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 1aos_1_A DATA FIRST_RESID 20 DATA SEQUENCE IMEKFNASIA YDRHLWEVDV QGSKAYSRGL EKAGLLTKAE MDQILHGLDK DATA SEQUENCE VXXXXXXXXX KLNSNDEDIH TANERRLKEL IGATAGKLHT GRSRNDQVVT DATA SEQUENCE DLRLWMRQTC STLSGLLWEL IRTMVDRAEA ERDVLFPGYT HLQRAQPIRW DATA SEQUENCE SHWILSHAVA LTRDSERLLE VRKRINVLPL GSGAIAGNPL GVDRELLRAE DATA SEQUENCE LNFGAITLNS MDATSERDFV AEFLFWRSLC MTHLSRMAED LILYCTKEFS DATA SEQUENCE FVQLSDAYST GSSLMPQKKN PDSLELIRSK AGRVFGRCAG LLMTLKGLPS DATA SEQUENCE TYNKDLQEDK EAVFEVSDTM SAVLQVATGV ISTLQIHQEN MGQALSPDML DATA SEQUENCE ATDLAYYLVR KGMPFRQAHE ASGKAVFMAE TKGVALNQLS LQELQTISPL DATA SEQUENCE FSGDVICVWD YRHSVEQYGA LGGTARSSVD WQIRQVRALL QAQ 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 20 I HA 0.000 nan 4.170 nan 0.000 0.288 20 I C 0.000 176.119 176.117 0.003 0.000 1.063 20 I CA 0.000 61.253 61.300 -0.079 0.000 1.566 20 I CB 0.000 37.931 38.000 -0.115 0.000 1.214 21 M N 1.692 121.379 119.600 0.145 0.000 2.073 21 M HA -0.248 4.233 4.480 0.001 0.000 0.258 21 M C 2.534 178.961 176.300 0.213 0.000 1.070 21 M CA 3.049 58.504 55.300 0.258 0.000 1.103 21 M CB -0.679 32.009 32.600 0.147 0.000 1.321 21 M HN 0.477 nan 8.290 nan 0.000 0.405 22 E N -0.028 120.237 120.200 0.109 0.000 2.107 22 E HA -0.181 4.169 4.350 0.001 0.000 0.191 22 E C 1.818 178.465 176.600 0.077 0.000 0.982 22 E CA 1.437 57.886 56.400 0.082 0.000 0.809 22 E CB -0.540 29.185 29.700 0.042 0.000 0.756 22 E HN 0.322 nan 8.360 nan 0.000 0.459 23 K N -1.154 119.268 120.400 0.037 0.000 2.591 23 K HA 0.219 4.539 4.320 0.001 0.000 0.197 23 K C 0.244 176.844 176.600 -0.001 0.000 1.026 23 K CA 0.003 56.284 56.287 -0.010 0.000 1.127 23 K CB -0.504 31.954 32.500 -0.069 0.000 0.871 23 K HN 0.379 nan 8.250 nan 0.000 0.507 24 F N -1.026 118.941 119.950 0.028 0.000 2.619 24 F HA 0.206 4.733 4.527 0.001 0.000 0.281 24 F C 1.464 177.296 175.800 0.054 0.000 1.065 24 F CA -0.177 57.847 58.000 0.041 0.000 1.304 24 F CB 0.071 39.087 39.000 0.026 0.000 1.059 24 F HN 0.036 nan 8.300 nan 0.000 0.648 25 N N 1.103 119.955 118.700 0.253 0.000 2.309 25 N HA 0.011 4.752 4.740 0.001 0.000 0.182 25 N C 0.616 176.197 175.510 0.119 0.000 1.018 25 N CA 0.752 53.889 53.050 0.145 0.000 0.876 25 N CB -0.375 38.167 38.487 0.092 0.000 0.972 25 N HN 0.089 nan 8.380 nan 0.000 0.434 26 A N 0.338 123.216 122.820 0.096 0.000 2.561 26 A HA 0.101 4.421 4.320 0.001 0.000 0.251 26 A C 1.004 178.567 177.584 -0.036 0.000 1.062 26 A CA 0.323 52.372 52.037 0.021 0.000 0.761 26 A CB 0.088 19.087 19.000 -0.002 0.000 0.986 26 A HN 0.279 nan 8.150 nan 0.000 0.510 27 S N 2.230 117.836 115.700 -0.156 0.000 2.505 27 S HA 0.052 4.523 4.470 0.001 0.000 0.216 27 S C 1.530 175.680 174.600 -0.749 0.000 1.018 27 S CA 0.440 58.357 58.200 -0.472 0.000 0.911 27 S CB -0.240 62.854 63.200 -0.176 0.000 0.818 27 S HN 0.720 nan 8.310 nan 0.000 0.497 28 I N 2.626 122.960 120.570 -0.393 0.000 2.264 28 I HA -0.248 3.922 4.170 0.001 0.000 0.248 28 I C 2.794 178.693 176.117 -0.363 0.000 1.111 28 I CA 1.228 62.335 61.300 -0.322 0.000 1.382 28 I CB -0.651 37.241 38.000 -0.180 0.000 1.060 28 I HN 0.288 nan 8.210 nan 0.000 0.418 29 A N 1.415 124.033 122.820 -0.336 0.000 1.873 29 A HA -0.259 4.061 4.320 0.001 0.000 0.218 29 A C 2.245 179.707 177.584 -0.203 0.000 1.193 29 A CA 2.469 54.384 52.037 -0.203 0.000 0.629 29 A CB -1.159 17.800 19.000 -0.068 0.000 0.826 29 A HN 0.659 nan 8.150 nan 0.000 0.447 30 Y N -0.236 119.978 120.300 -0.145 0.000 2.347 30 Y HA 0.165 4.715 4.550 0.001 0.000 0.294 30 Y C 1.289 176.894 175.900 -0.492 0.000 1.117 30 Y CA 0.232 58.188 58.100 -0.239 0.000 1.184 30 Y CB -0.665 37.747 38.460 -0.081 0.000 1.047 30 Y HN 0.374 nan 8.280 nan 0.000 0.546 31 D N 1.409 121.543 120.400 -0.443 0.000 2.504 31 D HA -0.037 4.604 4.640 0.001 0.000 0.243 31 D C 1.600 177.672 176.300 -0.380 0.000 1.203 31 D CA -0.118 53.708 54.000 -0.290 0.000 0.847 31 D CB -0.280 40.507 40.800 -0.022 0.000 0.973 31 D HN 0.420 nan 8.370 nan 0.000 0.490 32 R N -0.006 120.150 120.500 -0.573 0.000 2.096 32 R HA -0.153 4.187 4.340 0.001 0.000 0.235 32 R C 1.451 177.652 176.300 -0.164 0.000 1.127 32 R CA 1.418 57.302 56.100 -0.360 0.000 0.968 32 R CB -0.398 29.680 30.300 -0.371 0.000 0.861 32 R HN 0.387 nan 8.270 nan 0.000 0.440 33 H N -0.409 118.578 119.070 -0.138 0.000 2.492 33 H HA -0.113 4.443 4.556 0.001 0.000 0.296 33 H C 0.907 175.958 175.328 -0.461 0.000 1.095 33 H CA 0.716 56.571 56.048 -0.322 0.000 1.281 33 H CB 0.082 29.341 29.762 -0.838 0.000 1.374 33 H HN 0.116 nan 8.280 nan 0.000 0.545 34 L N 1.326 122.431 121.223 -0.197 0.000 2.711 34 L HA -0.066 4.274 4.340 0.001 0.000 0.242 34 L C 1.484 178.287 176.870 -0.111 0.000 1.153 34 L CA 0.328 55.062 54.840 -0.177 0.000 0.898 34 L CB -1.785 40.211 42.059 -0.106 0.000 1.044 34 L HN 0.586 nan 8.230 nan 0.000 0.437 35 W N 0.621 121.874 121.300 -0.078 0.000 2.329 35 W HA -0.170 4.491 4.660 0.001 0.000 0.324 35 W C 1.628 178.131 176.519 -0.027 0.000 1.222 35 W CA 1.089 58.397 57.345 -0.063 0.000 1.270 35 W CB -0.827 28.603 29.460 -0.049 0.000 1.167 35 W HN 0.112 nan 8.180 nan 0.000 0.467 36 E N 0.641 120.369 120.200 -0.787 0.000 2.515 36 E HA -0.085 4.266 4.350 0.001 0.000 0.201 36 E C 1.536 178.014 176.600 -0.203 0.000 1.071 36 E CA 0.791 56.941 56.400 -0.417 0.000 0.880 36 E CB 0.150 29.470 29.700 -0.633 0.000 0.828 36 E HN 0.395 nan 8.360 nan 0.000 0.540 37 V N -0.961 118.847 119.914 -0.176 0.000 3.455 37 V HA -0.039 4.082 4.120 0.001 0.000 0.250 37 V C 1.582 177.628 176.094 -0.080 0.000 1.230 37 V CA 0.623 62.870 62.300 -0.089 0.000 1.105 37 V CB 0.295 32.092 31.823 -0.044 0.000 0.850 37 V HN 0.070 nan 8.190 nan 0.000 0.461 38 D N 0.934 121.274 120.400 -0.099 0.000 2.194 38 D HA -0.123 4.518 4.640 0.001 0.000 0.204 38 D C 2.071 178.331 176.300 -0.067 0.000 0.964 38 D CA 1.566 55.488 54.000 -0.129 0.000 0.846 38 D CB 0.297 40.985 40.800 -0.186 0.000 0.962 38 D HN 0.344 nan 8.370 nan 0.000 0.490 39 V N -0.271 119.629 119.914 -0.023 0.000 2.379 39 V HA -0.196 3.924 4.120 0.001 0.000 0.245 39 V C 2.267 178.357 176.094 -0.006 0.000 1.044 39 V CA 1.660 63.958 62.300 -0.003 0.000 1.036 39 V CB -1.289 30.554 31.823 0.033 0.000 0.664 39 V HN 0.321 nan 8.190 nan 0.000 0.453 40 Q N 1.938 121.729 119.800 -0.016 0.000 2.119 40 Q HA 0.005 4.345 4.340 0.001 0.000 0.201 40 Q C 2.187 178.175 176.000 -0.020 0.000 0.972 40 Q CA 2.029 57.819 55.803 -0.021 0.000 0.847 40 Q CB -0.861 27.853 28.738 -0.040 0.000 0.903 40 Q HN 0.547 nan 8.270 nan 0.000 0.433 41 G N 0.233 109.020 108.800 -0.022 0.000 2.484 41 G HA2 -0.135 3.825 3.960 0.001 0.000 0.218 41 G HA3 -0.135 3.825 3.960 0.001 0.000 0.218 41 G C 1.331 176.250 174.900 0.032 0.000 1.130 41 G CA 0.644 45.742 45.100 -0.003 0.000 0.784 41 G HN 0.358 nan 8.290 nan 0.000 0.543 42 S N 0.313 116.027 115.700 0.023 0.000 2.348 42 S HA 0.010 4.480 4.470 0.001 0.000 0.219 42 S C 2.184 176.832 174.600 0.081 0.000 1.033 42 S CA 0.854 59.090 58.200 0.060 0.000 0.974 42 S CB -0.131 63.080 63.200 0.018 0.000 0.868 42 S HN 0.347 nan 8.310 nan 0.000 0.459 43 K N 1.446 121.871 120.400 0.042 0.000 2.228 43 K HA -0.151 4.169 4.320 0.001 0.000 0.205 43 K C 2.080 178.703 176.600 0.039 0.000 1.045 43 K CA 1.313 57.621 56.287 0.035 0.000 0.931 43 K CB -0.244 32.268 32.500 0.019 0.000 0.727 43 K HN 0.351 nan 8.250 nan 0.000 0.458 44 A N 0.106 122.957 122.820 0.053 0.000 1.861 44 A HA -0.124 4.196 4.320 0.001 0.000 0.212 44 A C 1.930 179.569 177.584 0.092 0.000 1.199 44 A CA 0.792 52.861 52.037 0.054 0.000 0.613 44 A CB -0.681 18.348 19.000 0.048 0.000 0.846 44 A HN 0.366 nan 8.150 nan 0.000 0.446 45 Y N 1.248 121.550 120.300 0.004 0.000 2.483 45 Y HA -0.110 4.440 4.550 0.001 0.000 0.291 45 Y C 2.553 178.461 175.900 0.014 0.000 1.143 45 Y CA 1.129 59.236 58.100 0.013 0.000 1.289 45 Y CB -0.108 38.364 38.460 0.019 0.000 0.983 45 Y HN 0.300 nan 8.280 nan 0.000 0.556 46 S N -0.410 115.328 115.700 0.062 0.000 2.357 46 S HA -0.120 4.351 4.470 0.001 0.000 0.221 46 S C 1.916 176.483 174.600 -0.055 0.000 1.031 46 S CA 1.027 59.228 58.200 0.001 0.000 0.982 46 S CB -0.150 63.068 63.200 0.031 0.000 0.853 46 S HN 0.312 nan 8.310 nan 0.000 0.458 47 R N 0.967 121.448 120.500 -0.033 0.000 2.237 47 R HA 0.042 4.382 4.340 0.001 0.000 0.219 47 R C 2.080 178.334 176.300 -0.076 0.000 1.080 47 R CA 0.963 57.039 56.100 -0.040 0.000 0.995 47 R CB -0.682 29.607 30.300 -0.017 0.000 0.875 47 R HN 0.431 nan 8.270 nan 0.000 0.462 48 G N -0.262 108.458 108.800 -0.133 0.000 2.404 48 G HA2 -0.166 3.794 3.960 0.001 0.000 0.213 48 G HA3 -0.166 3.794 3.960 0.001 0.000 0.213 48 G C 1.272 176.034 174.900 -0.230 0.000 1.189 48 G CA 0.234 45.222 45.100 -0.185 0.000 0.796 48 G HN 0.220 nan 8.290 nan 0.000 0.532 49 L N 1.118 122.139 121.223 -0.336 0.000 2.079 49 L HA -0.101 4.239 4.340 0.001 0.000 0.210 49 L C 2.934 179.727 176.870 -0.128 0.000 1.081 49 L CA 1.829 56.518 54.840 -0.252 0.000 0.752 49 L CB -0.384 41.522 42.059 -0.255 0.000 0.896 49 L HN 0.503 nan 8.230 nan 0.000 0.433 50 E N 0.477 120.617 120.200 -0.100 0.000 2.106 50 E HA -0.252 4.098 4.350 0.001 0.000 0.192 50 E C 2.126 178.694 176.600 -0.052 0.000 0.984 50 E CA 1.149 57.514 56.400 -0.059 0.000 0.806 50 E CB -0.287 29.388 29.700 -0.041 0.000 0.750 50 E HN 0.216 nan 8.360 nan 0.000 0.458 51 K N 0.104 120.468 120.400 -0.061 0.000 2.280 51 K HA -0.014 4.306 4.320 0.001 0.000 0.202 51 K C 1.800 178.374 176.600 -0.044 0.000 1.047 51 K CA 1.078 57.338 56.287 -0.046 0.000 0.942 51 K CB -0.148 32.325 32.500 -0.045 0.000 0.739 51 K HN 0.292 nan 8.250 nan 0.000 0.457 52 A N -0.173 122.612 122.820 -0.058 0.000 2.132 52 A HA 0.174 4.494 4.320 0.001 0.000 0.213 52 A C 1.243 178.805 177.584 -0.037 0.000 1.154 52 A CA 0.975 52.983 52.037 -0.048 0.000 0.753 52 A CB 0.002 18.965 19.000 -0.063 0.000 0.826 52 A HN 0.438 nan 8.150 nan 0.000 0.469 53 G N -1.228 107.549 108.800 -0.039 0.000 2.130 53 G HA2 -0.169 3.792 3.960 0.001 0.000 0.216 53 G HA3 -0.169 3.792 3.960 0.001 0.000 0.216 53 G C 0.539 175.423 174.900 -0.027 0.000 0.999 53 G CA 0.269 45.352 45.100 -0.028 0.000 0.686 53 G HN 0.261 nan 8.290 nan 0.000 0.515 54 L N -0.888 120.313 121.223 -0.038 0.000 2.375 54 L HA 0.437 4.778 4.340 0.001 0.000 0.215 54 L C 1.344 178.201 176.870 -0.021 0.000 1.108 54 L CA 1.279 56.100 54.840 -0.030 0.000 0.830 54 L CB -0.471 41.561 42.059 -0.044 0.000 0.959 54 L HN 0.365 nan 8.230 nan 0.000 0.457 55 L N -0.899 120.308 121.223 -0.026 0.000 2.388 55 L HA 0.341 4.681 4.340 0.001 0.000 0.264 55 L C 0.262 177.125 176.870 -0.012 0.000 0.998 55 L CA -0.505 54.327 54.840 -0.013 0.000 0.817 55 L CB 2.219 44.270 42.059 -0.015 0.000 1.338 55 L HN -0.045 nan 8.230 nan 0.000 0.414 56 T N -2.488 112.064 114.554 -0.004 0.000 2.909 56 T HA 0.283 4.634 4.350 0.001 0.000 0.286 56 T C 0.970 175.668 174.700 -0.003 0.000 1.002 56 T CA -0.788 61.309 62.100 -0.004 0.000 1.074 56 T CB 1.486 70.354 68.868 -0.001 0.000 0.984 56 T HN 0.473 nan 8.240 nan 0.000 0.495 57 K N 1.846 122.243 120.400 -0.005 0.000 2.034 57 K HA -0.171 4.150 4.320 0.001 0.000 0.214 57 K C 2.548 179.148 176.600 0.000 0.000 1.051 57 K CA 1.816 58.101 56.287 -0.004 0.000 0.931 57 K CB -1.212 31.285 32.500 -0.005 0.000 0.715 57 K HN 0.856 nan 8.250 nan 0.000 0.446 58 A N 1.964 124.784 122.820 0.001 0.000 1.986 58 A HA -0.231 4.089 4.320 0.001 0.000 0.220 58 A C 1.978 179.568 177.584 0.009 0.000 1.171 58 A CA 2.181 54.220 52.037 0.003 0.000 0.640 58 A CB -0.404 18.597 19.000 0.002 0.000 0.811 58 A HN 0.639 nan 8.150 nan 0.000 0.451 59 E N -1.867 118.340 120.200 0.011 0.000 2.364 59 E HA 0.048 4.398 4.350 0.001 0.000 0.196 59 E C 1.887 178.499 176.600 0.021 0.000 0.990 59 E CA 0.425 56.836 56.400 0.018 0.000 0.886 59 E CB -0.279 29.431 29.700 0.017 0.000 0.866 59 E HN 0.460 nan 8.360 nan 0.000 0.493 60 M N 1.818 121.426 119.600 0.014 0.000 2.156 60 M HA -0.084 4.396 4.480 0.001 0.000 0.264 60 M C 0.596 176.909 176.300 0.022 0.000 1.067 60 M CA 1.524 56.831 55.300 0.012 0.000 1.131 60 M CB -0.254 