176.300 0.043 0.000 1.136 379 R CA 1.697 57.812 56.100 0.025 0.000 0.959 379 R CB -0.049 30.258 30.300 0.012 0.000 0.856 379 R HN 0.121 nan 8.270 nan 0.000 0.437 380 R N -0.058 120.462 120.500 0.033 0.000 2.073 380 R HA -0.088 4.252 4.340 -0.000 0.000 0.234 380 R C 2.357 178.708 176.300 0.085 0.000 1.134 380 R CA 1.720 57.848 56.100 0.047 0.000 0.952 380 R CB -0.346 29.972 30.300 0.030 0.000 0.850 380 R HN 0.256 nan 8.270 nan 0.000 0.433 381 I N 0.993 121.623 120.570 0.101 0.000 2.163 381 I HA -0.290 3.880 4.170 -0.000 0.000 0.243 381 I C 1.617 177.904 176.117 0.283 0.000 1.085 381 I CA 1.361 62.770 61.300 0.181 0.000 1.347 381 I CB -0.266 37.837 38.000 0.171 0.000 1.044 381 I HN 0.097 nan 8.210 nan 0.000 0.408 382 D N 0.073 120.602 120.400 0.216 0.000 2.144 382 D HA -0.230 4.410 4.640 -0.000 0.000 0.200 382 D C 2.092 178.528 176.300 0.227 0.000 0.978 382 D CA 1.077 55.226 54.000 0.248 0.000 0.833 382 D CB -0.248 40.635 40.800 0.139 0.000 0.961 382 D HN 0.398 nan 8.370 nan 0.000 0.470 383 Q N 0.274 120.162 119.800 0.145 0.000 2.119 383 Q HA -0.080 4.260 4.340 -0.000 0.000 0.201 383 Q C 1.983 178.047 176.000 0.107 0.000 0.972 383 Q CA 1.462 57.327 55.803 0.103 0.000 0.847 383 Q CB -0.028 28.745 28.738 0.059 0.000 0.903 383 Q HN 0.197 nan 8.270 nan 0.000 0.433 384 A N -0.080 122.807 122.820 0.110 0.000 1.902 384 A HA -0.168 4.152 4.320 -0.000 0.000 0.217 384 A C 1.756 179.348 177.584 0.014 0.000 1.181 384 A CA 1.249 53.313 52.037 0.044 0.000 0.623 384 A CB -0.937 18.060 19.000 -0.005 0.000 0.818 384 A HN 0.512 nan 8.150 nan 0.000 0.443 385 F N -0.216 119.718 119.950 -0.027 0.000 2.134 385 F HA -0.177 4.350 4.527 -0.000 0.000 0.299 385 F C 2.479 178.291 175.800 0.020 0.000 1.097 385 F CA 1.681 59.644 58.000 -0.062 0.000 1.264 385 F CB -0.409 38.437 39.000 -0.256 0.000 1.001 385 F HN 0.037 nan 8.300 nan 0.000 0.479 386 V N 0.266 120.322 119.914 0.237 0.000 2.295 386 V HA -0.309 3.811 4.120 -0.000 0.000 0.246 386 V C 2.313 178.486 176.094 0.131 0.000 1.049 386 V CA 1.779 64.178 62.300 0.165 0.000 1.024 386 V CB -0.666 31.229 31.823 0.119 0.000 0.648 386 V HN 0.305 nan 8.190 nan 0.000 0.447 387 L N -0.128 121.147 121.223 0.087 0.000 2.093 387 L HA -0.129 4.211 4.340 -0.000 0.000 0.208 387 L C 2.701 179.634 176.870 0.105 0.000 1.085 387 L CA 1.387 56.272 54.840 0.076 0.000 0.755 387 L CB -0.774 41.304 42.059 0.031 0.000 0.904 387 L HN 0.360 nan 8.230 nan 0.000 0.435 388 A N 0.320 123.169 122.820 0.048 0.000 1.902 388 A HA -0.211 4.109 4.320 -0.000 0.000 0.217 388 A C 2.385 179.993 177.584 0.039 0.000 1.181 388 A CA 1.562 53.605 52.037 0.009 0.000 0.623 388 A CB -0.438 18.521 19.000 -0.070 0.000 0.818 388 A HN 0.321 nan 8.150 nan 0.000 0.443 389 R N -2.320 118.231 120.500 0.086 0.000 2.092 389 R HA -0.100 4.240 4.340 -0.000 0.000 0.231 389 R C 2.136 178.482 176.300 0.078 0.000 1.119 389 R CA 1.467 57.618 56.100 0.085 0.000 0.970 389 R CB -0.491 29.883 30.300 0.123 0.000 0.864 389 R HN 0.716 nan 8.270 nan 0.000 0.440 390 Y N 1.329 121.621 120.300 -0.012 0.000 2.145 390 Y HA -0.257 4.293 4.550 -0.000 0.000 0.286 390 Y C 2.051 177.903 175.900 -0.079 0.000 1.145 390 Y CA 1.461 59.542 58.100 -0.032 0.000 1.148 390 Y CB -0.273 38.176 38.460 -0.018 0.000 0.981 390 Y HN -0.002 nan 8.280 nan 0.000 0.507 391 L N -0.329 120.906 121.223 0.019 0.000 2.012 391 L HA -0.181 4.159 4.340 -0.000 0.000 0.210 391 L C 2.279 178.981 176.870 -0.279 0.000 1.073 391 L CA 1.787 56.528 54.840 -0.166 0.000 0.748 391 L CB -1.071 40.911 42.059 -0.127 0.000 0.891 391 L HN 0.201 nan 8.230 nan 0.000 0.431 392 V N -0.277 119.529 119.914 -0.179 0.000 2.295 392 V HA -0.237 3.883 4.120 -0.000 0.000 0.246 392 V C 2.672 178.657 176.094 -0.181 0.000 1.049 392 V CA 1.824 64.025 62.300 -0.165 0.000 1.024 392 V CB -0.676 31.106 31.823 -0.069 0.000 0.648 392 V HN 0.453 nan 8.190 nan 0.000 0.447 393 E N -0.218 119.877 120.200 -0.175 0.000 2.077 393 E HA -0.172 4.178 4.350 -0.000 0.000 0.193 393 E C 2.300 178.753 176.600 -0.245 