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 1dcn_1_A DATA FIRST_RESID 33 DATA SEQUENCE DQRLSEVDIQ GSMAYAKALE KAGILTKTEL EKILSGLEKI SEEWSKGVFV DATA SEQUENCE VKQSDEDIHT ANERRLKELI GDIAGKLNTG RSRNDQVVTD LKLFMKNSLS DATA SEQUENCE IISTHLLQLI KTLVERAAIE IDVILPGYTN LQKAQPIRWS QFLLSHAVAL DATA SEQUENCE TRDSERLGEV KKRINVLPLG SGALAGNPLD IDREMLRSEL EFASISLNSM DATA SEQUENCE DAISERDFVV EFLSFATLLM IHLSKMAEDL IIYSTSEFGF LTLSDAFSTX DATA SEQUENCE XXXXXXXXNP DSLELIRSKS GRVFGRLASI LMVLKGLPST YNKDLQEDKE DATA SEQUENCE AVFDVVDTLT AVLQVATGVI STLQISKENM EKALTPEMLA TDLALYLVRK DATA SEQUENCE GVPFRQAHTA SGKAVHLAET KGITINNLSL EDLKSISPQF SSDVSQVFNF DATA SEQUENCE VNSVEQYTAL AGTAKSSVTT QIEQLRELMK KQK 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 33 D HA 0.000 nan 4.640 nan 0.000 0.175 33 D C 0.000 176.459 176.300 0.265 0.000 2.045 33 D CA 0.000 54.200 54.000 0.332 0.000 0.868 33 D CB 0.000 40.940 40.800 0.234 0.000 0.688 34 Q N -0.660 119.108 119.800 -0.054 0.000 1.666 34 Q HA 0.370 4.710 4.340 -0.000 0.000 0.258 34 Q C 0.603 176.397 176.000 -0.343 0.000 0.430 34 Q CA -0.112 55.614 55.803 -0.128 0.000 0.695 34 Q CB 0.244 28.928 28.738 -0.089 0.000 1.021 34 Q HN -0.116 nan 8.270 nan 0.000 0.150 35 R N 0.567 120.876 120.500 -0.319 0.000 2.127 35 R HA -0.011 4.329 4.340 -0.000 0.000 0.228 35 R C 2.035 178.156 176.300 -0.299 0.000 1.125 35 R CA 1.934 57.850 56.100 -0.307 0.000 0.904 35 R CB -0.978 29.041 30.300 -0.469 0.000 0.831 35 R HN 0.385 nan 8.270 nan 0.000 0.431 36 L N 1.555 122.584 121.223 -0.323 0.000 2.661 36 L HA -0.180 4.160 4.340 -0.000 0.000 0.236 36 L C 1.921 178.600 176.870 -0.319 0.000 1.176 36 L CA 0.402 55.114 54.840 -0.214 0.000 0.836 36 L CB -0.368 41.627 42.059 -0.106 0.000 0.960 36 L HN 0.277 nan 8.230 nan 0.000 0.455 37 S N -0.279 115.120 115.700 -0.500 0.000 2.336 37 S HA -0.154 4.316 4.470 -0.000 0.000 0.216 37 S C 1.825 176.098 174.600 -0.544 0.000 1.032 37 S CA 0.913 58.680 58.200 -0.722 0.000 0.973 37 S CB -0.049 62.232 63.200 -1.531 0.000 0.888 37 S HN 0.375 nan 8.310 nan 0.000 0.455 38 E N 1.682 121.596 120.200 -0.477 0.000 2.097 38 E HA -0.147 4.203 4.350 -0.000 0.000 0.196 38 E C 1.972 178.468 176.600 -0.175 0.000 1.000 38 E CA 1.661 57.890 56.400 -0.284 0.000 0.804 38 E CB -0.448 29.134 29.700 -0.197 0.000 0.740 38 E HN 0.434 nan 8.360 nan 0.000 0.454 39 V N -1.317 118.513 119.914 -0.141 0.000 2.667 39 V HA -0.096 4.024 4.120 -0.000 0.000 0.252 39 V C 2.059 178.098 176.094 -0.092 0.000 1.065 39 V CA 1.991 64.246 62.300 -0.076 0.000 1.083 39 V CB -0.706 31.111 31.823 -0.009 0.000 0.692 39 V HN 0.139 nan 8.190 nan 0.000 0.468 40 D N 0.954 121.254 120.400 -0.168 0.000 2.084 40 D HA -0.151 4.489 4.640 -0.000 0.000 0.194 40 D C 1.945 178.167 176.300 -0.131 0.000 0.990 40 D CA 2.166 56.048 54.000 -0.195 0.000 0.826 40 D CB -0.286 40.318 40.800 -0.326 0.000 0.971 40 D HN 0.496 nan 8.370 nan 0.000 0.453 41 I N 0.210 120.698 120.570 -0.137 0.000 2.163 41 I HA -0.314 3.856 4.170 -0.000 0.000 0.243 41 I C 2.446 178.543 176.117 -0.033 0.000 1.085 41 I CA 1.286 62.543 61.300 -0.072 0.000 1.347 41 I CB -0.462 37.495 38.000 -0.071 0.000 1.044 41 I HN 0.178 nan 8.210 nan 0.000 0.408 42 Q N 0.451 120.228 119.800 -0.039 0.000 2.226 42 Q HA -0.144 4.196 4.340 -0.000 0.000 0.204 42 Q C 2.331 178.343 176.000 0.019 0.000 0.975 42 Q CA 1.457 57.255 55.803 -0.008 0.000 0.866 42 Q CB -0.384 28.344 28.738 -0.016 0.000 0.915 42 Q HN 0.672 nan 8.270 nan 0.000 0.440 43 G N -0.136 108.668 108.800 0.007 0.000 2.421 43 G HA2 -0.182 3.778 3.960 -0.000 0.000 0.217 43 G HA3 -0.182 3.778 3.960 -0.000 0.000 0.217 43 G C 1.436 176.366 174.900 0.049 0.000 1.143 43 G CA 0.713 45.828 45.100 0.025 0.000 0.784 43 G HN 0.220 nan 8.290 nan 0.000 0.541 44 S N 0.269 115.991 115.700 0.038 0.000 2.406 44 S HA 0.059 4.529 4.470 -0.000 0.000 0.224 44 S C 2.381 177.040 174.600 0.098 0.000 1.030 44 S CA 0.672 58.921 58.200 0.080 0.000 0.958 44 S CB -0.172 63.059 63.200 0.052 0.000 0.811 44 S HN 0.305 nan 8.310 nan 0.000 0.489 45 M N 1.403 121.039 119.600 0.061 0.000 2.080 45 M HA -0.127 4.353 4.480 -0.000 0.000 0.260 45 M C 2.517 178.852 176.300 0.058 0.000 1.068 45 M CA 1.639 56.970 55.300 0.051 0.000 1.109 45 M CB -0.616 32.004 32.600 0.033 0.000 1.342 45 M HN 0.404 nan 8.290 nan 0.000 0.405 46 A N -0.863 122.002 122.820 0.074 0.000 1.930 46 A HA -0.203 4.117 4.320 -0.000 0.000 0.217 46 A C 1.964 179.609 177.584 0.102 0.000 1.175 46 A CA 1.294 53.378 52.037 0.078 0.000 0.627 46 A CB -0.953 18.101 19.000 0.090 0.000 0.815 46 A HN 0.572 nan 8.150 nan 0.000 0.443 47 Y N 0.330 120.630 120.300 -0.000 0.000 2.457 47 Y HA 0.144 4.694 4.550 0.000 0.000 0.292 47 Y C 2.453 178.351 175.900 -0.002 0.000 1.125 47 Y CA 0.409 58.506 58.100 -0.005 0.000 1.254 47 Y CB -0.288 38.168 38.460 -0.006 0.000 1.012 47 Y HN 0.317 nan 8.280 nan 0.000 0.555 48 A N 0.356 123.196 122.820 0.035 0.000 1.854 48 A HA -0.126 4.194 4.320 -0.000 0.000 0.214 48 A C 2.213 179.756 177.584 -0.069 0.000 1.192 48 A CA 1.591 53.614 52.037 -0.024 0.000 0.611 48 A CB -0.448 18.570 19.000 0.029 0.000 0.832 48 A HN 0.400 nan 8.150 nan 0.000 0.442 49 K N -0.109 120.269 120.400 -0.037 0.000 2.152 49 K HA -0.123 4.196 4.320 -0.000 0.000 0.206 49 K C 2.095 178.651 176.600 -0.074 0.000 1.048 49 K CA 1.223 57.486 56.287 -0.040 0.000 0.933 49 K CB -0.299 32.191 32.500 -0.016 0.000 0.721 49 K HN 0.453 nan 8.250 nan 0.000 0.447 50 A N 0.678 123.431 122.820 -0.112 0.000 2.016 50 A HA -0.051 4.269 4.320 -0.000 0.000 0.217 50 A C 1.943 179.385 177.584 -0.237 0.000 1.162 50 A CA 0.728 52.672 52.037 -0.156 0.000 0.662 50 A CB -0.147 18.758 19.000 -0.159 0.000 0.812 50 A HN 0.129 nan 8.150 nan 0.000 0.450 51 L N -0.377 120.662 121.223 -0.307 0.000 2.240 51 L HA -0.008 4.332 4.340 -0.000 0.000 0.211 51 L C 2.266 179.044 176.870 -0.153 0.000 1.106 51 L CA 1.676 56.334 54.840 -0.302 0.000 0.793 51 L CB -0.322 41.541 42.059 -0.327 0.000 0.927 51 L HN 0.465 nan 8.230 nan 0.000 0.446 52 E N 0.174 120.306 120.200 -0.113 0.000 2.152 52 E HA -0.264 4.086 4.350 -0.000 0.000 0.192 52 E C 2.004 178.568 176.600 -0.061 0.000 0.983 52 E CA 1.015 57.374 56.400 -0.069 0.000 0.818 52 E CB 0.086 29.757 29.700 -0.049 0.000 0.758 52 E HN 0.467 nan 8.360 nan 0.000 0.467 53 K N -0.346 120.012 120.400 -0.070 0.000 2.432 53 K HA 0.062 4.382 4.320 -0.000 0.000 0.196 53 K C 1.593 178.159 176.600 -0.057 0.000 1.038 53 K CA 0.730 56.983 56.287 -0.055 0.000 0.986 53 K CB 0.049 32.517 32.500 -0.052 0.000 0.782 53 K HN 0.068 nan 8.250 nan 0.000 0.485 54 A N -0.135 122.641 122.820 -0.074 0.000 2.178 54 A HA 0.242 4.562 4.320 -0.000 0.000 0.211 54 A C 1.449 179.003 177.584 -0.049 0.000 1.157 54 A CA 0.834 52.831 52.037 -0.066 0.000 0.780 54 A CB -0.080 18.866 19.000 -0.091 0.000 0.828 54 A HN 0.485 nan 8.150 nan 0.000 0.476 55 G N -0.586 108.186 108.800 -0.047 0.000 2.238 55 G HA2 -0.222 3.738 3.960 -0.000 0.000 0.217 55 G HA3 -0.222 3.738 3.960 -0.000 0.000 0.217 55 G C 0.784 175.665 174.900 -0.032 0.000 0.996 55 G CA 0.257 45.337 45.100 -0.034 0.000 0.632 55 G HN 0.273 nan 8.290 nan 0.000 0.503 56 I N 1.005 121.549 120.570 -0.043 0.000 2.700 56 I HA 0.181 4.351 4.170 -0.000 0.000 0.261 56 I C 1.402 177.501 176.117 -0.030 0.000 1.219 56 I CA 1.320 62.598 61.300 -0.036 0.000 1.463 56 I CB -0.993 36.977 38.000 -0.049 0.000 1.092 56 I HN 0.293 nan 8.210 nan 0.000 0.452 57 L N -0.841 120.360 121.223 -0.036 0.000 2.341 57 L HA 0.454 4.794 4.340 -0.000 0.000 0.254 57 L C -0.003 176.854 176.870 -0.022 0.000 1.040 57 L CA -0.627 54.197 54.840 -0.026 0.000 0.837 57 L CB 2.217 44.257 42.059 -0.032 0.000 1.425 57 L HN -0.052 nan 8.230 nan 0.000 0.414 58 T N -3.899 110.646 114.554 -0.014 0.000 2.916 58 T HA 0.381 4.731 4.350 -0.000 0.000 0.292 58 T C 0.560 175.254 174.700 -0.009 0.000 1.055 58 T CA -0.919 61.174 62.100 -0.012 0.000 1.009 58 T CB 2.159 71.022 68.868 -0.008 0.000 1.118 58 T HN 0.365 nan 8.240 nan 0.000 0.497 59 K N 0.977 121.371 120.400 -0.009 0.000 2.127 59 K HA -0.133 4.187 4.320 -0.000 0.000 0.208 59 K C 2.188 178.787 176.600 -0.003 0.000 1.047 59 K CA 1.915 58.199 56.287 -0.006 0.000 0.927 59 K CB -1.137 31.360 32.500 -0.005 0.000 0.716 59 K HN 0.778 nan 8.250 nan 0.000 0.450 60 T N 1.220 115.773 114.554 -0.002 0.000 2.614 60 T HA -0.136 4.214 4.350 -0.000 0.000 0.263 60 T C 1.796 176.498 174.700 0.003 0.000 1.055 60 T CA 1.493 63.594 62.100 0.001 0.000 1.162 60 T CB -0.220 68.648 68.868 0.001 0.000 0.863 60 T HN 0.375 nan 8.240 nan 0.000 0.414 61 E N 0.612 120.813 120.200 0.002 0.000 2.070 61 E HA -0.169 4.181 4.350 -0.000 0.000 0.197 61 E C 2.192 178.796 176.600 0.006 0.000 1.004 61 E CA 1.072 57.475 56.400 0.005 0.000 0.805 61 E CB -0.352 29.349 29.700 0.003 0.000 0.744 61 E HN 0.169 nan 8.360 nan 0.000 0.451 62 L N 1.444 122.667 121.223 0.001 0.000 2.043 62 L HA -0.258 4.082 4.340 -0.000 0.000 0.212 62 L C 2.463 179.337 176.870 0.006 0.000 1.075 62 L CA 2.758 57.599 54.840 0.001 0.000 0.752 62 L CB -0.853 41.202 42.059 -0.007 0.000 0.891 62 L HN 0.215 nan 8.230 nan 0.000 0.432 63 E N -0.443 119.760 120.200 0.006 0.000 2.077 63 E HA -0.258 4.092 4.350 -0.000 0.000 0.193 63 E C 2.120 178.728 176.600 0.013 0.000 0.989 63 E CA 1.641 58.046 56.400 0.008 0.000 0.800 63 E CB -0.720 28.984 29.700 0.006 0.000 0.746 63 E HN 0.486 nan 8.360 nan 0.000 0.452 64 K N -0.365 120.043 120.400 0.013 0.000 2.362 64 K HA 0.183 4.503 4.320 -0.000 0.000 0.200 64 K C 1.834 178.448 176.600 0.023 0.000 1.046 64 K CA 0.775 57.072 56.287 0.017 0.000 0.952 64 K CB -0.066 32.443 32.500 0.016 0.000 0.753 64 K HN 0.581 nan 8.250 nan 0.000 0.466 65 I N -0.943 119.641 120.570 0.023 0.000 2.499 65 I HA -0.089 4.081 4.170 -0.000 0.000 0.243 65 I C 1.520 177.656 176.117 0.032 0.000 1.085 65 I CA 0.146 61.464 61.300 0.031 0.000 1.422 65 I CB -0.121 37.898 38.000 0.031 0.000 1.165 65 I HN -0.015 nan 8.210 nan 0.000 0.440 66 L N 0.325 121.563 121.223 0.025 0.000 2.642 66 L HA -0.097 4.243 4.340 -0.000 0.000 0.236 66 L C 2.011 178.895 176.870 0.024 0.000 1.169 66 L CA 1.363 56.217 54.840 0.024 0.000 0.851 66 L CB -0.544 41.525 42.059 0.017 0.000 0.968 66 L HN 0.136 nan 8.230 nan 0.000 0.453 67 S N -2.365 113.350 115.700 0.025 0.000 2.524 67 S HA 0.210 4.680 4.470 -0.000 0.000 0.222 67 S C 1.756 176.375 174.600 0.032 0.000 1.040 67 S CA 0.348 58.563 58.200 0.025 0.000 0.915 67 S CB 0.062 63.274 63.200 0.020 0.000 0.831 67 S HN 0.463 nan 8.310 nan 0.000 0.492 68 G N 1.672 110.494 108.800 0.037 0.000 2.459 68 G HA2 0.114 4.074 3.960 -0.000 0.000 0.213 68 G HA3 0.114 4.074 3.960 -0.000 0.000 0.213 68 G C 1.286 176.221 174.900 0.060 0.000 1.155 68 G CA 0.288 45.416 45.100 0.047 0.000 0.811 68 G HN 0.447 nan 8.290 nan 0.000 0.534 69 L N 0.407 121.664 121.223 0.055 0.000 2.017 69 L HA -0.050 4.290 4.340 -0.000 0.000 0.208 69 L C 2.702 179.607 176.870 0.059 0.000 1.073 69 L CA 1.630 56.506 54.840 0.060 0.000 0.745 69 L CB -0.479 41.607 42.059 0.046 0.000 0.894 69 L HN 0.316 nan 8.230 nan 0.000 0.432 70 E N 0.722 120.949 120.200 0.045 0.000 2.209 70 E HA -0.290 4.060 4.350 -0.000 0.000 0.196 70 E C 2.017 178.648 176.600 0.052 0.000 0.993 70 E CA 1.248 57.673 56.400 0.041 0.000 0.819 70 E CB 0.165 29.883 29.700 0.030 0.000 0.745 70 E HN 0.154 nan 8.360 nan 0.000 0.477 71 K N 0.364 120.798 120.400 0.056 0.000 2.228 71 K HA 0.038 4.358 4.320 -0.000 0.000 0.202 71 K C 1.738 178.386 176.600 0.080 0.000 1.051 71 K CA 0.649 56.971 56.287 0.058 0.000 0.960 71 K CB 0.041 32.571 32.500 0.051 0.000 0.743 71 K HN 0.215 nan 8.250 nan 0.000 0.458 72 I N -0.478 120.158 120.570 0.110 0.000 2.480 72 I HA -0.147 4.023 4.170 -0.000 0.000 0.251 72 I C 1.623 177.894 176.117 0.257 0.000 1.124 72 I CA 0.623 62.025 61.300 0.170 0.000 1.444 72 I CB -0.071 38.051 38.000 0.203 0.000 1.098 72 I HN 0.001 nan 8.210 nan 0.000 0.428 73 S N 0.374 116.181 115.700 0.178 0.000 2.399 73 S HA -0.220 4.250 4.470 -0.000 0.000 0.231 73 S C 1.881 176.574 174.600 0.154 0.000 1.022 73 S CA 1.247 59.541 58.200 0.158 0.000 0.983 73 S CB -0.276 62.959 63.200 0.057 0.000 0.803 73 S HN 0.457 nan 8.310 nan 0.000 0.480 74 E N 1.208 121.473 120.200 0.109 0.000 2.077 74 E HA -0.202 4.148 4.350 -0.000 0.000 0.193 74 E C 1.838 178.480 176.600 0.071 0.000 0.989 74 E CA 1.125 57.569 56.400 0.074 0.000 0.800 74 E CB -0.009 29.722 29.700 0.052 0.000 0.746 74 E HN 0.601 nan 8.360 nan 0.000 0.452 75 E N -0.400 119.838 120.200 0.063 0.000 2.028 75 E HA -0.171 4.179 4.350 -0.000 0.000 0.190 75 E C 1.852 178.435 176.600 -0.027 0.000 0.984 75 E CA 1.231 57.620 56.400 -0.020 0.000 0.800 75 E CB -0.247 29.395 29.700 -0.098 0.000 0.758 75 E HN 0.402 nan 8.360 nan 0.000 0.448 76 W N 1.411 122.688 121.300 -0.038 0.000 2.338 76 W HA -0.132 4.528 4.660 -0.000 0.000 0.304 76 W C 2.001 178.501 176.519 -0.032 0.000 1.212 76 W CA 0.810 58.120 57.345 -0.057 0.000 1.264 76 W CB -0.415 28.973 29.460 -0.119 0.000 1.142 76 W HN -0.145 nan 8.180 nan 0.000 0.512 77 S N 0.683 116.501 115.700 0.196 0.000 3.009 77 S HA 0.035 4.505 4.470 -0.000 0.000 0.243 77 S C 1.164 175.805 174.600 0.069 0.000 1.012 77 S CA 0.557 58.822 58.200 0.108 0.000 1.113 77 S CB -0.422 62.824 63.200 0.077 0.000 0.827 77 S HN 0.229 nan 8.310 nan 0.000 0.495 78 K N -0.690 119.746 120.400 0.061 0.000 3.080 78 K HA 0.239 4.559 4.320 -0.000 0.000 0.200 78 K C 0.661 177.272 176.600 0.018 0.000 1.741 78 K CA 0.664 56.968 56.287 0.029 0.000 1.386 78 K CB 0.630 33.138 32.500 0.013 0.000 2.059 78 K HN 0.277 nan 8.250 nan 0.000 0.612 79 G N 1.898 110.697 108.800 -0.002 0.000 2.511 79 G HA2 0.019 3.979 3.960 -0.000 0.000 0.205 79 G HA3 0.019 3.979 3.960 -0.000 0.000 0.205 79 G C -0.917 173.941 174.900 -0.069 0.000 1.098 79 G CA -0.417 44.671 45.100 -0.020 0.000 0.812 79 G HN 0.015 nan 8.290 nan 0.000 0.497 80 V N 0.198 120.027 119.914 -0.142 0.000 2.686 80 V HA 0.951 5.071 4.120 -0.000 0.000 0.306 80 V C 0.047 176.019 176.094 -0.203 0.000 1.065 80 V CA -0.048 62.168 62.300 -0.141 0.000 0.894 80 V CB 1.825 33.591 31.823 -0.095 0.000 1.004 80 V HN 0.995 nan 8.190 nan 0.000 0.424 81 F N 3.088 122.808 119.950 -0.383 0.000 2.955 81 F HA 0.098 4.625 4.527 -0.000 0.000 0.265 81 F C 0.066 175.707 175.800 -0.265 0.000 1.223 81 F CA 0.677 58.412 58.000 -0.442 0.000 0.940 81 F CB -0.141 38.290 39.000 -0.947 0.000 2.582 81 F HN 0.642 nan 8.300 nan 0.000 0.198 82 V N 3.261 123.114 119.914 -0.101 0.000 5.239 82 V HA 0.189 4.309 4.120 -0.000 0.000 0.368 82 V C -0.929 175.040 176.094 -0.209 0.000 0.692 82 V CA 0.940 63.198 62.300 -0.070 0.000 1.396 82 V CB -1.037 30.790 31.823 0.007 0.000 1.652 82 V HN 1.752 nan 8.190 nan 0.000 0.463 83 V N 5.121 124.883 119.914 -0.253 0.000 3.206 83 V HA 0.836 4.956 4.120 -0.000 0.000 0.305 83 V C 0.521 176.547 176.094 -0.113 0.000 1.257 83 V CA -0.862 61.314 62.300 -0.206 0.000 1.057 83 V CB 1.738 33.380 31.823 -0.301 0.000 1.075 83 V HN 1.025 nan 8.190 nan 0.000 0.443 84 K N -0.023 120.327 120.400 -0.085 0.000 2.573 84 K HA -0.239 