32.346 32.600 0.000 0.000 1.368 60 M HN 0.031 nan 8.290 nan 0.000 0.416 61 D N -0.154 120.259 120.400 0.021 0.000 2.363 61 D HA -0.089 4.551 4.640 0.001 0.000 0.220 61 D C 1.912 178.243 176.300 0.052 0.000 0.994 61 D CA 0.447 54.465 54.000 0.029 0.000 0.890 61 D CB 0.013 40.820 40.800 0.012 0.000 0.906 61 D HN 0.446 nan 8.370 nan 0.000 0.530 62 Q N 0.448 120.276 119.800 0.048 0.000 2.036 62 Q HA 0.021 4.361 4.340 0.001 0.000 0.195 62 Q C 2.457 178.499 176.000 0.070 0.000 0.971 62 Q CA 0.520 56.361 55.803 0.063 0.000 0.826 62 Q CB 0.183 28.947 28.738 0.044 0.000 0.896 62 Q HN 0.435 nan 8.270 nan 0.000 0.449 63 I N -1.523 119.076 120.570 0.048 0.000 3.111 63 I HA -0.100 4.071 4.170 0.001 0.000 0.272 63 I C 2.093 178.230 176.117 0.034 0.000 1.268 63 I CA 0.373 61.693 61.300 0.034 0.000 1.467 63 I CB -0.312 37.706 38.000 0.029 0.000 1.087 63 I HN 0.010 nan 8.210 nan 0.000 0.467 64 L N 1.008 122.263 121.223 0.053 0.000 2.044 64 L HA -0.177 4.163 4.340 0.001 0.000 0.205 64 L C 2.861 179.781 176.870 0.084 0.000 1.075 64 L CA 1.746 56.620 54.840 0.056 0.000 0.747 64 L CB -0.796 41.295 42.059 0.054 0.000 0.903 64 L HN 0.350 nan 8.230 nan 0.000 0.435 65 H N -1.207 117.867 119.070 0.005 0.000 2.389 65 H HA -0.112 4.445 4.556 0.001 0.000 0.299 65 H C 1.914 177.246 175.328 0.006 0.000 1.081 65 H CA 1.150 57.202 56.048 0.006 0.000 1.345 65 H CB 0.072 29.836 29.762 0.004 0.000 1.393 65 H HN 0.454 nan 8.280 nan 0.000 0.520 66 G N 1.345 110.076 108.800 -0.115 0.000 2.469 66 G HA2 -0.214 3.746 3.960 0.001 0.000 0.219 66 G HA3 -0.214 3.746 3.960 0.001 0.000 0.219 66 G C 1.447 176.255 174.900 -0.153 0.000 1.150 66 G CA 0.583 45.573 45.100 -0.184 0.000 0.763 66 G HN 0.365 nan 8.290 nan 0.000 0.561 67 L N 1.301 122.479 121.223 -0.076 0.000 2.855 67 L HA 0.243 4.583 4.340 0.001 0.000 0.245 67 L C 0.483 177.331 176.870 -0.035 0.000 1.276 67 L CA 0.398 55.212 54.840 -0.045 0.000 1.118 67 L CB -0.036 42.013 42.059 -0.016 0.000 1.444 67 L HN 0.487 nan 8.230 nan 0.000 0.440 68 D N -4.407 115.940 120.400 -0.089 0.000 2.672 68 D HA -0.037 4.603 4.640 0.001 0.000 0.321 68 D C 1.018 177.235 176.300 -0.138 0.000 1.496 68 D CA -0.209 53.760 54.000 -0.051 0.000 0.901 68 D CB 0.098 40.913 40.800 0.024 0.000 1.441 68 D HN -0.155 nan 8.370 nan 0.000 0.423 69 K N 0.193 120.431 120.400 -0.269 0.000 2.391 69 K HA 0.367 4.687 4.320 0.001 0.000 0.197 69 K C -0.225 176.286 176.600 -0.148 0.000 1.087 69 K CA 0.405 56.509 56.287 -0.304 0.000 1.012 69 K CB 0.963 33.161 32.500 -0.504 0.000 0.925 69 K HN 0.114 nan 8.250 nan 0.000 0.547 81 L N 0.804 121.990 121.223 -0.062 0.000 2.216 81 L HA 0.627 4.967 4.340 0.001 0.000 0.260 81 L C -0.975 175.869 176.870 -0.044 0.000 1.036 81 L CA -0.556 54.250 54.840 -0.057 0.000 0.914 81 L CB 1.756 43.777 42.059 -0.063 0.000 1.501 81 L HN 0.818 nan 8.230 nan 0.000 0.485 82 N N -1.769 116.907 118.700 -0.040 0.000 2.431 82 N HA 0.123 4.863 4.740 0.001 0.000 0.275 82 N C 0.278 175.770 175.510 -0.030 0.000 1.091 82 N CA 0.241 53.273 53.050 -0.030 0.000 0.922 82 N CB 1.528 40.000 38.487 -0.024 0.000 1.666 82 N HN 0.480 nan 8.380 nan 0.000 0.484 83 S N 1.849 117.533 115.700 -0.026 0.000 2.399 83 S HA -0.155 4.315 4.470 0.001 0.000 0.231 83 S C 1.199 175.787 174.600 -0.019 0.000 1.022 83 S CA 1.108 59.294 58.200 -0.024 0.000 0.983 83 S CB -0.539 62.648 63.200 -0.022 0.000 0.803 83 S HN 0.774 nan 8.310 nan 0.000 0.480 84 N N 1.849 120.541 118.700 -0.014 0.000 2.550 84 N HA -0.053 4.687 4.740 0.001 0.000 0.186 84 N C -0.691 174.816 175.510 -0.006 0.000 1.110 84 N CA 0.532 53.578 53.050 -0.008 0.000 0.912 84 N CB -0.389 38.096 38.487 -0.004 0.000 0.968 84 N HN 0.417 nan 8.380 nan 0.000 0.448 85 D N 1.159 121.552 120.400 -0.012 0.000 2.264 85 D HA 0.063 4.703 4.640 0.001 0.000 0.249 85 D C 0.597 176.887 176.300 -0.016 0.000 1.070 85 D CA -0.293 53.701 54.000 -0.010 0.000 0.912 85 D CB 2.457 43.249 40.800 -0.013 0.000 1.193 85 D HN 0.171 nan 8.370 nan 0.000 0.427 86 E N 0.400 120.595 120.200 -0.008 0.000 2.132 86 E HA -0.056 4.294 4.350 0.001 0.000 0.193 86 E C -0.223 176.357 176.600 -0.034 0.000 0.951 86 E CA 0.457 56.848 56.400 -0.014 0.000 0.843 86 E CB 0.513 30.214 29.700 0.002 0.000 0.807 86 E HN 0.561 nan 8.360 nan 0.000 0.467 87 D N -0.401 119.994 120.400 -0.008 0.000 2.553 87 D HA 0.054 4.695 4.640 0.001 0.000 0.249 87 D C 0.926 177.250 176.300 0.040 0.000 1.062 87 D CA -0.628 53.379 54.000 0.012 0.000 1.085 87 D CB 0.901 41.740 40.800 0.065 0.000 1.350 87 D HN 0.004 nan 8.370 nan 0.000 0.575 88 I N -0.106 120.503 120.570 0.066 0.000 2.546 88 I HA -0.196 3.975 4.170 0.001 0.000 0.255 88 I C 1.908 178.049 176.117 0.040 0.000 1.163 88 I CA 1.317 62.629 61.300 0.020 0.000 1.457 88 I CB -0.460 37.525 38.000 -0.024 0.000 1.092 88 I HN 0.332 nan 8.210 nan 0.000 0.434 89 H N -0.449 118.610 119.070 -0.018 0.000 2.389 89 H HA -0.100 4.456 4.556 0.001 0.000 0.299 89 H C 1.940 177.257 175.328 -0.018 0.000 1.081 89 H CA 1.758 57.796 56.048 -0.016 0.000 1.345 89 H CB -0.415 29.340 29.762 -0.011 0.000 1.393 89 H HN 0.364 nan 8.280 nan 0.000 0.520 90 T N 1.300 115.933 114.554 0.132 0.000 2.588 90 T HA -0.141 4.209 4.350 0.001 0.000 0.261 90 T C 2.453 177.171 174.700 0.029 0.000 1.069 90 T CA 1.177 63.316 62.100 0.065 0.000 1.172 90 T CB -0.801 68.092 68.868 0.041 0.000 0.863 90 T HN 0.428 nan 8.240 nan 0.000 0.408 91 A N 2.620 125.448 122.820 0.013 0.000 2.001 91 A HA -0.329 3.992 4.320 0.001 0.000 0.224 91 A C 2.264 179.839 177.584 -0.016 0.000 1.203 91 A CA 2.184 54.215 52.037 -0.011 0.000 0.667 91 A CB -0.889 18.096 19.000 -0.024 0.000 0.823 91 A HN 0.513 nan 8.150 nan 0.000 0.473 92 N N -1.007 117.684 118.700 -0.014 0.000 2.132 92 N HA -0.082 4.658 4.740 0.001 0.000 0.187 92 N C 1.755 177.239 175.510 -0.044 0.000 1.038 92 N CA 1.537 54.569 53.050 -0.030 0.000 0.846 92 N CB -0.395 38.071 38.487 -0.035 0.000 1.012 92 N HN 0.602 nan 8.380 nan 0.000 0.429 93 E N 0.941 121.107 120.200 -0.057 0.000 2.153 93 E HA -0.071 4.279 4.350 0.001 0.000 0.194 93 E C 1.921 178.507 176.600 -0.023 0.000 0.988 93 E CA 0.605 56.949 56.400 -0.094 0.000 0.811 93 E CB 0.014 29.619 29.700 -0.158 0.000 0.746 93 E HN 0.134 nan 8.360 nan 0.000 0.466 94 R N 0.169 120.669 120.500 -0.000 0.000 2.189 94 R HA -0.099 4.241 4.340 0.001 0.000 0.223 94 R C 2.171 178.468 176.300 -0.004 0.000 1.092 94 R CA 1.551 57.657 56.100 0.010 0.000 0.989 94 R CB 0.022 30.327 30.300 0.008 0.000 0.876 94 R HN 0.159 nan 8.270 nan 0.000 0.457 95 R N 0.608 121.098 120.500 -0.018 0.000 2.123 95 R HA 0.113 4.453 4.340 0.001 0.000 0.209 95 R C 2.208 178.492 176.300 -0.026 0.000 1.078 95 R CA 0.564 56.649 56.100 -0.025 0.000 1.028 95 R CB -1.210 29.069 30.300 -0.035 0.000 0.939 95 R HN 0.174 nan 8.270 nan 0.000 0.463 96 L N 0.995 122.197 121.223 -0.034 0.000 2.042 96 L HA -0.083 4.258 4.340 0.001 0.000 0.210 96 L C 2.132 178.993 176.870 -0.015 0.000 1.076 96 L CA 2.337 57.155 54.840 -0.037 0.000 0.749 96 L CB -0.600 41.421 42.059 -0.062 0.000 0.893 96 L HN 0.432 nan 8.230 nan 0.000 0.432 97 K N -0.399 120.000 120.400 -0.001 0.000 2.442 97 K HA -0.226 4.094 4.320 0.001 0.000 0.198 97 K C 1.743 178.353 176.600 0.016 0.000 1.044 97 K CA 1.230 57.531 56.287 0.023 0.000 0.948 97 K CB 0.264 32.792 32.500 0.047 0.000 0.762 97 K HN 0.443 nan 8.250 nan 0.000 0.472 98 E N 0.719 120.922 120.200 0.004 0.000 2.035 98 E HA -0.136 4.214 4.350 0.001 0.000 0.191 98 E C 1.810 178.413 176.600 0.004 0.000 0.966 98 E CA 1.172 57.574 56.400 0.004 0.000 0.823 98 E CB -0.531 29.168 29.700 -0.003 0.000 0.791 98 E HN 0.193 nan 8.360 nan 0.000 0.459 99 L N -0.067 121.154 121.223 -0.003 0.000 2.089 99 L HA -0.159 4.181 4.340 0.001 0.000 0.213 99 L C 2.153 179.030 176.870 0.011 0.000 1.079 99 L CA 1.636 56.476 54.840 -0.000 0.000 0.758 99 L CB -0.869 41.180 42.059 -0.016 0.000 0.891 99 L HN 0.189 nan 8.230 nan 0.000 0.433 100 I N -0.408 120.169 120.570 0.011 0.000 2.681 100 I HA 0.250 4.421 4.170 0.001 0.000 0.247 100 I C 2.284 178.415 176.117 0.025 0.000 1.091 100 I CA 1.233 62.546 61.300 0.022 0.000 1.442 100 I CB -1.485 36.529 38.000 0.022 0.000 1.219 100 I HN 0.440 nan 8.210 nan 0.000 0.451 101 G N 1.343 110.159 108.800 0.026 0.000 4.825 101 G HA2 -0.412 3.548 3.960 0.001 0.000 0.224 101 G HA3 -0.412 3.548 3.960 0.001 0.000 0.224 101 G C 1.424 176.347 174.900 0.037 0.000 1.356 101 G CA 1.636 46.754 45.100 0.030 0.000 0.966 101 G HN 0.612 nan 8.290 nan 0.000 0.690 102 A N -0.413 122.426 122.820 0.032 0.000 1.830 102 A HA 0.113 4.434 4.320 0.001 0.000 0.214 102 A C 2.550 180.160 177.584 0.043 0.000 1.218 102 A CA 3.979 56.035 52.037 0.032 0.000 0.628 102 A CB -1.486 17.529 19.000 0.026 0.000 0.860 102 A HN 1.339 nan 8.150 nan 0.000 0.454 103 T N 0.914 115.493 114.554 0.042 0.000 2.680 103 T HA -0.206 4.145 4.350 0.001 0.000 0.268 103 T C 2.055 176.801 174.700 0.076 0.000 1.033 103 T CA 2.270 64.400 62.100 0.050 0.000 1.152 103 T CB -0.917 67.976 68.868 0.042 0.000 0.859 103 T HN 0.790 nan 8.240 nan 0.000 0.452 104 A N 1.837 124.702 122.820 0.076 0.000 1.915 104 A HA -0.105 4.216 4.320 0.001 0.000 0.220 104 A C 2.722 180.451 177.584 0.241 0.000 1.198 104 A CA 2.351 54.451 52.037 0.105 0.000 0.647 104 A CB -1.683 17.361 19.000 0.074 0.000 0.825 104 A HN 0.575 nan 8.150 nan 0.000 0.456 105 G N -0.770 108.140 108.800 0.183 0.000 2.469 105 G HA2 -0.317 3.644 3.960 0.001 0.000 0.219 105 G HA3 -0.317 3.644 3.960 0.001 0.000 0.219 105 G C 1.637 176.590 174.900 0.088 0.000 1.150 105 G CA 1.651 46.839 45.100 0.147 0.000 0.763 105 G HN 0.572 nan 8.290 nan 0.000 0.561 106 K N 0.238 120.707 120.400 0.114 0.000 2.217 106 K HA 0.087 4.408 4.320 0.001 0.000 0.202 106 K C 2.318 179.041 176.600 0.204 0.000 1.051 106 K CA 0.721 57.068 56.287 0.099 0.000 0.952 106 K CB -0.493 32.044 32.500 0.063 0.000 0.736 106 K HN 0.254 nan 8.250 nan 0.000 0.453 107 L N 1.317 122.708 121.223 0.280 0.000 2.151 107 L HA -0.273 4.068 4.340 0.001 0.000 0.219 107 L C 0.840 177.920 176.870 0.350 0.000 1.083 107 L CA 2.231 57.223 54.840 0.252 0.000 0.782 107 L CB -0.724 41.411 42.059 0.126 0.000 0.891 107 L HN 0.532 nan 8.230 nan 0.000 0.439 108 H N -2.370 116.762 119.070 0.103 0.000 2.591 108 H HA 0.404 4.960 4.556 0.001 0.000 0.302 108 H C -0.408 174.978 175.328 0.097 0.000 1.163 108 H CA -0.414 55.696 56.048 0.103 0.000 1.049 108 H CB -0.858 28.936 29.762 0.053 0.000 1.543 108 H HN 0.173 nan 8.280 nan 0.000 0.523 109 T N 0.711 115.389 114.554 0.206 0.000 2.771 109 T HA 0.371 4.722 4.350 0.001 0.000 0.291 109 T C 1.402 176.214 174.700 0.188 0.000 0.954 109 T CA 0.308 62.483 62.100 0.125 0.000 1.045 109 T CB 1.387 70.308 68.868 0.089 0.000 0.917 109 T HN 0.794 nan 8.240 nan 0.000 0.484 110 G N 1.872 110.739 108.800 0.111 0.000 2.320 110 G HA2 -0.210 3.751 3.960 0.001 0.000 0.242 110 G HA3 -0.210 3.751 3.960 0.001 0.000 0.242 110 G C 0.370 175.313 174.900 0.071 0.000 1.033 110 G CA 0.056 45.227 45.100 0.118 0.000 0.620 110 G HN 1.077 nan 8.290 nan 0.000 0.517 111 R N 0.797 121.303 120.500 0.010 0.000 2.239 111 R HA 0.823 5.163 4.340 0.001 0.000 0.332 111 R C 0.684 176.917 176.300 -0.110 0.000 0.988 111 R CA 0.772 56.764 56.100 -0.181 0.000 0.859 111 R CB 0.103 nan 30.300 nan 0.000 1.148 111 R HN 1.542 nan 8.270 nan 0.000 0.482 112 S N 1.198 116.838 115.700 -0.101 0.000 2.661 112 S HA 0.340 4.811 4.470 0.001 0.000 0.265 112 S C 0.861 175.380 174.600 -0.134 0.000 1.225 112 S CA -0.906 57.237 58.200 -0.095 0.000 0.986 112 S CB 1.050 64.193 63.200 -0.095 0.000 1.008 112 S HN 0.588 nan 8.310 nan 0.000 0.565 113 R N 2.222 122.629 120.500 -0.154 0.000 2.080 113 R HA -0.120 4.220 4.340 0.001 0.000 0.236 113 R C 2.197 178.324 176.300 -0.289 0.000 1.137 113 R CA 2.042 58.000 56.100 -0.237 0.000 0.943 113 R CB -1.718 28.439 30.300 -0.239 0.000 0.846 113 R HN 0.920 nan 8.270 nan 0.000 0.431 114 N N 1.345 119.802 118.700 -0.404 0.000 2.258 114 N HA -0.190 4.550 4.740 0.001 0.000 0.187 114 N C 0.832 176.149 175.510 -0.322 0.000 1.012 114 N CA 1.688 54.384 53.050 -0.590 0.000 0.870 114 