0.000 0.989 393 E CA 0.956 57.253 56.400 -0.172 0.000 0.800 393 E CB -0.253 29.362 29.700 -0.142 0.000 0.746 393 E HN 0.573 nan 8.360 nan 0.000 0.452 394 E N 0.501 120.471 120.200 -0.384 0.000 2.107 394 E HA -0.126 4.224 4.350 -0.000 0.000 0.191 394 E C 2.202 178.589 176.600 -0.356 0.000 0.982 394 E CA 0.851 57.008 56.400 -0.406 0.000 0.809 394 E CB -0.421 28.929 29.700 -0.583 0.000 0.756 394 E HN 0.433 nan 8.360 nan 0.000 0.459 395 M N 0.121 119.462 119.600 -0.432 0.000 2.213 395 M HA -0.081 4.398 4.480 -0.000 0.000 0.263 395 M C 1.679 177.849 176.300 -0.218 0.000 1.062 395 M CA 1.623 56.599 55.300 -0.540 0.000 1.105 395 M CB -0.210 31.941 32.600 -0.748 0.000 1.385 395 M HN -0.191 nan 8.290 nan 0.000 0.417 396 K N 0.929 121.242 120.400 -0.145 0.000 2.280 396 K HA -0.056 4.264 4.320 -0.000 0.000 0.202 396 K C 1.610 178.195 176.600 -0.026 0.000 1.047 396 K CA 1.313 57.573 56.287 -0.046 0.000 0.942 396 K CB -0.051 32.421 32.500 -0.047 0.000 0.739 396 K HN 0.522 nan 8.250 nan 0.000 0.457 397 K N 0.221 120.584 120.400 -0.062 0.000 2.400 397 K HA 0.045 4.365 4.320 -0.000 0.000 0.194 397 K C 0.492 177.095 176.600 0.004 0.000 1.033 397 K CA 0.268 56.532 56.287 -0.037 0.000 1.021 397 K CB 0.358 32.816 32.500 -0.070 0.000 0.808 397 K HN 0.013 nan 8.250 nan 0.000 0.505 398 R N 0.984 121.511 120.500 0.044 0.000 2.674 398 R HA 0.226 4.566 4.340 -0.000 0.000 0.266 398 R C -0.426 175.989 176.300 0.191 0.000 1.016 398 R CA -0.585 55.599 56.100 0.139 0.000 1.062 398 R CB 1.145 31.579 30.300 0.224 0.000 1.142 398 R HN 0.038 nan 8.270 nan 0.000 0.517 399 E N -0.011 120.283 120.200 0.156 0.000 2.313 399 E HA 0.246 4.596 4.350 -0.000 0.000 0.276 399 E C 0.442 177.042 176.600 0.001 0.000 1.031 399 E CA 0.419 56.862 56.400 0.072 0.000 0.857 399 E CB 1.244 30.959 29.700 0.025 0.000 1.040 399 E HN 0.842 nan 8.360 nan 0.000 0.408 400 G N 2.815 111.546 108.800 -0.116 0.000 2.279 400 G HA2 -0.265 3.695 3.960 -0.000 0.000 0.223 400 G HA3 -0.265 3.695 3.960 -0.000 0.000 0.223 400 G C -0.082 174.584 174.900 -0.390 0.000 1.015 400 G CA -0.579 44.263 45.100 -0.430 0.000 0.621 400 G HN 0.438 nan 8.290 nan 0.000 0.506 401 F N 2.219 122.192 119.950 0.039 0.000 2.438 401 F HA 0.564 5.091 4.527 -0.000 0.000 0.356 401 F C 0.751 176.649 175.800 0.164 0.000 1.099 401 F CA -0.133 57.960 58.000 0.156 0.000 1.185 401 F CB 1.314 40.350 39.000 0.060 0.000 1.115 401 F HN 0.124 nan 8.300 nan 0.000 0.526 402 E N 4.611 125.076 120.200 0.442 0.000 2.145 402 E HA 0.311 4.661 4.350 -0.000 0.000 0.262 402 E C -1.368 175.529 176.600 0.494 0.000 0.883 402 E CA -1.092 55.557 56.400 0.416 0.000 0.748 402 E CB 1.214 31.167 29.700 0.422 0.000 1.140 402 E HN 0.573 nan 8.360 nan 0.000 0.417 403 L N 5.272 126.685 121.223 0.316 0.000 2.416 403 L HA 0.060 4.400 4.340 -0.000 0.000 0.272 403 L C 0.682 177.657 176.870 0.174 0.000 1.161 403 L CA 0.355 55.327 54.840 0.221 0.000 0.845 403 L CB 1.426 43.556 42.059 0.119 0.000 1.119 403 L HN 0.585 nan 8.230 nan 0.000 0.464 404 V N 4.869 124.759 119.914 -0.041 0.000 2.323 404 V HA -0.076 4.044 4.120 -0.000 0.000 0.244 404 V C 0.845 176.909 176.094 -0.050 0.000 1.041 404 V CA 2.114 64.293 62.300 -0.201 0.000 1.025 404 V CB -0.665 30.695 31.823 -0.772 0.000 0.656 404 V HN 0.896 nan 8.190 nan 0.000 0.451 405 M N -2.691 116.884 119.600 -0.043 0.000 2.732 405 M HA 0.531 5.011 4.480 -0.000 0.000 0.272 405 M C -1.617 174.698 176.300 0.026 0.000 1.203 405 M CA -0.820 54.486 55.300 0.010 0.000 0.841 405 M CB 1.945 34.550 32.600 0.007 0.000 1.685 405 M HN -0.259 nan 8.290 nan 0.000 0.492 406 E N 3.154 123.380 120.200 0.043 0.000 2.376 406 E HA 0.305 4.655 4.350 -0.000 0.000 0.266 406 E C -2.363 174.277 176.600 0.067 0.000 1.009 406 E CA -1.019 55.412 56.400 0.051 0.000 0.902 406 E CB 0.346 30.080 29.700 0.056 0.000 0.972 406 E HN 0.394 nan 8.360 nan 0.000 0.439 407 P HA 0.100 nan 4.420 nan 0.000 0.280 407 P C 0.193 177.580 177.300 0.145 0.000 1.244 407 P CA -0.053 63.106 63.100 0.099 0.000 0.784 407 P CB 1.097 