4.081 4.320 -0.000 0.000 0.146 84 K C 0.637 177.227 176.600 -0.016 0.000 1.388 84 K CA 2.299 58.559 56.287 -0.045 0.000 0.810 84 K CB -1.585 30.888 32.500 -0.045 0.000 0.547 84 K HN 1.909 nan 8.250 nan 0.000 1.018 85 Q N -1.136 118.661 119.800 -0.004 0.000 1.950 85 Q HA 0.239 4.579 4.340 -0.000 0.000 0.207 85 Q C 1.025 177.035 176.000 0.017 0.000 0.813 85 Q CA 0.971 56.782 55.803 0.012 0.000 0.989 85 Q CB -0.103 nan 28.738 nan 0.000 1.241 85 Q HN 0.649 nan 8.270 nan 0.000 0.418 86 S N -0.255 115.454 115.700 0.015 0.000 2.483 86 S HA 0.018 4.488 4.470 -0.000 0.000 0.221 86 S C 0.697 175.316 174.600 0.031 0.000 1.030 86 S CA 0.592 58.803 58.200 0.018 0.000 0.925 86 S CB -0.193 63.015 63.200 0.012 0.000 0.795 86 S HN 0.687 nan 8.310 nan 0.000 0.511 87 D N 2.468 122.892 120.400 0.040 0.000 2.367 87 D HA 0.115 4.755 4.640 -0.000 0.000 0.255 87 D C 0.390 176.737 176.300 0.079 0.000 1.300 87 D CA -0.063 53.977 54.000 0.067 0.000 0.959 87 D CB 0.653 41.504 40.800 0.085 0.000 1.064 87 D HN 0.491 nan 8.370 nan 0.000 0.509 88 E N 2.059 122.299 120.200 0.067 0.000 1.989 88 E HA -0.114 4.236 4.350 -0.000 0.000 0.214 88 E C 0.448 177.102 176.600 0.091 0.000 0.915 88 E CA 0.497 56.935 56.400 0.062 0.000 1.012 88 E CB -0.048 29.674 29.700 0.038 0.000 0.865 88 E HN 0.670 nan 8.360 nan 0.000 0.577 89 D N 1.179 121.629 120.400 0.083 0.000 2.443 89 D HA -0.090 4.550 4.640 -0.000 0.000 0.239 89 D C 1.041 177.479 176.300 0.230 0.000 1.136 89 D CA -0.107 53.972 54.000 0.133 0.000 0.879 89 D CB 1.321 42.145 40.800 0.039 0.000 1.195 89 D HN 0.129 nan 8.370 nan 0.000 0.443 90 I N 1.766 122.485 120.570 0.248 0.000 2.367 90 I HA -0.361 3.809 4.170 -0.000 0.000 0.256 90 I C 1.633 177.863 176.117 0.188 0.000 1.132 90 I CA 1.760 63.179 61.300 0.199 0.000 1.397 90 I CB -0.559 37.470 38.000 0.048 0.000 1.074 90 I HN 0.412 nan 8.210 nan 0.000 0.435 91 H N 0.051 119.152 119.070 0.052 0.000 2.289 91 H HA -0.165 4.391 4.556 -0.000 0.000 0.296 91 H C 2.465 177.842 175.328 0.083 0.000 1.091 91 H CA 2.479 58.552 56.048 0.042 0.000 1.274 91 H CB -1.357 28.414 29.762 0.014 0.000 1.364 91 H HN 0.530 nan 8.280 nan 0.000 0.490 92 T N -1.749 112.944 114.554 0.233 0.000 2.867 92 T HA -0.055 4.295 4.350 -0.000 0.000 0.268 92 T C 2.314 177.136 174.700 0.204 0.000 1.057 92 T CA 1.050 63.251 62.100 0.169 0.000 1.136 92 T CB -0.613 68.328 68.868 0.121 0.000 0.874 92 T HN 0.404 nan 8.240 nan 0.000 0.466 93 A N 2.537 125.522 122.820 0.275 0.000 1.940 93 A HA -0.136 4.184 4.320 -0.000 0.000 0.219 93 A C 2.451 180.401 177.584 0.611 0.000 1.176 93 A CA 1.681 53.981 52.037 0.438 0.000 0.631 93 A CB -0.610 18.766 19.000 0.627 0.000 0.814 93 A HN 0.586 nan 8.150 nan 0.000 0.446 94 N N -0.885 118.053 118.700 0.398 0.000 2.258 94 N HA -0.085 4.654 4.740 -0.000 0.000 0.183 94 N C 1.819 177.460 175.510 0.219 0.000 1.029 94 N CA 1.226 54.463 53.050 0.312 0.000 0.857 94 N CB -0.452 38.110 38.487 0.126 0.000 1.008 94 N HN 0.741 nan 8.380 nan 0.000 0.433 95 E N 1.657 121.955 120.200 0.163 0.000 2.049 95 E HA -0.199 4.151 4.350 -0.000 0.000 0.198 95 E C 1.991 178.659 176.600 0.114 0.000 1.007 95 E CA 1.081 57.554 56.400 0.122 0.000 0.809 95 E CB 0.002 29.767 29.700 0.108 0.000 0.749 95 E HN 0.150 nan 8.360 nan 0.000 0.450 96 R N 0.031 120.601 120.500 0.116 0.000 2.293 96 R HA -0.144 4.196 4.340 -0.000 0.000 0.219 96 R C 2.256 178.604 176.300 0.080 0.000 1.091 96 R CA 1.078 57.228 56.100 0.082 0.000 1.004 96 R CB -0.023 30.317 30.300 0.066 0.000 0.865 96 R HN -0.015 nan 8.270 nan 0.000 0.469 97 R N 0.342 120.922 120.500 0.133 0.000 2.062 97 R HA -0.002 4.338 4.340 -0.000 0.000 0.226 97 R C 1.978 178.341 176.300 0.105 0.000 1.125 97 R CA 1.094 57.274 56.100 0.134 0.000 0.966 97 R CB -0.558 29.923 30.300 0.302 0.000 0.861 97 R HN 0.156 nan 8.270 nan 0.000 0.433 98 L N 0.925 122.215 121.223 0.112 0.000 2.021 98 L HA -0.244 4.096 4.340 -0.000 0.000 0.215 98 L C 1.941 178.846 176.870 0.058 0.000 1.074 98 L CA 1.944 56.834 54.840 0.083 0.000 0.760 98 L CB -1.105 41.002 42.059 0.079 0.000 0.889 98 L HN 0.151 nan 8.230 nan 0.000 0.433 99 K N -0.095 120.336 120.400 0.052 0.000 2.173 99 K HA -0.192 4.128 4.320 -0.000 0.000 0.207 99 K C 1.984 178.600 176.600 0.027 0.000 1.046 99 K CA 1.010 57.318 56.287 0.035 0.000 0.929 99 K CB -0.155 32.363 32.500 0.030 0.000 0.720 99 K HN 0.376 nan 8.250 nan 0.000 0.453 100 E N 0.014 120.231 120.200 0.028 0.000 2.014 100 E HA -0.047 4.303 4.350 -0.000 0.000 0.190 100 E C 2.003 178.617 176.600 0.022 0.000 0.980 100 E CA 0.644 57.054 56.400 0.017 0.000 0.807 100 E CB -0.391 29.313 29.700 0.007 0.000 0.770 100 E HN 0.080 nan 8.360 nan 0.000 0.451 101 L N 0.935 122.179 121.223 0.034 0.000 2.021 101 L HA -0.190 4.150 4.340 -0.000 0.000 0.215 101 L C 2.529 179.417 176.870 0.029 0.000 1.074 101 L CA 1.857 56.718 54.840 0.035 0.000 0.760 101 L CB -1.228 40.862 42.059 0.051 0.000 0.889 101 L HN 0.267 nan 8.230 nan 0.000 0.433 102 I N -5.287 115.302 120.570 0.031 0.000 3.632 102 I HA 0.622 4.791 4.170 -0.000 0.000 0.246 102 I C 1.003 177.133 176.117 0.022 0.000 1.125 102 I CA 0.527 61.843 61.300 0.026 0.000 1.519 102 I CB 0.539 38.556 38.000 0.028 0.000 1.555 102 I HN 0.156 nan 8.210 nan 0.000 0.452 103 G N 0.999 109.814 108.800 0.025 0.000 2.356 103 G HA2 -0.053 3.907 3.960 -0.000 0.000 0.266 103 G HA3 -0.053 3.907 3.960 -0.000 0.000 0.266 103 G C -1.317 173.597 174.900 0.024 0.000 1.312 103 G CA 0.116 45.228 45.100 0.022 0.000 0.922 103 G HN 0.197 nan 8.290 nan 0.000 0.480 104 D N -0.351 120.061 120.400 0.020 0.000 2.403 104 D HA -0.008 4.632 4.640 -0.000 0.000 0.227 104 D C 2.128 178.441 176.300 0.022 0.000 0.995 104 D CA 0.688 54.700 54.000 0.021 0.000 0.928 104 D CB 0.193 41.003 40.800 0.016 0.000 0.887 104 D HN 0.325 nan 8.370 nan 0.000 0.529 105 I N 0.476 121.059 120.570 0.022 0.000 2.439 105 I HA -0.101 4.069 4.170 -0.000 0.000 0.251 105 I C 1.998 178.133 176.117 0.029 0.000 1.139 105 I CA 0.719 62.032 61.300 0.022 0.000 1.438 105 I CB -0.351 37.661 38.000 0.020 0.000 1.085 105 I HN -0.019 nan 8.210 nan 0.000 0.427 106 A N 0.516 123.357 122.820 0.035 0.000 2.032 106 A HA -0.120 4.200 4.320 -0.000 0.000 0.221 106 A C 2.428 180.041 177.584 0.048 0.000 1.165 106 A CA 1.549 53.613 52.037 0.045 0.000 0.645 106 A CB -1.802 17.227 19.000 0.050 0.000 0.807 106 A HN 0.527 nan 8.150 nan 0.000 0.453 107 G N 0.022 108.846 108.800 0.041 0.000 2.469 107 G HA2 -0.299 3.661 3.960 -0.000 0.000 0.219 107 G HA3 -0.299 3.661 3.960 -0.000 0.000 0.219 107 G C 1.605 176.534 174.900 0.047 0.000 1.150 107 G CA 1.158 46.283 45.100 0.041 0.000 0.763 107 G HN 0.622 nan 8.290 nan 0.000 0.561 108 K N -0.326 120.099 120.400 0.043 0.000 2.211 108 K HA -0.039 4.281 4.320 -0.000 0.000 0.204 108 K C 2.280 178.925 176.600 0.074 0.000 1.047 108 K CA 0.716 57.031 56.287 0.046 0.000 0.935 108 K CB -0.267 32.251 32.500 0.029 0.000 0.728 108 K HN 0.280 nan 8.250 nan 0.000 0.452 109 L N 1.863 123.136 121.223 0.083 0.000 2.189 109 L HA -0.221 4.119 4.340 -0.000 0.000 0.214 109 L C 1.391 178.380 176.870 0.198 0.000 1.097 109 L CA 1.747 56.664 54.840 0.129 0.000 0.764 109 L CB -0.501 41.621 42.059 0.106 0.000 0.900 109 L HN 0.231 nan 8.230 nan 0.000 0.436 110 N N -1.797 116.984 118.700 0.134 0.000 2.270 110 N HA -0.012 4.728 4.740 -0.000 0.000 0.198 110 N C -0.318 175.272 175.510 0.133 0.000 1.117 110 N CA -0.020 53.094 53.050 0.107 0.000 0.845 110 N CB 0.172 38.688 38.487 0.047 0.000 0.980 110 N HN 0.258 nan 8.380 nan 0.000 0.486 111 T N 0.337 114.989 114.554 0.162 0.000 2.792 111 T HA 0.154 4.504 4.350 -0.000 0.000 0.286 111 T C 1.189 176.002 174.700 0.188 0.000 0.970 111 T CA 0.930 63.106 62.100 0.127 0.000 1.187 111 T CB 0.572 69.488 68.868 0.080 0.000 0.915 111 T HN 0.499 nan 8.240 nan 0.000 0.529 112 G N 3.457 112.329 108.800 0.120 0.000 2.304 112 G HA2 -0.294 3.666 3.960 -0.000 0.000 0.252 112 G HA3 -0.294 3.666 3.960 -0.000 0.000 0.252 112 G C 0.369 175.328 174.900 0.100 0.000 1.014 112 G CA 0.333 45.507 45.100 0.123 0.000 0.619 112 G HN 0.800 nan 8.290 nan 0.000 0.525 113 R N 0.833 121.369 120.500 0.061 0.000 2.560 113 R HA 0.614 4.954 4.340 -0.000 0.000 0.270 113 R C -0.061 176.161 176.300 -0.129 0.000 1.074 113 R CA 0.516 56.502 56.100 -0.189 0.000 1.140 113 R CB 0.905 30.887 30.300 -0.530 0.000 1.073 113 R HN 0.279 nan 8.270 nan 0.000 0.527 114 S N 0.085 115.688 115.700 -0.162 0.000 2.599 114 S HA 0.315 4.785 4.470 -0.000 0.000 0.294 114 S C 0.173 174.678 174.600 -0.159 0.000 1.094 114 S CA -0.993 57.124 58.200 -0.138 0.000 0.931 114 S CB 1.328 64.449 63.200 -0.131 0.000 1.093 114 S HN 0.698 nan 8.310 nan 0.000 0.488 115 R N 2.583 122.981 120.500 -0.170 0.000 2.280 115 R HA 0.192 4.532 4.340 -0.000 0.000 0.207 115 R C 1.174 177.328 176.300 -0.244 0.000 1.043 115 R CA 1.015 56.998 56.100 -0.195 0.000 1.006 115 R CB -0.838 29.327 30.300 -0.225 0.000 0.885 115 R HN 0.424 nan 8.270 nan 0.000 0.467 116 N N 1.442 119.965 118.700 -0.296 0.000 2.250 116 N HA -0.118 4.622 4.740 -0.000 0.000 0.181 116 N C 0.764 176.174 175.510 -0.167 0.000 1.017 116 N CA 1.627 54.467 53.050 -0.349 0.000 0.866 116 N CB -0.150 38.082 38.487 -0.425 0.000 0.985 116 N HN 0.550 nan 8.380 nan 0.000 0.429 117 D N 0.028 120.344 120.400 -0.139 0.000 2.350 117 D HA -0.082 4.558 4.640 -0.000 0.000 0.213 117 D C 1.534 177.775 176.300 -0.097 0.000 1.031 117 D CA 0.213 54.151 54.000 -0.103 0.000 0.861 117 D CB -0.043 40.690 40.800 -0.112 0.000 0.926 117 D HN 0.307 nan 8.370 nan 0.000 0.520 118 Q N 0.635 120.379 119.800 -0.094 0.000 2.212 118 Q HA -0.030 4.310 4.340 -0.000 0.000 0.199 118 Q C 2.037 178.075 176.000 0.063 0.000 0.950 118 Q CA 0.541 56.319 55.803 -0.042 0.000 0.863 118 Q CB 0.285 29.005 28.738 -0.030 0.000 0.944 118 Q HN 0.103 nan 8.270 nan 0.000 0.465 119 V N 0.075 120.025 119.914 0.061 0.000 2.488 119 V HA -0.125 3.995 4.120 -0.000 0.000 0.246 119 V C 2.042 178.199 176.094 0.106 0.000 1.046 119 V CA 1.432 63.809 62.300 0.128 0.000 1.053 119 V CB 0.306 32.149 31.823 0.033 0.000 0.679 119 V HN 0.411 nan 8.190 nan 0.000 0.458 120 V N -0.239 119.718 119.914 0.072 0.000 2.548 120 V HA -0.188 3.932 4.120 -0.000 0.000 0.249 120 V C 2.473 178.572 176.094 0.008 0.000 1.055 120 V CA 2.850 65.202 62.300 0.086 0.000 1.065 120 V CB -0.363 31.504 31.823 0.073 0.000 0.681 120 V HN 0.713 nan 8.190 nan 0.000 0.462 121 T N 0.089 114.641 114.554 -0.003 0.000 2.746 121 T HA -0.152 4.198 4.350 -0.000 0.000 0.267 121 T C 1.549 176.301 174.700 0.086 0.000 1.039 121 T CA 1.732 63.840 62.100 0.014 0.000 1.142 121 T CB -0.385 68.468 68.868 -0.025 0.000 0.866 121 T HN 0.555 nan 8.240 nan 0.000 0.444 122 D N 1.012 121.456 120.400 0.073 0.000 2.097 122 D HA -0.014 4.626 4.640 -0.000 0.000 0.195 122 D C 2.102 178.486 176.300 0.140 0.000 0.989 122 D CA 0.612 54.660 54.000 0.079 0.000 0.827 122 D CB -0.470 40.361 40.800 0.053 0.000 0.966 122 D HN 0.250 nan 8.370 nan 0.000 0.456 123 L N 0.521 121.832 121.223 0.146 0.000 2.017 123 L HA -0.179 4.161 4.340 -0.000 0.000 0.208 123 L C 2.235 179.222 176.870 0.195 0.000 1.073 123 L CA 1.357 56.324 54.840 0.211 0.000 0.745 123 L CB -0.070 42.144 42.059 0.258 0.000 0.894 123 L HN 0.004 nan 8.230 nan 0.000 0.432 124 K N -0.310 120.106 120.400 0.026 0.000 2.097 124 K HA -0.172 4.148 4.320 -0.000 0.000 0.206 124 K C 2.012 178.599 176.600 -0.023 0.000 1.049 124 K CA 1.100 57.342 56.287 -0.075 0.000 0.933 124 K CB -0.129 32.279 32.500 -0.153 0.000 0.717 124 K HN 0.287 nan 8.250 nan 0.000 0.442 125 L N -0.132 121.113 121.223 0.037 0.000 2.093 125 L HA -0.147 4.193 4.340 -0.000 0.000 0.208 125 L C 2.339 179.187 176.870 -0.037 0.000 1.085 125 L CA 0.876 55.678 54.840 -0.063 0.000 0.755 125 L CB -0.370 41.689 42.059 -0.000 0.000 0.904 125 L HN 0.102 nan 8.230 nan 0.000 0.435 126 F N 0.799 120.722 119.950 -0.045 0.000 2.075 126 F HA -0.255 4.272 4.527 -0.000 0.000 0.297 126 F C 2.453 178.222 175.800 -0.052 0.000 1.113 126 F CA 1.701 59.689 58.000 -0.020 0.000 1.218 126 F CB -0.189 38.866 39.000 0.092 0.000 0.984 126 F HN -0.071 nan 8.300 nan 0.000 0.472 127 M N 0.007 119.560 119.600 -0.078 0.000 2.229 127 M HA -0.180 4.300 4.480 -0.000 0.000 0.264 127 M C 2.258 178.375 176.300 -0.306 0.000 1.063 127 M CA 1.647 56.789 55.300 -0.264 0.000 1.114 127 M CB -0.513 32.000 32.600 -0.145 0.000 1.387 127 M HN 0.132 nan 8.290 nan 0.000 0.420 128 K N 1.026 121.283 120.400 -0.239 0.000 2.026 128 K HA -0.144 4.176 4.320 -0.000 0.000 0.208 128 K C 1.463 177.911 176.600 -0.254 0.000 1.048 128 K CA 1.733 57.877 56.287 -0.238 0.000 0.929 128 K CB -0.065 32.274 32.500 -0.269 0.000 0.713 128 K HN 0.438 nan 8.250 nan 0.000 0.439 129 N N -0.258 118.270 118.700 -0.287 0.000 2.106 129 N HA -0.114 4.626 4.740 -0.000 0.000 0.188 129 N C 1.809 177.135 175.510 -0.308 0.000 1.029 129 N CA 1.299 54.182 53.050 -0.277 0.000 0.848 129 N CB -0.029 38.292 38.487 -0.277 0.000 1.007 129 N HN 0.084 nan 8.380 nan 0.000 0.423 130 S N 1.377 116.809 115.700 -0.446 0.000 2.359 130 S HA -0.076 4.394 4.470 -0.000 0.000 0.224 130 S C 2.032 176.506 174.600 -0.209 0.000 1.035 130 S CA 0.875 58.845 58.200 -0.383 0.000 1.018 130 S CB -0.408 62.468 63.200 -0.540 0.000 0.876 130 S HN 0.240 nan 8.310 nan 0.000 0.448 131 L N 1.246 122.342 121.223 -0.213 0.000 2.129 131 L HA -0.162 4.178 4.340 -0.000 0.000 0.212 131 L C 2.495 179.297 176.870 -0.113 0.000 1.087 131 L CA 1.019 55.788 54.840 -0.119 0.000 0.757 131 L CB -0.692 41.276 42.059 -0.152 0.000 0.896 131 L HN 0.283 nan 8.230 nan 0.000 0.434 132 S N -0.206 115.403 115.700 -0.152 0.000 2.371 132 S HA -0.072 4.398 4.470 -0.000 0.000 0.224 132 S C 1.966 176.467 174.600 -0.166 0.000 1.029 132 S CA 0.831 58.945 58.200 -0.143 0.000 0.978 132 S CB -0.065 63.046 63.200 -0.148 0.000 0.833 132 S HN 0.223 nan 8.310 nan 0.000 0.466 133 I N 2.039 122.494 120.570 -0.191 0.000 2.127 133 I HA -0.181 3.989 4.170 -0.000 0.000 0.241 133 I C 2.233 178.118 176.117 -0.386 0.000 1.075 133 I CA 1.478 62.612 61.300 -0.277 0.000 1.334 133 I CB -1.347 36.540 38.000 -0.189 0.000 1.040 133 I HN 0.273 nan 8.210 nan 0.000 0.405 134 I N 0.455 120.937 120.570 -0.147 0.000 2.163 134 I HA -0.340 3.830 4.170 -0.000 0.000 0.243 134 I C 2.877 179.003 176.117 0.014 0.000 1.085 134 I CA 1.687 62.996 61.300 0.015 0.000 1.347 134 I CB -0.427 37.682 38.000 0.182 0.000 1.044 134 I HN 0.249 nan 8.210 nan 0.000 0.408 135 S N 0.203 115.890 115.700 -0.023 0.000 2.370 135 S HA -0.222 4.248 4.470 -0.000 0.000 0.226 135 S C 2.067 176.656 174.600 -0.019 0.000 1.033 135 S CA 2.365 60.561 58.200 -0.007 0.000 1.011 135 S CB -0.386 62.787 63.200 -0.045 0.000 0.852 135 S HN 0.455 nan 8.310 nan 0.000 0.457 136 T N 1.000 115.494 114.554 -0.101 0.000 2.684 136 T HA -0.125 4.225 4.350 -0.000 0.000 0.267 136 T C 1.426 176.145 174.700 0.032 0.000 1.036 136 T CA 1.957 64.009 62.100 -0.080 0.000 1.148 136 T CB -0.636 68.130 68.868 -0.171 0.000 0.863 136 T HN 0.705 nan 8.240 nan 0.000 0.436 137 H N 0.164 119.258 119.070 0.040 0.000 