N CB -0.316 37.560 38.487 -1.018 0.000 0.977 114 N HN 0.395 nan 8.380 nan 0.000 0.434 115 D N -0.034 120.234 120.400 -0.219 0.000 2.355 115 D HA -0.089 4.552 4.640 0.001 0.000 0.206 115 D C 1.881 178.115 176.300 -0.110 0.000 1.010 115 D CA 0.220 54.131 54.000 -0.149 0.000 0.875 115 D CB -0.477 40.243 40.800 -0.132 0.000 0.966 115 D HN 0.317 nan 8.370 nan 0.000 0.512 116 Q N 0.908 120.649 119.800 -0.098 0.000 2.016 116 Q HA -0.098 4.242 4.340 0.001 0.000 0.200 116 Q C 2.163 178.239 176.000 0.126 0.000 0.978 116 Q CA 1.607 57.407 55.803 -0.004 0.000 0.833 116 Q CB 0.171 28.946 28.738 0.060 0.000 0.895 116 Q HN 0.134 nan 8.270 nan 0.000 0.427 117 V N 0.073 120.066 119.914 0.133 0.000 2.343 117 V HA -0.215 3.905 4.120 0.001 0.000 0.247 117 V C 2.279 178.437 176.094 0.106 0.000 1.051 117 V CA 1.443 63.870 62.300 0.211 0.000 1.036 117 V CB -0.523 31.346 31.823 0.076 0.000 0.654 117 V HN 0.243 nan 8.190 nan 0.000 0.451 118 V N 0.262 120.191 119.914 0.026 0.000 2.759 118 V HA -0.216 3.905 4.120 0.001 0.000 0.256 118 V C 2.457 178.508 176.094 -0.072 0.000 1.080 118 V CA 2.307 64.601 62.300 -0.010 0.000 1.101 118 V CB -1.137 30.654 31.823 -0.053 0.000 0.698 118 V HN 0.633 nan 8.190 nan 0.000 0.477 119 T N -0.665 113.873 114.554 -0.026 0.000 2.896 119 T HA -0.131 4.220 4.350 0.001 0.000 0.263 119 T C 1.561 176.291 174.700 0.050 0.000 1.050 119 T CA 1.381 63.487 62.100 0.009 0.000 1.140 119 T CB -0.305 68.577 68.868 0.024 0.000 0.877 119 T HN 0.416 nan 8.240 nan 0.000 0.457 120 D N 0.298 120.725 120.400 0.045 0.000 2.310 120 D HA 0.021 4.661 4.640 0.001 0.000 0.212 120 D C 1.612 177.951 176.300 0.065 0.000 0.965 120 D CA 0.327 54.345 54.000 0.030 0.000 0.879 120 D CB 0.019 40.820 40.800 0.002 0.000 0.921 120 D HN 0.158 nan 8.370 nan 0.000 0.510 121 L N -0.350 120.915 121.223 0.070 0.000 2.467 121 L HA 0.196 4.536 4.340 0.001 0.000 0.213 121 L C 1.860 178.770 176.870 0.067 0.000 1.053 121 L CA 0.645 55.545 54.840 0.100 0.000 0.847 121 L CB 0.012 42.168 42.059 0.161 0.000 1.075 121 L HN -0.235 nan 8.230 nan 0.000 0.479 122 R N -0.130 120.304 120.500 -0.110 0.000 2.083 122 R HA -0.121 4.219 4.340 0.001 0.000 0.237 122 R C 2.198 178.523 176.300 0.041 0.000 1.137 122 R CA 1.671 57.627 56.100 -0.240 0.000 0.951 122 R CB -1.019 29.008 30.300 -0.455 0.000 0.851 122 R HN 0.370 nan 8.270 nan 0.000 0.434 123 L N -0.093 121.238 121.223 0.180 0.000 2.013 123 L HA -0.232 4.108 4.340 0.001 0.000 0.212 123 L C 2.579 179.527 176.870 0.130 0.000 1.073 123 L CA 1.593 56.542 54.840 0.182 0.000 0.753 123 L CB -0.524 41.608 42.059 0.122 0.000 0.890 123 L HN 0.434 nan 8.230 nan 0.000 0.432 124 W N 0.518 121.784 121.300 -0.058 0.000 2.354 124 W HA -0.248 4.412 4.660 0.001 0.000 0.315 124 W C 2.329 178.784 176.519 -0.106 0.000 1.206 124 W CA 1.401 58.699 57.345 -0.078 0.000 1.290 124 W CB -0.337 29.093 29.460 -0.050 0.000 1.152 124 W HN 0.133 nan 8.180 nan 0.000 0.489 125 M N 0.681 120.278 119.600 -0.004 0.000 2.106 125 M HA -0.267 4.214 4.480 0.001 0.000 0.259 125 M C 2.471 178.588 176.300 -0.306 0.000 1.068 125 M CA 2.272 57.416 55.300 -0.260 0.000 1.100 125 M CB -0.822 31.675 32.600 -0.171 0.000 1.351 125 M HN -0.078 nan 8.290 nan 0.000 0.404 126 R N 0.617 121.018 120.500 -0.165 0.000 2.193 126 R HA -0.180 4.161 4.340 0.001 0.000 0.229 126 R C 1.851 178.041 176.300 -0.182 0.000 1.110 126 R CA 1.505 57.523 56.100 -0.138 0.000 0.988 126 R CB -0.394 29.912 30.300 0.009 0.000 0.871 126 R HN 0.552 nan 8.270 nan 0.000 0.458 127 Q N 0.339 119.999 119.800 -0.233 0.000 2.165 127 Q HA -0.040 4.301 4.340 0.001 0.000 0.197 127 Q C 1.117 176.908 176.000 -0.348 0.000 0.952 127 Q CA 1.702 57.349 55.803 -0.259 0.000 0.848 127 Q CB 0.057 28.645 28.738 -0.250 0.000 0.931 127 Q HN 0.347 nan 8.270 nan 0.000 0.470 128 T N -0.013 114.234 114.554 -0.511 0.000 2.962 128 T HA -0.052 4.299 4.350 0.001 0.000 0.270 128 T C 1.923 176.429 174.700 -0.324 0.000 1.088 128 T CA 0.969 62.759 62.100 -0.516 0.000 1.127 128 T CB -0.268 68.145 68.868 -0.759 0.000 0.883 128 T HN 0.291 nan 8.240 nan 0.000 0.493 129 C N 0.814 119.920 119.300 -0.324 0.000 2.512 129 C HA 0.188 4.648 4.460 0.001 0.000 0.276 129 C C 3.154 177.976 174.990 -0.280 0.000 1.368 129 C CA 0.106 58.954 59.018 -0.284 0.000 1.755 129 C CB -1.039 26.508 27.740 -0.322 0.000 2.008 129 C HN 0.570 nan 8.230 nan 0.000 0.511 130 S N 1.034 116.581 115.700 -0.255 0.000 2.356 130 S HA -0.166 4.305 4.470 0.001 0.000 0.223 130 S C 1.917 176.374 174.600 -0.239 0.000 1.032 130 S CA 2.423 60.481 58.200 -0.236 0.000 1.005 130 S CB -0.356 62.739 63.200 -0.176 0.000 0.867 130 S HN 0.713 nan 8.310 nan 0.000 0.449 131 T N 3.244 117.675 114.554 -0.205 0.000 2.643 131 T HA -0.038 4.312 4.350 0.001 0.000 0.264 131 T C 1.770 176.381 174.700 -0.148 0.000 1.045 131 T CA 1.115 63.121 62.100 -0.158 0.000 1.155 131 T CB -0.543 68.228 68.868 -0.161 0.000 0.863 131 T HN 0.186 nan 8.240 nan 0.000 0.420 132 L N 1.239 122.377 121.223 -0.143 0.000 2.081 132 L HA -0.072 4.268 4.340 0.001 0.000 0.212 132 L C 2.640 179.402 176.870 -0.180 0.000 1.080 132 L CA 1.565 56.356 54.840 -0.082 0.000 0.754 132 L CB -1.404 40.638 42.059 -0.029 0.000 0.893 132 L HN 0.292 nan 8.230 nan 0.000 0.433 133 S N -0.965 114.512 115.700 -0.371 0.000 2.461 133 S HA -0.024 4.446 4.470 0.001 0.000 0.228 133 S C 1.855 175.941 174.600 -0.857 0.000 1.005 133 S CA 0.819 58.603 58.200 -0.694 0.000 0.942 133 S CB 0.004 62.657 63.200 -0.912 0.000 0.776 133 S HN 0.569 nan 8.310 nan 0.000 0.514 134 G N 1.220 109.763 108.800 -0.428 0.000 2.411 134 G HA2 0.017 3.977 3.960 0.001 0.000 0.213 134 G HA3 0.017 3.977 3.960 0.001 0.000 0.213 134 G C 1.325 176.247 174.900 0.037 0.000 1.166 134 G CA 0.283 45.317 45.100 -0.110 0.000 0.802 134 G HN 0.463 nan 8.290 nan 0.000 0.533 135 L N -0.195 121.023 121.223 -0.010 0.000 2.017 135 L HA -0.047 4.294 4.340 0.001 0.000 0.208 135 L C 2.693 179.607 176.870 0.073 0.000 1.073 135 L CA 0.682 55.547 54.840 0.041 0.000 0.745 135 L CB -0.467 41.611 42.059 0.032 0.000 0.894 135 L HN 0.216 nan 8.230 nan 0.000 0.432 136 L N -1.030 120.224 121.223 0.053 0.000 2.083 136 L HA -0.199 4.142 4.340 0.001 0.000 0.209 136 L C 2.202 179.195 176.870 0.204 0.000 1.083 136 L CA 1.698 56.598 54.840 0.100 0.000 0.752 136 L CB -0.645 41.475 42.059 0.102 0.000 0.899 136 L HN 0.235 nan 8.230 nan 0.000 0.433 137 W N 0.020 121.334 121.300 0.024 0.000 2.363 137 W HA -0.119 4.541 4.660 0.001 0.000 0.296 137 W C 2.621 179.136 176.519 -0.005 0.000 1.212 137 W CA 0.913 58.260 57.345 0.003 0.000 1.260 137 W CB -0.676 28.783 29.460 -0.001 0.000 1.131 137 W HN 0.196 nan 8.180 nan 0.000 0.530 138 E N 0.046 120.385 120.200 0.232 0.000 2.106 138 E HA -0.122 4.228 4.350 0.001 0.000 0.192 138 E C 2.340 178.986 176.600 0.076 0.000 0.984 138 E CA 0.570 57.042 56.400 0.121 0.000 0.806 138 E CB -0.780 28.978 29.700 0.096 0.000 0.750 138 E HN 0.256 nan 8.360 nan 0.000 0.458 139 L N 0.339 121.609 121.223 0.078 0.000 2.046 139 L HA -0.168 4.172 4.340 0.001 0.000 0.208 139 L C 2.172 179.055 176.870 0.021 0.000 1.077 139 L CA 1.134 55.996 54.840 0.037 0.000 0.747 139 L CB -0.140 41.939 42.059 0.033 0.000 0.896 139 L HN 0.120 nan 8.230 nan 0.000 0.432 140 I N -1.269 119.330 120.570 0.047 0.000 2.546 140 I HA -0.216 3.954 4.170 0.001 0.000 0.255 140 I C 2.680 178.787 176.117 -0.017 0.000 1.163 140 I CA 0.589 61.893 61.300 0.007 0.000 1.457 140 I CB -0.417 37.602 38.000 0.032 0.000 1.092 140 I HN 0.205 nan 8.210 nan 0.000 0.434 141 R N 0.587 121.090 120.500 0.005 0.000 2.073 141 R HA -0.089 4.252 4.340 0.001 0.000 0.229 141 R C 2.283 178.576 176.300 -0.011 0.000 1.120 141 R CA 1.635 57.724 56.100 -0.018 0.000 0.967 141 R CB -0.334 29.963 30.300 -0.005 0.000 0.862 141 R HN 0.231 nan 8.270 nan 0.000 0.436 142 T N 1.171 115.727 114.554 0.004 0.000 2.788 142 T HA -0.123 4.227 4.350 0.001 0.000 0.268 142 T C 1.837 176.537 174.700 0.000 0.000 1.044 142 T CA 1.509 63.614 62.100 0.008 0.000 1.139 142 T CB -0.022 68.854 68.868 0.013 0.000 0.867 142 T HN 0.188 nan 8.240 nan 0.000 0.454 143 M N 0.103 119.690 119.600 -0.022 0.000 2.098 143 M HA -0.031 4.449 4.480 0.001 0.000 0.262 143 M C 2.440 178.708 176.300 -0.052 0.000 1.072 143 M CA 1.120 56.393 55.300 -0.045 0.000 1.133 143 M CB -0.452 32.092 32.600 -0.094 0.000 1.344 143 M HN 0.035 nan 8.290 nan 0.000 0.414 144 V N 0.725 120.601 119.914 -0.063 0.000 2.332 144 V HA -0.298 3.822 4.120 0.001 0.000 0.248 144 V C 1.524 177.598 176.094 -0.034 0.000 1.055 144 V CA 2.122 64.382 62.300 -0.067 0.000 1.038 144 V CB -0.843 30.931 31.823 -0.082 0.000 0.651 144 V HN 0.414 nan 8.190 nan 0.000 0.450 145 D N -0.618 119.771 120.400 -0.018 0.000 2.144 145 D HA -0.145 4.496 4.640 0.001 0.000 0.199 145 D C 2.343 178.659 176.300 0.028 0.000 0.984 145 D CA 1.051 55.052 54.000 0.002 0.000 0.834 145 D CB -0.223 40.580 40.800 0.004 0.000 0.955 145 D HN 0.301 nan 8.370 nan 0.000 0.465 146 R N 0.302 120.826 120.500 0.041 0.000 2.090 146 R HA 0.015 4.356 4.340 0.001 0.000 0.228 146 R C 2.046 178.413 176.300 0.111 0.000 1.110 146 R CA 1.067 57.221 56.100 0.089 0.000 0.973 146 R CB -0.089 30.281 30.300 0.117 0.000 0.869 146 R HN 0.123 nan 8.270 nan 0.000 0.440 147 A N 1.191 124.046 122.820 0.058 0.000 1.892 147 A HA -0.261 4.059 4.320 0.001 0.000 0.218 147 A C 2.015 179.648 177.584 0.082 0.000 1.188 147 A CA 1.829 53.897 52.037 0.052 0.000 0.631 147 A CB -0.691 18.291 19.000 -0.030 0.000 0.822 147 A HN 0.582 nan 8.150 nan 0.000 0.447 148 E N -0.333 119.899 120.200 0.052 0.000 2.038 148 E HA -0.190 4.160 4.350 0.001 0.000 0.195 148 E C 2.221 178.866 176.600 0.075 0.000 1.000 148 E CA 1.250 57.681 56.400 0.053 0.000 0.803 148 E CB -0.285 29.433 29.700 0.031 0.000 0.750 148 E HN 0.550 nan 8.360 nan 0.000 0.448 149 A N 0.827 123.695 122.820 0.080 0.000 1.902 149 A HA -0.201 4.120 4.320 0.001 0.000 0.217 149 A C 1.787 179.438 177.584 0.111 0.000 1.181 149 A CA 1.748 53.836 52.037 0.086 0.000 0.623 149 A CB -0.382 18.666 19.000 0.080 0.000 0.818 149 A HN 0.307 nan 8.150 nan 0.000 0.443 150 E N -1.329 118.974 120.200 0.172 0.000 2.463 150 E HA 0.103 4.453 4.350 0.001 0.000 0.193 150 E C 1.615 178.353 176.600 0.230 0.000 1.041 150 E CA -0.308 56.216 56.400 0.207 0.000 0.879 150 E CB 0.073 29.962 29.700 0.315 0.000 0.997 150 E HN 0.527 nan 8.360 nan 0.000 0.478 151 R N 1.277 121.888 120.500 0.184 0.000 2.227 151 R HA -0.249 4.092 4.340 0.001 0.000 0.259 151 R C 0.981 177.381 176.300 0.167 0.000 1.139 151 R CA 2.180 58.381 56.100 0.168 0.000 0.969 151 R CB -0.078 30.293 30.300 0.118 0.000 0.903 151 R HN 0.181 nan 8.270 nan 0.000 0.452 152 D N -0.096 120.382 120.400 0.130 0.000 2.363 152 D HA -0.000 4.640 4.640 0.001 0.000 0.226 152 D C 0.017 176.381 176.300 0.107 0.000 1.020 152 D CA 0.292 54.358 54.000 0.110 0.000 0.892 152 D CB 0.193 41.040 40.800 0.079 0.000 0.900 152 D HN 0.050 nan 8.370 nan 0.000 0.531 153 V N 1.788 121.777 119.914 0.126 0.000 2.715 153 V HA 0.096 4.216 4.120 0.001 0.000 0.299 153 V C 0.622 176.807 176.094 0.151 0.000 1.054 153 V CA -0.104 62.245 62.300 0.081 0.000 1.077 153 V CB 1.385 33.189 31.823 -0.032 0.000 0.972 153 V HN -0.015 nan 8.190 nan 0.000 0.484 154 L N 5.254 126.527 121.223 0.084 0.000 2.334 154 L HA 0.795 5.135 4.340 0.001 0.000 0.273 154 L C -0.505 176.423 176.870 0.096 0.000 1.013 154 L CA -0.428 54.474 54.840 0.103 0.000 0.816 154 L CB 1.741 43.816 42.059 0.025 0.000 1.278 154 L HN 0.798 nan 8.230 nan 0.000 0.431 155 F N 1.886 121.719 119.950 -0.196 0.000 2.817 155 F HA 0.774 5.301 4.527 0.000 0.000 0.317 155 F C -3.198 172.419 175.800 -0.306 0.000 1.168 155 F CA -2.003 55.768 58.000 -0.382 0.000 0.911 155 F CB 0.930 39.593 39.000 -0.562 0.000 1.337 155 F HN 0.117 nan 8.300 nan 0.000 0.464 156 P HA 0.479 nan 4.420 nan 0.000 0.285 156 P C -0.981 175.774 177.300 -0.908 0.000 1.269 156 P CA -0.292 62.363 63.100 -0.742 0.000 0.844 156 P CB 2.003 33.336 31.700 -0.611 0.000 1.094 157 G N 0.895 109.337 108.800 -0.597 0.000 2.368 157 G HA2 0.543 4.503 3.960 0.001 0.000 