32.840 31.700 0.072 0.000 0.913 408 E N 1.452 121.769 120.200 0.194 0.000 2.371 408 E HA -0.023 4.327 4.350 -0.000 0.000 0.194 408 E C 0.026 176.829 176.600 0.338 0.000 1.012 408 E CA 0.373 56.916 56.400 0.239 0.000 0.860 408 E CB 0.104 29.962 29.700 0.263 0.000 0.811 408 E HN 0.365 nan 8.360 nan 0.000 0.502 409 F N -1.336 118.657 119.950 0.071 0.000 3.479 409 F HA 0.286 4.813 4.527 -0.000 0.000 0.267 409 F C 0.369 175.921 175.800 -0.413 0.000 1.542 409 F CA -0.886 57.016 58.000 -0.164 0.000 0.975 409 F CB 0.561 39.596 39.000 0.060 0.000 1.778 409 F HN -0.340 nan 8.300 nan 0.000 0.387 410 V N 1.930 121.501 119.914 -0.571 0.000 3.319 410 V HA 0.209 4.329 4.120 -0.000 0.000 0.317 410 V C -0.522 175.448 176.094 -0.206 0.000 1.411 410 V CA -0.106 61.902 62.300 -0.488 0.000 1.112 410 V CB -0.736 30.702 31.823 -0.642 0.000 1.031 410 V HN 0.398 nan 8.190 nan 0.000 0.448 411 N N 1.171 119.819 118.700 -0.088 0.000 2.420 411 N HA 0.328 5.068 4.740 -0.000 0.000 0.249 411 N C -0.872 174.658 175.510 0.033 0.000 1.033 411 N CA -0.050 53.009 53.050 0.015 0.000 0.944 411 N CB 2.224 40.761 38.487 0.084 0.000 1.113 411 N HN 0.083 nan 8.380 nan 0.000 0.502 412 V N 3.082 123.025 119.914 0.048 0.000 2.347 412 V HA 0.245 4.365 4.120 -0.000 0.000 0.280 412 V C 0.060 176.285 176.094 0.218 0.000 1.021 412 V CA -0.620 61.743 62.300 0.105 0.000 0.847 412 V CB 0.979 32.847 31.823 0.075 0.000 0.990 412 V HN 0.727 nan 8.190 nan 0.000 0.444 413 C N 6.794 126.186 119.300 0.153 0.000 2.322 413 C HA 0.915 5.375 4.460 -0.000 0.000 0.324 413 C C -0.309 174.690 174.990 0.015 0.000 1.284 413 C CA -0.871 58.165 59.018 0.030 0.000 1.606 413 C CB -0.192 27.444 27.740 -0.173 0.000 2.251 413 C HN 0.882 nan 8.230 nan 0.000 0.502 414 F N -0.047 119.815 119.950 -0.147 0.000 2.719 414 F HA 0.661 5.188 4.527 -0.000 0.000 0.309 414 F C -1.368 174.433 175.800 0.002 0.000 1.138 414 F CA -1.495 56.452 58.000 -0.088 0.000 0.943 414 F CB 0.703 39.797 39.000 0.157 0.000 1.304 414 F HN 0.504 nan 8.300 nan 0.000 0.445 415 W N 2.155 123.670 121.300 0.358 0.000 2.449 415 W HA 0.474 5.134 4.660 -0.000 0.000 0.331 415 W C -1.162 175.634 176.519 0.461 0.000 1.119 415 W CA -0.874 56.643 57.345 0.288 0.000 1.240 415 W CB 1.738 31.283 29.460 0.142 0.000 1.251 415 W HN 0.566 nan 8.180 nan 0.000 0.576 416 F N 2.622 122.853 119.950 0.468 0.000 2.404 416 F HA 0.436 4.963 4.527 -0.000 0.000 0.354 416 F C -0.457 175.385 175.800 0.070 0.000 1.122 416 F CA -0.714 57.377 58.000 0.153 0.000 1.080 416 F CB 0.674 39.739 39.000 0.109 0.000 1.131 416 F HN -0.107 nan 8.300 nan 0.000 0.471 417 V N 9.039 128.528 119.914 -0.708 0.000 2.348 417 V HA 0.328 4.448 4.120 -0.000 0.000 0.270 417 V C -1.956 173.626 176.094 -0.854 0.000 1.037 417 V CA -1.638 60.349 62.300 -0.523 0.000 0.872 417 V CB 0.604 32.277 31.823 -0.249 0.000 1.002 417 V HN 0.621 nan 8.190 nan 0.000 0.464 418 P HA 0.275 nan 4.420 nan 0.000 0.276 418 P C -2.330 174.876 177.300 -0.157 0.000 1.252 418 P CA -1.914 61.043 63.100 -0.239 0.000 0.802 418 P CB 0.751 32.486 31.700 0.058 0.000 1.035 419 P HA -0.219 nan 4.420 nan 0.000 0.217 419 P C 1.770 179.049 177.300 -0.035 0.000 1.151 419 P CA 2.238 65.310 63.100 -0.046 0.000 0.849 419 P CB -0.416 31.282 31.700 -0.003 0.000 0.787 420 S N -1.757 113.929 115.700 -0.022 0.000 2.474 420 S HA -0.053 4.417 4.470 -0.000 0.000 0.235 420 S C 1.616 176.209 174.600 -0.011 0.000 0.997 420 S CA 0.871 59.062 58.200 -0.015 0.000 0.949 420 S CB -1.129 62.065 63.200 -0.009 0.000 0.766 420 S HN 0.117 nan 8.310 nan 0.000 0.517 421 L N -0.134 121.079 121.223 -0.017 0.000 2.664 421 L HA 0.342 4.682 4.340 -0.000 0.000 0.233 421 L C 0.755 177.671 176.870 0.077 0.000 1.113 421 L CA -0.315 54.550 54.840 0.041 0.000 0.896 421 L CB 0.104 42.158 42.059 -0.009 0.000 1.163 421 L HN 0.063 nan 8.230 nan 0.000 0.497 422 R N 0.677 121.172 120.500 -0.008 0.000 2.421 422 R HA 0.251 4.591 4.340 -0.000 0.000 0.305 422 R C 1.091 177.367 176.300 -0.040 0.000 1.039 422 R CA 0.838 56.919 56.100 -0.032 0.000 1.003 422 R CB 0.249 30.509 30.300 -0.067 0.000 0.959 422 R HN 0.278 nan 8.270 nan 0.000 0.427 423 G N 2.825 111.583 108.800 -0.071 0.000 2.175 423 G HA2 -0.283 3.677 3.960 -0.000 0.000 0.244 423 G HA3 -0.283 3.677 3.960 -0.000 0.000 0.244 423 G C 0.391 175.207 174.900 -0.140 0.000 0.982 423 G CA -0.044 44.995 45.100 -0.102 0.000 0.641 423 G HN 0.467 nan 8.290 nan 0.000 0.527 424 K N 0.252 120.568 120.400 -0.141 0.000 2.493 424 K HA 0.432 4.752 4.320 -0.000 0.000 0.207 424 K C 1.828 178.164 176.600 -0.441 0.000 1.033 424 K CA 0.086 56.285 56.287 -0.146 0.000 1.161 424 K CB 0.405 32.919 32.500 0.024 0.000 0.873 424 K HN 0.355 nan 8.250 nan 0.000 0.491 425 Q N 0.523 119.866 119.800 -0.761 0.000 2.226 425 Q HA -0.116 4.224 4.340 -0.000 0.000 0.204 425 Q C 0.723 176.258 176.000 -0.775 0.000 0.975 425 Q CA 1.384 56.378 55.803 -1.349 0.000 0.866 425 Q CB 0.091 28.337 28.738 -0.821 0.000 0.915 425 Q HN 0.368 nan 8.270 nan 0.000 0.440 426 E N -0.186 119.763 120.200 -0.418 0.000 2.479 426 E HA 0.058 4.408 4.350 -0.000 0.000 0.193 426 E C -0.040 176.456 176.600 -0.172 0.000 1.049 426 E CA 0.011 56.261 56.400 -0.251 0.000 0.870 426 E CB 0.451 30.046 29.700 -0.176 0.000 0.944 426 E HN 0.187 nan 8.360 nan 0.000 0.492 427 S N 1.070 116.675 115.700 -0.159 0.000 2.593 427 S HA 0.110 4.580 4.470 -0.000 0.000 0.269 427 S C -1.314 173.252 174.600 -0.058 0.000 1.334 427 S CA -1.194 56.961 58.200 -0.076 0.000 1.015 427 S CB 0.954 64.134 63.200 -0.033 0.000 0.912 427 S HN -0.133 nan 8.310 nan 0.000 0.541 428 P HA 0.009 nan 4.420 nan 0.000 0.222 428 P C 0.294 177.586 177.300 -0.013 0.000 1.153 428 P CA 1.070 64.153 63.100 -0.028 0.000 0.798 428 P CB -0.229 31.459 31.700 -0.019 0.000 0.796 429 D N -2.033 118.365 120.400 -0.003 0.000 2.427 429 D HA -0.070 4.570 4.640 -0.000 0.000 0.224 429 D C 1.525 177.822 176.300 -0.004 0.000 1.157 429 D CA -0.815 53.184 54.000 -0.002 0.000 0.828 429 D CB -1.084 39.711 40.800 -0.008 0.000 0.974 429 D HN 0.096 nan 8.370 nan 0.000 0.498 430 Y N 1.647 121.852 120.300 -0.159 0.000 2.114 430 Y HA -0.264 4.286 4.550 -0.000 0.000 0.284 430 Y C 1.946 177.746 175.900 -0.167 0.000 1.143 430 Y CA 1.948 59.924 58.100 -0.206 0.000 1.135 430 Y CB -0.237 38.027 38.460 -0.326 0.000 0.980 430 Y HN 0.061 nan 8.280 nan 0.000 0.499 431 H N 0.022 119.023 119.070 -0.115 0.000 2.387 431 H HA -0.095 4.461 4.556 -0.000 0.000 0.299 431 H C 2.023 177.239 175.328 -0.188 0.000 1.090 431 H CA 1.718 57.629 56.048 -0.228 0.000 1.332 431 H CB -0.275 29.436 29.762 -0.086 0.000 1.386 431 H HN 0.447 nan 8.280 nan 0.000 0.516 432 E N 0.486 120.689 120.200 0.004 0.000 2.077 432 E HA -0.101 4.249 4.350 -0.000 0.000 0.193 432 E C 2.464 179.020 176.600 -0.072 0.000 0.989 432 E CA 0.879 57.267 56.400 -0.021 0.000 0.800 432 E CB 0.015 29.710 29.700 -0.008 0.000 0.746 432 E HN 0.355 nan 8.360 nan 0.000 0.452 433 R N -0.279 120.149 120.500 -0.120 0.000 2.062 433 R HA -0.030 4.310 4.340 -0.000 0.000 0.229 433 R C 2.267 178.453 176.300 -0.190 0.000 1.128 433 R CA 0.753 56.769 56.100 -0.139 0.000 0.960 433 R CB -0.422 29.797 30.300 -0.135 0.000 0.855 433 R HN 0.108 nan 8.270 nan 0.000 0.432 434 L N 0.720 121.748 121.223 -0.325 0.000 2.079 434 L HA -0.160 4.180 4.340 -0.000 0.000 0.210 434 L C 2.201 178.986 176.870 -0.141 0.000 1.081 434 L CA 1.784 56.428 54.840 -0.327 0.000 0.752 434 L CB -0.733 40.964 42.059 -0.603 0.000 0.896 434 L HN 0.061 nan 8.230 nan 0.000 0.433 435 S N -0.950 114.691 115.700 -0.099 0.000 2.419 435 S HA -0.204 4.266 4.470 -0.000 0.000 0.235 435 S C 1.892 176.431 174.600 -0.103 0.000 1.019 435 S CA 1.303 59.483 58.200 -0.033 0.000 0.982 435 S CB -0.256 62.941 63.200 -0.005 0.000 0.789 435 S HN 0.553 nan 8.310 nan 0.000 0.490 436 K N 0.359 120.694 120.400 -0.108 0.000 2.486 436 K HA 0.094 4.414 4.320 -0.000 0.000 0.194 436 K C 1.647 178.160 176.600 -0.145 0.000 1.033 436 K CA 0.382 56.596 56.287 -0.122 0.000 1.004 436 K CB 0.111 32.559 32.500 -0.086 0.000 0.798 436 K HN 0.257 nan 