2.389 137 H HA 0.125 4.681 4.556 -0.000 0.000 0.299 137 H C 2.405 177.764 175.328 0.052 0.000 1.081 137 H CA 0.615 56.691 56.048 0.047 0.000 1.345 137 H CB -0.066 29.729 29.762 0.055 0.000 1.393 137 H HN 0.134 nan 8.280 nan 0.000 0.520 138 L N 0.386 121.720 121.223 0.184 0.000 1.976 138 L HA -0.210 4.130 4.340 -0.000 0.000 0.209 138 L C 1.877 178.805 176.870 0.096 0.000 1.071 138 L CA 1.152 56.075 54.840 0.138 0.000 0.746 138 L CB -0.151 42.001 42.059 0.154 0.000 0.890 138 L HN 0.260 nan 8.230 nan 0.000 0.432 139 L N -0.289 120.981 121.223 0.078 0.000 2.187 139 L HA -0.240 4.100 4.340 -0.000 0.000 0.213 139 L C 2.448 179.348 176.870 0.052 0.000 1.100 139 L CA 1.422 56.294 54.840 0.053 0.000 0.765 139 L CB -0.865 41.215 42.059 0.036 0.000 0.904 139 L HN 0.353 nan 8.230 nan 0.000 0.437 140 Q N -0.237 119.606 119.800 0.072 0.000 2.079 140 Q HA -0.176 4.164 4.340 -0.000 0.000 0.200 140 Q C 2.246 178.276 176.000 0.049 0.000 0.974 140 Q CA 1.559 57.402 55.803 0.066 0.000 0.840 140 Q CB -0.376 28.420 28.738 0.096 0.000 0.898 140 Q HN 0.527 nan 8.270 nan 0.000 0.430 141 L N -0.329 120.926 121.223 0.053 0.000 1.989 141 L HA -0.180 4.160 4.340 -0.000 0.000 0.211 141 L C 2.149 179.026 176.870 0.011 0.000 1.071 141 L CA 1.528 56.384 54.840 0.027 0.000 0.749 141 L CB -0.315 41.762 42.059 0.030 0.000 0.890 141 L HN 0.363 nan 8.230 nan 0.000 0.431 142 I N 0.117 120.698 120.570 0.018 0.000 2.151 142 I HA -0.384 3.786 4.170 -0.000 0.000 0.243 142 I C 2.639 178.757 176.117 0.001 0.000 1.080 142 I CA 1.831 63.133 61.300 0.004 0.000 1.339 142 I CB -0.457 37.551 38.000 0.014 0.000 1.039 142 I HN 0.339 nan 8.210 nan 0.000 0.409 143 K N 0.579 120.987 120.400 0.012 0.000 2.148 143 K HA -0.146 4.174 4.320 -0.000 0.000 0.204 143 K C 2.030 178.637 176.600 0.012 0.000 1.050 143 K CA 1.658 57.953 56.287 0.012 0.000 0.942 143 K CB -0.009 32.503 32.500 0.020 0.000 0.724 143 K HN 0.240 nan 8.250 nan 0.000 0.446 144 T N 1.669 116.230 114.554 0.012 0.000 2.746 144 T HA -0.112 4.238 4.350 -0.000 0.000 0.267 144 T C 1.747 176.450 174.700 0.005 0.000 1.039 144 T CA 1.271 63.378 62.100 0.012 0.000 1.142 144 T CB -0.103 68.770 68.868 0.008 0.000 0.866 144 T HN 0.148 nan 8.240 nan 0.000 0.444 145 L N 0.580 121.795 121.223 -0.012 0.000 2.027 145 L HA -0.080 4.260 4.340 -0.000 0.000 0.206 145 L C 2.692 179.546 176.870 -0.028 0.000 1.074 145 L CA 0.898 55.718 54.840 -0.033 0.000 0.745 145 L CB -0.690 41.331 42.059 -0.064 0.000 0.898 145 L HN 0.131 nan 8.230 nan 0.000 0.433 146 V N -0.416 119.486 119.914 -0.021 0.000 2.255 146 V HA -0.261 3.859 4.120 -0.000 0.000 0.247 146 V C 2.552 178.648 176.094 0.004 0.000 1.051 146 V CA 1.718 64.009 62.300 -0.014 0.000 1.018 146 V CB -0.540 31.277 31.823 -0.009 0.000 0.641 146 V HN 0.433 nan 8.190 nan 0.000 0.445 147 E N 0.037 120.245 120.200 0.013 0.000 2.118 147 E HA -0.255 4.095 4.350 -0.000 0.000 0.195 147 E C 2.324 178.947 176.600 0.039 0.000 0.992 147 E CA 1.450 57.865 56.400 0.025 0.000 0.804 147 E CB -0.316 29.399 29.700 0.026 0.000 0.741 147 E HN 0.558 nan 8.360 nan 0.000 0.458 148 R N 0.541 121.068 120.500 0.045 0.000 2.115 148 R HA -0.011 4.329 4.340 -0.000 0.000 0.226 148 R C 2.181 178.540 176.300 0.099 0.000 1.100 148 R CA 1.129 57.278 56.100 0.082 0.000 0.980 148 R CB -0.092 30.269 30.300 0.103 0.000 0.875 148 R HN 0.112 nan 8.270 nan 0.000 0.445 149 A N 0.587 123.437 122.820 0.050 0.000 1.969 149 A HA -0.025 4.295 4.320 -0.000 0.000 0.218 149 A C 2.297 179.918 177.584 0.062 0.000 1.169 149 A CA 1.403 53.466 52.037 0.042 0.000 0.635 149 A CB -0.624 18.362 19.000 -0.023 0.000 0.810 149 A HN 0.505 nan 8.150 nan 0.000 0.445 150 A N -0.144 122.705 122.820 0.047 0.000 1.930 150 A HA -0.063 4.257 4.320 -0.000 0.000 0.217 150 A C 2.149 179.767 177.584 0.057 0.000 1.175 150 A CA 1.447 53.511 52.037 0.045 0.000 0.627 150 A CB -0.485 18.534 19.000 0.033 0.000 0.815 150 A HN 0.669 nan 8.150 nan 0.000 0.443 151 I N -1.057 119.553 120.570 0.067 0.000 2.500 151 I HA -0.077 4.093 4.170 -0.000 0.000 0.252 151 I C 1.159 177.326 176.117 0.084 0.000 1.142 151 I CA 1.278 62.618 61.300 0.067 0.000 1.451 151 I CB -0.060 37.978 38.000 0.064 0.000 1.093 151 I HN 0.345 nan 8.210 nan 0.000 0.430 152 E N 0.807 121.083 120.200 0.127 0.000 2.437 152 E HA 0.092 4.442 4.350 -0.000 0.000 0.195 152 E C 1.638 178.338 176.600 0.168 0.000 1.029 152 E CA -0.205 56.290 56.400 0.158 0.000 0.948 152 E CB 0.298 30.156 29.700 0.264 0.000 1.082 152 E HN 0.516 nan 8.360 nan 0.000 0.456 153 I N 1.113 121.754 120.570 0.119 0.000 2.761 153 I HA -0.275 3.895 4.170 -0.000 0.000 0.266 153 I C 0.803 176.975 176.117 0.091 0.000 1.239 153 I CA 1.317 62.676 61.300 0.099 0.000 1.451 153 I CB 0.265 38.306 38.000 0.067 0.000 1.096 153 I HN 0.093 nan 8.210 nan 0.000 0.465 154 D N -0.010 120.438 120.400 0.080 0.000 2.366 154 D HA 0.103 4.743 4.640 -0.000 0.000 0.205 154 D C 0.689 177.021 176.300 0.053 0.000 1.022 154 D CA 0.241 54.278 54.000 0.060 0.000 0.868 154 D CB 0.433 41.258 40.800 0.042 0.000 0.953 154 D HN 0.122 nan 8.370 nan 0.000 0.514 155 V N 2.251 122.203 119.914 0.064 0.000 2.655 155 V HA 0.078 4.198 4.120 -0.000 0.000 0.300 155 V C 0.591 176.710 176.094 0.042 0.000 1.044 155 V CA 0.256 62.566 62.300 0.017 0.000 1.095 155 V CB 1.088 32.893 31.823 -0.030 0.000 0.952 155 V HN -0.035 nan 8.190 nan 0.000 0.485 156 I N 5.962 126.511 120.570 -0.035 0.000 2.509 156 I HA 0.649 4.819 4.170 -0.000 0.000 0.293 156 I C -0.318 175.700 176.117 -0.165 0.000 1.020 156 I CA -0.488 60.786 61.300 -0.044 0.000 1.088 156 I CB 1.727 39.716 38.000 -0.019 0.000 1.267 156 I HN 0.585 nan 8.210 nan 0.000 0.430 157 L N 4.215 125.342 121.223 -0.161 0.000 2.510 157 L HA 0.818 5.158 4.340 -0.000 0.000 0.252 157 L C -3.035 173.711 176.870 -0.207 0.000 1.091 157 L CA -2.273 52.383 54.840 -0.306 0.000 0.888 157 L CB 1.916 43.690 42.059 -0.475 0.000 1.507 157 L HN 0.146 nan 8.230 nan 0.000 0.407 158 P HA 0.302 nan 4.420 nan 0.000 0.279 158 P C -0.550 176.621 177.300 -0.214 0.000 1.239 158 P CA 0.017 62.980 63.100 -0.228 0.000 0.789 158 P CB 1.188 32.715 31.700 -0.289 0.000 0.933 159 G N 1.804 110.474 108.800 -0.216 0.000 2.400 159 G HA2 0.493 4.453 3.960 -0.000 0.000 0.301 159 G HA3 0.493 4.453 3.960 -0.000 0.000 0.301 159 G C -1.516 173.248 174.900 -0.227 0.000 1.154 159 G CA -0.192 44.866 45.100 -0.070 0.000 0.852 159 G HN 0.329 nan 8.290 nan 0.000 0.511 160 Y N -0.374 120.017 120.300 0.152 0.000 2.468 160 Y HA 0.594 5.144 4.550 -0.000 0.000 0.342 160 Y C 0.565 176.534 175.900 0.115 0.000 1.021 160 Y CA -0.546 57.645 58.100 0.153 0.000 1.079 160 Y CB 2.917 41.508 38.460 0.220 0.000 1.226 160 Y HN 0.416 nan 8.280 nan 0.000 0.460 161 T N 3.700 118.399 114.554 0.242 0.000 2.949 161 T HA 0.220 4.570 4.350 -0.000 0.000 0.300 161 T C -0.546 174.253 174.700 0.164 0.000 0.988 161 T CA -1.031 61.164 62.100 0.159 0.000 0.993 161 T CB 0.367 69.293 68.868 0.096 0.000 0.984 161 T HN 0.709 nan 8.240 nan 0.000 0.442 162 N N 2.829 121.611 118.700 0.137 0.000 2.716 162 N HA -0.170 4.570 4.740 -0.000 0.000 0.250 162 N C 0.395 175.995 175.510 0.150 0.000 1.033 162 N CA 0.456 53.574 53.050 0.113 0.000 0.727 162 N CB -1.097 37.441 38.487 0.085 0.000 0.950 162 N HN 0.895 nan 8.380 nan 0.000 0.541 163 L N -2.897 118.453 121.223 0.212 0.000 3.839 163 L HA -0.308 4.032 4.340 -0.000 0.000 0.416 163 L C -0.086 177.021 176.870 0.396 0.000 1.195 163 L CA 1.369 56.370 54.840 0.269 0.000 0.946 163 L CB -0.726 41.408 42.059 0.125 0.000 1.891 163 L HN 0.342 nan 8.230 nan 0.000 0.963 164 Q N 0.143 120.187 119.800 0.407 0.000 2.365 164 Q HA 0.413 4.753 4.340 -0.000 0.000 0.269 164 Q C -0.101 176.006 176.000 0.179 0.000 1.061 164 Q CA -0.715 55.260 55.803 0.286 0.000 0.816 164 Q CB 2.047 30.872 28.738 0.145 0.000 1.325 164 Q HN 0.129 nan 8.270 nan 0.000 0.446 165 K N 0.965 121.376 120.400 0.019 0.000 2.453 165 K HA 0.154 4.474 4.320 -0.000 0.000 0.280 165 K C 0.412 176.934 176.600 -0.130 0.000 1.045 165 K CA 0.278 56.399 56.287 -0.276 0.000 1.059 165 K CB 0.546 32.944 32.500 -0.171 0.000 0.901 165 K HN 0.673 nan 8.250 nan 0.000 0.475 166 A N 3.862 126.587 122.820 -0.158 0.000 1.969 166 A HA 0.012 4.332 4.320 -0.000 0.000 0.205 166 A C 0.102 177.670 177.584 -0.026 0.000 1.364 166 A CA 0.554 52.563 52.037 -0.047 0.000 0.756 166 A CB 0.304 19.294 19.000 -0.016 0.000 0.988 166 A HN 0.805 nan 8.150 nan 0.000 0.490 167 Q N -1.516 118.248 119.800 -0.059 0.000 2.647 167 Q HA 0.449 4.789 4.340 -0.000 0.000 0.283 167 Q C -3.263 172.717 176.000 -0.034 0.000 0.943 167 Q CA -2.056 53.743 55.803 -0.005 0.000 0.813 167 Q CB 1.122 29.881 28.738 0.034 0.000 1.477 167 Q HN -0.023 nan 8.270 nan 0.000 0.393 168 P HA 0.181 nan 4.420 nan 0.000 0.268 168 P C -0.814 176.481 177.300 -0.008 0.000 1.204 168 P CA 0.237 63.351 63.100 0.024 0.000 0.768 168 P CB 0.311 32.117 31.700 0.176 0.000 0.842 169 I N -0.958 119.599 120.570 -0.022 0.000 3.074 169 I HA 0.613 4.783 4.170 -0.000 0.000 0.310 169 I C -0.664 175.472 176.117 0.032 0.000 1.153 169 I CA -1.730 59.562 61.300 -0.014 0.000 0.993 169 I CB 2.497 40.490 38.000 -0.011 0.000 1.237 169 I HN 0.029 nan 8.210 nan 0.000 0.443 170 R N 2.046 122.580 120.500 0.057 0.000 2.357 170 R HA 0.137 4.477 4.340 -0.000 0.000 0.296 170 R C 0.602 177.008 176.300 0.176 0.000 1.052 170 R CA -0.480 55.682 56.100 0.104 0.000 0.988 170 R CB 1.225 31.580 30.300 0.092 0.000 1.025 170 R HN 0.875 nan 8.270 nan 0.000 0.469 171 W N 3.171 124.476 121.300 0.008 0.000 2.325 171 W HA -0.249 4.411 4.660 -0.000 0.000 0.299 171 W C 0.556 177.180 176.519 0.174 0.000 1.215 171 W CA 1.756 59.139 57.345 0.063 0.000 1.244 171 W CB 0.084 29.546 29.460 0.003 0.000 1.140 171 W HN 0.499 nan 8.180 nan 0.000 0.523 172 S N 0.469 116.230 115.700 0.102 0.000 2.423 172 S HA -0.256 4.213 4.470 -0.000 0.000 0.231 172 S C 1.518 176.080 174.600 -0.063 0.000 1.014 172 S CA 1.682 59.859 58.200 -0.038 0.000 0.965 172 S CB -0.390 62.835 63.200 0.043 0.000 0.785 172 S HN 0.311 nan 8.310 nan 0.000 0.495 173 Q N 0.838 120.638 119.800 -0.000 0.000 2.119 173 Q HA -0.057 4.283 4.340 -0.000 0.000 0.201 173 Q C 1.670 177.638 176.000 -0.052 0.000 0.972 173 Q CA 1.337 57.127 55.803 -0.022 0.000 0.847 173 Q CB -0.500 28.239 28.738 0.003 0.000 0.903 173 Q HN 0.534 nan 8.270 nan 0.000 0.433 174 F N 0.027 119.866 119.950 -0.184 0.000 2.051 174 F HA -0.148 4.379 4.527 0.000 0.000 0.296 174 F C 1.554 177.171 175.800 -0.306 0.000 1.122 174 F CA 1.584 59.447 58.000 -0.229 0.000 1.201 174 F CB -0.492 38.384 39.000 -0.207 0.000 0.978 174 F HN 0.113 nan 8.300 nan 0.000 0.472 175 L N 0.137 121.041 121.223 -0.531 0.000 2.013 175 L HA -0.273 4.067 4.340 -0.000 0.000 0.212 175 L C 2.556 179.220 176.870 -0.343 0.000 1.073 175 L CA 1.467 55.997 54.840 -0.517 0.000 0.753 175 L CB -0.967 40.846 42.059 -0.410 0.000 0.890 175 L HN 0.262 nan 8.230 nan 0.000 0.432 176 L N -0.354 120.715 121.223 -0.256 0.000 2.191 176 L HA -0.173 4.167 4.340 -0.000 0.000 0.212 176 L C 2.862 179.598 176.870 -0.222 0.000 1.103 176 L CA 1.287 56.016 54.840 -0.184 0.000 0.769 176 L CB -0.611 41.376 42.059 -0.121 0.000 0.908 176 L HN 0.426 nan 8.230 nan 0.000 0.438 177 S N -1.576 113.928 115.700 -0.326 0.000 2.383 177 S HA -0.200 4.270 4.470 -0.000 0.000 0.227 177 S C 1.926 176.276 174.600 -0.417 0.000 1.026 177 S CA 0.804 58.786 58.200 -0.364 0.000 0.981 177 S CB -0.505 62.435 63.200 -0.433 0.000 0.818 177 S HN 0.444 nan 8.310 nan 0.000 0.472 178 H N 2.018 120.881 119.070 -0.345 0.000 2.326 178 H HA 0.219 4.775 4.556 -0.000 0.000 0.301 178 H C 2.756 177.933 175.328 -0.251 0.000 1.081 178 H CA 1.372 57.223 56.048 -0.329 0.000 1.334 178 H CB -1.021 28.510 29.762 -0.385 0.000 1.385 178 H HN 0.577 nan 8.280 nan 0.000 0.504 179 A N 0.882 123.645 122.820 -0.096 0.000 1.908 179 A HA -0.141 4.179 4.320 -0.000 0.000 0.218 179 A C 2.857 180.390 177.584 -0.085 0.000 1.181 179 A CA 1.809 53.798 52.037 -0.080 0.000 0.627 179 A CB -0.927 18.026 19.000 -0.078 0.000 0.818 179 A HN 0.207 nan 8.150 nan 0.000 0.445 180 V N -0.189 119.655 119.914 -0.117 0.000 2.261 180 V HA -0.267 3.853 4.120 -0.000 0.000 0.246 180 V C 3.085 179.108 176.094 -0.118 0.000 1.047 180 V CA 2.040 64.278 62.300 -0.102 0.000 1.015 180 V CB -1.369 30.387 31.823 -0.111 0.000 0.642 180 V HN 0.631 nan 8.190 nan 0.000 0.446 181 A N -0.281 122.412 122.820 -0.212 0.000 1.917 181 A HA -0.213 4.107 4.320 -0.000 0.000 0.219 181 A C 2.203 179.662 177.584 -0.208 0.000 1.182 181 A CA 2.048 53.870 52.037 -0.358 0.000 0.633 181 A CB -0.647 17.875 19.000 -0.795 0.000 0.819 181 A HN 0.533 nan 8.150 nan 0.000 0.448 182 L N -0.099 121.054 121.223 -0.118 0.000 2.201 182 L HA -0.135 4.205 4.340 -0.000 0.000 0.212 182 L C 2.889 179.798 176.870 0.065 0.000 1.105 182 L CA 1.607 56.465 54.840 0.031 0.000 0.775 182 L CB -0.723 41.346 42.059 0.018 0.000 0.913 182 L HN 0.686 nan 8.230 nan 0.000 0.440 183 T N -3.269 111.299 114.554 0.024 0.000 2.951 183 T HA -0.127 4.223 4.350 -0.000 0.000 0.268 183 T C 1.952 176.690 174.700 0.063 0.000 1.073 183 T CA 0.507 62.630 62.100 0.038 0.000 1.134 183 T CB -0.164 68.711 68.868 0.011 0.000 0.884 183 T HN 0.274 nan 8.240 nan 0.000 0.479 184 R N 1.020 121.563 120.500 0.072 0.000 2.148 184 R HA 0.014 4.353 4.340 -0.000 0.000 0.223 184 R C 1.900 178.300 176.300 0.166 0.000 1.088 184 R CA 1.277 57.437 56.100 0.101 0.000 0.985 184 R CB -0.186 30.174 30.300 0.100 0.000 0.880 184 R HN 0.488 nan 8.270 nan 0.000 0.451 185 D N -0.093 120.440 120.400 0.222 0.000 2.149 185 D HA -0.108 4.532 4.640 -0.000 0.000 0.201 185 D C 1.772 178.295 176.300 0.372 0.000 0.972 185 D CA 1.077 55.281 54.000 0.341 0.000 0.835 185 D CB -0.085 40.897 40.800 0.303 0.000 0.966 185 D HN 0.030 nan 8.370 nan 0.000 0.476 186 S N 0.350 116.176 115.700 0.211 0.000 2.368 186 S HA -0.180 4.290 4.470 -0.000 0.000 0.224 186 S C 1.838 176.464 174.600 0.044 0.000 1.029 186 S CA 1.199 59.468 58.200 0.114 0.000 0.988 186 S CB 0.029 63.276 63.200 0.079 0.000 0.838 186 S HN 0.221 nan 8.310 nan 0.000 0.462 187 E N 0.395 120.631 120.200 0.060 0.000 2.051 187 E HA -0.151 4.199 4.350 -0.000 0.000 0.192 187 E C 2.417 179.028 176.600 0.019 0.000 0.991 187 E CA 0.949 57.368 56.400 0.032 0.000 0.799 187 E CB -0.072 29.654 29.700 0.044 0.000 0.748 187 E HN 0.446 nan 8.360 nan 0.000 0.449 188 R N 0.340 120.878 120.500 0.064 0.000 2.081 188 R HA -0.133 4.207 4.340 -0.000 0.000 0.235 188 R C 2.691 178.913 176.300 -0.130 0.000 1.131 188 R CA 1.300 57.434 56.100 0.056 0.000 0.960 188 R CB -0.482 29.952 30.300 0.223 0.000 0.856 188 R HN 0.307 nan 8.270 nan 0.000 0.436 189 L N 0.243 121.262 121.223 -0.341 0.000 2.012 189 L HA -0.128 4.212 4.340 -0.000 0.000 0.210 189 L C 2.232 178.924 176.870 -0.298 0.000 1.073 189 L CA 1.946 56.370 54.840 -0.693 0.000 0.748 189 L CB -0.738 40.910 42.059 -0.686 0.000 0.891 189 L HN 0.278 nan 8.230 nan 0.000 0.431 190 G N -0.726 107.978 108.800 -0.160 0.000 2.440 190 G HA2 -0.277 3.683 3.960 -0.000 0.000 0.218 190 G