0.320 157 G HA3 0.543 4.503 3.960 0.001 0.000 0.320 157 G C -1.393 173.374 174.900 -0.223 0.000 1.158 157 G CA -0.300 44.603 45.100 -0.327 0.000 0.912 157 G HN 0.302 nan 8.290 nan 0.000 0.456 158 Y N 0.817 121.173 120.300 0.093 0.000 2.496 158 Y HA 0.513 5.064 4.550 0.001 0.000 0.331 158 Y C 1.446 177.435 175.900 0.148 0.000 1.140 158 Y CA -0.605 57.582 58.100 0.146 0.000 1.166 158 Y CB 2.369 40.965 38.460 0.226 0.000 1.249 158 Y HN 0.588 nan 8.280 nan 0.000 0.479 159 T N -2.097 112.667 114.554 0.349 0.000 3.507 159 T HA 0.088 4.439 4.350 0.001 0.000 0.197 159 T C 0.243 175.134 174.700 0.318 0.000 0.847 159 T CA -0.094 62.194 62.100 0.315 0.000 1.531 159 T CB -0.227 68.856 68.868 0.359 0.000 1.834 159 T HN 0.573 nan 8.240 nan 0.000 0.433 160 H N 2.286 121.440 119.070 0.141 0.000 2.640 160 H HA 0.426 4.982 4.556 0.001 0.000 0.220 160 H C 0.119 175.521 175.328 0.125 0.000 1.852 160 H CA -0.322 55.790 56.048 0.108 0.000 1.275 160 H CB -0.595 29.218 29.762 0.085 0.000 1.675 160 H HN 0.232 nan 8.280 nan 0.000 0.523 161 L N 0.725 122.094 121.223 0.244 0.000 3.976 161 L HA -0.306 4.035 4.340 0.001 0.000 0.418 161 L C -0.122 176.935 176.870 0.311 0.000 1.177 161 L CA 0.899 55.843 54.840 0.173 0.000 0.968 161 L CB -0.949 41.141 42.059 0.052 0.000 1.933 161 L HN 0.604 nan 8.230 nan 0.000 0.976 162 Q N -0.394 119.678 119.800 0.452 0.000 2.323 162 Q HA 0.404 4.744 4.340 0.001 0.000 0.271 162 Q C -0.116 176.089 176.000 0.342 0.000 1.048 162 Q CA -0.845 55.209 55.803 0.418 0.000 0.792 162 Q CB 1.696 30.566 28.738 0.219 0.000 1.280 162 Q HN 0.099 nan 8.270 nan 0.000 0.441 163 R N 1.594 122.220 120.500 0.211 0.000 3.209 163 R HA -0.170 4.170 4.340 0.001 0.000 0.307 163 R C 0.044 176.310 176.300 -0.057 0.000 0.723 163 R CA 0.749 56.773 56.100 -0.127 0.000 1.087 163 R CB 0.133 30.384 30.300 -0.081 0.000 0.904 163 R HN 0.721 nan 8.270 nan 0.000 0.383 164 A N 3.581 126.340 122.820 -0.102 0.000 1.988 164 A HA 0.096 4.416 4.320 0.001 0.000 0.198 164 A C 0.374 177.939 177.584 -0.032 0.000 1.507 164 A CA 0.429 52.453 52.037 -0.022 0.000 0.901 164 A CB 0.658 19.675 19.000 0.029 0.000 1.007 164 A HN 0.641 nan 8.150 nan 0.000 0.502 165 Q N -0.318 119.421 119.800 -0.103 0.000 2.340 165 Q HA 0.362 4.702 4.340 0.001 0.000 0.276 165 Q C -3.002 172.908 176.000 -0.149 0.000 1.048 165 Q CA -2.297 53.452 55.803 -0.090 0.000 0.832 165 Q CB 3.371 32.028 28.738 -0.134 0.000 1.373 165 Q HN 0.199 nan 8.270 nan 0.000 0.409 166 P HA 0.203 nan 4.420 nan 0.000 0.276 166 P C -0.990 176.238 177.300 -0.120 0.000 1.243 166 P CA 0.188 63.238 63.100 -0.084 0.000 0.768 166 P CB 0.342 32.101 31.700 0.099 0.000 0.856 167 I N -0.661 119.805 120.570 -0.174 0.000 2.894 167 I HA 0.575 4.745 4.170 0.001 0.000 0.302 167 I C -0.249 175.875 176.117 0.012 0.000 1.188 167 I CA -1.855 59.366 61.300 -0.132 0.000 1.014 167 I CB 2.424 40.307 38.000 -0.194 0.000 1.242 167 I HN 0.044 nan 8.210 nan 0.000 0.430 168 R N 2.433 123.008 120.500 0.125 0.000 2.694 168 R HA 0.051 4.392 4.340 0.001 0.000 0.268 168 R C 0.611 177.228 176.300 0.529 0.000 1.061 168 R CA -0.116 56.161 56.100 0.295 0.000 1.133 168 R CB 0.717 31.162 30.300 0.242 0.000 1.020 168 R HN 0.865 nan 8.270 nan 0.000 0.475 169 W N 2.273 123.786 121.300 0.356 0.000 2.436 169 W HA -0.117 4.543 4.660 0.000 0.000 0.284 169 W C 0.501 177.214 176.519 0.323 0.000 1.225 169 W CA 1.262 58.796 57.345 0.314 0.000 1.271 169 W CB 0.068 29.519 29.460 -0.015 0.000 1.114 169 W HN 0.480 nan 8.180 nan 0.000 0.559 170 S N -0.472 115.369 115.700 0.235 0.000 2.481 170 S HA -0.165 4.305 4.470 0.001 0.000 0.231 170 S C 1.504 176.106 174.600 0.003 0.000 0.996 170 S CA 0.653 58.867 58.200 0.024 0.000 0.942 170 S CB -0.733 62.535 63.200 0.114 0.000 0.768 170 S HN 0.359 nan 8.310 nan 0.000 0.520 171 H N -1.319 117.802 119.070 0.084 0.000 2.547 171 H HA -0.040 4.516 4.556 0.001 0.000 0.272 171 H C 1.616 176.969 175.328 0.041 0.000 0.989 171 H CA 0.831 56.914 56.048 0.058 0.000 1.214 171 H CB 0.048 29.865 29.762 0.092 0.000 1.389 171 H HN 0.628 nan 8.280 nan 0.000 0.577 172 W N 0.659 121.906 121.300 -0.087 0.000 2.601 172 W HA 0.021 4.681 4.660 0.000 0.000 0.292 172 W C 1.953 178.252 176.519 -0.367 0.000 1.153 172 W CA 0.193 57.452 57.345 -0.143 0.000 1.448 172 W CB -0.480 29.027 29.460 0.080 0.000 1.113 172 W HN -0.075 nan 8.180 nan 0.000 0.548 173 I N 1.246 121.480 120.570 -0.560 0.000 2.248 173 I HA -0.274 3.896 4.170 0.001 0.000 0.248 173 I C 2.174 177.965 176.117 -0.543 0.000 1.107 173 I CA 1.330 62.220 61.300 -0.684 0.000 1.373 173 I CB -1.495 36.208 38.000 -0.496 0.000 1.055 173 I HN 0.106 nan 8.210 nan 0.000 0.418 174 L N 0.843 121.800 121.223 -0.444 0.000 2.217 174 L HA -0.093 4.248 4.340 0.001 0.000 0.211 174 L C 2.706 179.319 176.870 -0.429 0.000 1.107 174 L CA 1.677 56.290 54.840 -0.379 0.000 0.783 174 L CB -0.855 41.007 42.059 -0.329 0.000 0.919 174 L HN 0.320 nan 8.230 nan 0.000 0.442 175 S N -3.021 112.339 115.700 -0.565 0.000 2.489 175 S HA -0.115 4.355 4.470 0.001 0.000 0.228 175 S C 1.662 175.950 174.600 -0.520 0.000 0.995 175 S CA 0.585 58.476 58.200 -0.515 0.000 0.934 175 S CB -0.695 62.194 63.200 -0.518 0.000 0.771 175 S HN 0.607 nan 8.310 nan 0.000 0.522 176 H N 0.070 118.860 119.070 -0.466 0.000 2.553 176 H HA 0.498 5.054 4.556 0.001 0.000 0.265 176 H C 2.161 177.293 175.328 -0.326 0.000 0.964 176 H CA 0.301 56.097 56.048 -0.420 0.000 1.156 176 H CB 0.262 29.701 29.762 -0.538 0.000 1.411 176 H HN 0.561 nan 8.280 nan 0.000 0.558 177 A N 0.303 122.990 122.820 -0.222 0.000 1.862 177 A HA -0.039 4.282 4.320 0.001 0.000 0.211 177 A C 2.315 179.802 177.584 -0.162 0.000 1.220 177 A CA 0.659 52.593 52.037 -0.171 0.000 0.616 177 A CB -0.666 18.225 19.000 -0.181 0.000 0.878 177 A HN 0.161 nan 8.150 nan 0.000 0.453 178 V N 0.486 120.285 119.914 -0.192 0.000 2.324 178 V HA -0.309 3.811 4.120 0.001 0.000 0.250 178 V C 2.998 178.994 176.094 -0.164 0.000 1.060 178 V CA 2.198 64.398 62.300 -0.167 0.000 1.042 178 V CB -1.257 30.461 31.823 -0.175 0.000 0.650 178 V HN 0.599 nan 8.190 nan 0.000 0.450 179 A N -0.942 121.745 122.820 -0.222 0.000 1.968 179 A HA -0.035 4.285 4.320 0.001 0.000 0.217 179 A C 2.184 179.529 177.584 -0.398 0.000 1.169 179 A CA 1.312 53.140 52.037 -0.349 0.000 0.638 179 A CB -0.375 18.356 19.000 -0.449 0.000 0.812 179 A HN 0.505 nan 8.150 nan 0.000 0.446 180 L N -1.320 119.757 121.223 -0.243 0.000 2.313 180 L HA -0.071 4.270 4.340 0.001 0.000 0.214 180 L C 2.637 179.502 176.870 -0.008 0.000 1.119 180 L CA 1.243 56.012 54.840 -0.119 0.000 0.809 180 L CB -0.353 41.661 42.059 -0.073 0.000 0.933 180 L HN 0.345 nan 8.230 nan 0.000 0.449 181 T N -0.688 113.848 114.554 -0.030 0.000 2.821 181 T HA -0.189 4.162 4.350 0.001 0.000 0.267 181 T C 2.056 176.793 174.700 0.061 0.000 1.046 181 T CA 1.179 63.295 62.100 0.026 0.000 1.139 181 T CB -0.008 68.840 68.868 -0.032 0.000 0.871 181 T HN 0.220 nan 8.240 nan 0.000 0.454 182 R N 0.560 121.075 120.500 0.025 0.000 2.096 182 R HA -0.085 4.255 4.340 0.001 0.000 0.235 182 R C 2.018 178.407 176.300 0.148 0.000 1.127 182 R CA 1.558 57.698 56.100 0.067 0.000 0.968 182 R CB -0.142 30.183 30.300 0.042 0.000 0.861 182 R HN 0.414 nan 8.270 nan 0.000 0.440 183 D N -0.632 119.878 120.400 0.182 0.000 2.144 183 D HA -0.139 4.501 4.640 0.001 0.000 0.199 183 D C 1.617 178.145 176.300 0.380 0.000 0.984 183 D CA 1.216 55.424 54.000 0.347 0.000 0.834 183 D CB -0.078 40.907 40.800 0.309 0.000 0.955 183 D HN 0.129 nan 8.370 nan 0.000 0.465 184 S N -0.119 115.731 115.700 0.250 0.000 2.489 184 S HA -0.094 4.376 4.470 0.001 0.000 0.228 184 S C 1.654 176.344 174.600 0.149 0.000 0.995 184 S CA 0.406 58.713 58.200 0.179 0.000 0.934 184 S CB 0.174 63.549 63.200 0.292 0.000 0.771 184 S HN 0.197 nan 8.310 nan 0.000 0.522 185 E N 0.543 120.834 120.200 0.152 0.000 2.076 185 E HA -0.048 4.303 4.350 0.001 0.000 0.190 185 E C 2.267 178.917 176.600 0.084 0.000 0.979 185 E CA 0.451 56.919 56.400 0.114 0.000 0.807 185 E CB 0.054 29.811 29.700 0.096 0.000 0.761 185 E HN 0.449 nan 8.360 nan 0.000 0.454 186 R N 0.242 120.812 120.500 0.116 0.000 2.070 186 R HA -0.150 4.191 4.340 0.001 0.000 0.232 186 R C 2.482 178.764 176.300 -0.029 0.000 1.138 186 R CA 1.236 57.404 56.100 0.112 0.000 0.936 186 R CB -0.565 29.902 30.300 0.278 0.000 0.839 186 R HN 0.168 nan 8.270 nan 0.000 0.429 187 L N 1.182 122.291 121.223 -0.190 0.000 2.261 187 L HA -0.105 4.235 4.340 0.001 0.000 0.216 187 L C 1.821 178.525 176.870 -0.276 0.000 1.114 187 L CA 1.451 55.995 54.840 -0.494 0.000 0.777 187 L CB -0.206 41.377 42.059 -0.793 0.000 0.910 187 L HN 0.207 nan 8.230 nan 0.000 0.440 188 L N -1.571 119.571 121.223 -0.134 0.000 2.270 188 L HA -0.084 4.257 4.340 0.001 0.000 0.210 188 L C 2.254 179.097 176.870 -0.045 0.000 1.104 188 L CA 0.542 55.335 54.840 -0.079 0.000 0.804 188 L CB 0.008 42.081 42.059 0.023 0.000 0.937 188 L HN 0.227 nan 8.230 nan 0.000 0.450 189 E N -0.708 119.478 120.200 -0.024 0.000 2.152 189 E HA -0.170 4.180 4.350 0.001 0.000 0.192 189 E C 2.040 178.633 176.600 -0.012 0.000 0.983 189 E CA 0.644 57.044 56.400 -0.000 0.000 0.818 189 E CB 0.154 29.872 29.700 0.029 0.000 0.758 189 E HN 0.162 nan 8.360 nan 0.000 0.467 190 V N -0.039 119.853 119.914 -0.037 0.000 2.488 190 V HA -0.138 3.983 4.120 0.001 0.000 0.246 190 V C 2.247 178.301 176.094 -0.067 0.000 1.046 190 V CA 1.643 63.926 62.300 -0.028 0.000 1.053 190 V CB -0.156 31.656 31.823 -0.019 0.000 0.679 190 V HN 0.141 nan 8.190 nan 0.000 0.458 191 R N 0.444 120.878 120.500 -0.110 0.000 2.117 191 R HA -0.225 4.116 4.340 0.001 0.000 0.243 191 R C 2.163 178.418 176.300 -0.075 0.000 1.143 191 R CA 2.177 58.205 56.100 -0.121 0.000 0.968 191 R CB -0.247 29.971 30.300 -0.137 0.000 0.863 191 R HN 0.473 nan 8.270 nan 0.000 0.444 192 K N -1.252 119.118 120.400 -0.050 0.000 2.243 192 K HA 0.011 4.331 4.320 0.001 0.000 0.201 192 K C 1.983 178.556 176.600 -0.046 0.000 1.051 192 K CA 0.838 57.104 56.287 -0.034 0.000 0.970 192 K CB 0.128 32.618 32.500 -0.016 0.000 0.755 192 K HN -0.013 nan 8.250 nan 0.000 0.465 193 R N 0.450 120.925 120.500 -0.041 0.000 2.275 193 R HA 0.170 4.511 4.340 0.001 0.000 0.199 193 R C 1.497 177.744 176.300 -0.088 0.000 0.989 193 R CA 0.529 56.604 56.100 -0.041 0.000 1.016 193 R CB 0.136 30.440 30.300 0.006 0.000 0.918 193 R HN 0.133 nan 8.270 nan 0.000 0.473 194 I N -0.195 120.312 120.570 -0.106 0.000 2.703 194 I HA -0.104 4.066 4.170 0.001 0.000 0.259 194 I C 1.151 177.088 176.117 -0.300 0.000 1.151 194 I CA 0.363 61.552 61.300 -0.186 0.000 1.470 194 I CB -0.085 37.835 38.000 -0.133 0.000 1.112 194 I HN 0.062 nan 8.210 nan 0.000 0.437 195 N N 1.474 120.063 118.700 -0.187 0.000 2.586 195 N HA -0.003 4.737 4.740 0.001 0.000 0.206 195 N C -0.296 174.979 175.510 -0.393 0.000 1.377 195 N CA 0.231 53.198 53.050 -0.139 0.000 0.871 195 N CB -0.130 38.384 38.487 0.045 0.000 1.107 195 N HN 0.022 nan 8.380 nan 0.000 0.462 196 V N 1.011 120.580 119.914 -0.575 0.000 2.716 196 V HA 0.286 4.406 4.120 0.001 0.000 0.304 196 V C 0.379 175.961 176.094 -0.853 0.000 1.053 196 V CA -0.943 61.049 62.300 -0.513 0.000 0.984 196 V CB 2.550 34.180 31.823 -0.322 0.000 1.021 196 V HN 0.047 nan 8.190 nan 0.000 0.467 197 L N 6.815 127.735 121.223 -0.505 0.000 2.287 197 L HA 0.517 4.858 4.340 0.001 0.000 0.287 197 L C -1.883 174.873 176.870 -0.190 0.000 1.022 197 L CA -1.558 53.074 54.840 -0.347 0.000 0.814 197 L CB 2.347 44.434 42.059 0.047 0.000 1.217 197 L HN 0.474 nan 8.230 nan 0.000 0.420 198 P HA -0.013 nan 4.420 nan 0.000 0.242 198 P C 0.548 177.811 177.300 -0.062 0.000 1.176 198 P CA -0.286 62.741 63.100 -0.121 0.000 0.859 198 P CB 0.859 32.466 31.700 -0.156 0.000 1.010 199 L N 1.709 122.910 121.223 -0.036 0.000 2.720 199 L HA 0.126 4.466 4.340 0.001 0.000 0.289 199 L C 1.368 178.250 176.870 0.020 0.000 1.232 199 L CA 2.285 57.113 54.840 -0.019 0.000 0.915 199 L CB -1.159 40.919 42.059 0.031 0.000 1.184 199 L HN 0.493 nan 8.230 nan 0.000 0.491 200 G N 2.334 111.133 108.800 -0.002 0.000 2.179 200 G HA2 -0.243 