8.250 nan 0.000 0.495 437 V N 1.053 120.889 119.914 -0.129 0.000 2.346 437 V HA -0.179 3.941 4.120 -0.000 0.000 0.244 437 V C 2.338 178.343 176.094 -0.149 0.000 1.037 437 V CA 1.944 64.198 62.300 -0.077 0.000 1.029 437 V CB -0.478 31.357 31.823 0.019 0.000 0.663 437 V HN 0.301 nan 8.190 nan 0.000 0.454 438 A N 0.725 123.335 122.820 -0.349 0.000 1.908 438 A HA -0.139 4.181 4.320 -0.000 0.000 0.218 438 A C 0.526 177.658 177.584 -0.754 0.000 1.181 438 A CA 2.166 53.769 52.037 -0.723 0.000 0.627 438 A CB -1.951 16.206 19.000 -1.406 0.000 0.818 438 A HN 0.526 nan 8.150 nan 0.000 0.445 439 P HA -0.124 nan 4.420 nan 0.000 0.216 439 P C 1.596 178.766 177.300 -0.217 0.000 1.150 439 P CA 1.452 64.201 63.100 -0.585 0.000 0.843 439 P CB -0.118 31.364 31.700 -0.363 0.000 0.787 440 V N -0.775 119.040 119.914 -0.164 0.000 2.358 440 V HA -0.197 3.923 4.120 -0.000 0.000 0.246 440 V C 2.448 178.514 176.094 -0.045 0.000 1.047 440 V CA 1.520 63.770 62.300 -0.083 0.000 1.035 440 V CB -1.213 30.575 31.823 -0.059 0.000 0.658 440 V HN 0.066 nan 8.190 nan 0.000 0.452 441 L N -0.064 121.155 121.223 -0.006 0.000 2.046 441 L HA -0.202 4.138 4.340 -0.000 0.000 0.208 441 L C 2.630 179.541 176.870 0.069 0.000 1.077 441 L CA 1.657 56.526 54.840 0.049 0.000 0.747 441 L CB -0.561 41.599 42.059 0.169 0.000 0.896 441 L HN 0.302 nan 8.230 nan 0.000 0.432 442 K N 0.822 121.295 120.400 0.122 0.000 2.026 442 K HA -0.250 4.070 4.320 -0.000 0.000 0.208 442 K C 1.951 178.558 176.600 0.012 0.000 1.048 442 K CA 1.785 58.160 56.287 0.147 0.000 0.929 442 K CB -0.254 32.418 32.500 0.287 0.000 0.713 442 K HN 0.268 nan 8.250 nan 0.000 0.439 443 E N -0.013 120.158 120.200 -0.048 0.000 2.085 443 E HA -0.232 4.118 4.350 -0.000 0.000 0.194 443 E C 2.012 178.525 176.600 -0.144 0.000 0.994 443 E CA 1.328 57.637 56.400 -0.152 0.000 0.801 443 E CB -0.000 29.611 29.700 -0.148 0.000 0.743 443 E HN 0.268 nan 8.360 nan 0.000 0.453 444 R N 0.012 120.464 120.500 -0.080 0.000 2.075 444 R HA -0.128 4.212 4.340 -0.000 0.000 0.232 444 R C 2.718 178.993 176.300 -0.043 0.000 1.126 444 R CA 1.950 58.014 56.100 -0.061 0.000 0.963 444 R CB -0.435 29.838 30.300 -0.046 0.000 0.858 444 R HN 0.435 nan 8.270 nan 0.000 0.435 445 M N -0.466 119.118 119.600 -0.027 0.000 2.175 445 M HA -0.058 4.421 4.480 -0.000 0.000 0.264 445 M C 1.938 178.245 176.300 0.011 0.000 1.063 445 M CA 1.621 56.922 55.300 0.002 0.000 1.119 445 M CB -0.418 32.190 32.600 0.013 0.000 1.377 445 M HN -0.138 nan 8.290 nan 0.000 0.415 446 V N 1.550 121.449 119.914 -0.024 0.000 2.295 446 V HA -0.217 3.903 4.120 -0.000 0.000 0.246 446 V C 2.503 178.593 176.094 -0.008 0.000 1.049 446 V CA 2.056 64.342 62.300 -0.024 0.000 1.024 446 V CB -0.808 30.936 31.823 -0.131 0.000 0.648 446 V HN 0.531 nan 8.190 nan 0.000 0.447 447 K N -0.325 120.016 120.400 -0.098 0.000 2.211 447 K HA -0.198 4.122 4.320 -0.000 0.000 0.203 447 K C 2.142 178.779 176.600 0.062 0.000 1.050 447 K CA 1.388 57.663 56.287 -0.022 0.000 0.945 447 K CB -0.068 32.371 32.500 -0.102 0.000 0.732 447 K HN 0.548 nan 8.250 nan 0.000 0.451 448 E N -0.053 120.170 120.200 0.038 0.000 2.158 448 E HA -0.088 4.262 4.350 -0.000 0.000 0.191 448 E C 0.785 177.428 176.600 0.071 0.000 0.982 448 E CA 0.749 57.182 56.400 0.055 0.000 0.823 448 E CB 0.205 29.931 29.700 0.043 0.000 0.766 448 E HN 0.369 nan 8.360 nan 0.000 0.468 449 G N 0.581 109.423 108.800 0.071 0.000 2.136 449 G HA2 -0.319 3.641 3.960 -0.000 0.000 0.242 449 G HA3 -0.319 3.641 3.960 -0.000 0.000 0.242 449 G C 0.890 175.806 174.900 0.026 0.000 0.989 449 G CA 0.823 45.957 45.100 0.056 0.000 0.682 449 G HN 0.451 nan 8.290 nan 0.000 0.522 450 S N -0.924 114.822 115.700 0.076 0.000 2.470 450 S HA 0.556 5.026 4.470 -0.000 0.000 0.222 450 S C 0.970 175.675 174.600 0.174 0.000 1.024 450 S CA 1.327 59.619 58.200 0.153 0.000 0.931 450 S CB -0.119 63.242 63.200 0.269 0.000 0.791 450 S HN 1.717 nan 8.310 nan 0.000 0.513 451 M N -0.773 118.910 119.600 0.138 0.000 2.853 451 M HA 0.550 5.030 4.480 -0.000 0.000 0.273 451 M C -2.235 174.138 176.300 0.121 0.000 1.128 451 M CA -0.736 54.664 55.300 0.167 0.000 0.814 451 M CB 1.478 34.288 32.600 0.349 0.000 1.667 451 M HN -0.064 nan 8.290 nan 0.000 0.519 452 M N 2.588 122.261 119.600 0.123 0.000 2.204 452 M HA 0.643 5.123 4.480 -0.000 0.000 0.293 452 M C -1.693 174.633 176.300 0.045 0.000 0.994 452 M CA -0.357 54.982 55.300 0.064 0.000 0.925 452 M CB 2.461 35.092 32.600 0.052 0.000 1.577 452 M HN 0.634 nan 8.290 nan 0.000 0.439 453 I N 1.628 122.230 120.570 0.054 0.000 2.509 453 I HA 0.573 4.742 4.170 -0.000 0.000 0.293 453 I C 0.626 176.806 176.117 0.106 0.000 1.020 453 I CA -0.860 60.467 61.300 0.045 0.000 1.088 453 I CB 2.177 40.136 38.000 -0.069 0.000 1.267 453 I HN 0.747 nan 8.210 nan 0.000 0.430 454 G N 4.347 113.145 108.800 -0.003 0.000 2.503 454 G HA2 0.402 4.362 3.960 -0.000 0.000 0.257 454 G HA3 0.402 4.362 3.960 -0.000 0.000 0.257 454 G C -1.188 173.721 174.900 0.014 0.000 1.214 454 G CA 0.020 45.072 45.100 -0.079 0.000 0.839 454 G HN 0.647 nan 8.290 nan 0.000 0.559 455 Y N -0.244 119.948 120.300 -0.180 0.000 2.581 455 Y HA 0.791 5.341 4.550 -0.000 0.000 0.345 455 Y C -0.459 175.195 175.900 -0.410 0.000 1.036 455 Y CA -1.440 56.428 58.100 -0.387 0.000 1.042 455 Y CB 1.937 40.034 38.460 -0.606 0.000 1.289 455 Y HN 0.663 nan 8.280 nan 0.000 0.471 456 Q N 1.018 120.560 119.800 -0.430 0.000 2.578 456 Q HA 0.493 4.833 4.340 -0.000 0.000 0.284 456 Q C -3.551 172.103 176.000 -0.577 0.000 0.960 456 Q CA -1.892 53.652 55.803 -0.432 0.000 0.809 456 Q CB 2.498 30.982 28.738 -0.424 0.000 1.462 456 Q HN 0.525 nan 8.270 nan 0.000 0.392 457 P HA 0.406 nan 4.420 nan 0.000 0.278 457 P C -0.865 176.401 177.300 -0.057 0.000 1.266 457 P CA 0.018 63.019 63.100 -0.166 0.000 0.807 457 P CB 1.257 32.938 31.700 -0.032 0.000 1.094 458 H N -1.239 117.848 119.070 0.028 0.000 3.151 458 H HA 0.325 4.881 4.556 -0.000 0.000 0.333 458 H C 0.467 175.898 175.328 0.172 0.000 1.093 458 H CA 0.695 56.812 56.048 0.115 0.000 1.342 458 H CB 1.312 31.225 29.762 0.253 0.000 1.983 458 H HN 0.824 nan 8.280 nan 0.000 0.503 459 G N 2.578 111.237 108.800 -0.235 0.000 2.591 459 G HA2 -0.400 3.560 3.960 -0.000 0.000 0.298 459 G HA3 -0.400 3.560 3.960 -0.000 0.000 0.298 459 G C 1.053 175.958 174.900 0.008 0.000 1.195 459 G CA 1.248 46.291 45.100 -0.096 0.000 0.989 459 G HN 1.021 nan 8.290 nan 0.000 0.551 460 T N -0.886 113.700 114.554 0.052 0.000 3.086 460 T HA 0.473 4.823 4.350 -0.000 0.000 0.250 460 T C 1.021 175.758 174.700 0.060 0.000 1.074 460 T CA 0.768 62.897 62.100 0.047 0.000 0.988 460 T CB 0.174 69.064 68.868 0.037 0.000 0.988 460 T HN 0.569 nan 8.240 nan 0.000 0.530 461 R N 0.811 121.396 120.500 0.140 0.000 2.720 461 R HA 0.710 5.050 4.340 -0.000 0.000 0.272 461 R C 0.822 177.281 176.300 0.265 0.000 0.991 461 R CA -0.489 55.724 56.100 0.189 0.000 1.010 461 R CB 1.212 31.757 30.300 0.408 0.000 1.141 461 R HN 0.342 nan 8.270 nan 0.000 0.494 462 G N 0.155 109.112 108.800 0.262 0.000 2.525 462 G HA2 0.088 4.048 3.960 -0.000 0.000 0.287 462 G HA3 0.088 4.048 3.960 -0.000 0.000 0.287 462 G C -0.427 174.645 174.900 0.288 0.000 1.350 462 G CA -0.815 44.410 45.100 0.208 0.000 1.039 462 G HN 0.566 nan 8.290 nan 0.000 0.513 463 N N 0.023 118.777 118.700 0.091 0.000 2.365 463 N HA 0.274 5.014 4.740 -0.000 0.000 0.265 463 N C -0.609 174.831 175.510 -0.117 0.000 1.288 463 N CA 0.596 53.592 53.050 -0.091 0.000 0.869 463 N CB 0.043 38.419 38.487 -0.185 0.000 1.071 463 N HN 0.435 nan 8.380 nan 0.000 0.480 464 F N 0.314 120.037 119.950 -0.378 0.000 2.593 464 F HA 0.664 5.191 4.527 -0.000 0.000 0.320 464 F C -0.694 174.731 175.800 -0.626 0.000 1.060 464 F CA -1.662 55.870 58.000 -0.781 0.000 0.940 464 F CB 0.617 38.780 39.000 -1.396 0.000 1.268 464 F HN 0.081 nan 8.300 nan 0.000 0.475 465 F N 1.511 121.242 119.950 -0.365 0.000 2.418 465 F HA 0.444 4.971 4.527 -0.000 0.000 0.341 465 F C 0.675 176.273 175.800 -0.336 0.000 1.120 465 F CA -0.293 57.439 58.000 -0.446 0.000 1.232 