HA3 -0.277 3.683 3.960 -0.000 0.000 0.218 190 G C 1.309 176.165 174.900 -0.072 0.000 1.154 190 G CA 0.910 45.953 45.100 -0.096 0.000 0.767 190 G HN 0.568 nan 8.290 nan 0.000 0.552 191 E N -0.091 120.076 120.200 -0.055 0.000 2.153 191 E HA -0.060 4.290 4.350 -0.000 0.000 0.194 191 E C 2.645 179.234 176.600 -0.017 0.000 0.988 191 E CA 0.790 57.177 56.400 -0.022 0.000 0.811 191 E CB -0.053 29.648 29.700 0.001 0.000 0.746 191 E HN 0.354 nan 8.360 nan 0.000 0.466 192 V N 1.429 121.316 119.914 -0.046 0.000 2.407 192 V HA -0.201 3.919 4.120 -0.000 0.000 0.245 192 V C 2.326 178.411 176.094 -0.015 0.000 1.041 192 V CA 1.532 63.827 62.300 -0.008 0.000 1.040 192 V CB -0.321 31.491 31.823 -0.017 0.000 0.671 192 V HN 0.152 nan 8.190 nan 0.000 0.455 193 K N 0.016 120.375 120.400 -0.070 0.000 2.147 193 K HA -0.205 4.115 4.320 -0.000 0.000 0.205 193 K C 2.255 178.824 176.600 -0.051 0.000 1.049 193 K CA 1.109 57.351 56.287 -0.076 0.000 0.936 193 K CB 0.010 32.447 32.500 -0.106 0.000 0.722 193 K HN 0.239 nan 8.250 nan 0.000 0.446 194 K N 0.670 121.049 120.400 -0.035 0.000 2.009 194 K HA -0.154 4.166 4.320 -0.000 0.000 0.210 194 K C 2.120 178.723 176.600 0.005 0.000 1.049 194 K CA 1.513 57.790 56.287 -0.017 0.000 0.929 194 K CB -0.317 32.177 32.500 -0.010 0.000 0.714 194 K HN 0.240 nan 8.250 nan 0.000 0.440 195 R N 0.263 120.775 120.500 0.021 0.000 2.189 195 R HA 0.122 4.462 4.340 -0.000 0.000 0.218 195 R C 2.358 178.678 176.300 0.033 0.000 1.074 195 R CA 0.441 56.565 56.100 0.040 0.000 0.991 195 R CB -0.107 30.232 30.300 0.065 0.000 0.883 195 R HN 0.177 nan 8.270 nan 0.000 0.457 196 I N 0.454 121.034 120.570 0.016 0.000 2.617 196 I HA -0.181 3.989 4.170 -0.000 0.000 0.256 196 I C 1.241 177.351 176.117 -0.011 0.000 1.167 196 I CA 0.737 62.015 61.300 -0.037 0.000 1.469 196 I CB -0.147 37.830 38.000 -0.037 0.000 1.098 196 I HN 0.170 nan 8.210 nan 0.000 0.436 197 N N 1.529 120.231 118.700 0.004 0.000 2.906 197 N HA 0.080 4.820 4.740 -0.000 0.000 0.282 197 N C -1.027 174.627 175.510 0.240 0.000 1.293 197 N CA -0.105 52.965 53.050 0.034 0.000 1.059 197 N CB 0.165 38.626 38.487 -0.044 0.000 1.388 197 N HN -0.043 nan 8.380 nan 0.000 0.533 198 V N 2.215 122.324 119.914 0.325 0.000 2.577 198 V HA 0.204 4.324 4.120 -0.000 0.000 0.303 198 V C -0.124 175.899 176.094 -0.118 0.000 1.042 198 V CA -0.965 61.431 62.300 0.161 0.000 0.872 198 V CB 1.767 33.604 31.823 0.023 0.000 0.998 198 V HN 0.165 nan 8.190 nan 0.000 0.423 199 L N 9.338 130.234 121.223 -0.545 0.000 2.530 199 L HA 0.348 4.688 4.340 -0.000 0.000 0.273 199 L C -1.258 175.305 176.870 -0.511 0.000 1.141 199 L CA -0.352 53.837 54.840 -1.083 0.000 0.905 199 L CB 0.761 42.295 42.059 -0.874 0.000 1.202 199 L HN 0.441 nan 8.230 nan 0.000 0.473 200 P HA -0.034 nan 4.420 nan 0.000 0.238 200 P C 0.393 177.574 177.300 -0.199 0.000 1.183 200 P CA -0.182 62.776 63.100 -0.237 0.000 0.813 200 P CB 0.272 31.858 31.700 -0.191 0.000 0.944 201 L N 1.295 122.369 121.223 -0.248 0.000 2.540 201 L HA 0.302 4.642 4.340 -0.000 0.000 0.276 201 L C 1.281 178.085 176.870 -0.111 0.000 1.212 201 L CA 1.977 56.713 54.840 -0.174 0.000 0.893 201 L CB -0.836 41.122 42.059 -0.168 0.000 1.138 201 L HN 0.413 nan 8.230 nan 0.000 0.491 202 G N 2.157 110.913 108.800 -0.073 0.000 2.192 202 G HA2 -0.245 3.715 3.960 -0.000 0.000 0.193 202 G HA3 -0.245 3.715 3.960 -0.000 0.000 0.193 202 G C 0.856 175.743 174.900 -0.023 0.000 0.999 202 G CA 0.269 45.367 45.100 -0.003 0.000 0.659 202 G HN 0.671 nan 8.290 nan 0.000 0.503 203 S N 0.276 115.944 115.700 -0.053 0.000 2.501 203 S HA 0.430 4.900 4.470 -0.000 0.000 0.220 203 S C 2.048 176.623 174.600 -0.041 0.000 0.997 203 S CA 1.388 59.562 58.200 -0.042 0.000 0.919 203 S CB 0.057 63.229 63.200 -0.047 0.000 0.778 203 S HN 2.206 nan 8.310 nan 0.000 0.523 204 G N 1.683 110.446 108.800 -0.061 0.000 2.547 204 G HA2 -0.244 3.716 3.960 -0.000 0.000 0.271 204 G HA3 -0.244 3.716 3.960 -0.000 0.000 0.271 204 G C 0.916 175.767 174.900 -0.082 0.000 1.209 204 G CA 0.150 45.210 45.100 -0.067 0.000 0.959 204 G HN 0.715 nan 8.290 nan 0.000 0.563 205 A N -0.904 121.874 122.820 -0.069 0.000 1.970 205 A HA 0.545 4.865 4.320 -0.000 0.000 0.216 205 A C 2.143 179.699 177.584 -0.048 0.000 1.170 205 A CA 3.081 55.069 52.037 -0.082 0.000 0.645 205 A CB -0.319 18.642 19.000 -0.064 0.000 0.816 205 A HN 2.171 nan 8.150 nan 0.000 0.447 206 L N -7.189 114.022 121.223 -0.021 0.000 4.496 206 L HA 0.384 4.724 4.340 -0.000 0.000 0.483 206 L C 1.374 178.247 176.870 0.004 0.000 0.838 206 L CA 0.597 55.439 54.840 0.003 0.000 2.078 206 L CB -0.446 41.627 42.059 0.023 0.000 2.403 206 L HN 0.031 nan 8.230 nan 0.000 0.565 207 A N 0.878 123.697 122.820 -0.001 0.000 2.303 207 A HA 0.772 5.092 4.320 -0.000 0.000 0.217 207 A C 1.158 178.741 177.584 -0.002 0.000 1.205 207 A CA 0.782 52.820 52.037 0.001 0.000 0.875 207 A CB -0.018 18.983 19.000 0.002 0.000 0.910 207 A HN 1.268 nan 8.150 nan 0.000 0.501 208 G N -0.350 108.446 108.800 -0.006 0.000 2.384 208 G HA2 -0.030 3.930 3.960 -0.000 0.000 0.668 208 G HA3 -0.030 3.930 3.960 -0.000 0.000 0.668 208 G C -0.964 173.937 174.900 0.000 0.000 1.280 208 G CA -0.301 44.796 45.100 -0.005 0.000 0.992 208 G HN 0.470 nan 8.290 nan 0.000 0.512 209 N N 1.374 120.081 118.700 0.011 0.000 2.419 209 N HA 0.411 5.151 4.740 -0.000 0.000 0.264 209 N C -0.510 175.016 175.510 0.027 0.000 1.031 209 N CA -1.235 51.835 53.050 0.033 0.000 0.951 209 N CB 1.921 40.446 38.487 0.063 0.000 1.101 209 N HN 0.352 nan 8.380 nan 0.000 0.488 210 P HA -0.008 nan 4.420 nan 0.000 0.225 210 P C 0.866 178.176 177.300 0.016 0.000 1.156 210 P CA 0.708 63.819 63.100 0.019 0.000 0.787 210 P CB 0.524 32.235 31.700 0.018 0.000 0.802 211 L N -0.065 121.171 121.223 0.022 0.000 2.653 211 L HA 0.160 4.500 4.340 -0.000 0.000 0.232 211 L C 0.458 177.325 176.870 -0.005 0.000 1.169 211 L CA -0.064 54.779 54.840 0.006 0.000 0.951 211 L CB -1.048 41.011 42.059 0.000 0.000 1.181 211 L HN -0.024 nan 8.230 nan 0.000 0.460 212 D N 1.367 121.768 120.400 0.001 0.000 2.697 212 D HA -0.246 4.394 4.640 -0.000 0.000 0.238 212 D C 0.047 176.340 176.300 -0.013 0.000 1.152 212 D CA 0.352 54.349 54.000 -0.005 0.000 0.666 212 D CB -0.695 40.100 40.800 -0.009 0.000 1.037 212 D HN 0.158 nan 8.370 nan 0.000 0.423 213 I N 0.971 121.537 120.570 -0.006 0.000 2.892 213 I HA 0.082 4.252 4.170 -0.000 0.000 0.287 213 I C 0.636 176.742 176.117 -0.018 0.000 1.205 213 I CA 0.061 61.346 61.300 -0.025 0.000 1.409 213 I CB 0.700 38.710 38.000 0.017 0.000 1.367 213 I HN 0.134 nan 8.210 nan 0.000 0.597 214 D N 5.436 125.817 120.400 -0.033 0.000 2.468 214 D HA 0.195 4.835 4.640 -0.000 0.000 0.218 214 D C 0.936 177.229 176.300 -0.012 0.000 1.155 214 D CA -0.040 53.947 54.000 -0.022 0.000 0.924 214 D CB 0.382 41.165 40.800 -0.027 0.000 1.029 214 D HN 0.423 nan 8.370 nan 0.000 0.515 215 R N 2.253 122.747 120.500 -0.009 0.000 2.152 215 R HA -0.139 4.201 4.340 -0.000 0.000 0.232 215 R C 1.424 177.713 176.300 -0.020 0.000 1.117 215 R CA 0.825 56.915 56.100 -0.016 0.000 0.981 215 R CB 0.056 30.338 30.300 -0.029 0.000 0.870 215 R HN 0.397 nan 8.270 nan 0.000 0.451 216 E N 1.443 121.635 120.200 -0.013 0.000 2.110 216 E HA -0.182 4.168 4.350 -0.000 0.000 0.193 216 E C 1.884 178.485 176.600 0.003 0.000 0.988 216 E CA 1.279 57.676 56.400 -0.006 0.000 0.804 216 E CB -0.107 29.590 29.700 -0.005 0.000 0.745 216 E HN 0.231 nan 8.360 nan 0.000 0.458 217 M N -0.363 119.237 119.600 -0.000 0.000 2.117 217 M HA -0.132 4.348 4.480 -0.000 0.000 0.262 217 M C 1.878 178.190 176.300 0.020 0.000 1.065 217 M CA 1.398 56.701 55.300 0.004 0.000 1.114 217 M CB -0.083 32.512 32.600 -0.009 0.000 1.361 217 M HN 0.207 nan 8.290 nan 0.000 0.408 218 L N -0.484 120.751 121.223 0.019 0.000 2.042 218 L HA -0.253 4.087 4.340 -0.000 0.000 0.210 218 L C 2.757 179.660 176.870 0.055 0.000 1.076 218 L CA 1.607 56.469 54.840 0.037 0.000 0.749 218 L CB -0.966 41.106 42.059 0.022 0.000 0.893 218 L HN 0.399 nan 8.230 nan 0.000 0.432 219 R N -0.186 120.334 120.500 0.032 0.000 2.083 219 R HA -0.200 4.140 4.340 -0.000 0.000 0.237 219 R C 2.608 178.987 176.300 0.130 0.000 1.137 219 R CA 1.932 58.089 56.100 0.094 0.000 0.951 219 R CB -0.287 30.042 30.300 0.048 0.000 0.851 219 R HN 0.246 nan 8.270 nan 0.000 0.434 220 S N 0.213 115.955 115.700 0.070 0.000 2.348 220 S HA -0.148 4.322 4.470 -0.000 0.000 0.221 220 S C 1.690 176.322 174.600 0.054 0.000 1.033 220 S CA 1.340 59.571 58.200 0.051 0.000 1.010 220 S CB -0.158 63.059 63.200 0.028 0.000 0.891 220 S HN 0.363 nan 8.310 nan 0.000 0.442 221 E N 1.184 121.418 120.200 0.057 0.000 2.023 221 E HA -0.124 4.226 4.350 -0.000 0.000 0.196 221 E C 2.193 178.835 176.600 0.069 0.000 1.003 221 E CA 1.320 57.752 56.400 0.053 0.000 0.809 221 E CB -0.701 29.031 29.700 0.054 0.000 0.755 221 E HN 0.542 nan 8.360 nan 0.000 0.449 222 L N 0.295 121.598 121.223 0.133 0.000 2.291 222 L HA -0.049 4.291 4.340 -0.000 0.000 0.214 222 L C 0.181 177.094 176.870 0.073 0.000 1.120 222 L CA 0.492 55.437 54.840 0.175 0.000 0.799 222 L CB -0.448 41.871 42.059 0.433 0.000 0.925 222 L HN 0.176 nan 8.230 nan 0.000 0.446 223 E N -0.645 119.619 120.200 0.107 0.000 2.267 223 E HA -0.186 4.164 4.350 -0.000 0.000 0.229 223 E C -0.602 175.953 176.600 -0.075 0.000 1.193 223 E CA 0.001 56.405 56.400 0.006 0.000 0.695 223 E CB -1.662 27.996 29.700 -0.070 0.000 1.219 223 E HN 0.192 nan 8.360 nan 0.000 0.391 224 F N -0.375 119.553 119.950 -0.038 0.000 2.410 224 F HA 0.573 5.100 4.527 -0.000 0.000 0.324 224 F C 1.597 177.374 175.800 -0.037 0.000 1.093 224 F CA 0.094 58.067 58.000 -0.045 0.000 1.028 224 F CB 0.633 39.604 39.000 -0.049 0.000 1.309 224 F HN 0.108 nan 8.300 nan 0.000 0.499 225 A N 0.019 122.932 122.820 0.155 0.000 1.887 225 A HA 0.222 4.542 4.320 -0.000 0.000 0.212 225 A C 0.703 178.330 177.584 0.071 0.000 1.198 225 A CA 1.269 53.350 52.037 0.074 0.000 0.628 225 A CB -0.518 18.505 19.000 0.039 0.000 0.847 225 A HN 0.643 nan 8.150 nan 0.000 0.449 226 S N -1.563 114.184 115.700 0.080 0.000 2.840 226 S HA 0.732 5.202 4.470 -0.000 0.000 0.307 226 S C -0.581 174.021 174.600 0.004 0.000 1.180 226 S CA -0.229 57.992 58.200 0.035 0.000 0.846 226 S CB 0.721 63.933 63.200 0.020 0.000 1.233 226 S HN 0.888 nan 8.310 nan 0.000 0.548 227 I N -0.554 119.998 120.570 -0.029 0.000 2.646 227 I HA 0.685 4.855 4.170 -0.000 0.000 0.299 227 I C -0.138 175.940 176.117 -0.065 0.000 1.036 227 I CA -0.987 60.265 61.300 -0.080 0.000 1.074 227 I CB 2.184 40.137 38.000 -0.078 0.000 1.258 227 I HN 0.783 nan 8.210 nan 0.000 0.430 228 S N 4.620 120.265 115.700 -0.091 0.000 2.558 228 S HA 0.142 4.612 4.470 -0.000 0.000 0.291 228 S C 0.806 175.383 174.600 -0.037 0.000 1.306 228 S CA -0.464 57.700 58.200 -0.060 0.000 1.056 228 S CB 0.684 63.839 63.200 -0.074 0.000 0.836 228 S HN 0.696 nan 8.310 nan 0.000 0.504 229 L N 0.918 122.129 121.223 -0.019 0.000 2.341 229 L HA 0.209 4.549 4.340 -0.000 0.000 0.214 229 L C 1.172 178.037 176.870 -0.008 0.000 1.115 229 L CA 0.414 55.247 54.840 -0.011 0.000 0.820 229 L CB -0.406 41.651 42.059 -0.003 0.000 0.944 229 L HN 0.751 nan 8.230 nan 0.000 0.452 230 N N -0.569 118.127 118.700 -0.006 0.000 2.519 230 N HA 0.030 4.770 4.740 -0.000 0.000 0.291 230 N C 0.679 176.188 175.510 -0.002 0.000 1.107 230 N CA 0.461 53.510 53.050 -0.002 0.000 0.904 230 N CB 1.692 40.182 38.487 0.005 0.000 1.500 230 N HN -0.024 nan 8.380 nan 0.000 0.510 231 S N 4.261 119.958 115.700 -0.005 0.000 2.368 231 S HA -0.273 4.197 4.470 -0.000 0.000 0.226 231 S C 1.942 176.546 174.600 0.007 0.000 1.044 231 S CA 1.280 59.476 58.200 -0.006 0.000 1.062 231 S CB -0.402 62.794 63.200 -0.007 0.000 0.931 231 S HN 0.683 nan 8.310 nan 0.000 0.440 232 M N 1.604 121.213 119.600 0.014 0.000 2.106 232 M HA -0.156 4.324 4.480 -0.000 0.000 0.259 232 M C 2.315 178.637 176.300 0.036 0.000 1.068 232 M CA 2.240 57.556 55.300 0.026 0.000 1.100 232 M CB -0.818 31.796 32.600 0.023 0.000 1.351 232 M HN 0.490 nan 8.290 nan 0.000 0.404 233 D N 0.383 120.801 120.400 0.031 0.000 2.084 233 D HA -0.112 4.528 4.640 -0.000 0.000 0.196 233 D C 1.903 178.237 176.300 0.056 0.000 0.985 233 D CA 1.763 55.788 54.000 0.041 0.000 0.826 233 D CB 0.024 40.844 40.800 0.034 0.000 0.978 233 D HN 0.268 nan 8.370 nan 0.000 0.456 234 A N 0.116 122.958 122.820 0.037 0.000 2.076 234 A HA -0.126 4.194 4.320 -0.000 0.000 0.220 234 A C 2.156 179.773 177.584 0.057 0.000 1.160 234 A CA 1.030 53.087 52.037 0.032 0.000 0.653 234 A CB -0.573 18.418 19.000 -0.016 0.000 0.801 234 A HN 0.379 nan 8.150 nan 0.000 0.455 235 I N 0.013 120.619 120.570 0.060 0.000 2.296 235 I HA -0.112 4.058 4.170 -0.000 0.000 0.242 235 I C 2.838 179.047 176.117 0.152 0.000 1.087 235 I CA 1.890 63.241 61.300 0.085 0.000 1.393 235 I CB -1.382 36.657 38.000 0.065 0.000 1.093 235 I HN 0.502 nan 8.210 nan 0.000 0.421 236 S N 1.045 116.821 115.700 0.127 0.000 2.377 236 S HA -0.116 4.354 4.470 -0.000 0.000 0.223 236 S C 0.866 175.518 174.600 0.086 0.000 1.030 236 S CA -0.073 58.192 58.200 0.108 0.000 0.970 236 S CB -0.881 62.357 63.200 0.064 0.000 0.830 236 S HN 0.538 nan 8.310 nan 0.000 0.473 237 E N 1.665 121.923 120.200 0.096 0.000 2.502 237 E HA 0.074 4.424 4.350 -0.000 0.000 0.261 237 E C 0.146 176.814 176.600 0.113 0.000 0.974 237 E CA -0.051 56.407 56.400 0.096 0.000 0.936 237 E CB 0.294 30.065 29.700 0.118 0.000 0.926 237 E HN 0.112 nan 8.360 nan 0.000 0.459 238 R N 3.119 123.604 120.500 -0.025 0.000 2.668 238 R HA 0.111 4.451 4.340 -0.000 0.000 0.435 238 R C -0.408 175.716 176.300 -0.293 0.000 1.059 238 R CA -0.201 55.727 56.100 -0.288 0.000 1.073 238 R CB 0.073 30.212 30.300 -0.267 0.000 1.401 238 R HN 0.640 nan 8.270 nan 0.000 0.590 239 D N 0.662 121.031 120.400 -0.052 0.000 2.123 239 D HA -0.187 4.453 4.640 -0.000 0.000 0.196 239 D C 1.609 177.934 176.300 0.042 0.000 0.992 239 D CA 1.425 55.438 54.000 0.023 0.000 0.833 239 D CB -0.176 40.688 40.800 0.107 0.000 0.954 239 D HN 0.357 nan 8.370 nan 0.000 0.455 240 F N -0.503 119.484 119.950 0.062 0.000 2.216 240 F HA -0.093 4.434 4.527 0.000 0.000 0.300 240 F C 1.951 177.824 175.800 0.122 0.000 1.085 240 F CA 0.512 58.559 58.000 0.078 0.000 1.326 240 F CB -0.882 38.152 39.000 0.056 0.000 1.027 240 F HN -0.154 nan 8.300 nan 0.000 0.497 241 V N 0.514 120.107 119.914 -0.536 0.000 2.407 241 V HA -0.183 3.937 4.120 -0.000 0.000 0.245 241 V C 2.529 178.615 176.094 -0.014 0.000 1.041 241 V CA 1.393 63.541 62.300 -0.252 0.000 1.040 241 V CB -0.334 31.225 31.823 -0.440 0.000 0.671 241 V HN 0.349 nan 8.190 nan 0.000 0.455 242 V N -0.047 119.826 119.914 -0.067 0.000 2.261 242 V HA -0.283 3.837 4.120 -0.000 0.000 0.246 242 V C 2.440 178.570 176.094 0.060 0.000 1.047 242 V CA 2.160 64.453 62.300 -0.010 0.000 1.015 242 V CB -0.724 31.085 31.823 -0.024 0.000 0.642 242 V HN 0.583 nan 8.190 nan 0.000 0.446 243 E N -0.535 119.725 120.200 0.100 0.000 2.070 243 E HA -0.290 4.060 4.350 -0.000 0.000 0.197 243 E C 2.068 178.807 176.600 0.232 0.000 