3.718 3.960 0.001 0.000 0.220 200 G HA3 -0.243 3.718 3.960 0.001 0.000 0.220 200 G C 0.832 175.747 174.900 0.026 0.000 0.990 200 G CA 0.245 45.389 45.100 0.074 0.000 0.646 200 G HN 0.666 nan 8.290 nan 0.000 0.517 201 S N 0.661 116.350 115.700 -0.017 0.000 2.634 201 S HA 0.433 4.903 4.470 0.001 0.000 0.221 201 S C 2.104 176.686 174.600 -0.031 0.000 0.952 201 S CA 1.195 59.381 58.200 -0.022 0.000 0.930 201 S CB -0.137 63.042 63.200 -0.036 0.000 0.780 201 S HN 2.051 nan 8.310 nan 0.000 0.498 202 G N 2.190 110.970 108.800 -0.033 0.000 2.665 202 G HA2 -0.370 3.591 3.960 0.001 0.000 0.326 202 G HA3 -0.370 3.591 3.960 0.001 0.000 0.326 202 G C 0.900 175.762 174.900 -0.063 0.000 1.231 202 G CA 0.697 45.776 45.100 -0.036 0.000 0.992 202 G HN 0.810 nan 8.290 nan 0.000 0.549 203 A N -2.731 120.062 122.820 -0.045 0.000 1.921 203 A HA 0.712 5.032 4.320 0.001 0.000 0.202 203 A C 2.006 179.574 177.584 -0.027 0.000 1.721 203 A CA 1.897 53.900 52.037 -0.056 0.000 1.025 203 A CB 0.305 19.283 19.000 -0.037 0.000 1.060 203 A HN 0.846 nan 8.150 nan 0.000 0.535 204 I N -1.073 119.493 120.570 -0.007 0.000 3.746 204 I HA 0.461 4.631 4.170 0.001 0.000 0.262 204 I C 1.154 177.273 176.117 0.004 0.000 1.153 204 I CA 0.836 62.141 61.300 0.009 0.000 1.395 204 I CB 0.146 38.157 38.000 0.018 0.000 1.589 204 I HN 0.245 nan 8.210 nan 0.000 0.441 205 A N 0.065 122.887 122.820 0.004 0.000 2.242 205 A HA 0.695 5.015 4.320 0.001 0.000 0.304 205 A C 0.912 178.497 177.584 0.002 0.000 1.100 205 A CA 0.063 52.103 52.037 0.004 0.000 0.860 205 A CB -0.600 18.404 19.000 0.007 0.000 1.168 205 A HN 0.320 nan 8.150 nan 0.000 0.503 206 G N -0.203 108.600 108.800 0.006 0.000 2.313 206 G HA2 0.083 4.044 3.960 0.001 0.000 0.283 206 G HA3 0.083 4.044 3.960 0.001 0.000 0.283 206 G C 0.238 175.150 174.900 0.020 0.000 1.476 206 G CA -0.191 44.915 45.100 0.011 0.000 1.054 206 G HN 0.708 nan 8.290 nan 0.000 0.550 207 N N 1.065 119.786 118.700 0.035 0.000 2.444 207 N HA 0.257 4.998 4.740 0.001 0.000 0.271 207 N C -0.916 174.619 175.510 0.042 0.000 1.069 207 N CA -1.542 51.542 53.050 0.056 0.000 0.965 207 N CB 1.929 40.471 38.487 0.091 0.000 1.092 207 N HN 0.123 nan 8.380 nan 0.000 0.476 208 P HA 0.021 nan 4.420 nan 0.000 0.219 208 P C 1.161 178.476 177.300 0.025 0.000 1.154 208 P CA 0.659 63.775 63.100 0.027 0.000 0.826 208 P CB 0.550 32.264 31.700 0.023 0.000 0.795 209 L N -0.976 120.266 121.223 0.033 0.000 2.622 209 L HA 0.135 4.475 4.340 0.001 0.000 0.233 209 L C 1.805 178.680 176.870 0.009 0.000 1.156 209 L CA 0.849 55.700 54.840 0.019 0.000 0.866 209 L CB -1.161 40.910 42.059 0.020 0.000 0.980 209 L HN 0.151 nan 8.230 nan 0.000 0.448 210 G N 0.147 108.957 108.800 0.016 0.000 2.234 210 G HA2 -0.326 3.634 3.960 0.001 0.000 0.260 210 G HA3 -0.326 3.634 3.960 0.001 0.000 0.260 210 G C 0.521 175.424 174.900 0.004 0.000 0.987 210 G CA 0.313 45.418 45.100 0.010 0.000 0.625 210 G HN 0.267 nan 8.290 nan 0.000 0.532 211 V N 2.798 122.708 119.914 -0.007 0.000 2.742 211 V HA 0.309 4.430 4.120 0.001 0.000 0.302 211 V C 0.764 176.857 176.094 -0.001 0.000 1.133 211 V CA 0.390 62.669 62.300 -0.035 0.000 1.284 211 V CB 0.259 32.015 31.823 -0.112 0.000 0.850 211 V HN 0.688 nan 8.190 nan 0.000 0.494 212 D N 7.383 127.777 120.400 -0.009 0.000 2.417 212 D HA 0.052 4.692 4.640 0.001 0.000 0.250 212 D C 0.905 177.221 176.300 0.027 0.000 1.166 212 D CA -0.330 53.675 54.000 0.008 0.000 0.881 212 D CB 0.856 41.656 40.800 0.001 0.000 1.164 212 D HN 0.644 nan 8.370 nan 0.000 0.467 213 R N 2.133 122.656 120.500 0.038 0.000 2.115 213 R HA -0.108 4.232 4.340 0.001 0.000 0.230 213 R C 1.590 177.918 176.300 0.046 0.000 1.111 213 R CA 0.559 56.690 56.100 0.052 0.000 0.976 213 R CB -0.279 30.045 30.300 0.040 0.000 0.870 213 R HN 0.572 nan 8.270 nan 0.000 0.445 214 E N 1.124 121.343 120.200 0.031 0.000 2.085 214 E HA -0.174 4.177 4.350 0.001 0.000 0.194 214 E C 1.979 178.596 176.600 0.028 0.000 0.994 214 E CA 0.908 57.324 56.400 0.027 0.000 0.801 214 E CB -0.192 29.518 29.700 0.017 0.000 0.743 214 E HN 0.115 nan 8.360 nan 0.000 0.453 215 L N 0.351 121.587 121.223 0.022 0.000 2.141 215 L HA -0.147 4.193 4.340 0.001 0.000 0.209 215 L C 2.038 178.926 176.870 0.030 0.000 1.094 215 L CA 0.986 55.835 54.840 0.015 0.000 0.763 215 L CB -0.260 41.800 42.059 0.001 0.000 0.908 215 L HN 0.098 nan 8.230 nan 0.000 0.437 216 L N -0.340 120.916 121.223 0.054 0.000 2.376 216 L HA -0.080 4.260 4.340 0.001 0.000 0.219 216 L C 2.505 179.432 176.870 0.095 0.000 1.133 216 L CA 1.539 56.431 54.840 0.087 0.000 0.816 216 L CB -1.159 40.981 42.059 0.134 0.000 0.933 216 L HN 0.472 nan 8.230 nan 0.000 0.449 217 R N -1.197 119.355 120.500 0.087 0.000 2.223 217 R HA 0.252 4.592 4.340 0.001 0.000 0.198 217 R C 1.974 178.310 176.300 0.060 0.000 0.984 217 R CA 0.934 57.104 56.100 0.116 0.000 1.018 217 R CB -0.464 29.899 30.300 0.106 0.000 0.945 217 R HN 0.050 nan 8.270 nan 0.000 0.479 218 A N 1.303 124.140 122.820 0.028 0.000 1.878 218 A HA -0.034 4.286 4.320 0.001 0.000 0.213 218 A C 2.062 179.631 177.584 -0.025 0.000 1.192 218 A CA 1.081 53.120 52.037 0.003 0.000 0.619 218 A CB -0.376 18.626 19.000 0.003 0.000 0.837 218 A HN 0.404 nan 8.150 nan 0.000 0.446 219 E N 0.047 120.234 120.200 -0.022 0.000 2.051 219 E HA -0.082 4.268 4.350 0.001 0.000 0.192 219 E C 1.557 178.101 176.600 -0.093 0.000 0.991 219 E CA 1.014 57.389 56.400 -0.041 0.000 0.799 219 E CB -0.235 29.453 29.700 -0.019 0.000 0.748 219 E HN 0.550 nan 8.360 nan 0.000 0.449 220 L N 0.949 122.098 121.223 -0.123 0.000 2.622 220 L HA 0.010 4.351 4.340 0.001 0.000 0.233 220 L C 0.254 176.844 176.870 -0.467 0.000 1.156 220 L CA 0.095 54.756 54.840 -0.299 0.000 0.866 220 L CB -0.379 41.492 42.059 -0.314 0.000 0.980 220 L HN 0.242 nan 8.230 nan 0.000 0.448 221 N N -0.613 117.936 118.700 -0.250 0.000 2.725 221 N HA -0.212 4.528 4.740 0.001 0.000 0.249 221 N C -0.315 175.081 175.510 -0.190 0.000 1.103 221 N CA 0.739 53.669 53.050 -0.199 0.000 0.707 221 N CB -0.937 37.433 38.487 -0.194 0.000 1.043 221 N HN 0.147 nan 8.380 nan 0.000 0.553 222 F N 0.220 120.148 119.950 -0.038 0.000 2.380 222 F HA 0.429 4.956 4.527 0.001 0.000 0.321 222 F C 2.143 177.920 175.800 -0.039 0.000 1.103 222 F CA -0.008 57.963 58.000 -0.048 0.000 1.067 222 F CB 0.273 39.240 39.000 -0.055 0.000 1.265 222 F HN -0.072 nan 8.300 nan 0.000 0.517 223 G N 0.638 109.567 108.800 0.214 0.000 2.421 223 G HA2 0.266 4.226 3.960 0.001 0.000 0.216 223 G HA3 0.266 4.226 3.960 0.001 0.000 0.216 223 G C 0.013 174.948 174.900 0.058 0.000 1.171 223 G CA 1.120 46.272 45.100 0.086 0.000 0.775 223 G HN 0.894 nan 8.290 nan 0.000 0.543 224 A N -1.395 121.450 122.820 0.041 0.000 2.540 224 A HA 0.584 4.904 4.320 0.001 0.000 0.291 224 A C -0.744 176.835 177.584 -0.009 0.000 1.083 224 A CA -0.476 51.572 52.037 0.019 0.000 0.650 224 A CB 0.159 19.159 19.000 -0.000 0.000 1.292 224 A HN 0.761 nan 8.150 nan 0.000 0.435 225 I N -1.368 119.199 120.570 -0.005 0.000 2.713 225 I HA 0.693 4.864 4.170 0.001 0.000 0.300 225 I C 0.441 176.532 176.117 -0.044 0.000 1.009 225 I CA -0.399 60.888 61.300 -0.022 0.000 1.305 225 I CB 1.438 39.440 38.000 0.002 0.000 1.430 225 I HN 0.539 nan 8.210 nan 0.000 0.546 226 T N 4.325 118.843 114.554 -0.060 0.000 2.869 226 T HA 0.427 4.777 4.350 0.001 0.000 0.295 226 T C 0.509 175.190 174.700 -0.032 0.000 0.987 226 T CA -0.759 61.306 62.100 -0.058 0.000 1.109 226 T CB 0.410 69.231 68.868 -0.079 0.000 0.932 226 T HN 0.580 nan 8.240 nan 0.000 0.518 227 L N 3.693 124.901 121.223 -0.024 0.000 2.862 227 L HA 0.561 4.902 4.340 0.001 0.000 0.240 227 L C 0.615 177.479 176.870 -0.009 0.000 1.283 227 L CA -0.398 54.435 54.840 -0.013 0.000 1.117 227 L CB -0.744 41.309 42.059 -0.009 0.000 1.444 227 L HN 0.395 nan 8.230 nan 0.000 0.456 228 N N -0.310 118.383 118.700 -0.011 0.000 3.126 228 N HA 0.002 4.743 4.740 0.001 0.000 0.233 228 N C 0.253 175.758 175.510 -0.009 0.000 1.069 228 N CA 0.604 53.650 53.050 -0.006 0.000 1.071 228 N CB 1.686 40.172 38.487 -0.002 0.000 1.683 228 N HN 0.104 nan 8.380 nan 0.000 0.586 229 S N 2.394 118.091 115.700 -0.004 0.000 2.446 229 S HA 0.030 4.501 4.470 0.001 0.000 0.225 229 S C 1.768 176.367 174.600 -0.002 0.000 1.016 229 S CA 0.420 58.616 58.200 -0.007 0.000 0.943 229 S CB 0.041 63.239 63.200 -0.004 0.000 0.786 229 S HN 0.617 nan 8.310 nan 0.000 0.508 230 M N 1.290 120.894 119.600 0.006 0.000 2.447 230 M HA 0.107 4.587 4.480 0.001 0.000 0.264 230 M C 1.726 178.040 176.300 0.022 0.000 1.095 230 M CA 1.126 56.436 55.300 0.017 0.000 1.125 230 M CB -0.161 32.450 32.600 0.019 0.000 1.389 230 M HN 0.233 nan 8.290 nan 0.000 0.459 231 D N 0.338 120.747 120.400 0.014 0.000 2.149 231 D HA 0.017 4.658 4.640 0.001 0.000 0.206 231 D C 1.965 178.276 176.300 0.019 0.000 0.967 231 D CA 1.346 55.358 54.000 0.020 0.000 0.848 231 D CB 0.144 40.952 40.800 0.013 0.000 0.998 231 D HN 0.210 nan 8.370 nan 0.000 0.474 232 A N -0.442 122.375 122.820 -0.005 0.000 1.948 232 A HA -0.197 4.123 4.320 0.001 0.000 0.220 232 A C 2.255 179.834 177.584 -0.007 0.000 1.177 232 A CA 2.368 54.389 52.037 -0.027 0.000 0.636 232 A CB -0.981 17.985 19.000 -0.057 0.000 0.815 232 A HN 0.343 nan 8.150 nan 0.000 0.449 233 T N -1.376 113.180 114.554 0.004 0.000 2.809 233 T HA -0.027 4.323 4.350 0.001 0.000 0.260 233 T C 2.124 176.891 174.700 0.112 0.000 1.039 233 T CA 1.521 63.629 62.100 0.013 0.000 1.141 233 T CB -0.189 68.677 68.868 -0.003 0.000 0.869 233 T HN 0.379 nan 8.240 nan 0.000 0.437 234 S N 0.223 115.992 115.700 0.115 0.000 2.501 234 S HA 0.068 4.538 4.470 0.001 0.000 0.220 234 S C 0.734 175.395 174.600 0.101 0.000 0.997 234 S CA -0.050 58.230 58.200 0.133 0.000 0.919 234 S CB 0.008 63.260 63.200 0.087 0.000 0.778 234 S HN 0.462 nan 8.310 nan 0.000 0.523 235 E N 1.472 121.731 120.200 0.098 0.000 2.216 235 E HA 0.203 4.553 4.350 0.001 0.000 0.279 235 E C -0.392 176.307 176.600 0.165 0.000 0.997 235 E CA -0.396 56.061 56.400 0.096 0.000 0.817 235 E CB 0.645 30.390 29.700 0.076 0.000 1.096 235 E HN -0.039 nan 8.360 nan 0.000 0.393 236 R N 3.550 124.084 120.500 0.056 0.000 2.690 236 R HA 0.147 4.488 4.340 0.001 0.000 0.419 236 R C -0.113 176.032 176.300 -0.258 0.000 1.090 236 R CA -0.304 55.714 56.100 -0.138 0.000 1.064 236 R CB 0.243 30.399 30.300 -0.240 0.000 1.391 236 R HN 0.527 nan 8.270 nan 0.000 0.586 237 D N 0.716 121.102 120.400 -0.024 0.000 2.221 237 D HA -0.170 4.470 4.640 0.001 0.000 0.204 237 D C 1.602 177.884 176.300 -0.029 0.000 0.982 237 D CA 1.121 55.101 54.000 -0.034 0.000 0.857 237 D CB -0.065 40.764 40.800 0.049 0.000 0.934 237 D HN 0.326 nan 8.370 nan 0.000 0.475 238 F N 0.627 120.545 119.950 -0.054 0.000 2.234 238 F HA -0.125 4.402 4.527 0.001 0.000 0.299 238 F C 2.149 177.921 175.800 -0.046 0.000 1.087 238 F CA 0.742 58.705 58.000 -0.062 0.000 1.340 238 F CB -1.155 37.786 39.000 -0.099 0.000 1.031 238 F HN -0.057 nan 8.300 nan 0.000 0.500 239 V N -0.985 118.436 119.914 -0.823 0.000 2.725 239 V HA 0.259 4.379 4.120 0.001 0.000 0.247 239 V C 2.536 178.496 176.094 -0.223 0.000 1.058 239 V CA 0.811 62.827 62.300 -0.475 0.000 1.080 239 V CB -1.356 30.100 31.823 -0.611 0.000 0.713 239 V HN 0.393 nan 8.190 nan 0.000 0.465 240 A N 0.794 123.425 122.820 -0.315 0.000 1.933 240 A HA -0.181 4.139 4.320 0.001 0.000 0.218 240 A C 2.150 179.454 177.584 -0.467 0.000 1.175 240 A CA 1.954 53.748 52.037 -0.405 0.000 0.628 240 A CB -0.564 18.177 19.000 -0.431 0.000 0.814 240 A HN 0.660 nan 8.150 nan 0.000 0.444 241 E N -1.654 118.444 120.200 -0.170 0.000 2.152 241 E HA -0.112 4.239 4.350 0.001 0.000 0.192 241 E C 1.660 178.408 176.600 0.247 0.000 0.983 241 E CA 0.962 57.408 56.400 0.077 0.000 0.818 241 E CB -0.196 29.601 29.700 0.163 0.000 0.758 241 E HN 0.689 nan 8.360 nan 0.000 0.467 242 F N 1.184 121.153 119.950 0.033 0.000 2.259 242 F HA -0.051 4.476 4.527 0.001 0.000 0.298 242 F C 1.715 177.669 175.800 0.258 0.000 1.088 242 F CA 1.009 59.096 58.000 0.146 0.000 1.358 242 F CB 0.108 39.133 39.000 0.042 0.000 1.040 242 F HN -0.089 nan 