465 F CB 0.861 39.363 39.000 -0.829 0.000 1.175 465 F HN 0.521 nan 8.300 nan 0.000 0.569 466 R N 2.806 123.299 120.500 -0.012 0.000 2.320 466 R HA 0.521 4.861 4.340 -0.000 0.000 0.319 466 R C -1.909 174.383 176.300 -0.015 0.000 0.969 466 R CA -0.419 55.673 56.100 -0.013 0.000 0.857 466 R CB 0.953 31.209 30.300 -0.073 0.000 1.160 466 R HN 0.533 nan 8.270 nan 0.000 0.491 467 V N 5.506 125.440 119.914 0.034 0.000 2.406 467 V HA 0.201 4.321 4.120 -0.000 0.000 0.272 467 V C 0.066 176.149 176.094 -0.018 0.000 1.043 467 V CA -0.520 61.764 62.300 -0.025 0.000 0.915 467 V CB 1.571 33.350 31.823 -0.074 0.000 0.988 467 V HN 0.441 nan 8.190 nan 0.000 0.466 468 V N 6.335 126.248 119.914 -0.001 0.000 2.350 468 V HA 0.274 4.394 4.120 -0.000 0.000 0.276 468 V C 0.103 176.267 176.094 0.116 0.000 1.028 468 V CA -0.500 61.803 62.300 0.006 0.000 0.860 468 V CB 1.662 33.421 31.823 -0.108 0.000 0.990 468 V HN 0.606 nan 8.190 nan 0.000 0.453 469 V N 5.289 125.240 119.914 0.063 0.000 2.284 469 V HA 0.502 4.622 4.120 -0.000 0.000 0.260 469 V C 0.856 176.990 176.094 0.068 0.000 1.084 469 V CA 0.651 63.010 62.300 0.097 0.000 0.894 469 V CB 0.407 32.243 31.823 0.022 0.000 1.119 469 V HN 1.029 nan 8.190 nan 0.000 0.484 470 A N 3.755 126.650 122.820 0.125 0.000 2.141 470 A HA 0.241 4.560 4.320 -0.000 0.000 0.196 470 A C 1.031 178.685 177.584 0.116 0.000 1.502 470 A CA -0.093 52.024 52.037 0.133 0.000 1.075 470 A CB 0.084 19.214 19.000 0.217 0.000 1.217 470 A HN 0.577 nan 8.150 nan 0.000 0.477 471 N N 1.445 120.203 118.700 0.095 0.000 2.452 471 N HA 0.041 4.781 4.740 -0.000 0.000 0.266 471 N C 1.269 176.811 175.510 0.054 0.000 1.175 471 N CA 0.843 53.933 53.050 0.067 0.000 0.945 471 N CB 1.169 39.665 38.487 0.015 0.000 1.063 471 N HN 0.320 nan 8.380 nan 0.000 0.472 472 S N 2.807 118.538 115.700 0.051 0.000 2.469 472 S HA -0.103 4.366 4.470 -0.000 0.000 0.238 472 S C 1.564 176.174 174.600 0.016 0.000 0.998 472 S CA 0.800 59.023 58.200 0.038 0.000 0.957 472 S CB -0.118 63.106 63.200 0.039 0.000 0.764 472 S HN 0.581 nan 8.310 nan 0.000 0.514 473 A N 0.887 123.708 122.820 0.001 0.000 2.208 473 A HA 0.426 4.746 4.320 -0.000 0.000 0.209 473 A C 0.913 178.482 177.584 -0.024 0.000 1.161 473 A CA -0.170 51.853 52.037 -0.024 0.000 0.782 473 A CB -0.481 18.486 19.000 -0.054 0.000 0.816 473 A HN 0.567 nan 8.150 nan 0.000 0.477 474 L N 1.401 122.625 121.223 0.001 0.000 2.485 474 L HA 0.190 4.530 4.340 -0.000 0.000 0.275 474 L C 0.985 177.854 176.870 -0.003 0.000 1.207 474 L CA 0.285 55.137 54.840 0.021 0.000 0.855 474 L CB 0.676 42.782 42.059 0.078 0.000 1.114 474 L HN 0.470 nan 8.230 nan 0.000 0.485 475 T N -2.131 112.416 114.554 -0.011 0.000 2.888 475 T HA 0.230 4.580 4.350 -0.000 0.000 0.288 475 T C 0.981 175.631 174.700 -0.083 0.000 1.063 475 T CA -0.890 61.179 62.100 -0.053 0.000 1.010 475 T CB 1.240 70.079 68.868 -0.049 0.000 1.214 475 T HN 0.571 nan 8.240 nan 0.000 0.533 476 C N 0.786 119.966 119.300 -0.200 0.000 2.403 476 C HA 0.036 4.496 4.460 -0.000 0.000 0.277 476 C C 3.258 178.215 174.990 -0.054 0.000 1.248 476 C CA 1.291 60.094 59.018 -0.358 0.000 1.762 476 C CB -1.885 25.505 27.740 -0.584 0.000 2.014 476 C HN 1.010 nan 8.230 nan 0.000 0.486 477 A N 0.585 123.402 122.820 -0.005 0.000 1.978 477 A HA -0.213 4.107 4.320 -0.000 0.000 0.220 477 A C 1.807 179.473 177.584 0.137 0.000 1.170 477 A CA 2.082 54.164 52.037 0.075 0.000 0.636 477 A CB -0.497 18.531 19.000 0.046 0.000 0.810 477 A HN 0.614 nan 8.150 nan 0.000 0.448 478 D N -0.549 119.919 120.400 0.113 0.000 2.144 478 D HA -0.112 4.528 4.640 -0.000 0.000 0.200 478 D C 1.935 178.394 176.300 0.266 0.000 0.978 478 D CA 1.100 55.217 54.000 0.195 0.000 0.833 478 D CB -0.234 40.673 40.800 0.178 0.000 0.961 478 D HN 0.312 nan 8.370 nan 0.000 0.470 479 M N 0.951 120.666 119.600 0.191 0.000 2.132 479 M HA -0.090 4.390 4.480 -0.000 0.000 0.263 479 M C 1.498 177.870 176.300 0.120 0.000 1.065 479 M CA 1.062 56.450 55.300 0.147 0.000 1.122 479 M CB -0.825 31.929 32.600 