1.004 243 E CA 1.950 58.439 56.400 0.150 0.000 0.805 243 E CB -0.300 29.498 29.700 0.162 0.000 0.744 243 E HN 0.612 nan 8.360 nan 0.000 0.451 244 F N 1.434 121.465 119.950 0.135 0.000 2.102 244 F HA -0.167 4.360 4.527 0.000 0.000 0.298 244 F C 1.966 177.908 175.800 0.236 0.000 1.105 244 F CA 1.307 59.437 58.000 0.216 0.000 1.239 244 F CB -0.287 38.816 39.000 0.172 0.000 0.991 244 F HN -0.094 nan 8.300 nan 0.000 0.474 245 L N -0.884 120.302 121.223 -0.061 0.000 2.093 245 L HA -0.173 4.167 4.340 -0.000 0.000 0.208 245 L C 2.729 179.519 176.870 -0.133 0.000 1.085 245 L CA 1.399 56.123 54.840 -0.194 0.000 0.755 245 L CB -1.051 40.965 42.059 -0.071 0.000 0.904 245 L HN 0.202 nan 8.230 nan 0.000 0.435 246 S N -0.152 115.534 115.700 -0.022 0.000 2.383 246 S HA -0.188 4.282 4.470 -0.000 0.000 0.227 246 S C 1.933 176.523 174.600 -0.017 0.000 1.026 246 S CA 1.042 59.241 58.200 -0.002 0.000 0.981 246 S CB -0.272 62.953 63.200 0.042 0.000 0.818 246 S HN 0.455 nan 8.310 nan 0.000 0.472 247 F N 2.413 122.307 119.950 -0.095 0.000 2.113 247 F HA 0.143 4.670 4.527 0.000 0.000 0.297 247 F C 2.196 177.902 175.800 -0.156 0.000 1.103 247 F CA 1.257 59.203 58.000 -0.090 0.000 1.248 247 F CB -1.060 37.921 39.000 -0.032 0.000 0.999 247 F HN 0.210 nan 8.300 nan 0.000 0.475 248 A N -0.081 122.299 122.820 -0.735 0.000 1.933 248 A HA -0.129 4.191 4.320 -0.000 0.000 0.218 248 A C 2.170 179.459 177.584 -0.491 0.000 1.175 248 A CA 2.153 53.708 52.037 -0.803 0.000 0.628 248 A CB -1.487 17.123 19.000 -0.650 0.000 0.814 248 A HN 0.487 nan 8.150 nan 0.000 0.444 249 T N -0.126 114.238 114.554 -0.317 0.000 2.777 249 T HA -0.101 4.249 4.350 -0.000 0.000 0.266 249 T C 1.782 176.333 174.700 -0.249 0.000 1.040 249 T CA 1.495 63.483 62.100 -0.186 0.000 1.141 249 T CB -0.261 68.582 68.868 -0.042 0.000 0.868 249 T HN 0.291 nan 8.240 nan 0.000 0.444 250 L N 1.125 122.161 121.223 -0.312 0.000 2.156 250 L HA 0.187 4.527 4.340 -0.000 0.000 0.208 250 L C 2.042 178.551 176.870 -0.602 0.000 1.095 250 L CA 1.153 55.748 54.840 -0.409 0.000 0.770 250 L CB -0.784 41.078 42.059 -0.329 0.000 0.914 250 L HN 0.170 nan 8.230 nan 0.000 0.439 251 L N -0.939 119.965 121.223 -0.532 0.000 2.046 251 L HA -0.179 4.161 4.340 -0.000 0.000 0.208 251 L C 2.211 178.924 176.870 -0.261 0.000 1.077 251 L CA 1.894 56.490 54.840 -0.407 0.000 0.747 251 L CB -0.589 41.143 42.059 -0.546 0.000 0.896 251 L HN 0.221 nan 8.230 nan 0.000 0.432 252 M N -0.778 118.665 119.600 -0.262 0.000 2.229 252 M HA -0.128 4.352 4.480 -0.000 0.000 0.264 252 M C 2.256 178.476 176.300 -0.133 0.000 1.063 252 M CA 1.129 56.333 55.300 -0.160 0.000 1.114 252 M CB -0.997 31.522 32.600 -0.135 0.000 1.387 252 M HN 0.257 nan 8.290 nan 0.000 0.420 253 I N -0.374 120.083 120.570 -0.189 0.000 2.142 253 I HA -0.300 3.870 4.170 -0.000 0.000 0.240 253 I C 2.310 178.408 176.117 -0.031 0.000 1.078 253 I CA 1.699 62.915 61.300 -0.139 0.000 1.343 253 I CB -1.523 36.363 38.000 -0.190 0.000 1.046 253 I HN 0.415 nan 8.210 nan 0.000 0.405 254 H N -0.230 118.795 119.070 -0.076 0.000 2.353 254 H HA -0.203 4.353 4.556 -0.000 0.000 0.298 254 H C 2.162 177.443 175.328 -0.078 0.000 1.103 254 H CA 0.869 56.886 56.048 -0.052 0.000 1.293 254 H CB 0.089 29.823 29.762 -0.046 0.000 1.372 254 H HN 0.124 nan 8.280 nan 0.000 0.501 255 L N 0.669 121.911 121.223 0.031 0.000 2.093 255 L HA -0.154 4.186 4.340 -0.000 0.000 0.208 255 L C 2.628 179.458 176.870 -0.067 0.000 1.085 255 L CA 1.653 56.466 54.840 -0.044 0.000 0.755 255 L CB -0.569 41.461 42.059 -0.049 0.000 0.904 255 L HN 0.302 nan 8.230 nan 0.000 0.435 256 S N -1.362 114.306 115.700 -0.053 0.000 2.428 256 S HA -0.212 4.258 4.470 -0.000 0.000 0.230 256 S C 2.015 176.580 174.600 -0.060 0.000 1.014 256 S CA 1.021 59.186 58.200 -0.059 0.000 0.957 256 S CB -0.370 62.795 63.200 -0.058 0.000 0.784 256 S HN 0.474 nan 8.310 nan 0.000 0.499 257 K N 0.920 121.298 120.400 -0.036 0.000 2.062 257 K HA 0.076 4.396 4.320 -0.000 0.000 0.205 257 K C 2.345 178.909 176.600 -0.060 0.000 1.051 257 K CA 1.078 57.359 56.287 -0.010 0.000 0.941 257 K CB -0.286 32.256 32.500 0.070 0.000 0.719 257 K HN 0.442 nan 8.250 nan 0.000 0.440 258 M N 0.524 119.998 119.600 -0.210 0.000 2.086 258 M HA -0.133 4.347 4.480 -0.000 0.000 0.261 258 M C 2.097 178.256 176.300 -0.235 0.000 1.067 258 M CA 1.791 56.797 55.300 -0.491 0.000 1.116 258 M CB -0.158 32.002 32.600 -0.733 0.000 1.348 258 M HN 0.284 nan 8.290 nan 0.000 0.407 259 A N 0.112 122.832 122.820 -0.166 0.000 1.883 259 A HA -0.271 4.048 4.320 -0.000 0.000 0.217 259 A C 1.830 179.340 177.584 -0.123 0.000 1.186 259 A CA 2.305 54.273 52.037 -0.115 0.000 0.624 259 A CB -1.019 17.930 19.000 -0.084 0.000 0.822 259 A HN 0.659 nan 8.150 nan 0.000 0.444 260 E N 0.476 120.602 120.200 -0.123 0.000 2.049 260 E HA -0.231 4.119 4.350 -0.000 0.000 0.198 260 E C 1.507 177.966 176.600 -0.236 0.000 1.007 260 E CA 1.958 58.271 56.400 -0.145 0.000 0.809 260 E CB -0.328 29.305 29.700 -0.111 0.000 0.749 260 E HN 0.556 nan 8.360 nan 0.000 0.450 261 D N -0.460 119.795 120.400 -0.242 0.000 2.104 261 D HA -0.159 4.481 4.640 -0.000 0.000 0.194 261 D C 1.909 177.814 176.300 -0.657 0.000 0.994 261 D CA 1.047 54.756 54.000 -0.485 0.000 0.830 261 D CB -0.277 40.459 40.800 -0.107 0.000 0.959 261 D HN 0.192 nan 8.370 nan 0.000 0.452 262 L N 0.629 121.704 121.223 -0.247 0.000 2.141 262 L HA -0.064 4.276 4.340 -0.000 0.000 0.209 262 L C 2.403 179.207 176.870 -0.109 0.000 1.094 262 L CA 0.825 55.619 54.840 -0.076 0.000 0.763 262 L CB -0.500 41.579 42.059 0.034 0.000 0.908 262 L HN 0.083 nan 8.230 nan 0.000 0.437 263 I N -0.953 119.520 120.570 -0.161 0.000 2.142 263 I HA -0.323 3.847 4.170 -0.000 0.000 0.240 263 I C 2.335 178.319 176.117 -0.222 0.000 1.078 263 I CA 1.402 62.616 61.300 -0.143 0.000 1.343 263 I CB -0.247 37.673 38.000 -0.133 0.000 1.046 263 I HN 0.155 nan 8.210 nan 0.000 0.405 264 I N -0.160 120.185 120.570 -0.375 0.000 2.179 264 I HA -0.317 3.853 4.170 -0.000 0.000 0.242 264 I C 2.432 178.153 176.117 -0.660 0.000 1.088 264 I CA 1.533 62.471 61.300 -0.603 0.000 1.357 264 I CB -0.570 36.962 38.000 -0.780 0.000 1.051 264 I HN 0.188 nan 8.210 nan 0.000 0.409 265 Y N 1.015 121.022 120.300 -0.490 0.000 2.421 265 Y HA -0.119 4.431 4.550 -0.000 0.000 0.292 265 Y C 2.838 178.667 175.900 -0.119 0.000 1.136 265 Y CA 0.711 58.628 58.100 -0.305 0.000 1.255 265 Y CB -1.238 37.255 38.460 0.054 0.000 0.991 265 Y HN 0.281 nan 8.280 nan 0.000 0.552 266 S N -1.092 114.632 115.700 0.040 0.000 2.593 266 S HA 0.025 4.495 4.470 -0.000 0.000 0.217 266 S C 0.899 175.507 174.600 0.014 0.000 0.966 266 S CA -0.042 58.186 58.200 0.048 0.000 0.914 266 S CB -1.201 62.022 63.200 0.039 0.000 0.776 266 S HN 0.372 nan 8.310 nan 0.000 0.523 267 T N -0.524 114.016 114.554 -0.023 0.000 2.860 267 T HA 0.346 4.696 4.350 -0.000 0.000 0.299 267 T C 1.219 175.949 174.700 0.050 0.000 1.045 267 T CA -0.110 61.993 62.100 0.005 0.000 1.071 267 T CB 0.924 69.794 68.868 0.003 0.000 0.985 267 T HN 0.081 nan 8.240 nan 0.000 0.537 268 S N 1.330 117.056 115.700 0.042 0.000 2.353 268 S HA -0.137 4.333 4.470 -0.000 0.000 0.222 268 S C 2.005 176.631 174.600 0.045 0.000 1.035 268 S CA 1.546 59.768 58.200 0.037 0.000 1.025 268 S CB -0.597 62.618 63.200 0.024 0.000 0.902 268 S HN 0.859 nan 8.310 nan 0.000 0.440 269 E N 0.941 121.179 120.200 0.063 0.000 2.068 269 E HA -0.178 4.172 4.350 -0.000 0.000 0.207 269 E C 1.694 178.278 176.600 -0.026 0.000 1.032 269 E CA 1.664 58.089 56.400 0.041 0.000 0.839 269 E CB -0.511 29.253 29.700 0.107 0.000 0.758 269 E HN 0.509 nan 8.360 nan 0.000 0.457 270 F N -0.951 118.863 119.950 -0.226 0.000 2.128 270 F HA 0.143 4.670 4.527 -0.000 0.000 0.295 270 F C 2.053 177.640 175.800 -0.356 0.000 1.100 270 F CA 1.213 58.921 58.000 -0.487 0.000 1.260 270 F CB -0.706 37.878 39.000 -0.692 0.000 1.009 270 F HN 0.212 nan 8.300 nan 0.000 0.476 271 G N -0.516 108.311 108.800 0.046 0.000 2.203 271 G HA2 -0.320 3.640 3.960 -0.000 0.000 0.263 271 G HA3 -0.320 3.640 3.960 -0.000 0.000 0.263 271 G C 0.903 175.948 174.900 0.241 0.000 1.012 271 G CA 0.487 45.650 45.100 0.104 0.000 0.749 271 G HN 0.242 nan 8.290 nan 0.000 0.512 272 F N -0.660 119.311 119.950 0.035 0.000 2.325 272 F HA 0.358 4.885 4.527 -0.000 0.000 0.299 272 F C 1.496 177.223 175.800 -0.120 0.000 1.090 272 F CA 1.037 58.987 58.000 -0.082 0.000 1.392 272 F CB -0.353 38.563 39.000 -0.141 0.000 1.053 272 F HN 0.480 nan 8.300 nan 0.000 0.521 273 L N -4.088 117.229 121.223 0.158 0.000 2.869 273 L HA 0.708 5.048 4.340 -0.000 0.000 0.265 273 L C -0.825 176.088 176.870 0.072 0.000 1.011 273 L CA -0.849 54.029 54.840 0.064 0.000 0.913 273 L CB 1.749 43.843 42.059 0.057 0.000 1.490 273 L HN -0.359 nan 8.230 nan 0.000 0.410 274 T N 0.909 115.491 114.554 0.046 0.000 2.906 274 T HA 0.714 5.064 4.350 -0.000 0.000 0.295 274 T C -0.494 174.232 174.700 0.044 0.000 1.061 274 T CA -0.608 61.519 62.100 0.046 0.000 1.000 274 T CB 1.713 70.603 68.868 0.036 0.000 1.103 274 T HN 0.650 nan 8.240 nan 0.000 0.486 275 L N 1.813 123.065 121.223 0.049 0.000 2.418 275 L HA 0.280 4.620 4.340 -0.000 0.000 0.265 275 L C 1.959 178.874 176.870 0.075 0.000 1.143 275 L CA -0.498 54.373 54.840 0.051 0.000 0.809 275 L CB 1.107 43.210 42.059 0.073 0.000 1.124 275 L HN 0.939 nan 8.230 nan 0.000 0.456 276 S N -0.599 115.158 115.700 0.095 0.000 2.500 276 S HA -0.171 4.299 4.470 -0.000 0.000 0.239 276 S C 0.557 175.247 174.600 0.150 0.000 0.989 276 S CA 1.134 59.414 58.200 0.133 0.000 0.951 276 S CB -0.206 63.103 63.200 0.181 0.000 0.759 276 S HN 0.898 nan 8.310 nan 0.000 0.523 277 D N -0.113 120.384 120.400 0.162 0.000 2.074 277 D HA -0.181 4.459 4.640 -0.000 0.000 0.214 277 D C 1.190 177.549 176.300 0.097 0.000 1.279 277 D CA 1.303 55.368 54.000 0.109 0.000 1.539 277 D CB -1.856 38.986 40.800 0.070 0.000 1.415 277 D HN 0.596 nan 8.370 nan 0.000 0.630 278 A N 0.126 123.023 122.820 0.128 0.000 2.066 278 A HA 0.103 4.423 4.320 -0.000 0.000 0.218 278 A C 1.530 178.969 177.584 -0.242 0.000 1.157 278 A CA 1.173 53.168 52.037 -0.070 0.000 0.670 278 A CB -0.540 18.381 19.000 -0.132 0.000 0.804 278 A HN 0.252 nan 8.150 nan 0.000 0.453 279 F N 0.171 120.127 119.950 0.009 0.000 2.653 279 F HA 0.202 4.729 4.527 -0.000 0.000 0.304 279 F C 1.277 177.080 175.800 0.006 0.000 1.092 279 F CA 0.078 58.082 58.000 0.007 0.000 1.279 279 F CB -0.029 38.976 39.000 0.010 0.000 1.044 279 F HN 0.171 nan 8.300 nan 0.000 0.564 280 S N -1.490 114.296 115.700 0.143 0.000 2.767 280 S HA 0.916 5.386 4.470 -0.000 0.000 0.300 280 S C -0.073 174.551 174.600 0.041 0.000 1.123 280 S CA -0.349 57.903 58.200 0.087 0.000 0.992 280 S CB 2.481 65.729 63.200 0.080 0.000 1.138 280 S HN -0.003 nan 8.310 nan 0.000 0.550 292 P HA 0.002 nan 4.420 nan 0.000 0.262 292 P C -0.175 177.148 177.300 0.039 0.000 1.647 292 P CA 0.173 63.297 63.100 0.039 0.000 0.865 292 P CB 0.172 31.886 31.700 0.024 0.000 1.834 293 D N 1.104 121.526 120.400 0.037 0.000 2.200 293 D HA -0.211 4.429 4.640 -0.000 0.000 0.192 293 D C 2.168 178.493 176.300 0.043 0.000 1.008 293 D CA 2.196 56.214 54.000 0.030 0.000 0.872 293 D CB -0.570 40.244 40.800 0.023 0.000 0.923 293 D HN 0.353 nan 8.370 nan 0.000 0.447 294 S N 0.155 115.904 115.700 0.081 0.000 2.372 294 S HA -0.205 4.265 4.470 -0.000 0.000 0.227 294 S C 2.245 176.884 174.600 0.066 0.000 1.044 294 S CA 1.074 59.342 58.200 0.113 0.000 1.050 294 S CB -0.833 62.515 63.200 0.246 0.000 0.901 294 S HN 0.334 nan 8.310 nan 0.000 0.447 295 L N 0.823 122.070 121.223 0.041 0.000 2.005 295 L HA -0.052 4.288 4.340 -0.000 0.000 0.207 295 L C 3.030 179.895 176.870 -0.009 0.000 1.072 295 L CA 1.668 56.510 54.840 0.002 0.000 0.744 295 L CB -0.778 41.272 42.059 -0.015 0.000 0.895 295 L HN 0.245 nan 8.230 nan 0.000 0.433 296 E N 0.550 120.747 120.200 -0.005 0.000 2.085 296 E HA -0.201 4.149 4.350 -0.000 0.000 0.194 296 E C 2.243 178.840 176.600 -0.006 0.000 0.994 296 E CA 1.149 57.542 56.400 -0.011 0.000 0.801 296 E CB -0.431 29.265 29.700 -0.008 0.000 0.743 296 E HN 0.330 nan 8.360 nan 0.000 0.453 297 L N 0.119 121.345 121.223 0.006 0.000 1.971 297 L HA -0.236 4.104 4.340 -0.000 0.000 0.215 297 L C 2.399 179.271 176.870 0.003 0.000 1.072 297 L CA 1.350 56.195 54.840 0.009 0.000 0.758 297 L CB -0.595 41.475 42.059 0.019 0.000 0.889 297 L HN 0.174 nan 8.230 nan 0.000 0.433 298 I N -0.468 120.103 120.570 0.003 0.000 2.113 298 I HA -0.390 3.780 4.170 -0.000 0.000 0.242 298 I C 2.891 178.995 176.117 -0.022 0.000 1.064 298 I CA 1.644 62.938 61.300 -0.009 0.000 1.320 298 I CB -0.449 37.541 38.000 -0.016 0.000 1.028 298 I HN 0.298 nan 8.210 nan 0.000 0.406 299 R N 1.124 121.607 120.500 -0.029 0.000 2.091 299 R HA -0.199 4.141 4.340 -0.000 0.000 0.238 299 R C 2.525 178.808 176.300 -0.027 0.000 1.136 299 R CA 2.122 58.200 56.100 -0.036 0.000 0.959 299 R CB -0.246 30.029 30.300 -0.042 0.000 0.856 299 R HN 0.507 nan 8.270 nan 0.000 0.437 300 S N 0.272 115.962 115.700 -0.017 0.000 2.423 300 S HA -0.059 4.411 4.470 -0.000 0.000 0.231 300 S C 1.563 176.163 174.600 -0.001 0.000 1.014 300 S CA 0.715 58.910 58.200 -0.008 0.000 0.965 300 S CB -0.031 63.167 63.200 -0.002 0.000 0.785 300 S HN 0.229 nan 8.310 nan 0.000 0.495 301 K N 1.650 122.048 120.400 -0.004 0.000 2.362 301 K HA 0.119 4.439 4.320 -0.000 0.000 0.200 301 K C 2.312 178.910 176.600 -0.004 0.000 1.046 301 K CA 0.880 57.167 56.287 -0.000 0.000 0.952 301 K CB -0.919 31.579 32.500 -0.002 0.000 0.753 301 K HN 0.497 nan 8.250 nan 0.000 0.466 302 S N 0.690 116.381 115.700 -0.015 0.000 2.351 302 S HA -0.142 4.328 4.470 -0.000 0.000 0.220 302 S C 2.099 176.720 174.600 0.036 0.000 1.035 302 S CA 1.853 60.041 58.200 -0.020 0.000 1.031 302 S CB -0.478 62.694 63.200 -0.048 0.000 0.928 302 S HN 0.466 nan 8.310 nan 0.000 0.433 303 G N 1.388 110.217 108.800 0.048 0.000 2.418 303 G HA2 -0.228 3.732 3.960 -0.000 0.000 0.217 303 G HA3 -0.228 3.732 3.960 -0.000 0.000 0.217 303 G C 1.525 176.497 174.900 0.121 0.000 1.158 303 G CA 0.876 46.053 45.100 0.127 0.000 0.771 303 G HN 0.558 nan 8.290 nan 0.000 0.545 304 R N -0.030 120.504 120.500 0.056 0.000 2.096 304 R HA -0.104 4.235 4.340 -0.000 0.000 0.240 304 R C 2.597 178.908 176.300 0.018 0.000 1.139 304 R CA 1.963 58.081 56.100 0.030 0.000 0.952 304 R CB -0.463 29.850 30.300 0.021 0.000 0.854 304 R HN 0.282 nan 8.270 nan 0.000 0.436 305 V N 0.757 120.683 119.914 0.021 0.000 2.358 305 V HA -0.210 3.910 4.120 -0.000 0.000 0.246 305 V C 2.070 178.168 176.094 0.007 0.000 1.047 305 V CA 1.738 64.033 62.300 -0.008 0.000 1.035 305 V CB -0.762 31.035 31.823 -0.045 0.000 0.658 305 V HN 0.343 nan 8.190 nan 0.000 0.452 306 F N 2.530 122.433 119.950 -0.079 0.000 2.126 306 F HA -0.066 4.461 4.527 -0.000 0.000 0.299 306 F C 2.159 177.926 175.800 -0.055 0.000 1.096 306 F CA 1.531 59.487 58.000 -0.074 0.000 1.255 306 F CB -0.997 37.962 39.000 -0.067 0.000 0.997 306 F HN 0.135 nan 8.300 nan 0.000 0.479 307 G N 0.849 109.487 108.800 -0.271 0.000 2.442 307 G