8.300 nan 0.000 0.505 243 L N -1.605 119.693 121.223 0.126 0.000 2.179 243 L HA -0.135 4.206 4.340 0.001 0.000 0.208 243 L C 2.304 179.239 176.870 0.108 0.000 1.096 243 L CA 0.409 55.259 54.840 0.015 0.000 0.779 243 L CB -0.854 41.184 42.059 -0.035 0.000 0.922 243 L HN 0.055 nan 8.230 nan 0.000 0.443 244 F N 0.047 120.051 119.950 0.089 0.000 2.075 244 F HA -0.247 4.280 4.527 0.001 0.000 0.297 244 F C 2.415 178.249 175.800 0.056 0.000 1.113 244 F CA 1.091 59.137 58.000 0.077 0.000 1.218 244 F CB -1.186 37.873 39.000 0.098 0.000 0.984 244 F HN 0.178 nan 8.300 nan 0.000 0.472 245 W N 1.379 122.770 121.300 0.151 0.000 2.315 245 W HA -0.332 4.328 4.660 0.001 0.000 0.323 245 W C 2.726 179.202 176.519 -0.072 0.000 1.233 245 W CA 3.557 60.915 57.345 0.022 0.000 1.267 245 W CB -0.913 28.546 29.460 -0.001 0.000 1.160 245 W HN -0.070 nan 8.180 nan 0.000 0.474 246 R N 0.709 120.926 120.500 -0.471 0.000 2.096 246 R HA -0.209 4.131 4.340 0.001 0.000 0.240 246 R C 2.230 178.223 176.300 -0.511 0.000 1.139 246 R CA 3.111 58.695 56.100 -0.859 0.000 0.952 246 R CB -2.192 27.805 30.300 -0.503 0.000 0.854 246 R HN 0.584 nan 8.270 nan 0.000 0.436 247 S N 0.223 115.787 115.700 -0.227 0.000 2.442 247 S HA -0.072 4.398 4.470 0.001 0.000 0.236 247 S C 1.983 176.446 174.600 -0.227 0.000 1.007 247 S CA 1.379 59.507 58.200 -0.119 0.000 0.965 247 S CB -0.158 63.109 63.200 0.113 0.000 0.773 247 S HN 0.393 nan 8.310 nan 0.000 0.504 248 L N 0.861 121.906 121.223 -0.297 0.000 2.249 248 L HA 0.297 4.637 4.340 0.001 0.000 0.207 248 L C 2.503 179.088 176.870 -0.475 0.000 1.090 248 L CA 0.847 55.465 54.840 -0.371 0.000 0.802 248 L CB -0.795 41.109 42.059 -0.258 0.000 0.947 248 L HN 0.538 nan 8.230 nan 0.000 0.453 249 C N -0.610 118.392 119.300 -0.496 0.000 2.450 249 C HA -0.085 4.375 4.460 0.001 0.000 0.279 249 C C 2.688 177.515 174.990 -0.271 0.000 1.335 249 C CA 0.543 59.340 59.018 -0.369 0.000 1.749 249 C CB -0.512 26.808 27.740 -0.699 0.000 1.963 249 C HN 0.532 nan 8.230 nan 0.000 0.501 250 M N -0.187 119.224 119.600 -0.316 0.000 2.236 250 M HA -0.052 4.428 4.480 0.001 0.000 0.266 250 M C 2.150 178.332 176.300 -0.197 0.000 1.070 250 M CA 1.448 56.618 55.300 -0.217 0.000 1.137 250 M CB -1.757 30.728 32.600 -0.191 0.000 1.378 250 M HN 0.366 nan 8.290 nan 0.000 0.426 251 T N -0.499 113.894 114.554 -0.268 0.000 2.759 251 T HA -0.181 4.169 4.350 0.001 0.000 0.269 251 T C 1.592 176.163 174.700 -0.214 0.000 1.042 251 T CA 1.505 63.442 62.100 -0.271 0.000 1.140 251 T CB -0.391 68.258 68.868 -0.365 0.000 0.864 251 T HN 0.508 nan 8.240 nan 0.000 0.455 252 H N 0.017 118.992 119.070 -0.157 0.000 2.363 252 H HA 0.164 4.720 4.556 0.001 0.000 0.301 252 H C 2.106 177.324 175.328 -0.183 0.000 1.074 252 H CA 0.827 56.789 56.048 -0.143 0.000 1.354 252 H CB -0.022 29.661 29.762 -0.132 0.000 1.397 252 H HN 0.198 nan 8.280 nan 0.000 0.516 253 L N 0.460 121.648 121.223 -0.059 0.000 2.313 253 L HA -0.073 4.268 4.340 0.001 0.000 0.214 253 L C 2.210 179.011 176.870 -0.116 0.000 1.119 253 L CA 0.784 55.554 54.840 -0.117 0.000 0.809 253 L CB -0.147 41.849 42.059 -0.104 0.000 0.933 253 L HN 0.350 nan 8.230 nan 0.000 0.449 254 S N -0.720 114.917 115.700 -0.104 0.000 2.527 254 S HA -0.119 4.352 4.470 0.001 0.000 0.222 254 S C 1.955 176.504 174.600 -0.086 0.000 0.985 254 S CA 0.169 58.315 58.200 -0.090 0.000 0.921 254 S CB -0.096 63.048 63.200 -0.094 0.000 0.772 254 S HN 0.420 nan 8.310 nan 0.000 0.529 255 R N 0.519 120.964 120.500 -0.091 0.000 2.128 255 R HA 0.289 4.629 4.340 0.001 0.000 0.211 255 R C 2.389 178.631 176.300 -0.095 0.000 1.067 255 R CA 0.685 56.748 56.100 -0.060 0.000 1.010 255 R CB -0.296 30.000 30.300 -0.008 0.000 0.922 255 R HN 0.465 nan 8.270 nan 0.000 0.457 256 M N 0.369 119.814 119.600 -0.257 0.000 2.117 256 M HA -0.097 4.384 4.480 0.001 0.000 0.262 256 M C 1.952 178.215 176.300 -0.063 0.000 1.065 256 M CA 2.074 57.152 55.300 -0.370 0.000 1.114 256 M CB -0.045 32.250 32.600 -0.508 0.000 1.361 256 M HN 0.316 nan 8.290 nan 0.000 0.408 257 A N -0.659 122.118 122.820 -0.072 0.000 2.016 257 A HA -0.155 4.166 4.320 0.001 0.000 0.217 257 A C 1.767 179.319 177.584 -0.054 0.000 1.162 257 A CA 1.702 53.718 52.037 -0.034 0.000 0.662 257 A CB -0.552 18.424 19.000 -0.039 0.000 0.812 257 A HN 0.612 nan 8.150 nan 0.000 0.450 258 E N 0.472 120.629 120.200 -0.071 0.000 2.107 258 E HA -0.164 4.186 4.350 0.001 0.000 0.191 258 E C 1.444 177.941 176.600 -0.170 0.000 0.982 258 E CA 1.428 57.766 56.400 -0.104 0.000 0.809 258 E CB -0.181 29.467 29.700 -0.087 0.000 0.756 258 E HN 0.456 nan 8.360 nan 0.000 0.459 259 D N -0.442 119.880 120.400 -0.130 0.000 2.097 259 D HA -0.121 4.519 4.640 0.001 0.000 0.197 259 D C 1.723 177.705 176.300 -0.531 0.000 0.984 259 D CA 0.671 54.469 54.000 -0.336 0.000 0.826 259 D CB -0.025 40.850 40.800 0.126 0.000 0.973 259 D HN 0.188 nan 8.370 nan 0.000 0.460 260 L N 1.148 122.305 121.223 -0.110 0.000 2.056 260 L HA -0.088 4.253 4.340 0.001 0.000 0.207 260 L C 2.452 179.298 176.870 -0.040 0.000 1.078 260 L CA 1.113 55.966 54.840 0.022 0.000 0.749 260 L CB -1.109 41.050 42.059 0.165 0.000 0.901 260 L HN 0.191 nan 8.230 nan 0.000 0.433 261 I N -4.490 116.026 120.570 -0.091 0.000 2.830 261 I HA -0.172 3.998 4.170 0.001 0.000 0.263 261 I C 2.237 178.247 176.117 -0.179 0.000 1.230 261 I CA 1.034 62.278 61.300 -0.093 0.000 1.480 261 I CB -0.382 37.571 38.000 -0.079 0.000 1.095 261 I HN 0.093 nan 8.210 nan 0.000 0.455 262 L N -0.521 120.514 121.223 -0.313 0.000 2.162 262 L HA -0.009 4.331 4.340 0.001 0.000 0.205 262 L C 2.204 178.729 176.870 -0.576 0.000 1.086 262 L CA 1.043 55.565 54.840 -0.531 0.000 0.778 262 L CB -0.331 41.332 42.059 -0.659 0.000 0.928 262 L HN 0.131 nan 8.230 nan 0.000 0.446 263 Y N -2.422 117.687 120.300 -0.319 0.000 2.439 263 Y HA -0.123 4.427 4.550 0.001 0.000 0.292 263 Y C 2.405 178.260 175.900 -0.075 0.000 1.130 263 Y CA -0.096 57.915 58.100 -0.149 0.000 1.254 263 Y CB -1.131 37.378 38.460 0.082 0.000 1.000 263 Y HN 0.187 nan 8.280 nan 0.000 0.554 264 C N 0.599 119.929 119.300 0.051 0.000 2.613 264 C HA 0.148 4.608 4.460 0.001 0.000 0.273 264 C C 0.923 175.911 174.990 -0.003 0.000 1.304 264 C CA 0.122 59.165 59.018 0.042 0.000 1.702 264 C CB -1.945 25.814 27.740 0.031 0.000 1.792 264 C HN 0.238 nan 8.230 nan 0.000 0.588 265 T N 0.730 115.249 114.554 -0.060 0.000 2.919 265 T HA 0.013 4.364 4.350 0.001 0.000 0.302 265 T C 1.267 175.987 174.700 0.033 0.000 1.031 265 T CA 0.142 62.213 62.100 -0.049 0.000 1.127 265 T CB 1.050 69.833 68.868 -0.141 0.000 0.952 265 T HN 0.459 nan 8.240 nan 0.000 0.540 266 K N 1.580 121.999 120.400 0.032 0.000 2.152 266 K HA -0.174 4.147 4.320 0.001 0.000 0.206 266 K C 1.724 178.368 176.600 0.073 0.000 1.048 266 K CA 1.430 57.747 56.287 0.050 0.000 0.933 266 K CB 0.100 32.621 32.500 0.035 0.000 0.721 266 K HN 0.480 nan 8.250 nan 0.000 0.447 267 E N -0.362 119.891 120.200 0.087 0.000 2.047 267 E HA -0.135 4.215 4.350 0.001 0.000 0.191 267 E C 1.586 178.280 176.600 0.157 0.000 0.987 267 E CA 1.329 57.802 56.400 0.121 0.000 0.799 267 E CB -0.116 29.673 29.700 0.148 0.000 0.752 267 E HN 0.206 nan 8.360 nan 0.000 0.449 268 F N 0.098 119.967 119.950 -0.135 0.000 2.123 268 F HA 0.086 4.613 4.527 0.001 0.000 0.289 268 F C 1.429 177.112 175.800 -0.195 0.000 1.099 268 F CA 1.146 58.955 58.000 -0.319 0.000 1.234 268 F CB -0.398 38.288 39.000 -0.523 0.000 1.034 268 F HN -0.211 nan 8.300 nan 0.000 0.479 269 S N -0.622 115.159 115.700 0.135 0.000 3.682 269 S HA -0.204 4.266 4.470 0.001 0.000 0.354 269 S C 0.900 175.692 174.600 0.320 0.000 1.034 269 S CA 0.127 58.436 58.200 0.181 0.000 1.084 269 S CB -1.670 61.631 63.200 0.169 0.000 0.903 269 S HN 0.194 nan 8.310 nan 0.000 0.470 270 F N 0.662 120.705 119.950 0.154 0.000 2.094 270 F HA 0.209 4.736 4.527 0.001 0.000 0.291 270 F C 1.626 177.381 175.800 -0.074 0.000 1.109 270 F CA 1.286 59.293 58.000 0.011 0.000 1.221 270 F CB -0.902 38.064 39.000 -0.056 0.000 1.014 270 F HN 0.463 nan 8.300 nan 0.000 0.473 271 V N -0.957 119.068 119.914 0.184 0.000 2.667 271 V HA 0.617 4.737 4.120 0.001 0.000 0.308 271 V C -0.856 175.274 176.094 0.060 0.000 1.048 271 V CA -0.895 61.436 62.300 0.052 0.000 0.928 271 V CB 1.641 33.523 31.823 0.099 0.000 1.004 271 V HN 0.180 nan 8.190 nan 0.000 0.444 272 Q N 2.832 122.635 119.800 0.006 0.000 2.333 272 Q HA 0.638 4.978 4.340 0.001 0.000 0.267 272 Q C -0.924 175.089 176.000 0.022 0.000 1.012 272 Q CA -0.597 55.204 55.803 -0.003 0.000 0.824 272 Q CB 2.685 31.376 28.738 -0.077 0.000 1.290 272 Q HN 0.769 nan 8.270 nan 0.000 0.449 273 L N 0.824 122.073 121.223 0.044 0.000 2.453 273 L HA 0.214 4.555 4.340 0.001 0.000 0.261 273 L C 0.478 177.392 176.870 0.073 0.000 1.179 273 L CA -0.049 54.836 54.840 0.073 0.000 0.813 273 L CB 1.158 43.269 42.059 0.085 0.000 1.110 273 L HN 0.560 nan 8.230 nan 0.000 0.466 274 S N 0.270 116.043 115.700 0.121 0.000 2.549 274 S HA 0.012 4.482 4.470 0.001 0.000 0.279 274 S C 0.491 175.148 174.600 0.096 0.000 1.321 274 S CA -0.651 57.624 58.200 0.125 0.000 1.054 274 S CB 0.329 63.665 63.200 0.227 0.000 0.899 274 S HN 0.557 nan 8.310 nan 0.000 0.497 275 D N 3.828 124.258 120.400 0.049 0.000 2.355 275 D HA 0.169 4.809 4.640 0.001 0.000 0.253 275 D C 1.073 177.367 176.300 -0.009 0.000 1.187 275 D CA 0.362 54.374 54.000 0.020 0.000 0.900 275 D CB 0.191 40.995 40.800 0.008 0.000 0.915 275 D HN 0.564 nan 8.370 nan 0.000 0.516 276 A N -0.792 122.017 122.820 -0.018 0.000 2.026 276 A HA 0.042 4.362 4.320 0.001 0.000 0.198 276 A C 0.932 178.336 177.584 -0.300 0.000 1.390 276 A CA -0.098 51.852 52.037 -0.144 0.000 0.915 276 A CB 0.062 18.982 19.000 -0.134 0.000 0.974 276 A HN 0.123 nan 8.150 nan 0.000 0.477 277 Y N 0.637 120.949 120.300 0.021 0.000 2.683 277 Y HA 0.518 5.068 4.550 0.001 0.000 0.297 277 Y C 0.684 176.596 175.900 0.021 0.000 1.147 277 Y CA 0.087 58.201 58.100 0.024 0.000 1.274 277 Y CB 0.398 38.878 38.460 0.033 0.000 1.143 277 Y HN 0.172 nan 8.280 nan 0.000 0.527 278 S N -0.808 114.929 115.700 0.062 0.000 2.549 278 S HA 0.481 4.952 4.470 0.001 0.000 0.280 278 S C -0.253 174.355 174.600 0.013 0.000 1.109 278 S CA -0.550 57.680 58.200 0.050 0.000 0.905 278 S CB 1.163 64.394 63.200 0.051 0.000 1.081 278 S HN 0.035 nan 8.310 nan 0.000 0.477 279 T N 2.354 116.916 114.554 0.014 0.000 2.897 279 T HA 0.433 4.784 4.350 0.001 0.000 0.294 279 T C 0.741 175.442 174.700 0.001 0.000 1.004 279 T CA -0.049 62.053 62.100 0.003 0.000 1.106 279 T CB 0.710 69.581 68.868 0.005 0.000 0.949 279 T HN 0.785 nan 8.240 nan 0.000 0.520 280 G N 1.928 110.725 108.800 -0.004 0.000 2.202 280 G HA2 0.286 4.246 3.960 0.001 0.000 0.251 280 G HA3 0.286 4.246 3.960 0.001 0.000 0.251 280 G C -0.026 174.874 174.900 -0.001 0.000 1.219 280 G CA -0.162 44.936 45.100 -0.003 0.000 0.943 280 G HN 0.615 nan 8.290 nan 0.000 0.465 281 S N 1.775 117.475 115.700 0.000 0.000 2.596 281 S HA 0.705 5.176 4.470 0.001 0.000 0.318 281 S C 0.130 174.731 174.600 0.001 0.000 1.097 281 S CA -0.632 57.569 58.200 0.002 0.000 1.080 281 S CB 1.044 64.246 63.200 0.003 0.000 0.991 281 S HN 0.605 nan 8.310 nan 0.000 0.471 282 S N 3.701 119.402 115.700 0.001 0.000 2.726 282 S HA 0.633 5.104 4.470 0.001 0.000 0.308 282 S C 0.729 175.330 174.600 0.002 0.000 1.115 282 S CA -0.946 57.255 58.200 0.001 0.000 0.965 282 S CB 1.044 64.245 63.200 0.001 0.000 1.145 282 S HN 0.911 nan 8.310 nan 0.000 0.532 283 L N -1.075 120.149 121.223 0.002 0.000 4.999 283 L HA -0.255 4.085 4.340 0.001 0.000 0.449 283 L C 0.260 177.132 176.870 0.004 0.000 1.079 283 L CA 1.523 56.365 54.840 0.003 0.000 0.950 283 L CB -1.585 40.476 42.059 0.003 0.000 1.809 283 L HN 0.822 nan 8.230 nan 0.000 0.855 284 M N -5.522 114.080 119.600 0.005 0.000 4.445 284 M HA 0.356 4.836 4.480 0.001 0.000 0.516 284 M C -2.435 173.869 176.300 0.006 0.000 2.177 284 M CA -1.218 54.086 55.300 0.006 0.000 0.440 284 M CB 0.704 33.307 32.600 0.006 0.000 1.599 284 M HN -0.345 nan 8.290 nan 0.000 0.571 285 P HA -0.123 nan 4.420 nan 0.000 0.229 285 P C 1.171 