0.257 0.000 1.365 479 M HN -0.079 nan 8.290 nan 0.000 0.411 480 D N 0.050 120.564 120.400 0.190 0.000 2.104 480 D HA -0.174 4.466 4.640 -0.000 0.000 0.194 480 D C 1.854 178.213 176.300 0.097 0.000 0.994 480 D CA 1.077 55.147 54.000 0.117 0.000 0.830 480 D CB -0.599 40.289 40.800 0.146 0.000 0.959 480 D HN 0.316 nan 8.370 nan 0.000 0.452 481 F N 1.537 121.511 119.950 0.040 0.000 2.095 481 F HA -0.191 4.336 4.527 -0.000 0.000 0.298 481 F C 2.271 178.084 175.800 0.021 0.000 1.104 481 F CA 1.131 59.157 58.000 0.044 0.000 1.232 481 F CB -0.339 38.709 39.000 0.079 0.000 0.987 481 F HN -0.080 nan 8.300 nan 0.000 0.475 482 L N -0.038 121.292 121.223 0.178 0.000 2.012 482 L HA -0.246 4.094 4.340 -0.000 0.000 0.210 482 L C 2.219 179.005 176.870 -0.141 0.000 1.073 482 L CA 1.687 56.531 54.840 0.007 0.000 0.748 482 L CB -0.477 41.524 42.059 -0.097 0.000 0.891 482 L HN 0.284 nan 8.230 nan 0.000 0.431 483 L N -0.227 120.897 121.223 -0.165 0.000 2.056 483 L HA -0.195 4.144 4.340 -0.000 0.000 0.207 483 L C 2.406 179.251 176.870 -0.043 0.000 1.078 483 L CA 1.057 55.796 54.840 -0.168 0.000 0.749 483 L CB -0.845 41.004 42.059 -0.350 0.000 0.901 483 L HN 0.361 nan 8.230 nan 0.000 0.433 484 N N 0.078 118.704 118.700 -0.124 0.000 2.104 484 N HA -0.229 4.511 4.740 -0.000 0.000 0.190 484 N C 1.836 177.211 175.510 -0.225 0.000 1.024 484 N CA 1.323 54.291 53.050 -0.138 0.000 0.853 484 N CB -0.164 38.230 38.487 -0.155 0.000 1.008 484 N HN 0.310 nan 8.380 nan 0.000 0.424 485 E N 0.870 120.834 120.200 -0.393 0.000 2.107 485 E HA 0.040 4.390 4.350 -0.000 0.000 0.191 485 E C 2.050 178.479 176.600 -0.285 0.000 0.982 485 E CA 0.513 56.666 56.400 -0.411 0.000 0.809 485 E CB -0.191 29.149 29.700 -0.600 0.000 0.756 485 E HN 0.271 nan 8.360 nan 0.000 0.459 486 L N 0.575 121.638 121.223 -0.268 0.000 2.046 486 L HA -0.163 4.177 4.340 -0.000 0.000 0.208 486 L C 2.384 178.874 176.870 -0.633 0.000 1.077 486 L CA 1.482 56.063 54.840 -0.431 0.000 0.747 486 L CB -0.450 41.409 42.059 -0.334 0.000 0.896 486 L HN 0.222 nan 8.230 nan 0.000 0.432 487 E N -0.227 119.797 120.200 -0.293 0.000 2.077 487 E HA -0.254 4.096 4.350 -0.000 0.000 0.193 487 E C 2.248 178.792 176.600 -0.094 0.000 0.989 487 E CA 0.944 57.281 56.400 -0.106 0.000 0.800 487 E CB -0.104 29.670 29.700 0.122 0.000 0.746 487 E HN 0.381 nan 8.360 nan 0.000 0.452 488 R N 0.998 121.426 120.500 -0.121 0.000 2.066 488 R HA -0.076 4.264 4.340 -0.000 0.000 0.232 488 R C 2.393 178.637 176.300 -0.093 0.000 1.131 488 R CA 0.835 56.883 56.100 -0.088 0.000 0.955 488 R CB -0.119 30.120 30.300 -0.101 0.000 0.851 488 R HN 0.130 nan 8.270 nan 0.000 0.432 489 L N -0.511 120.624 121.223 -0.147 0.000 2.275 489 L HA 0.002 4.342 4.340 -0.000 0.000 0.215 489 L C 2.128 178.933 176.870 -0.108 0.000 1.119 489 L CA 1.076 55.843 54.840 -0.121 0.000 0.790 489 L CB -0.192 41.784 42.059 -0.138 0.000 0.919 489 L HN 0.407 nan 8.230 nan 0.000 0.443 490 G N -0.730 107.971 108.800 -0.165 0.000 3.088 490 G HA2 -0.053 3.907 3.960 -0.000 0.000 0.217 490 G HA3 -0.053 3.907 3.960 -0.000 0.000 0.217 490 G C 1.406 176.397 174.900 0.153 0.000 1.159 490 G CA -0.013 45.083 45.100 -0.006 0.000 0.760 490 G HN 0.503 nan 8.290 nan 0.000 0.550 491 Q N 1.316 121.162 119.800 0.077 0.000 2.124 491 Q HA -0.128 4.212 4.340 -0.000 0.000 0.202 491 Q C 1.258 177.296 176.000 0.063 0.000 0.977 491 Q CA 1.545 57.400 55.803 0.087 0.000 0.850 491 Q CB -0.380 28.387 28.738 0.048 0.000 0.901 491 Q HN 0.452 nan 8.270 nan 0.000 0.429 492 D N 0.360 120.786 120.400 0.044 0.000 2.325 492 D HA 0.114 4.754 4.640 -0.000 0.000 0.225 492 D C 0.555 176.873 176.300 0.030 0.000 1.096 492 D CA -0.093 53.924 54.000 0.029 0.000 0.844 492 D CB 0.054 40.864 40.800 0.016 0.000 0.925 492 D HN 0.263 nan 8.370 nan 0.000 0.513 493 L N 0.000 121.254 121.223 0.052 0.000 2.949 493 L HA 0.000 4.340 4.340 -0.000 0.000 0.249 493 L CA 0.000 54.867 54.840 0.044 0.000 0.813 493 L CB 0.000 42.104 42.059 0.075 0.000 0.961 493 L HN 0.000 nan 8.230 nan 0.000 0.502