HA2 -0.258 3.702 3.960 -0.000 0.000 0.219 307 G HA3 -0.258 3.702 3.960 -0.000 0.000 0.219 307 G C 1.829 176.554 174.900 -0.291 0.000 1.141 307 G CA 0.684 45.577 45.100 -0.345 0.000 0.763 307 G HN 0.225 nan 8.290 nan 0.000 0.554 308 R N -0.240 120.150 120.500 -0.183 0.000 2.075 308 R HA 0.021 4.361 4.340 -0.000 0.000 0.232 308 R C 2.470 178.669 176.300 -0.167 0.000 1.126 308 R CA 0.874 56.894 56.100 -0.134 0.000 0.963 308 R CB -1.328 28.931 30.300 -0.068 0.000 0.858 308 R HN 0.448 nan 8.270 nan 0.000 0.435 309 L N 1.056 122.161 121.223 -0.197 0.000 2.012 309 L HA -0.092 4.248 4.340 -0.000 0.000 0.210 309 L C 2.212 178.947 176.870 -0.226 0.000 1.073 309 L CA 2.202 56.940 54.840 -0.170 0.000 0.748 309 L CB -0.926 41.068 42.059 -0.108 0.000 0.891 309 L HN 0.172 nan 8.230 nan 0.000 0.431 310 A N -1.538 121.032 122.820 -0.418 0.000 1.933 310 A HA -0.229 4.091 4.320 -0.000 0.000 0.218 310 A C 2.524 179.971 177.584 -0.228 0.000 1.175 310 A CA 1.961 53.771 52.037 -0.378 0.000 0.628 310 A CB -1.153 17.476 19.000 -0.619 0.000 0.814 310 A HN 0.589 nan 8.150 nan 0.000 0.444 311 S N -0.330 115.241 115.700 -0.216 0.000 2.348 311 S HA -0.134 4.335 4.470 -0.000 0.000 0.221 311 S C 1.878 176.408 174.600 -0.116 0.000 1.033 311 S CA 1.623 59.736 58.200 -0.145 0.000 1.010 311 S CB -0.390 62.734 63.200 -0.127 0.000 0.891 311 S HN 0.381 nan 8.310 nan 0.000 0.442 312 I N 1.764 122.266 120.570 -0.114 0.000 2.394 312 I HA -0.044 4.126 4.170 -0.000 0.000 0.251 312 I C 2.268 178.330 176.117 -0.092 0.000 1.136 312 I CA 0.874 62.114 61.300 -0.100 0.000 1.425 312 I CB -1.543 36.397 38.000 -0.100 0.000 1.079 312 I HN 0.351 nan 8.210 nan 0.000 0.425 313 L N -0.234 120.935 121.223 -0.091 0.000 2.131 313 L HA -0.198 4.142 4.340 -0.000 0.000 0.210 313 L C 2.623 179.454 176.870 -0.065 0.000 1.092 313 L CA 1.316 56.113 54.840 -0.071 0.000 0.759 313 L CB -0.376 41.644 42.059 -0.064 0.000 0.903 313 L HN 0.259 nan 8.230 nan 0.000 0.435 314 M N -0.922 118.634 119.600 -0.075 0.000 2.288 314 M HA -0.107 4.373 4.480 -0.000 0.000 0.266 314 M C 2.076 178.338 176.300 -0.063 0.000 1.072 314 M CA 1.158 56.420 55.300 -0.064 0.000 1.132 314 M CB 0.197 32.757 32.600 -0.067 0.000 1.386 314 M HN -0.026 nan 8.290 nan 0.000 0.432 315 V N 1.148 121.018 119.914 -0.072 0.000 2.407 315 V HA -0.270 3.850 4.120 -0.000 0.000 0.248 315 V C 2.233 178.283 176.094 -0.073 0.000 1.055 315 V CA 1.653 63.908 62.300 -0.074 0.000 1.049 315 V CB -0.610 31.163 31.823 -0.083 0.000 0.662 315 V HN 0.532 nan 8.190 nan 0.000 0.455 316 L N -0.639 120.541 121.223 -0.071 0.000 2.162 316 L HA -0.047 4.293 4.340 -0.000 0.000 0.205 316 L C 2.577 179.417 176.870 -0.050 0.000 1.086 316 L CA 0.887 55.688 54.840 -0.064 0.000 0.778 316 L CB -0.737 41.284 42.059 -0.062 0.000 0.928 316 L HN 0.228 nan 8.230 nan 0.000 0.446 317 K N 1.501 121.874 120.400 -0.046 0.000 2.023 317 K HA -0.208 4.112 4.320 -0.000 0.000 0.227 317 K C 0.863 177.443 176.600 -0.033 0.000 1.054 317 K CA 2.006 58.272 56.287 -0.035 0.000 0.977 317 K CB -0.766 31.714 32.500 -0.034 0.000 0.733 317 K HN 0.323 nan 8.250 nan 0.000 0.451 318 G N 1.382 110.160 108.800 -0.036 0.000 2.547 318 G HA2 0.538 4.498 3.960 -0.000 0.000 0.327 318 G HA3 0.538 4.498 3.960 -0.000 0.000 0.327 318 G C -0.929 173.946 174.900 -0.041 0.000 1.118 318 G CA -0.549 44.531 45.100 -0.034 0.000 1.022 318 G HN 0.223 nan 8.290 nan 0.000 0.464 319 L N 3.799 124.998 121.223 -0.039 0.000 2.641 319 L HA 0.369 4.709 4.340 -0.000 0.000 0.261 319 L C -2.143 174.705 176.870 -0.037 0.000 0.926 319 L CA -1.480 53.332 54.840 -0.048 0.000 0.917 319 L CB 3.045 45.065 42.059 -0.064 0.000 1.361 319 L HN 0.444 nan 8.230 nan 0.000 0.417 320 P HA 0.347 nan 4.420 nan 0.000 0.276 320 P C -0.521 176.766 177.300 -0.021 0.000 1.252 320 P CA -0.417 62.669 63.100 -0.023 0.000 0.802 320 P CB 1.344 33.032 31.700 -0.021 0.000 1.035 321 S N -0.089 115.606 115.700 -0.008 0.000 2.592 321 S HA 0.253 4.723 4.470 -0.000 0.000 0.271 321 S C 0.953 175.558 174.600 0.008 0.000 1.326 321 S CA -0.264 57.938 58.200 0.003 0.000 1.024 321 S CB 0.789 63.995 63.200 0.011 0.000 0.921 321 S HN 0.556 nan 8.310 nan 0.000 0.527 322 T N 0.372 114.943 114.554 0.028 0.000 3.507 322 T HA 0.166 4.516 4.350 -0.000 0.000 0.197 322 T C -0.116 174.623 174.700 0.066 0.000 0.847 322 T CA -0.043 62.087 62.100 0.050 0.000 1.531 322 T CB -0.463 68.448 68.868 0.071 0.000 1.834 322 T HN 0.582 nan 8.240 nan 0.000 0.433 323 Y N 3.089 123.385 120.300 -0.007 0.000 2.397 323 Y HA 0.388 4.938 4.550 0.000 0.000 0.335 323 Y C -0.207 175.684 175.900 -0.014 0.000 1.213 323 Y CA -0.564 57.530 58.100 -0.010 0.000 1.391 323 Y CB 0.276 38.728 38.460 -0.013 0.000 1.293 323 Y HN 0.213 nan 8.280 nan 0.000 0.557 324 N N 4.581 122.702 118.700 -0.965 0.000 2.324 324 N HA 0.108 4.848 4.740 -0.000 0.000 0.285 324 N C 0.080 175.030 175.510 -0.934 0.000 1.076 324 N CA -0.706 51.932 53.050 -0.687 0.000 0.864 324 N CB 2.178 40.466 38.487 -0.331 0.000 1.632 324 N HN 0.566 nan 8.380 nan 0.000 0.478 325 K N 0.986 121.073 120.400 -0.521 0.000 2.228 325 K HA -0.157 4.163 4.320 -0.000 0.000 0.205 325 K C 0.318 176.790 176.600 -0.212 0.000 1.045 325 K CA 1.572 57.697 56.287 -0.271 0.000 0.931 325 K CB -0.068 32.378 32.500 -0.090 0.000 0.727 325 K HN 0.544 nan 8.250 nan 0.000 0.458 326 D N 0.493 120.762 120.400 -0.218 0.000 2.158 326 D HA -0.178 4.462 4.640 -0.000 0.000 0.197 326 D C 1.553 177.770 176.300 -0.138 0.000 0.995 326 D CA 0.771 54.681 54.000 -0.149 0.000 0.846 326 D CB -0.188 40.530 40.800 -0.137 0.000 0.941 326 D HN 0.034 nan 8.370 nan 0.000 0.456 327 L N 0.854 121.966 121.223 -0.185 0.000 2.450 327 L HA -0.174 4.166 4.340 -0.000 0.000 0.225 327 L C 2.055 178.893 176.870 -0.053 0.000 1.145 327 L CA 1.304 56.076 54.840 -0.113 0.000 0.801 327 L CB -0.829 41.173 42.059 -0.095 0.000 0.924 327 L HN 0.144 nan 8.230 nan 0.000 0.447 328 Q N -0.534 119.241 119.800 -0.043 0.000 2.226 328 Q HA -0.168 4.172 4.340 -0.000 0.000 0.204 328 Q C 1.477 177.447 176.000 -0.050 0.000 0.975 328 Q CA 0.760 56.552 55.803 -0.018 0.000 0.866 328 Q CB -0.090 28.646 28.738 -0.004 0.000 0.915 328 Q HN 0.532 nan 8.270 nan 0.000 0.440 329 E N 1.199 121.360 120.200 -0.064 0.000 2.515 329 E HA -0.142 4.208 4.350 -0.000 0.000 0.201 329 E C 1.151 177.695 176.600 -0.094 0.000 1.071 329 E CA 0.728 57.085 56.400 -0.072 0.000 0.880 329 E CB 0.004 29.662 29.700 -0.070 0.000 0.828 329 E HN 0.530 nan 8.360 nan 0.000 0.540 330 D N 0.590 120.925 120.400 -0.107 0.000 2.137 330 D HA -0.151 4.489 4.640 -0.000 0.000 0.202 330 D C 1.572 177.753 176.300 -0.198 0.000 0.970 330 D CA 0.755 54.673 54.000 -0.137 0.000 0.837 330 D CB -0.304 40.413 40.800 -0.138 0.000 0.981 330 D HN 0.047 nan 8.370 nan 0.000 0.475 331 K N 0.578 120.821 120.400 -0.262 0.000 2.020 331 K HA -0.155 4.165 4.320 -0.000 0.000 0.212 331 K C 2.318 178.536 176.600 -0.636 0.000 1.050 331 K CA 1.721 57.672 56.287 -0.560 0.000 0.929 331 K CB -0.127 32.080 32.500 -0.489 0.000 0.714 331 K HN 0.275 nan 8.250 nan 0.000 0.443 332 E N 0.320 120.358 120.200 -0.271 0.000 2.153 332 E HA -0.193 4.157 4.350 -0.000 0.000 0.194 332 E C 2.018 178.591 176.600 -0.044 0.000 0.988 332 E CA 0.976 57.325 56.400 -0.085 0.000 0.811 332 E CB -0.115 29.579 29.700 -0.009 0.000 0.746 332 E HN 0.353 nan 8.360 nan 0.000 0.466 333 A N 0.955 123.729 122.820 -0.077 0.000 1.873 333 A HA -0.133 4.187 4.320 -0.000 0.000 0.215 333 A C 2.511 180.127 177.584 0.053 0.000 1.186 333 A CA 1.100 53.126 52.037 -0.018 0.000 0.616 333 A CB -0.632 18.342 19.000 -0.044 0.000 0.823 333 A HN 0.113 nan 8.150 nan 0.000 0.442 334 V N -0.821 119.090 119.914 -0.004 0.000 2.261 334 V HA -0.260 3.860 4.120 -0.000 0.000 0.246 334 V C 2.351 178.637 176.094 0.320 0.000 1.047 334 V CA 2.073 64.465 62.300 0.153 0.000 1.015 334 V CB -1.006 30.803 31.823 -0.024 0.000 0.642 334 V HN 0.650 nan 8.190 nan 0.000 0.446 335 F N 0.357 120.397 119.950 0.149 0.000 2.161 335 F HA -0.252 4.275 4.527 -0.000 0.000 0.300 335 F C 2.443 178.342 175.800 0.166 0.000 1.089 335 F CA 1.497 59.582 58.000 0.142 0.000 1.282 335 F CB -0.283 38.714 39.000 -0.006 0.000 1.010 335 F HN 0.287 nan 8.300 nan 0.000 0.485 336 D N 0.422 121.005 120.400 0.305 0.000 2.097 336 D HA -0.142 4.498 4.640 -0.000 0.000 0.197 336 D C 2.100 178.520 176.300 0.199 0.000 0.984 336 D CA 1.117 55.239 54.000 0.204 0.000 0.826 336 D CB -0.221 40.656 40.800 0.127 0.000 0.973 336 D HN 0.004 nan 8.370 nan 0.000 0.460 337 V N -0.012 120.033 119.914 0.218 0.000 2.407 337 V HA -0.196 3.924 4.120 -0.000 0.000 0.248 337 V C 2.645 178.914 176.094 0.292 0.000 1.055 337 V CA 1.194 63.608 62.300 0.190 0.000 1.049 337 V CB -0.335 31.562 31.823 0.124 0.000 0.662 337 V HN 0.155 nan 8.190 nan 0.000 0.455 338 V N 0.246 120.428 119.914 0.446 0.000 2.343 338 V HA -0.258 3.862 4.120 -0.000 0.000 0.247 338 V C 2.254 178.518 176.094 0.282 0.000 1.051 338 V CA 2.287 64.846 62.300 0.432 0.000 1.036 338 V CB -0.608 31.481 31.823 0.443 0.000 0.654 338 V HN 0.592 nan 8.190 nan 0.000 0.451 339 D N -0.627 119.920 120.400 0.244 0.000 2.149 339 D HA -0.101 4.539 4.640 -0.000 0.000 0.201 339 D C 2.257 178.637 176.300 0.134 0.000 0.972 339 D CA 1.592 55.695 54.000 0.170 0.000 0.835 339 D CB -0.303 40.584 40.800 0.145 0.000 0.966 339 D HN 0.382 nan 8.370 nan 0.000 0.476 340 T N 1.380 116.011 114.554 0.128 0.000 2.708 340 T HA -0.104 4.246 4.350 -0.000 0.000 0.266 340 T C 2.013 176.762 174.700 0.081 0.000 1.037 340 T CA 0.574 62.725 62.100 0.086 0.000 1.146 340 T CB -0.175 68.733 68.868 0.066 0.000 0.865 340 T HN -0.013 nan 8.240 nan 0.000 0.435 341 L N 0.996 122.283 121.223 0.107 0.000 2.017 341 L HA -0.069 4.271 4.340 -0.000 0.000 0.208 341 L C 2.862 179.816 176.870 0.141 0.000 1.073 341 L CA 1.722 56.626 54.840 0.107 0.000 0.745 341 L CB -1.474 40.673 42.059 0.146 0.000 0.894 341 L HN 0.244 nan 8.230 nan 0.000 0.432 342 T N -0.460 114.203 114.554 0.181 0.000 2.652 342 T HA -0.242 4.108 4.350 -0.000 0.000 0.267 342 T C 1.947 176.696 174.700 0.082 0.000 1.039 342 T CA 1.578 63.809 62.100 0.217 0.000 1.153 342 T CB -0.439 68.563 68.868 0.223 0.000 0.863 342 T HN 0.433 nan 8.240 nan 0.000 0.428 343 A N 0.822 123.680 122.820 0.063 0.000 1.855 343 A HA -0.036 4.284 4.320 -0.000 0.000 0.215 343 A C 2.611 180.205 177.584 0.017 0.000 1.191 343 A CA 1.425 53.474 52.037 0.021 0.000 0.613 343 A CB -1.103 17.917 19.000 0.033 0.000 0.829 343 A HN 0.330 nan 8.150 nan 0.000 0.442 344 V N 0.346 120.280 119.914 0.033 0.000 2.332 344 V HA -0.289 3.831 4.120 -0.000 0.000 0.248 344 V C 2.594 178.703 176.094 0.025 0.000 1.055 344 V CA 2.060 64.377 62.300 0.028 0.000 1.038 344 V CB -0.795 31.040 31.823 0.019 0.000 0.651 344 V HN 0.562 nan 8.190 nan 0.000 0.450 345 L N -0.689 120.554 121.223 0.033 0.000 2.046 345 L HA -0.254 4.086 4.340 -0.000 0.000 0.208 345 L C 2.677 179.550 176.870 0.004 0.000 1.077 345 L CA 1.747 56.610 54.840 0.038 0.000 0.747 345 L CB -0.610 41.511 42.059 0.102 0.000 0.896 345 L HN 0.390 nan 8.230 nan 0.000 0.432 346 Q N -0.765 119.002 119.800 -0.055 0.000 2.119 346 Q HA -0.141 4.199 4.340 -0.000 0.000 0.201 346 Q C 2.351 178.384 176.000 0.055 0.000 0.972 346 Q CA 1.161 56.925 55.803 -0.065 0.000 0.847 346 Q CB -0.082 28.552 28.738 -0.172 0.000 0.903 346 Q HN 0.354 nan 8.270 nan 0.000 0.433 347 V N 1.065 121.029 119.914 0.082 0.000 2.407 347 V HA -0.280 3.840 4.120 -0.000 0.000 0.248 347 V C 2.274 178.465 176.094 0.161 0.000 1.055 347 V CA 1.785 64.209 62.300 0.206 0.000 1.049 347 V CB -0.955 30.959 31.823 0.152 0.000 0.662 347 V HN 0.385 nan 8.190 nan 0.000 0.455 348 A N -0.184 122.669 122.820 0.055 0.000 1.858 348 A HA -0.245 4.075 4.320 -0.000 0.000 0.216 348 A C 2.418 179.977 177.584 -0.042 0.000 1.190 348 A CA 2.616 54.646 52.037 -0.011 0.000 0.617 348 A CB -1.117 17.872 19.000 -0.019 0.000 0.827 348 A HN 0.480 nan 8.150 nan 0.000 0.443 349 T N -0.150 114.400 114.554 -0.007 0.000 2.635 349 T HA -0.107 4.243 4.350 -0.000 0.000 0.267 349 T C 1.980 176.653 174.700 -0.045 0.000 1.040 349 T CA 1.767 63.861 62.100 -0.011 0.000 1.156 349 T CB -0.835 68.045 68.868 0.020 0.000 0.863 349 T HN 0.624 nan 8.240 nan 0.000 0.430 350 G N 0.956 109.760 108.800 0.007 0.000 2.476 350 G HA2 -0.212 3.748 3.960 -0.000 0.000 0.218 350 G HA3 -0.212 3.748 3.960 -0.000 0.000 0.218 350 G C 1.729 176.183 174.900 -0.743 0.000 1.164 350 G CA 1.066 46.127 45.100 -0.065 0.000 0.768 350 G HN 0.435 nan 8.290 nan 0.000 0.560 351 V N 1.532 120.919 119.914 -0.879 0.000 2.255 351 V HA -0.175 3.945 4.120 -0.000 0.000 0.247 351 V C 2.837 178.725 176.094 -0.343 0.000 1.051 351 V CA 1.446 63.282 62.300 -0.772 0.000 1.018 351 V CB -0.370 31.220 31.823 -0.388 0.000 0.641 351 V HN 0.292 nan 8.190 nan 0.000 0.445 352 I N 1.228 121.685 120.570 -0.188 0.000 2.264 352 I HA -0.206 3.964 4.170 -0.000 0.000 0.248 352 I C 2.629 178.727 176.117 -0.031 0.000 1.111 352 I CA 2.370 63.634 61.300 -0.061 0.000 1.382 352 I CB -1.481 36.494 38.000 -0.043 0.000 1.060 352 I HN 0.566 nan 8.210 nan 0.000 0.418 353 S N -0.323 115.336 115.700 -0.069 0.000 2.446 353 S HA -0.064 4.406 4.470 -0.000 0.000 0.225 353 S C 1.674 176.259 174.600 -0.025 0.000 1.016 353 S CA 0.978 59.165 58.200 -0.021 0.000 0.943 353 S CB -0.721 62.475 63.200 -0.005 0.000 0.786 353 S HN 0.579 nan 8.310 nan 0.000 0.508 354 T N 0.347 114.843 114.554 -0.097 0.000 3.092 354 T HA 0.468 4.818 4.350 -0.000 0.000 0.258 354 T C 0.249 174.923 174.700 -0.043 0.000 1.031 354 T CA -0.669 61.399 62.100 -0.054 0.000 0.925 354 T CB -0.695 68.159 68.868 -0.024 0.000 1.036 354 T HN 0.382 nan 8.240 nan 0.000 0.544 355 L N 0.064 121.263 121.223 -0.040 0.000 2.350 355 L HA 0.614 4.954 4.340 -0.000 0.000 0.275 355 L C -0.354 176.531 176.870 0.025 0.000 1.099 355 L CA -0.691 54.151 54.840 0.002 0.000 0.808 355 L CB 0.395 42.475 42.059 0.035 0.000 1.149 355 L HN 0.002 nan 8.230 nan 0.000 0.442 356 Q N 4.003 123.811 119.800 0.014 0.000 2.314 356 Q HA 0.577 4.917 4.340 -0.000 0.000 0.259 356 Q C -0.482 175.489 176.000 -0.048 0.000 0.951 356 Q CA -0.542 55.255 55.803 -0.010 0.000 0.909 356 Q CB 2.176 30.911 28.738 -0.004 0.000 1.236 356 Q HN 0.821 nan 8.270 nan 0.000 0.444 357 I N -1.163 119.337 120.570 -0.117 0.000 2.612 357 I HA 0.405 4.575 4.170 -0.000 0.000 0.295 357 I C 0.130 176.130 176.117 -0.196 0.000 1.011 357 I CA -0.410 60.744 61.300 -0.244 0.000 1.326 357 I CB 1.621 39.315 38.000 -0.510 0.000 1.427 357 I HN 0.343 nan 8.210 nan 0.000 0.537 358 S N 4.018 119.599 115.700 -0.198 0.000 2.790 358 S HA 0.272 4.742 4.470 -0.000 0.000 0.202 358 S C 0.920 175.397 174.600 -0.205 0.000 1.383 358 S CA -0.753 57.363 58.200 -0.141 0.000 1.026 358 S CB -0.123 63.042 63.200 -0.058 0.000 1.253 358 S HN 0.771 nan 8.310 nan 0.000 0.489 359 K N 1.790 122.060 120.400 -0.218 0.000 2.144 359 K HA -0.251 4.069 4.320 -0.000 0.000 0.209 359 K C 1.868 178.357 176.600 -0.184 0.000 1.047 359 K CA 1.976 58.129 56.287 -0.224 0.000 0.927 359 K CB -0.106 32.300 32.500 -0.157 0.000 0.716 359 K HN 0.739 nan 8.250 nan 0.000 0.454 360 E N 1.429 121.552 120.200 -0.128 0.000 2.023 360 E HA -0.224 4.126 4.350 -0.000 0.000 0.196 360 E C 1.630 178.169 176.600 -0.101 0.000 1.003 360 E CA 1.639 57.982 56.400 -0.095 0.000 0.809 360 E CB -0.083 29.581 29.700 -0.060 0.000 0.755 360 E HN 0.402 nan 8.360 nan 0.000 0.449 361 N N -0.356 118.296 118.700 -0.080 0.000 2.244 361 N HA -0.120 4.620 4.740 -0.000 0.000 0.183 361 N C 2.019 177.461 175.510 -0.115 0.000 1.016 361 N CA 0.975 54.011 53.050 -0.023 0.000 0.866 361 N CB -0.082 38.459 38.487 0.091 0.000 0.980 361 N HN 0.253 nan 8.380 nan 0.000 0.430 362 M N 0.646 120.041 119.600 -0.343 0.000 2.159 362 M HA -0.156 4.324 4.480 -0.000 0.000 0.263 362 M C 2.188 178.230 176.300 -0.431 0.000 1.063 362 M CA 1.370 56.265 55.300 -0.674 0.000 1.110 362 M CB -0.092 32.073 32.600 -0.725 0.000 1.374 362 M HN 0.180 nan 8.290 nan 0.000 0.411 363 E N 0.507 120.533 120.200 -0.291 0.000 2.216 363 E HA -0.171 4.179 4.350 -0.000 0.000 0.192 363 E C 1.857 178.319 176.600 -0.230 0.000 0.988 363 E CA 0.734 56.980 56.400 -0.256 0.000 0.834 363 E CB 0.169 29.768 29.700 -0.169 0.000 0.772 363 E HN 0.326 nan 8.360 nan 0.000 0.479 364 K N -0.124 120.185 120.400 -0.152 0.000 2.439 364 K HA 0.013 4.333 4.320 -0.000 0.000 0.197 364 K C 1.554 178.096 176.600 -0.097 0.000 1.041 364 K CA 0.704 56.931 56.287 -0.099 0.000 0.970 364 K CB 0.094 32.564 32.500 -0.051 0.000 0.773 364 K HN 0.102 nan 8.250 nan 0.000 0.479 365 A N 0.535 123.287 122.820 -0.114 0.000 2.123 365 A HA 0.085 4.405 4.320 -0.000 0.000 0.214 365 A C 0.255 177.739 177.584 -0.167 0.000 1.152 365 A CA 0.140 52.141 52.037 -0.059 0.000 0.728 365 A CB 0.047 19.107 19.000 0.099 0.000 0.814 365 A HN 0.138 nan 8.150 nan 0.000 0.464 366 L N 1.963 122.977 121.223 -0.347 0.000 2.361 366 L HA 0.326 4.666 4.340 -0.000 0.000 0.278 366 L C 0.795 177.457 176.870 -0.347 0.000 1.113 366 L CA 0.613 55.084 54.840 -0.615 0.000 0.849 366 L CB 0.399 41.591 42.059 -1.446 0.000 1.155 366 L HN 0.383 nan 8.230 nan 0.000 0.452 367 T N 0.704 115.231 114.554 -0.044 0.000 2.924 367 T HA 0.542 4.892 4.350 -0.000 0.000 0.291 367 T C -2.119 172.800 174.700 0.364 0.000 1.045 367 T CA -1.922 60.278 62.100 0.166 0.000 1.015 367 T CB 1.955 70.866 68.868 0.072 0.000 1.103 367 T HN 0.261 nan 8.240 nan 0.000 0.496 368 P HA -0.120 nan 4.420 nan 0.000 0.216 368 P C 1.517 178.937 177.300 0.200 0.000 1.150 368 P CA 1.005 64.244 63.100 0.232 0.000 0.837 368 P CB 0.109 31.868 31.700 0.098 0.000 0.786 369 E N 0.116 120.403 120.200 0.144 0.000 2.136 369 E HA -0.259 4.091 4.350 -0.000 0.000 0.202 369 E C 1.555 178.231 176.600 0.126 0.000 1.019 369 E CA 1.758 58.225 56.400 0.111 0.000 0.819 369 E CB -0.581 29.165 29.700 0.077 0.000 0.739 369 E HN 0.210 nan 8.360 nan 0.000 0.458 370 M N 0.232 119.924 119.600 0.154 0.000 2.632 370 M HA -0.037 4.442 4.480 -0.000 0.000 0.256 370 M C 1.340 177.739 176.300 0.165 0.000 1.080 370 M CA 0.651 56.040 55.300 0.150 0.000 1.084 370 M CB 0.168 32.863 32.600 0.158 0.000 1.439 370 M HN 0.141 nan 8.290 nan 0.000 0.509 371 L N -0.853 120.469 121.223 0.164 0.000 2.700 371 L HA 0.280 4.620 4.340 -0.000 0.000 0.234 371 L C 2.246 179.164 176.870 0.080 0.000 1.156 371 L CA -0.425 54.471 54.840 0.093 0.000 0.946 371 L CB -0.472 41.596 42.059 0.014 0.000 1.216 371 L HN 0.182 nan 8.230 nan 0.000 0.493 372 A N 0.385 123.276 122.820 0.118 0.000 1.902 372 A HA -0.168 4.152 4.320 -0.000 0.000 0.217 372 A C 2.323 179.985 177.584 0.131 0.000 1.181 372 A CA 2.370 54.482 52.037 0.125 0.000 0.623 372 A CB -0.584 18.487 19.000 0.119 0.000 0.818 372 A HN 0.341 nan 8.150 nan 0.000 0.443 373 T N 0.243 114.880 114.554 0.139 0.000 2.821 373 T HA -0.099 4.251 4.350 -0.000 0.000 0.267 373 T C 1.385 176.169 174.700 0.139 0.000 1.046 373 T CA 1.372 63.582 62.100 0.183 0.000 1.139 373 T CB -0.373 68.608 68.868 0.188 0.000 0.871 373 T HN 0.460 nan 8.240 nan 0.000 0.454 374 D N 1.015 121.468 120.400 0.087 0.000 2.178 374 D HA -0.029 4.611 4.640 -0.000 0.000 0.201 374 D C 2.001 178.313 176.300 0.021 0.000 0.980 374 D CA 0.467 54.488 54.000 0.035 0.000 0.842 374 D CB -0.346 40.441 40.800 -0.021 0.000 0.948 374 D HN 0.193 nan 8.370 nan 0.000 0.472 375 L N 1.099 122.329 121.223 0.011 0.000 2.017 375 L HA -0.085 4.255 4.340 -0.000 0.000 0.208 375 L C 2.193 179.164 176.870 0.167 0.000 1.073 375 L CA 1.649 56.523 54.840 0.057 0.000 0.745 375 L CB -0.769 41.331 42.059 0.069 0.000 0.894 375 L HN -0.029 nan 8.230 nan 0.000 0.432 376 A N -0.874 122.008 122.820 0.104 0.000 1.933 376 A HA -0.152 4.168 4.320 -0.000 0.000 0.218 376 A C 2.244 179.792 177.584 -0.060 0.000 1.175 376 A CA 1.770 53.794 52.037 -0.021 0.000 0.628 376 A CB -0.824 18.086 19.000 -0.149 0.000 0.814 376 A HN 0.492 nan 8.150 nan 0.000 0.444 377 L N -1.997 119.231 121.223 0.008 0.000 2.141 377 L HA -0.173 4.167 4.340 -0.000 0.000 0.209 377 L C 2.513 179.375 176.870 -0.012 0.000 1.094 377 L CA 1.450 56.285 54.840 -0.009 0.000 0.763 377 L CB -0.625 41.438 42.059 0.006 0.000 0.908 377 L HN 0.616 nan 8.230 nan 0.000 0.437 378 Y N 0.980 121.239 120.300 -0.068 0.000 2.097 378 Y HA -0.303 4.247 4.550 -0.000 0.000 0.282 378 Y C 2.239 178.082 175.900 -0.096 0.000 1.152 378 Y CA 1.726 59.788 58.100 -0.063 0.000 1.136 378 Y CB -0.197 38.259 38.460 -0.007 0.000 0.975 378 Y HN -0.030 nan 8.280 nan 0.000 0.498 379 L N -0.615 120.528 121.223 -0.132 0.000 2.046 379 L HA -0.187 4.153 4.340 -0.000 0.000 0.208 379 L C 2.525 179.243 176.870 -0.253 0.000 1.077 379 L CA 1.347 56.015 54.840 -0.286 0.000 0.747 379 L CB -1.299 40.610 42.059 -0.250 0.000 0.896 379 L HN 0.141 nan 8.230 nan 0.000 0.432 380 V N -0.260 119.548 119.914 -0.178 0.000 2.380 380 V HA -0.310 3.810 4.120 -0.000 0.000 0.251 380 V C 2.407 178.416 176.094 -0.143 0.000 1.063 380 V CA 1.667 63.889 62.300 -0.130 0.000 1.055 380 V CB -0.727 31.051 31.823 -0.076 0.000 0.657 380 V HN 0.453 nan 8.190 nan 0.000 0.455 381 R N -0.007 120.379 120.500 -0.189 0.000 2.323 381 R HA 0.026 4.366 4.340 -0.000 0.000 0.198 381 R C 0.997 177.171 176.300 -0.211 0.000 0.988 381 R CA 0.421 56.410 56.100 -0.185 0.000 1.041 381 R CB -0.090 30.093 30.300 -0.195 0.000 0.926 381 R HN 0.483 nan 8.270 nan 0.000 0.476 382 K N -0.434 119.822 120.400 -0.241 0.000 2.758 382 K HA 0.175 4.495 4.320 -0.000 0.000 0.208 382 K C 0.483 176.989 176.600 -0.157 0.000 1.091 382 K CA 0.205 56.360 56.287 -0.220 0.000 1.059 382 K CB 1.472 33.791 32.500 -0.303 0.000 0.801 382 K HN 0.208 nan 8.250 nan 0.000 0.470 383 G N 0.653 109.378 108.800 -0.125 0.000 2.257 383 G HA2 -0.289 3.671 3.960 -0.000 0.000 0.267 383 G HA3 -0.289 3.671 3.960 -0.000 0.000 0.267 383 G C 0.371 175.219 174.900 -0.086 0.000 0.984 383 G CA 0.305 45.351 45.100 -0.090 0.000 0.626 383 G HN 0.198 nan 8.290 nan 0.000 0.540 384 V N 2.754 122.599 119.914 -0.115 0.000 2.540 384 V HA 0.275 4.395 4.120 -0.000 0.000 0.297 384 V C -0.769 175.280 176.094 -0.075 0.000 1.024 384 V CA -0.610 61.625 62.300 -0.109 0.000 1.105 384 V CB 0.716 32.444 31.823 -0.158 0.000 0.938 384 V HN 0.194 nan 8.190 nan 0.000 0.482 385 P HA -0.022 nan 4.420 nan 0.000 0.271 385 P C 0.565 177.881 177.300 0.027 0.000 1.233 385 P CA -0.130 62.976 63.100 0.010 0.000 0.795 385 P CB 0.372 32.081 31.700 0.014 0.000 0.936 386 F N 2.020 121.942 119.950 -0.046 0.000 2.051 386 F HA -0.194 4.333 4.527 -0.000 0.000 0.296 386 F C 2.381 178.186 175.800 0.008 0.000 1.122 386 F CA 1.764 59.745 58.000 -0.031 0.000 1.201 386 F CB -0.555 38.464 39.000 0.031 0.000 0.978 386 F HN 0.114 nan 8.300 nan 0.000 0.472 387 R N 0.766 121.180 120.500 -0.144 0.000 2.082 387 R HA -0.169 4.171 4.340 -0.000 0.000 0.234 387 R C 2.152 178.350 176.300 -0.170 0.000 1.136 387 R CA 2.094 58.066 56.100 -0.212 0.000 0.935 387 R CB -1.232 29.055 30.300 -0.022 0.000 0.842 387 R HN 0.350 nan 8.270 nan 0.000 0.430 388 Q N 0.179 119.917 119.800 -0.104 0.000 2.181 388 Q HA -0.087 4.253 4.340 -0.000 0.000 0.205 388 Q C 2.029 177.953 176.000 -0.127 0.000 0.980 388 Q CA 1.697 57.447 55.803 -0.088 0.000 0.862 388 Q CB -0.556 28.142 28.738 -0.066 0.000 0.905 388 Q HN 0.480 nan 8.270 nan 0.000 0.429 389 A N 1.443 124.139 122.820 -0.206 0.000 1.841 389 A HA -0.238 4.082 4.320 -0.000 0.000 0.216 389 A C 1.911 179.345 177.584 -0.251 0.000 1.199 389 A CA 1.721 53.596 52.037 -0.269 0.000 0.621 389 A CB -0.961 17.807 19.000 -0.386 0.000 0.835 389 A HN 0.396 nan 8.150 nan 0.000 0.445 390 H N -0.376 118.587 119.070 -0.177 0.000 2.353 390 H HA -0.088 4.468 4.556 -0.000 0.000 0.300 390 H C 2.410 177.694 175.328 -0.073 0.000 1.090 390 H CA 1.827 57.796 56.048 -0.131 0.000 1.327 390 H CB -1.024 28.595 29.762 -0.238 0.000 1.383 390 H HN 0.482 nan 8.280 nan 0.000 0.508 391 T N 1.350 115.913 114.554 0.014 0.000 2.592 391 T HA -0.251 4.099 4.350 -0.000 0.000 0.267 391 T C 2.352 177.076 174.700 0.040 0.000 1.060 391 T CA 1.997 64.103 62.100 0.010 0.000 1.167 391 T CB -0.645 68.211 68.868 -0.019 0.000 0.863 391 T HN 0.507 nan 8.240 nan 0.000 0.431 392 A N 0.867 123.710 122.820 0.038 0.000 1.892 392 A HA -0.159 4.161 4.320 -0.000 0.000 0.218 392 A C 2.591 180.279 177.584 0.173 0.000 1.188 392 A CA 2.473 54.572 52.037 0.104 0.000 0.631 392 A CB -1.273 17.772 19.000 0.075 0.000 0.822 392 A HN 0.474 nan 8.150 nan 0.000 0.447 393 S N -0.748 115.051 115.700 0.165 0.000 2.383 393 S HA -0.072 4.398 4.470 -0.000 0.000 0.229 393 S C 2.024 176.708 174.600 0.140 0.000 1.030 393 S CA 1.795 60.107 58.200 0.187 0.000 1.002 393 S CB -0.742 62.560 63.200 0.171 0.000 0.829 393 S HN 0.760 nan 8.310 nan 0.000 0.467 394 G N 1.164 110.030 108.800 0.110 0.000 2.440 394 G HA2 -0.204 3.756 3.960 -0.000 0.000 0.218 394 G HA3 -0.204 3.756 3.960 -0.000 0.000 0.218 394 G C 1.516 176.473 174.900 0.095 0.000 1.154 394 G CA 0.859 46.009 45.100 0.083 0.000 0.767 394 G HN 0.560 nan 8.290 nan 0.000 0.552 395 K N 0.685 121.143 120.400 0.098 0.000 2.032 395 K HA -0.020 4.300 4.320 -0.000 0.000 0.209 395 K C 2.977 179.655 176.600 0.129 0.000 1.048 395 K CA 1.030 57.387 56.287 0.117 0.000 0.927 395 K CB -0.323 32.240 32.500 0.106 0.000 0.712 395 K HN 0.262 nan 8.250 nan 0.000 0.441 396 A N 1.286 124.170 122.820 0.107 0.000 1.884 396 A HA -0.193 4.127 4.320 -0.000 0.000 0.219 396 A C 2.416 180.035 177.584 0.058 0.000 1.197 396 A CA 2.018 54.091 52.037 0.060 0.000 0.637 396 A CB -0.990 18.042 19.000 0.053 0.000 0.827 396 A HN 0.107 nan 8.150 nan 0.000 0.450 397 V N -0.736 119.231 119.914 0.088 0.000 2.594 397 V HA -0.259 3.861 4.120 -0.000 0.000 0.253 397 V C 2.407 178.561 176.094 0.099 0.000 1.069 397 V CA 2.539 64.889 62.300 0.083 0.000 1.082 397 V CB -0.998 30.881 31.823 0.094 0.000 0.680 397 V HN 0.820 nan 8.190 nan 0.000 0.469 398 H N -0.449 118.630 119.070 0.015 0.000 2.384 398 H HA -0.021 4.535 4.556 -0.000 0.000 0.300 398 H C 1.851 177.178 175.328 -0.001 0.000 1.057 398 H CA 1.405 57.458 56.048 0.009 0.000 1.370 398 H CB -0.087 29.683 29.762 0.014 0.000 1.417 398 H HN 0.267 nan 8.280 nan 0.000 0.527 399 L N 0.252 121.483 121.223 0.013 0.000 2.187 399 L HA -0.069 4.271 4.340 -0.000 0.000 0.213 399 L C 2.041 178.854 176.870 -0.095 0.000 1.100 399 L CA 1.996 56.803 54.840 -0.056 0.000 0.765 399 L CB -0.847 41.205 42.059 -0.013 0.000 0.904 399 L HN 0.368 nan 8.230 nan 0.000 0.437 400 A N -1.899 120.875 122.820 -0.076 0.000 2.063 400 A HA 0.024 4.344 4.320 -0.000 0.000 0.211 400 A C 2.181 179.713 177.584 -0.087 0.000 1.177 400 A CA 0.503 52.491 52.037 -0.081 0.000 0.759 400 A CB -0.394 18.563 19.000 -0.071 0.000 0.857 400 A HN 0.394 nan 8.150 nan 0.000 0.468 401 E N 0.318 120.463 120.200 -0.093 0.000 2.204 401 E HA -0.109 4.241 4.350 -0.000 0.000 0.194 401 E C 1.598 178.101 176.600 -0.161 0.000 0.989 401 E CA 1.491 57.839 56.400 -0.088 0.000 0.824 401 E CB -0.133 29.554 29.700 -0.022 0.000 0.756 401 E HN 0.505 nan 8.360 nan 0.000 0.477 402 T N 0.909 115.303 114.554 -0.267 0.000 2.904 402 T HA -0.030 4.320 4.350 -0.000 0.000 0.267 402 T C 1.019 175.637 174.700 -0.138 0.000 1.059 402 T CA 0.769 62.715 62.100 -0.257 0.000 1.137 402 T CB 0.316 68.999 68.868 -0.309 0.000 0.879 402 T HN -0.065 nan 8.240 nan 0.000 0.467 403 K N 0.353 120.685 120.400 -0.114 0.000 2.502 403 K HA 0.551 4.871 4.320 -0.000 0.000 0.256 403 K C 0.766 177.325 176.600 -0.068 0.000 1.053 403 K CA -0.580 55.659 56.287 -0.081 0.000 1.002 403 K CB 0.243 32.698 32.500 -0.076 0.000 1.384 403 K HN 0.090 nan 8.250 nan 0.000 0.537 404 G N 1.321 110.086 108.800 -0.058 0.000 4.294 404 G HA2 0.421 4.381 3.960 -0.000 0.000 0.301 404 G HA3 0.421 4.381 3.960 -0.000 0.000 0.301 404 G C 0.071 174.938 174.900 -0.054 0.000 1.321 404 G CA -0.192 44.878 45.100 -0.050 0.000 1.190 404 G HN 0.417 nan 8.290 nan 0.000 0.600 405 I N -2.928 117.604 120.570 -0.064 0.000 3.006 405 I HA 0.678 4.848 4.170 -0.000 0.000 0.306 405 I C -0.031 176.037 176.117 -0.081 0.000 1.250 405 I CA -1.161 60.095 61.300 -0.075 0.000 0.996 405 I CB 1.980 39.926 38.000 -0.090 0.000 1.261 405 I HN 0.013 nan 8.210 nan 0.000 0.442 406 T N 0.440 114.938 114.554 -0.092 0.000 2.849 406 T HA 0.383 4.733 4.350 -0.000 0.000 0.284 406 T C 1.409 176.012 174.700 -0.161 0.000 1.004 406 T CA -0.401 61.643 62.100 -0.094 0.000 1.021 406 T CB 1.339 70.161 68.868 -0.076 0.000 1.013 406 T HN 0.791 nan 8.240 nan 0.000 0.527 407 I N -0.154 120.331 120.570 -0.143 0.000 2.800 407 I HA -0.138 4.032 4.170 -0.000 0.000 0.266 407 I C 1.664 177.408 176.117 -0.622 0.000 1.249 407 I CA 1.166 62.342 61.300 -0.207 0.000 1.458 407 I CB -0.755 37.244 38.000 -0.002 0.000 1.093 407 I HN 0.657 nan 8.210 nan 0.000 0.466 408 N N 0.881 119.116 118.700 -0.775 0.000 2.422 408 N HA -0.091 4.649 4.740 -0.000 0.000 0.181 408 N C 0.959 176.051 175.510 -0.697 0.000 1.080 408 N CA 0.422 52.673 53.050 -1.331 0.000 0.893 408 N CB -0.642 37.328 38.487 -0.861 0.000 0.973 408 N HN 0.462 nan 8.380 nan 0.000 0.456 409 N N 0.687 119.135 118.700 -0.420 0.000 2.373 409 N HA 0.144 4.884 4.740 -0.000 0.000 0.181 409 N C 0.304 175.673 175.510 -0.234 0.000 1.082 409 N CA -0.053 52.839 53.050 -0.265 0.000 0.885 409 N CB 0.664 39.044 38.487 -0.177 0.000 0.977 409 N HN 0.269 nan 8.380 nan 0.000 0.462 410 L N 1.800 122.859 121.223 -0.274 0.000 2.485 410 L HA 0.005 4.345 4.340 -0.000 0.000 0.275 410 L C 1.071 177.827 176.870 -0.191 0.000 1.207 410 L CA -0.070 54.645 54.840 -0.208 0.000 0.855 410 L CB 0.277 42.207 42.059 -0.215 0.000 1.114 410 L HN 0.091 nan 8.230 nan 0.000 0.485 411 S N 2.102 117.720 115.700 -0.136 0.000 2.672 411 S HA 0.216 4.686 4.470 -0.000 0.000 0.276 411 S C 0.728 175.268 174.600 -0.101 0.000 1.207 411 S CA -0.883 57.253 58.200 -0.106 0.000 1.002 411 S CB 1.504 64.659 63.200 -0.075 0.000 0.998 411 S HN 0.548 nan 8.310 nan 0.000 0.542 412 L N 0.759 121.939 121.223 -0.072 0.000 2.129 412 L HA -0.057 4.283 4.340 -0.000 0.000 0.212 412 L C 2.441 179.292 176.870 -0.032 0.000 1.087 412 L CA 2.264 57.073 54.840 -0.052 0.000 0.757 412 L CB -1.212 40.838 42.059 -0.015 0.000 0.896 412 L HN 0.988 nan 8.230 nan 0.000 0.434 413 E N -0.073 120.109 120.200 -0.030 0.000 2.051 413 E HA -0.229 4.121 4.350 -0.000 0.000 0.192 413 E C 1.716 178.304 176.600 -0.020 0.000 0.991 413 E CA 1.963 58.354 56.400 -0.015 0.000 0.799 413 E CB -0.281 29.409 29.700 -0.018 0.000 0.748 413 E HN 0.627 nan 8.360 nan 0.000 0.449 414 D N -0.048 120.322 120.400 -0.049 0.000 2.078 414 D HA -0.152 4.488 4.640 -0.000 0.000 0.193 414 D C 2.010 178.275 176.300 -0.058 0.000 0.990 414 D CA 1.609 55.576 54.000 -0.055 0.000 0.827 414 D CB -0.255 40.495 40.800 -0.084 0.000 0.975 414 D HN 0.188 nan 8.370 nan 0.000 0.451 415 L N 0.451 121.591 121.223 -0.139 0.000 2.079 415 L HA -0.201 4.139 4.340 -0.000 0.000 0.210 415 L C 2.206 179.133 176.870 0.095 0.000 1.081 415 L CA 1.255 55.949 54.840 -0.242 0.000 0.752 415 L CB -0.449 41.184 42.059 -0.711 0.000 0.896 415 L HN 0.038 nan 8.230 nan 0.000 0.433 416 K N 0.085 120.549 120.400 0.107 0.000 2.209 416 K HA -0.127 4.193 4.320 -0.000 0.000 0.204 416 K C 2.017 178.694 176.600 0.128 0.000 1.048 416 K CA 1.569 57.956 56.287 0.166 0.000 0.940 416 K CB -0.174 32.386 32.500 0.101 0.000 0.729 416 K HN 0.379 nan 8.250 nan 0.000 0.451 417 S N 0.030 115.781 115.700 0.085 0.000 2.720 417 S HA 0.069 4.539 4.470 -0.000 0.000 0.222 417 S C 1.358 176.012 174.600 0.089 0.000 0.958 417 S CA 0.359 58.599 58.200 0.067 0.000 0.943 417 S CB -0.256 62.967 63.200 0.039 0.000 0.779 417 S HN 0.227 nan 8.310 nan 0.000 0.526 418 I N -0.361 120.297 120.570 0.148 0.000 4.624 418 I HA 0.280 4.450 4.170 -0.000 0.000 0.327 418 I C 0.365 176.603 176.117 0.202 0.000 1.295 418 I CA -0.006 61.401 61.300 0.178 0.000 1.267 418 I CB 1.042 39.175 38.000 0.221 0.000 1.249 418 I HN 0.313 nan 8.210 nan 0.000 0.440 419 S N 0.611 116.459 115.700 0.247 0.000 2.561 419 S HA 0.276 4.746 4.470 -0.000 0.000 0.292 419 S C -2.491 172.174 174.600 0.108 0.000 1.107 419 S CA -0.581 57.675 58.200 0.093 0.000 0.969 419 S CB 1.186 64.289 63.200 -0.161 0.000 1.150 419 S HN -0.203 nan 8.310 nan 0.000 0.451 420 P HA -0.024 nan 4.420 nan 0.000 0.231 420 P C 1.155 178.475 177.300 0.032 0.000 1.158 420 P CA 0.561 63.695 63.100 0.056 0.000 0.763 420 P CB 0.190 31.906 31.700 0.027 0.000 0.805 421 Q N -1.566 118.199 119.800 -0.058 0.000 2.378 421 Q HA 0.016 4.356 4.340 -0.000 0.000 0.205 421 Q C 0.291 176.306 176.000 0.026 0.000 0.954 421 Q CA 0.575 56.319 55.803 -0.099 0.000 0.901 421 Q CB -0.331 28.265 28.738 -0.237 0.000 0.981 421 Q HN 0.331 nan 8.270 nan 0.000 0.483 422 F N 1.037 121.087 119.950 0.167 0.000 2.502 422 F HA 0.080 4.607 4.527 -0.000 0.000 0.371 422 F C 1.087 176.965 175.800 0.129 0.000 1.083 422 F CA -0.125 57.989 58.000 0.191 0.000 1.174 422 F CB 0.454 39.491 39.000 0.062 0.000 1.096 422 F HN -0.244 nan 8.300 nan 0.000 0.545 423 S N 1.345 117.271 115.700 0.377 0.000 2.758 423 S HA 0.315 4.785 4.470 -0.000 0.000 0.292 423 S C 1.255 175.936 174.600 0.134 0.000 1.131 423 S CA -0.108 58.225 58.200 0.221 0.000 0.997 423 S CB 1.067 64.401 63.200 0.223 0.000 1.111 423 S HN 0.643 nan 8.310 nan 0.000 0.552 424 S N 0.746 116.498 115.700 0.087 0.000 2.447 424 S HA -0.119 4.351 4.470 -0.000 0.000 0.233 424 S C 1.129 175.750 174.600 0.034 0.000 1.006 424 S CA 1.309 59.535 58.200 0.043 0.000 0.957 424 S CB -0.776 62.444 63.200 0.034 0.000 0.773 424 S HN 0.853 nan 8.310 nan 0.000 0.507 425 D N 1.576 122.017 120.400 0.070 0.000 2.348 425 D HA -0.019 4.621 4.640 -0.000 0.000 0.216 425 D C 1.703 178.000 176.300 -0.004 0.000 0.970 425 D CA 0.544 54.585 54.000 0.068 0.000 0.889 425 D CB -0.795 40.085 40.800 0.132 0.000 0.912 425 D HN 0.354 nan 8.370 nan 0.000 0.524 426 V N 1.347 121.176 119.914 -0.143 0.000 2.660 426 V HA -0.282 3.838 4.120 -0.000 0.000 0.257 426 V C 2.277 178.210 176.094 -0.269 0.000 1.088 426 V CA 2.506 64.498 62.300 -0.513 0.000 1.106 426 V CB -0.877 30.633 31.823 -0.522 0.000 0.686 426 V HN 0.466 nan 8.190 nan 0.000 0.481 427 S N -0.814 114.850 115.700 -0.061 0.000 2.442 427 S HA -0.274 4.196 4.470 -0.000 0.000 0.236 427 S C 1.723 176.335 174.600 0.020 0.000 1.007 427 S CA 1.573 59.821 58.200 0.079 0.000 0.965 427 S CB -0.527 62.704 63.200 0.051 0.000 0.773 427 S HN 0.805 nan 8.310 nan 0.000 0.504 428 Q N 0.404 120.169 119.800 -0.057 0.000 2.436 428 Q HA 0.079 4.419 4.340 -0.000 0.000 0.209 428 Q C 1.998 177.909 176.000 -0.149 0.000 0.965 428 Q CA 0.801 56.567 55.803 -0.061 0.000 0.910 428 Q CB -0.304 28.422 28.738 -0.020 0.000 0.980 428 Q HN 0.517 nan 8.270 nan 0.000 0.491 429 V N 0.164 119.890 119.914 -0.314 0.000 2.307 429 V HA -0.188 3.932 4.120 -0.000 0.000 0.245 429 V C 0.975 176.728 176.094 -0.568 0.000 1.045 429 V CA 1.370 63.370 62.300 -0.501 0.000 1.024 429 V CB -0.341 30.976 31.823 -0.843 0.000 0.651 429 V HN 0.290 nan 8.190 nan 0.000 0.449 430 F N 1.964 121.794 119.950 -0.201 0.000 2.625 430 F HA 0.245 4.772 4.527 -0.000 0.000 0.373 430 F C 0.703 176.284 175.800 -0.364 0.000 1.158 430 F CA 0.269 58.094 58.000 -0.292 0.000 1.354 430 F CB -0.691 38.176 39.000 -0.221 0.000 1.692 430 F HN 0.145 nan 8.300 nan 0.000 0.634 431 N N 0.662 119.165 118.700 -0.328 0.000 2.519 431 N HA 0.103 4.843 4.740 -0.000 0.000 0.291 431 N C 0.216 175.546 175.510 -0.301 0.000 1.107 431 N CA -0.434 52.452 53.050 -0.272 0.000 0.904 431 N CB 0.607 39.034 38.487 -0.100 0.000 1.500 431 N HN 0.122 nan 8.380 nan 0.000 0.510 432 F N 1.678 121.650 119.950 0.037 0.000 2.269 432 F HA -0.096 4.431 4.527 -0.000 0.000 0.301 432 F C 2.269 178.089 175.800 0.034 0.000 1.082 432 F CA 0.576 58.595 58.000 0.032 0.000 1.360 432 F CB 0.078 39.089 39.000 0.019 0.000 1.041 432 F HN 0.306 nan 8.300 nan 0.000 0.512 433 V N 0.453 120.462 119.914 0.159 0.000 2.295 433 V HA -0.284 3.836 4.120 -0.000 0.000 0.246 433 V C 2.123 178.266 176.094 0.082 0.000 1.049 433 V CA 1.927 64.293 62.300 0.111 0.000 1.024 433 V CB -0.567 31.304 31.823 0.079 0.000 0.648 433 V HN 0.368 nan 8.190 nan 0.000 0.447 434 N N -0.185 118.539 118.700 0.039 0.000 2.188 434 N HA -0.142 4.598 4.740 -0.000 0.000 0.184 434 N C 2.139 177.671 175.510 0.036 0.000 1.018 434 N CA 1.623 54.684 53.050 0.018 0.000 0.858 434 N CB -0.389 38.084 38.487 -0.024 0.000 0.989 434 N HN 0.454 nan 8.380 nan 0.000 0.426 435 S N 0.796 116.525 115.700 0.048 0.000 2.353 435 S HA -0.096 4.374 4.470 -0.000 0.000 0.222 435 S C 2.078 176.815 174.600 0.228 0.000 1.035 435 S CA 1.183 59.449 58.200 0.110 0.000 1.025 435 S CB -0.331 62.954 63.200 0.142 0.000 0.902 435 S HN 0.076 nan 8.310 nan 0.000 0.440 436 V N 2.110 122.157 119.914 0.222 0.000 2.594 436 V HA -0.041 4.079 4.120 -0.000 0.000 0.253 436 V C 2.329 178.580 176.094 0.263 0.000 1.069 436 V CA 1.619 64.073 62.300 0.256 0.000 1.082 436 V CB -0.605 31.312 31.823 0.157 0.000 0.680 436 V HN 0.461 nan 8.190 nan 0.000 0.469 437 E N -0.117 120.174 120.200 0.153 0.000 2.511 437 E HA -0.115 4.235 4.350 -0.000 0.000 0.196 437 E C 2.081 178.708 176.600 0.045 0.000 1.066 437 E CA 0.336 56.794 56.400 0.098 0.000 0.871 437 E CB -0.028 29.706 29.700 0.058 0.000 0.863 437 E HN 0.719 nan 8.360 nan 0.000 0.520 438 Q N -0.589 119.206 119.800 -0.010 0.000 2.311 438 Q HA -0.071 4.269 4.340 -0.000 0.000 0.203 438 Q C 0.107 175.914 176.000 -0.321 0.000 0.954 438 Q CA 0.609 56.277 55.803 -0.226 0.000 0.885 438 Q CB -0.023 28.451 28.738 -0.441 0.000 0.963 438 Q HN 0.331 nan 8.270 nan 0.000 0.471 439 Y N 1.127 121.440 120.300 0.022 0.000 2.767 439 Y HA 0.077 4.627 4.550 -0.000 0.000 0.354 439 Y C 1.334 177.243 175.900 0.016 0.000 1.292 439 Y CA 0.025 58.137 58.100 0.020 0.000 1.749 439 Y CB -0.311 38.164 38.460 0.025 0.000 1.841 439 Y HN 0.087 nan 8.280 nan 0.000 0.454 440 T N -2.630 111.965 114.554 0.068 0.000 3.067 440 T HA 0.270 4.620 4.350 -0.000 0.000 0.257 440 T C 1.076 175.803 174.700 0.046 0.000 1.105 440 T CA 0.146 62.276 62.100 0.050 0.000 1.104 440 T CB 0.031 68.909 68.868 0.016 0.000 0.925 440 T HN 0.413 nan 8.240 nan 0.000 0.498 441 A N 2.119 124.969 122.820 0.049 0.000 2.440 441 A HA 0.536 4.856 4.320 -0.000 0.000 0.251 441 A C 0.480 178.095 177.584 0.051 0.000 1.089 441 A CA -0.661 51.400 52.037 0.040 0.000 0.779 441 A CB -0.321 18.700 19.000 0.036 0.000 1.022 441 A HN 0.597 nan 8.150 nan 0.000 0.492 442 L N 1.199 122.441 121.223 0.033 0.000 2.742 442 L HA -0.031 4.309 4.340 -0.000 0.000 0.297 442 L C 1.474 178.362 176.870 0.030 0.000 1.238 442 L CA 1.283 56.140 54.840 0.027 0.000 0.895 442 L CB -0.441 41.628 42.059 0.016 0.000 1.166 442 L HN 1.444 nan 8.230 nan 0.000 0.494 443 A N 1.769 124.603 122.820 0.023 0.000 3.663 443 A HA -0.133 4.186 4.320 -0.000 0.000 0.254 443 A C 0.927 178.525 177.584 0.022 0.000 1.037 443 A CA 0.620 52.666 52.037 0.013 0.000 1.450 443 A CB -2.276 nan 19.000 nan 0.000 1.014 443 A HN 1.003 nan 8.150 nan 0.000 0.865 444 G N -1.474 107.361 108.800 0.058 0.000 2.651 444 G HA2 0.429 4.389 3.960 -0.000 0.000 0.260 444 G HA3 0.429 4.389 3.960 -0.000 0.000 0.260 444 G C 0.732 175.665 174.900 0.056 0.000 1.216 444 G CA 0.928 46.082 45.100 0.090 0.000 0.913 444 G HN 0.974 nan 8.290 nan 0.000 0.535 445 T N -0.517 114.058 114.554 0.035 0.000 3.144 445 T HA 0.427 4.777 4.350 -0.000 0.000 0.249 445 T C 1.269 176.019 174.700 0.084 0.000 1.089 445 T CA 0.570 62.683 62.100 0.022 0.000 0.989 445 T CB -0.866 67.970 68.868 -0.054 0.000 0.992 445 T HN 0.816 nan 8.240 nan 0.000 0.540 446 A N 1.078 123.978 122.820 0.133 0.000 2.448 446 A HA 0.301 4.621 4.320 -0.000 0.000 0.239 446 A C 1.630 179.260 177.584 0.076 0.000 1.080 446 A CA -0.087 52.020 52.037 0.118 0.000 0.779 446 A CB 0.138 19.205 19.000 0.111 0.000 1.026 446 A HN 0.525 nan 8.150 nan 0.000 0.499 447 K N 0.736 121.176 120.400 0.067 0.000 2.044 447 K HA -0.205 4.115 4.320 -0.000 0.000 0.210 447 K C 2.205 178.831 176.600 0.043 0.000 1.049 447 K CA 2.246 58.565 56.287 0.053 0.000 0.927 447 K CB -0.255 32.274 32.500 0.049 0.000 0.713 447 K HN 0.887 nan 8.250 nan 0.000 0.443 448 S N 0.002 115.726 115.700 0.041 0.000 2.359 448 S HA -0.137 4.333 4.470 -0.000 0.000 0.224 448 S C 2.101 176.719 174.600 0.031 0.000 1.035 448 S CA 1.717 59.936 58.200 0.032 0.000 1.018 448 S CB -0.480 62.737 63.200 0.029 0.000 0.876 448 S HN 0.291 nan 8.310 nan 0.000 0.448 449 S N 1.500 117.223 115.700 0.038 0.000 2.382 449 S HA -0.036 4.434 4.470 -0.000 0.000 0.228 449 S C 1.977 176.591 174.600 0.023 0.000 1.027 449 S CA 1.246 59.466 58.200 0.033 0.000 0.991 449 S CB -0.678 62.550 63.200 0.048 0.000 0.823 449 S HN 0.435 nan 8.310 nan 0.000 0.469 450 V N 2.376 122.306 119.914 0.026 0.000 2.295 450 V HA -0.195 3.925 4.120 -0.000 0.000 0.246 450 V C 2.903 179.006 176.094 0.014 0.000 1.049 450 V CA 2.106 64.417 62.300 0.017 0.000 1.024 450 V CB -1.622 30.216 31.823 0.026 0.000 0.648 450 V HN 0.760 nan 8.190 nan 0.000 0.447 451 T N -2.774 111.792 114.554 0.020 0.000 2.833 451 T HA -0.219 4.131 4.350 -0.000 0.000 0.269 451 T C 1.775 176.482 174.700 0.012 0.000 1.054 451 T CA 2.011 64.121 62.100 0.017 0.000 1.135 451 T CB -0.748 68.132 68.868 0.020 0.000 0.869 451 T HN 0.454 nan 8.240 nan 0.000 0.466 452 T N 2.169 116.730 114.554 0.012 0.000 2.746 452 T HA -0.102 4.248 4.350 -0.000 0.000 0.267 452 T C 2.180 176.882 174.700 0.003 0.000 1.039 452 T CA 1.512 63.617 62.100 0.009 0.000 1.142 452 T CB -0.364 68.510 68.868 0.010 0.000 0.866 452 T HN 0.545 nan 8.240 nan 0.000 0.444 453 Q N 0.263 120.063 119.800 0.000 0.000 2.050 453 Q HA -0.014 4.326 4.340 -0.000 0.000 0.202 453 Q C 2.401 178.395 176.000 -0.010 0.000 0.980 453 Q CA 1.231 57.028 55.803 -0.009 0.000 0.840 453 Q CB -0.379 28.348 28.738 -0.017 0.000 0.898 453 Q HN 0.502 nan 8.270 nan 0.000 0.424 454 I N 0.968 121.534 120.570 -0.006 0.000 2.208 454 I HA -0.298 3.872 4.170 -0.000 0.000 0.245 454 I C 2.012 178.128 176.117 -0.001 0.000 1.097 454 I CA 1.396 62.694 61.300 -0.004 0.000 1.363 454 I CB -0.279 37.723 38.000 0.003 0.000 1.051 454 I HN 0.278 nan 8.210 nan 0.000 0.413 455 E N 0.311 120.512 120.200 0.002 0.000 2.106 455 E HA -0.245 4.105 4.350 -0.000 0.000 0.192 455 E C 2.198 178.799 176.600 0.001 0.000 0.984 455 E CA 0.966 57.368 56.400 0.003 0.000 0.806 455 E CB -0.103 29.600 29.700 0.005 0.000 0.750 455 E HN 0.581 nan 8.360 nan 0.000 0.458 456 Q N 0.471 120.270 119.800 -0.002 0.000 2.119 456 Q HA -0.088 4.252 4.340 -0.000 0.000 0.201 456 Q C 2.301 178.298 176.000 -0.005 0.000 0.972 456 Q CA 0.885 56.686 55.803 -0.003 0.000 0.847 456 Q CB -0.017 28.718 28.738 -0.005 0.000 0.903 456 Q HN 0.281 nan 8.270 nan 0.000 0.433 457 L N 0.146 121.364 121.223 -0.008 0.000 2.093 457 L HA -0.158 4.182 4.340 -0.000 0.000 0.208 457 L C 2.417 179.285 176.870 -0.004 0.000 1.085 457 L CA 1.057 55.891 54.840 -0.009 0.000 0.755 457 L CB -0.264 41.785 42.059 -0.017 0.000 0.904 457 L HN 0.146 nan 8.230 nan 0.000 0.435 458 R N -0.474 120.025 120.500 -0.001 0.000 2.096 458 R HA -0.135 4.205 4.340 -0.000 0.000 0.235 458 R C 2.199 178.500 176.300 0.002 0.000 1.127 458 R CA 0.850 56.952 56.100 0.002 0.000 0.968 458 R CB -0.149 30.153 30.300 0.004 0.000 0.861 458 R HN 0.295 nan 8.270 nan 0.000 0.440 459 E N 0.742 120.943 120.200 0.001 0.000 2.072 459 E HA -0.144 4.206 4.350 -0.000 0.000 0.191 459 E C 1.987 178.587 176.600 0.001 0.000 0.985 459 E CA 0.643 57.044 56.400 0.001 0.000 0.801 459 E CB -0.163 29.538 29.700 0.001 0.000 0.750 459 E HN 0.146 nan 8.360 nan 0.000 0.452 460 L N 0.607 121.831 121.223 0.001 0.000 2.012 460 L HA -0.160 4.180 4.340 -0.000 0.000 0.210 460 L C 2.308 179.180 176.870 0.004 0.000 1.073 460 L CA 1.598 56.439 54.840 0.002 0.000 0.748 460 L CB -0.854 41.205 42.059 0.001 0.000 0.891 460 L HN 0.217 nan 8.230 nan 0.000 0.431 461 M N -0.750 118.853 119.600 0.004 0.000 2.086 461 M HA -0.269 4.211 4.480 -0.000 0.000 0.261 461 M C 2.216 178.518 176.300 0.004 0.000 1.067 461 M CA 1.781 57.085 55.300 0.007 0.000 1.116 461 M CB -0.382 32.222 32.600 0.008 0.000 1.348 461 M HN 0.147 nan 8.290 nan 0.000 0.407 462 K N 0.740 121.141 120.400 0.003 0.000 2.063 462 K HA -0.258 4.062 4.320 -0.000 0.000 0.208 462 K C 1.989 178.589 176.600 -0.001 0.000 1.048 462 K CA 1.743 58.031 56.287 0.001 0.000 0.928 462 K CB -0.043 32.458 32.500 0.001 0.000 0.713 462 K HN -0.057 nan 8.250 nan 0.000 0.442 463 K N 0.906 121.306 120.400 -0.000 0.000 2.152 463 K HA -0.118 4.202 4.320 -0.000 0.000 0.206 463 K C 1.065 177.662 176.600 -0.004 0.000 1.048 463 K CA 1.309 57.595 56.287 -0.002 0.000 0.933 463 K CB 0.055 32.555 32.500 -0.000 0.000 0.721 463 K HN 0.167 nan 8.250 nan 0.000 0.447 464 Q N 1.441 121.240 119.800 -0.002 0.000 2.336 464 Q HA 0.037 4.377 4.340 -0.000 0.000 0.231 464 Q C -0.585 175.409 176.000 -0.011 0.000 0.900 464 Q CA 0.690 56.491 55.803 -0.004 0.000 0.966 464 Q CB -0.162 28.578 28.738 0.004 0.000 1.219 464 Q HN 0.273 nan 8.270 nan 0.000 0.412 465 K N 0.000 120.392 120.400 -0.013 0.000 2.780 465 K HA 0.000 4.320 4.320 -0.000 0.000 0.191 465 K CA 0.000 56.276 56.287 -0.018 0.000 0.838 465 K CB 0.000 32.492 32.500 -0.014 0.000 1.064 465 K HN 0.000 nan 8.250 nan 0.000 0.543