178.475 177.300 0.007 0.000 1.150 285 P CA 1.129 64.232 63.100 0.005 0.000 0.765 285 P CB 0.080 31.782 31.700 0.004 0.000 0.783 286 Q N -0.682 119.124 119.800 0.010 0.000 2.364 286 Q HA -0.075 4.265 4.340 0.001 0.000 0.207 286 Q C 0.914 176.922 176.000 0.014 0.000 0.970 286 Q CA 0.920 56.731 55.803 0.014 0.000 0.888 286 Q CB -0.293 28.455 28.738 0.017 0.000 0.951 286 Q HN 0.359 nan 8.270 nan 0.000 0.469 287 K N 1.879 122.285 120.400 0.010 0.000 2.307 287 K HA 0.091 4.411 4.320 0.001 0.000 0.240 287 K C -0.455 176.150 176.600 0.008 0.000 1.214 287 K CA -0.060 56.232 56.287 0.009 0.000 1.149 287 K CB 0.018 32.522 32.500 0.007 0.000 1.668 287 K HN -0.064 nan 8.250 nan 0.000 0.314 288 K N 2.076 122.482 120.400 0.010 0.000 2.034 288 K HA -0.020 4.301 4.320 0.001 0.000 0.225 288 K C -0.011 176.597 176.600 0.014 0.000 1.190 288 K CA -0.021 56.273 56.287 0.011 0.000 1.152 288 K CB -0.233 32.273 32.500 0.010 0.000 1.300 288 K HN 0.324 nan 8.250 nan 0.000 0.268 289 N N 3.586 122.293 118.700 0.011 0.000 2.429 289 N HA 0.026 4.766 4.740 0.001 0.000 0.271 289 N C -2.461 173.059 175.510 0.017 0.000 1.272 289 N CA -1.113 51.943 53.050 0.010 0.000 0.921 289 N CB 0.654 39.145 38.487 0.006 0.000 1.128 289 N HN 0.130 nan 8.380 nan 0.000 0.481 290 P HA 0.149 nan 4.420 nan 0.000 0.271 290 P C -0.287 177.028 177.300 0.025 0.000 1.233 290 P CA 0.093 63.210 63.100 0.029 0.000 0.789 290 P CB 0.903 32.613 31.700 0.017 0.000 0.951 291 D N -2.070 118.353 120.400 0.038 0.000 1.825 291 D HA -0.057 4.584 4.640 0.001 0.000 0.468 291 D C 1.535 177.864 176.300 0.048 0.000 1.150 291 D CA 0.224 54.244 54.000 0.033 0.000 1.197 291 D CB -0.535 40.283 40.800 0.029 0.000 2.044 291 D HN 0.116 nan 8.370 nan 0.000 0.452 292 S N 0.372 116.122 115.700 0.083 0.000 2.370 292 S HA -0.104 4.367 4.470 0.001 0.000 0.226 292 S C 1.730 176.373 174.600 0.071 0.000 1.033 292 S CA 0.860 59.128 58.200 0.114 0.000 1.011 292 S CB -0.204 63.133 63.200 0.229 0.000 0.852 292 S HN 0.293 nan 8.310 nan 0.000 0.457 293 L N 0.726 121.983 121.223 0.057 0.000 2.660 293 L HA 0.161 4.501 4.340 0.001 0.000 0.238 293 L C 1.911 178.784 176.870 0.006 0.000 1.161 293 L CA 0.464 55.321 54.840 0.028 0.000 0.937 293 L CB -0.200 41.879 42.059 0.033 0.000 1.122 293 L HN 0.288 nan 8.230 nan 0.000 0.435 294 E N -0.619 119.587 120.200 0.010 0.000 2.367 294 E HA -0.026 4.325 4.350 0.001 0.000 0.204 294 E C 1.860 178.460 176.600 -0.000 0.000 0.840 294 E CA 0.199 56.598 56.400 -0.003 0.000 1.051 294 E CB 0.222 29.921 29.700 -0.001 0.000 1.051 294 E HN 0.355 nan 8.360 nan 0.000 0.509 295 L N 0.368 121.599 121.223 0.013 0.000 2.141 295 L HA 0.003 4.344 4.340 0.001 0.000 0.209 295 L C 1.868 178.741 176.870 0.005 0.000 1.094 295 L CA 1.557 56.405 54.840 0.014 0.000 0.763 295 L CB -0.379 41.696 42.059 0.028 0.000 0.908 295 L HN 0.018 nan 8.230 nan 0.000 0.437 296 I N -0.269 120.302 120.570 0.002 0.000 2.315 296 I HA -0.189 3.982 4.170 0.001 0.000 0.248 296 I C 2.858 178.956 176.117 -0.032 0.000 1.117 296 I CA 1.375 62.666 61.300 -0.015 0.000 1.404 296 I CB -0.325 37.665 38.000 -0.017 0.000 1.071 296 I HN 0.352 nan 8.210 nan 0.000 0.419 297 R N 0.910 121.391 120.500 -0.030 0.000 2.119 297 R HA -0.117 4.223 4.340 0.001 0.000 0.222 297 R C 2.541 178.820 176.300 -0.034 0.000 1.088 297 R CA 1.434 57.509 56.100 -0.041 0.000 0.984 297 R CB -0.006 30.268 30.300 -0.042 0.000 0.884 297 R HN 0.422 nan 8.270 nan 0.000 0.447 298 S N 0.737 116.424 115.700 -0.021 0.000 2.368 298 S HA -0.092 4.378 4.470 0.001 0.000 0.225 298 S C 1.628 176.222 174.600 -0.009 0.000 1.030 298 S CA 0.703 58.896 58.200 -0.012 0.000 0.999 298 S CB -0.120 63.078 63.200 -0.004 0.000 0.844 298 S HN 0.185 nan 8.310 nan 0.000 0.459 299 K N 2.232 122.624 120.400 -0.013 0.000 2.281 299 K HA 0.093 4.414 4.320 0.001 0.000 0.203 299 K C 2.349 178.939 176.600 -0.017 0.000 1.046 299 K CA 1.065 57.345 56.287 -0.012 0.000 0.938 299 K CB -1.323 31.165 32.500 -0.020 0.000 0.737 299 K HN 0.536 nan 8.250 nan 0.000 0.458 300 A N 1.120 123.920 122.820 -0.034 0.000 1.929 300 A HA -0.204 4.116 4.320 0.001 0.000 0.221 300 A C 2.431 180.025 177.584 0.015 0.000 1.211 300 A CA 2.486 54.494 52.037 -0.049 0.000 0.657 300 A CB -1.080 17.875 19.000 -0.075 0.000 0.827 300 A HN 0.433 nan 8.150 nan 0.000 0.462 301 G N -2.305 106.529 108.800 0.056 0.000 2.744 301 G HA2 0.048 4.008 3.960 0.001 0.000 0.211 301 G HA3 0.048 4.008 3.960 0.001 0.000 0.211 301 G C 1.529 176.502 174.900 0.122 0.000 1.146 301 G CA 0.621 45.823 45.100 0.170 0.000 0.787 301 G HN 0.508 nan 8.290 nan 0.000 0.534 302 R N 0.035 120.568 120.500 0.056 0.000 2.153 302 R HA 0.073 4.413 4.340 0.001 0.000 0.218 302 R C 2.106 178.419 176.300 0.023 0.000 1.072 302 R CA 0.709 56.826 56.100 0.029 0.000 0.990 302 R CB 0.059 30.370 30.300 0.018 0.000 0.889 302 R HN 0.269 nan 8.270 nan 0.000 0.452 303 V N 0.249 120.182 119.914 0.032 0.000 2.446 303 V HA -0.145 3.975 4.120 0.001 0.000 0.244 303 V C 1.806 177.935 176.094 0.058 0.000 1.039 303 V CA 1.143 63.451 62.300 0.012 0.000 1.045 303 V CB -0.542 31.259 31.823 -0.038 0.000 0.681 303 V HN 0.267 nan 8.190 nan 0.000 0.459 304 F N 2.534 122.447 119.950 -0.063 0.000 2.234 304 F HA 0.073 4.601 4.527 0.001 0.000 0.299 304 F C 2.073 177.858 175.800 -0.026 0.000 1.087 304 F CA 1.146 59.119 58.000 -0.044 0.000 1.340 304 F CB -0.877 38.093 39.000 -0.049 0.000 1.031 304 F HN 0.117 nan 8.300 nan 0.000 0.500 305 G N 0.410 109.121 108.800 -0.147 0.000 2.491 305 G HA2 -0.354 3.607 3.960 0.001 0.000 0.218 305 G HA3 -0.354 3.607 3.960 0.001 0.000 0.218 305 G C 1.787 176.543 174.900 -0.241 0.000 1.180 305 G CA 0.956 45.902 45.100 -0.255 0.000 0.774 305 G HN 0.264 nan 8.290 nan 0.000 0.562 306 R N -0.268 120.152 120.500 -0.133 0.000 2.096 306 R HA -0.014 4.326 4.340 0.001 0.000 0.235 306 R C 2.552 178.771 176.300 -0.134 0.000 1.127 306 R CA 1.136 57.172 56.100 -0.106 0.000 0.968 306 R CB -1.348 28.924 30.300 -0.047 0.000 0.861 306 R HN 0.420 nan 8.270 nan 0.000 0.440 307 C N -0.658 118.557 119.300 -0.141 0.000 2.446 307 C HA 0.123 4.583 4.460 0.001 0.000 0.277 307 C C 2.586 177.463 174.990 -0.188 0.000 1.275 307 C CA 0.855 59.801 59.018 -0.121 0.000 1.727 307 C CB -1.134 26.614 27.740 0.013 0.000 2.010 307 C HN 0.578 nan 8.230 nan 0.000 0.486 308 A N -0.153 122.435 122.820 -0.387 0.000 2.125 308 A HA 0.121 4.442 4.320 0.001 0.000 0.219 308 A C 2.216 179.659 177.584 -0.234 0.000 1.156 308 A CA 2.031 53.818 52.037 -0.417 0.000 0.671 308 A CB -0.937 17.598 19.000 -0.775 0.000 0.794 308 A HN 0.719 nan 8.150 nan 0.000 0.459 309 G N -1.007 107.673 108.800 -0.199 0.000 2.497 309 G HA2 0.037 3.998 3.960 0.001 0.000 0.210 309 G HA3 0.037 3.998 3.960 0.001 0.000 0.210 309 G C 1.375 176.205 174.900 -0.117 0.000 1.177 309 G CA 0.482 45.499 45.100 -0.139 0.000 0.822 309 G HN 0.309 nan 8.290 nan 0.000 0.550 310 L N 0.135 121.284 121.223 -0.124 0.000 2.197 310 L HA -0.005 4.335 4.340 0.001 0.000 0.215 310 L C 2.539 179.333 176.870 -0.125 0.000 1.095 310 L CA 1.461 56.225 54.840 -0.126 0.000 0.764 310 L CB -0.334 41.639 42.059 -0.143 0.000 0.897 310 L HN 0.201 nan 8.230 nan 0.000 0.436 311 L N -1.269 119.884 121.223 -0.116 0.000 2.249 311 L HA -0.090 4.250 4.340 0.001 0.000 0.207 311 L C 2.485 179.319 176.870 -0.059 0.000 1.090 311 L CA 1.005 55.793 54.840 -0.085 0.000 0.802 311 L CB -0.137 41.896 42.059 -0.044 0.000 0.947 311 L HN 0.191 nan 8.230 nan 0.000 0.453 312 M N -1.664 117.897 119.600 -0.065 0.000 2.288 312 M HA -0.144 4.337 4.480 0.001 0.000 0.266 312 M C 1.895 178.159 176.300 -0.060 0.000 1.072 312 M CA 1.360 56.627 55.300 -0.054 0.000 1.132 312 M CB -0.027 32.538 32.600 -0.059 0.000 1.386 312 M HN 0.171 nan 8.290 nan 0.000 0.432 313 T N 2.229 116.739 114.554 -0.073 0.000 2.803 313 T HA -0.072 4.279 4.350 0.001 0.000 0.269 313 T C 1.164 175.821 174.700 -0.072 0.000 1.052 313 T CA 1.049 63.103 62.100 -0.076 0.000 1.136 313 T CB -0.271 68.546 68.868 -0.086 0.000 0.864 313 T HN 0.433 nan 8.240 nan 0.000 0.467 314 L N 0.200 121.383 121.223 -0.068 0.000 3.096 314 L HA 0.505 4.845 4.340 0.001 0.000 0.247 314 L C 1.210 178.055 176.870 -0.042 0.000 1.321 314 L CA -0.144 54.661 54.840 -0.058 0.000 1.044 314 L CB -0.451 41.572 42.059 -0.060 0.000 1.434 314 L HN 0.043 nan 8.230 nan 0.000 0.533 315 K N 2.062 122.439 120.400 -0.038 0.000 2.209 315 K HA -0.019 4.301 4.320 0.001 0.000 0.204 315 K C 0.614 177.203 176.600 -0.019 0.000 1.048 315 K CA 1.330 57.602 56.287 -0.024 0.000 0.940 315 K CB 0.305 32.791 32.500 -0.023 0.000 0.729 315 K HN 0.661 nan 8.250 nan 0.000 0.451 316 G N 1.365 110.150 108.800 -0.024 0.000 4.144 316 G HA2 0.205 4.165 3.960 0.001 0.000 0.261 316 G HA3 0.205 4.165 3.960 0.001 0.000 0.261 316 G C -1.096 173.788 174.900 -0.026 0.000 3.644 316 G CA -0.718 44.370 45.100 -0.019 0.000 0.583 316 G HN 0.038 nan 8.290 nan 0.000 0.247 317 L N 2.589 123.794 121.223 -0.030 0.000 2.281 317 L HA 0.321 4.661 4.340 0.001 0.000 0.285 317 L C -0.054 176.800 176.870 -0.027 0.000 1.074 317 L CA -1.708 53.109 54.840 -0.038 0.000 0.817 317 L CB 1.190 43.219 42.059 -0.050 0.000 1.168 317 L HN 0.273 nan 8.230 nan 0.000 0.434 318 P HA -0.171 nan 4.420 nan 0.000 0.203 318 P C 0.524 177.818 177.300 -0.010 0.000 1.087 318 P CA 1.280 64.370 63.100 -0.018 0.000 0.952 318 P CB 0.091 31.779 31.700 -0.021 0.000 0.758 319 S N -2.229 113.465 115.700 -0.009 0.000 2.855 319 S HA 0.343 4.814 4.470 0.001 0.000 0.308 319 S C -0.263 174.348 174.600 0.019 0.000 1.077 319 S CA -0.633 57.571 58.200 0.005 0.000 0.896 319 S CB 0.177 63.383 63.200 0.009 0.000 1.339 319 S HN 0.142 nan 8.310 nan 0.000 0.602 320 T N 2.145 116.722 114.554 0.039 0.000 2.866 320 T HA 0.086 4.436 4.350 0.001 0.000 0.293 320 T C -0.364 174.415 174.700 0.132 0.000 1.005 320 T CA 0.946 63.092 62.100 0.077 0.000 1.162 320 T CB -1.197 67.712 68.868 0.068 0.000 0.968 320 T HN 0.842 nan 8.240 nan 0.000 0.530 321 Y N 3.448 123.744 120.300 -0.007 0.000 2.783 321 Y HA -0.301 4.250 4.550 0.001 0.000 0.143 321 Y C 0.079 175.971 175.900 -0.013 0.000 1.735 321 Y CA 0.151 58.245 58.100 -0.009 0.000 1.154 321 Y CB -1.125 37.329 38.460 -0.010 0.000 1.768 321 Y HN 0.704 nan 8.280 nan 0.000 0.305 322 N N 4.263 122.709 118.700 -0.423 0.000 2.482 322 N HA 0.158 4.898 4.740 0.001 0.000 0.279 322 N C 0.909 175.988 175.510 -0.719 0.000 1.182 322 N CA -0.420 52.384 53.050 -0.410 0.000 0.969 322 N CB 1.481 39.841 38.487 -0.212 0.000 1.201 322 N HN 0.470 nan 8.380 nan 0.000 0.523 323 K N 0.950 121.068 120.400 -0.470 0.000 2.217 323 K HA -0.078 4.243 4.320 0.001 0.000 0.202 323 K C 0.529 176.959 176.600 -0.283 0.000 1.051 323 K CA 1.196 57.244 56.287 -0.398 0.000 0.952 323 K CB -0.107 32.275 32.500 -0.197 0.000 0.736 323 K HN 0.438 nan 8.250 nan 0.000 0.453 324 D N 0.251 120.510 120.400 -0.235 0.000 2.191 324 D HA -0.223 4.417 4.640 0.001 0.000 0.190 324 D C 1.136 177.351 176.300 -0.141 0.000 1.007 324 D CA 1.527 55.429 54.000 -0.164 0.000 0.865 324 D CB -0.219 40.496 40.800 -0.142 0.000 0.929 324 D HN 0.104 nan 8.370 nan 0.000 0.447 325 L N 0.872 121.997 121.223 -0.165 0.000 2.661 325 L HA -0.142 4.199 4.340 0.001 0.000 0.236 325 L C 1.867 178.727 176.870 -0.017 0.000 1.176 325 L CA 1.077 55.866 54.840 -0.084 0.000 0.836 325 L CB -0.711 41.320 42.059 -0.047 0.000 0.960 325 L HN 0.086 nan 8.230 nan 0.000 0.455 326 Q N -0.362 119.426 119.800 -0.021 0.000 2.541 326 Q HA -0.179 4.161 4.340 0.001 0.000 0.215 326 Q C 1.718 177.733 176.000 0.024 0.000 0.977 326 Q CA 0.493 56.328 55.803 0.052 0.000 0.934 326 Q CB 0.081 28.863 28.738 0.073 0.000 0.988 326 Q HN 0.530 nan 8.270 nan 0.000 0.521 327 E N 0.969 121.151 120.200 -0.030 0.000 2.358 327 E HA -0.125 4.225 4.350 0.001 0.000 0.195 327 E C 1.281 177.845 176.600 -0.060 0.000 1.010 327 E CA 0.754 57.116 56.400 -0.064 0.000 0.856 327 E CB 0.159 29.811 29.700 -0.080 0.000 0.795 327 E HN 0.388 nan 8.360 nan 0.000 0.504 328 D N 0.465 120.841 120.400 -0.041 0.000 2.182 328 D HA -0.232 4.408 4.640 0.001 0.000 0.201 328 D C 1.322 177.585 176.300 -0.061 0.000 0.986 328 D CA 1.188 55.144 54.000 -0.073 0.000 0.847 328 D CB -0.111 40.653 40.800 -0.060 0.000 0.942 328 D HN 0.144 nan 8.370 nan 0.000 0.467 329 K N 0.432 120.840 120.400 0.013 0.000 1.991 329 K HA -0.014 4.307 4.320 0.001 0.000 0.208 329 K C 2.372 179.098 176.600 0.210 0.000 1.038 329 K CA 0.926 57.259 56.287 0.077 0.000 0.943 329 K CB -0.079 32.640 32.500 0.364 0.000 0.736 329 K HN 0.056 nan 8.250 nan 0.000 0.440 330 E N 0.596 120.840 120.200 0.073 0.000 2.169 330 E HA -0.282 4.068 4.350 0.001 0.000 0.202 330 E C 1.944 178.618 176.600 0.125 0.000 1.016 330 E CA 1.387 57.802 56.400 0.025 0.000 0.817 330 E CB -0.170 29.356 29.700 -0.290 0.000 0.736 330 E HN 0.368 nan 8.360 nan 0.000 0.462 331 A N 0.653 123.500 122.820 0.045 0.000 1.872 331 A HA -0.100 4.220 4.320 0.001 0.000 0.214 331 A C 2.356 180.004 177.584 0.106 0.000 1.187 331 A CA 1.163 53.227 52.037 0.045 0.000 0.614 331 A CB -0.542 18.446 19.000 -0.020 0.000 0.826 331 A HN 0.222 nan 8.150 nan 0.000 0.442 332 V N -1.328 118.632 119.914 0.077 0.000 3.217 332 V HA -0.041 4.079 4.120 0.001 0.000 0.264 332 V C 1.895 178.137 176.094 0.247 0.000 1.135 332 V CA 1.229 63.623 62.300 0.156 0.000 1.142 332 V CB -0.796 31.043 31.823 0.027 0.000 0.754 332 V HN 0.468 nan 8.190 nan 0.000 0.484 333 F N 0.521 120.607 119.950 0.227 0.000 2.293 333 F HA 0.058 4.585 4.527 0.001 0.000 0.297 333 F C 2.387 178.314 175.800 0.212 0.000 1.089 333 F CA 1.693 59.851 58.000 0.264 0.000 1.377 333 F CB -0.189 38.946 39.000 0.224 0.000 1.051 333 F HN 0.239 nan 8.300 nan 0.000 0.511 334 E N -0.096 120.303 120.200 0.331 0.000 2.086 334 E HA -0.084 4.267 4.350 0.001 0.000 0.190 334 E C 2.235 178.941 176.600 0.175 0.000 0.975 334 E CA 0.763 57.289 56.400 0.210 0.000 0.813 334 E CB 0.093 29.874 29.700 0.135 0.000 0.768 334 E HN 0.128 nan 8.360 nan 0.000 0.457 335 V N 1.339 121.357 119.914 0.172 0.000 2.626 335 V HA -0.206 3.914 4.120 0.001 0.000 0.252 335 V C 2.436 178.634 176.094 0.173 0.000 1.067 335 V CA 1.835 64.208 62.300 0.122 0.000 1.081 335 V CB -0.261 31.612 31.823 0.083 0.000 0.686 335 V HN 0.345 nan 8.190 nan 0.000 0.468 336 S N -0.225 115.664 115.700 0.315 0.000 2.425 336 S HA -0.166 4.304 4.470 0.001 0.000 0.225 336 S C 1.665 176.411 174.600 0.243 0.000 1.024 336 S CA 1.289 59.707 58.200 0.364 0.000 0.951 336 S CB -0.357 63.130 63.200 0.477 0.000 0.796 336 S HN 0.561 nan 8.310 nan 0.000 0.498 337 D N 1.168 121.706 120.400 0.230 0.000 2.277 337 D HA 0.034 4.674 4.640 0.001 0.000 0.208 337 D C 1.704 178.075 176.300 0.119 0.000 0.962 337 D CA 1.237 55.339 54.000 0.170 0.000 0.865 337 D CB -0.124 40.781 40.800 0.174 0.000 0.939 337 D HN 0.452 nan 8.370 nan 0.000 0.510 338 T N -0.105 114.513 114.554 0.107 0.000 2.809 338 T HA -0.060 4.291 4.350 0.001 0.000 0.260 338 T C 1.850 176.580 174.700 0.049 0.000 1.039 338 T CA 0.565 62.704 62.100 0.065 0.000 1.141 338 T CB -0.008 68.887 68.868 0.044 0.000 0.869 338 T HN 0.095 nan 8.240 nan 0.000 0.437 339 M N 2.178 121.810 119.600 0.053 0.000 2.067 339 M HA -0.065 4.415 4.480 0.001 0.000 0.260 339 M C 2.819 179.166 176.300 0.078 0.000 1.069 339 M CA 1.739 57.063 55.300 0.040 0.000 1.117 339 M CB -1.635 31.004 32.600 0.065 0.000 1.334 339 M HN 0.416 nan 8.290 nan 0.000 0.407 340 S N 0.376 116.141 115.700 0.109 0.000 2.400 340 S HA -0.068 4.403 4.470 0.001 0.000 0.232 340 S C 2.047 176.686 174.600 0.065 0.000 1.025 340 S CA 1.348 59.600 58.200 0.086 0.000 0.993 340 S CB -0.537 62.706 63.200 0.072 0.000 0.808 340 S HN 0.424 nan 8.310 nan 0.000 0.478 341 A N 1.272 124.132 122.820 0.065 0.000 1.874 341 A HA 0.232 4.553 4.320 0.001 0.000 0.214 341 A C 2.416 180.031 177.584 0.052 0.000 1.189 341 A CA 1.171 53.245 52.037 0.060 0.000 0.615 341 A CB -1.021 18.017 19.000 0.063 0.000 0.830 341 A HN 0.430 nan 8.150 nan 0.000 0.443 342 V N 0.458 120.395 119.914 0.039 0.000 2.332 342 V HA -0.264 3.856 4.120 0.001 0.000 0.248 342 V C 2.540 178.643 176.094 0.015 0.000 1.055 342 V CA 1.933 64.246 62.300 0.023 0.000 1.038 342 V CB -0.766 31.054 31.823 -0.004 0.000 0.651 342 V HN 0.561 nan 8.190 nan 0.000 0.450 343 L N -0.543 120.689 121.223 0.016 0.000 2.187 343 L HA -0.245 4.096 4.340 0.001 0.000 0.213 343 L C 2.652 179.534 176.870 0.020 0.000 1.100 343 L CA 1.513 56.362 54.840 0.015 0.000 0.765 343 L CB -0.483 41.599 42.059 0.038 0.000 0.904 343 L HN 0.450 nan 8.230 nan 0.000 0.437 344 Q N -0.993 118.828 119.800 0.035 0.000 2.137 344 Q HA -0.121 4.220 4.340 0.001 0.000 0.198 344 Q C 2.322 178.340 176.000 0.029 0.000 0.960 344 Q CA 1.049 56.876 55.803 0.040 0.000 0.847 344 Q CB -0.004 28.769 28.738 0.059 0.000 0.915 344 Q HN 0.355 nan 8.270 nan 0.000 0.448 345 V N 1.029 120.970 119.914 0.045 0.000 2.626 345 V HA -0.212 3.908 4.120 0.001 0.000 0.252 345 V C 2.174 178.220 176.094 -0.079 0.000 1.067 345 V CA 1.656 63.983 62.300 0.045 0.000 1.081 345 V CB -0.714 31.181 31.823 0.120 0.000 0.686 345 V HN 0.347 nan 8.190 nan 0.000 0.468 346 A N -0.185 122.605 122.820 -0.049 0.000 1.929 346 A HA -0.156 4.165 4.320 0.001 0.000 0.216 346 A C 2.382 179.918 177.584 -0.081 0.000 1.176 346 A CA 2.184 54.182 52.037 -0.065 0.000 0.628 346 A CB -0.683 18.289 19.000 -0.047 0.000 0.816 346 A HN 0.494 nan 8.150 nan 0.000 0.444 347 T N -0.342 114.173 114.554 -0.065 0.000 2.896 347 T HA 0.030 4.381 4.350 0.001 0.000 0.263 347 T C 1.907 176.536 174.700 -0.118 0.000 1.050 347 T CA 1.056 63.123 62.100 -0.055 0.000 1.140 347 T CB -0.461 68.398 68.868 -0.014 0.000 0.877 347 T HN 0.534 nan 8.240 nan 0.000 0.457 348 G N 0.559 109.238 108.800 -0.202 0.000 2.535 348 G HA2 -0.055 3.905 3.960 0.001 0.000 0.218 348 G HA3 -0.055 3.905 3.960 0.001 0.000 0.218 348 G C 1.430 175.828 174.900 -0.837 0.000 1.122 348 G CA 0.440 45.266 45.100 -0.457 0.000 0.769 348 G HN 0.437 nan 8.290 nan 0.000 0.549 349 V N 0.477 120.088 119.914 -0.505 0.000 2.922 349 V HA 0.120 4.240 4.120 0.001 0.000 0.242 349 V C 2.494 178.533 176.094 -0.091 0.000 1.094 349 V CA 0.143 62.243 62.300 -0.332 0.000 1.106 349 V CB 0.103 31.825 31.823 -0.169 0.000 0.799 349 V HN 0.192 nan 8.190 nan 0.000 0.474 350 I N 1.467 122.012 120.570 -0.042 0.000 2.315 350 I HA -0.145 4.025 4.170 0.001 0.000 0.248 350 I C 2.643 178.804 176.117 0.072 0.000 1.117 350 I CA 2.135 63.472 61.300 0.061 0.000 1.404 350 I CB -1.106 36.920 38.000 0.043 0.000 1.071 350 I HN 0.489 nan 8.210 nan 0.000 0.419 351 S N 0.136 115.843 115.700 0.012 0.000 2.395 351 S HA -0.124 4.346 4.470 0.001 0.000 0.225 351 S C 2.019 176.645 174.600 0.044 0.000 1.027 351 S CA 1.359 59.579 58.200 0.034 0.000 0.965 351 S CB -1.046 62.162 63.200 0.015 0.000 0.812 351 S HN 0.571 nan 8.310 nan 0.000 0.482 352 T N 0.780 115.344 114.554 0.017 0.000 2.812 352 T HA 0.097 4.447 4.350 0.001 0.000 0.264 352 T C 0.787 175.527 174.700 0.066 0.000 1.042 352 T CA 0.075 62.208 62.100 0.055 0.000 1.140 352 T CB -1.184 67.744 68.868 0.101 0.000 0.870 352 T HN 0.252 nan 8.240 nan 0.000 0.445 353 L N 2.484 123.752 121.223 0.074 0.000 2.987 353 L HA -0.087 4.253 4.340 0.001 0.000 0.308 353 L C 0.333 177.241 176.870 0.063 0.000 1.140 353 L CA 0.879 55.781 54.840 0.103 0.000 0.889 353 L CB -0.427 41.750 42.059 0.196 0.000 1.285 353 L HN 0.489 nan 8.230 nan 0.000 0.500 354 Q N 6.159 125.971 119.800 0.020 0.000 2.322 354 Q HA 0.497 4.838 4.340 0.001 0.000 0.265 354 Q C -0.857 175.085 176.000 -0.098 0.000 0.985 354 Q CA -0.774 55.007 55.803 -0.038 0.000 0.849 354 Q CB 1.226 29.942 28.738 -0.037 0.000 1.274 354 Q HN 0.702 nan 8.270 nan 0.000 0.449 355 I N 0.485 120.949 120.570 -0.176 0.000 2.412 355 I HA 0.366 4.536 4.170 0.001 0.000 0.296 355 I C -0.303 175.743 176.117 -0.117 0.000 0.987 355 I CA -0.991 60.151 61.300 -0.263 0.000 1.180 355 I CB 1.319 38.956 38.000 -0.606 0.000 1.340 355 I HN 0.496 nan 8.210 nan 0.000 0.455 356 H N 5.081 124.049 119.070 -0.170 0.000 2.914 356 H HA 0.234 4.790 4.556 0.001 0.000 0.264 356 H C 0.711 175.951 175.328 -0.148 0.000 1.433 356 H CA -0.169 55.813 56.048 -0.110 0.000 1.342 356 H CB 0.720 30.463 29.762 -0.032 0.000 1.582 356 H HN 0.736 nan 8.280 nan 0.000 0.525 357 Q N 2.089 121.848 119.800 -0.068 0.000 2.062 357 Q HA -0.241 4.099 4.340 0.001 0.000 0.209 357 Q C 1.508 177.406 176.000 -0.170 0.000 0.996 357 Q CA 2.365 58.072 55.803 -0.159 0.000 0.859 357 Q CB 0.215 28.880 28.738 -0.122 0.000 0.920 357 Q HN 0.684 nan 8.270 nan 0.000 0.415 358 E N 0.562 120.642 120.200 -0.198 0.000 2.058 358 E HA -0.206 4.144 4.350 0.001 0.000 0.194 358 E C 1.748 178.244 176.600 -0.172 0.000 0.997 358 E CA 1.481 57.768 56.400 -0.188 0.000 0.801 358 E CB -0.182 29.382 29.700 -0.227 0.000 0.746 358 E HN 0.366 nan 8.360 nan 0.000 0.450 359 N N 0.531 119.113 118.700 -0.196 0.000 2.094 359 N HA -0.178 4.562 4.740 0.001 0.000 0.191 359 N C 1.709 177.188 175.510 -0.051 0.000 1.023 359 N CA 1.574 54.581 53.050 -0.072 0.000 0.857 359 N CB -0.182 38.320 38.487 0.025 0.000 1.013 359 N HN 0.189 nan 8.380 nan 0.000 0.426 360 M N -0.519 118.986 119.600 -0.159 0.000 2.175 360 M HA 0.041 4.521 4.480 0.001 0.000 0.264 360 M C 2.203 178.347 176.300 -0.260 0.000 1.063 360 M CA 1.445 56.537 55.300 -0.346 0.000 1.119 360 M CB -0.402 31.936 32.600 -0.437 0.000 1.377 360 M HN 0.277 nan 8.290 nan 0.000 0.415 361 G N -0.570 108.115 108.800 -0.193 0.000 2.511 361 G HA2 -0.147 3.813 3.960 0.001 0.000 0.217 361 G HA3 -0.147 3.813 3.960 0.001 0.000 0.217 361 G C 1.372 176.150 174.900 -0.203 0.000 1.133 361 G CA 0.341 45.331 45.100 -0.184 0.000 0.792 361 G HN 0.330 nan 8.290 nan 0.000 0.539 362 Q N -0.103 119.607 119.800 -0.150 0.000 2.403 362 Q HA 0.418 4.759 4.340 0.001 0.000 0.203 362 Q C 2.114 178.045 176.000 -0.116 0.000 0.932 362 Q CA 0.503 56.235 55.803 -0.117 0.000 0.945 362 Q CB 0.323 29.015 28.738 -0.075 0.000 1.045 362 Q HN 0.386 nan 8.270 nan 0.000 0.511 363 A N -0.434 122.302 122.820 -0.139 0.000 2.302 363 A HA 0.160 4.481 4.320 0.001 0.000 0.219 363 A C -0.020 177.452 177.584 -0.188 0.000 1.243 363 A CA 0.068 52.049 52.037 -0.094 0.000 0.856 363 A CB 0.109 19.104 19.000 -0.009 0.000 0.893 363 A HN 0.126 nan 8.150 nan 0.000 0.491 364 L N -0.114 120.921 121.223 -0.313 0.000 2.365 364 L HA 0.686 5.027 4.340 0.001 0.000 0.267 364 L C 0.405 177.141 176.870 -0.224 0.000 1.033 364 L CA -0.186 54.392 54.840 -0.437 0.000 0.802 364 L CB 1.164 42.555 42.059 -1.112 0.000 1.267 364 L HN 0.312 nan 8.230 nan 0.000 0.457 365 S N -0.996 114.713 115.700 0.014 0.000 2.548 365 S HA 0.408 4.878 4.470 0.001 0.000 0.278 365 S C -2.413 172.378 174.600 0.318 0.000 1.150 365 S CA -0.814 57.502 58.200 0.192 0.000 0.907 365 S CB 1.984 65.223 63.200 0.064 0.000 1.108 365 S HN 0.455 nan 8.310 nan 0.000 0.459 366 P HA -0.150 nan 4.420 nan 0.000 0.223 366 P C 0.984 178.348 177.300 0.107 0.000 1.144 366 P CA 1.429 64.599 63.100 0.117 0.000 0.783 366 P CB -0.109 31.559 31.700 -0.053 0.000 0.771 367 D N 0.476 120.930 120.400 0.089 0.000 2.178 367 D HA -0.183 4.458 4.640 0.001 0.000 0.201 367 D C 1.573 177.935 176.300 0.102 0.000 0.980 367 D CA 1.204 55.247 54.000 0.071 0.000 0.842 367 D CB -0.861 39.967 40.800 0.047 0.000 0.948 367 D HN 0.228 nan 8.370 nan 0.000 0.472 368 M N -0.072 119.606 119.600 0.130 0.000 2.419 368 M HA 0.106 4.586 4.480 0.001 0.000 0.264 368 M C 2.193 178.601 176.300 0.180 0.000 1.082 368 M CA 0.647 56.029 55.300 0.137 0.000 1.119 368 M CB -0.009 32.666 32.600 0.124 0.000 1.398 368 M HN -0.078 nan 8.290 nan 0.000 0.453 369 L N -0.165 121.180 121.223 0.203 0.000 2.492 369 L HA 0.092 4.433 4.340 0.001 0.000 0.223 369 L C 2.703 179.712 176.870 0.232 0.000 1.132 369 L CA 0.065 55.042 54.840 0.228 0.000 0.850 369 L CB -0.773 41.436 42.059 0.250 0.000 0.966 369 L HN 0.296 nan 8.230 nan 0.000 0.454 370 A N 0.774 123.708 122.820 0.189 0.000 1.940 370 A HA -0.250 4.070 4.320 0.001 0.000 0.219 370 A C 2.431 180.090 177.584 0.126 0.000 1.176 370 A CA 2.394 54.522 52.037 0.152 0.000 0.631 370 A CB -0.905 18.154 19.000 0.097 0.000 0.814 370 A HN 0.504 nan 8.150 nan 0.000 0.446 371 T N -2.918 111.724 114.554 0.147 0.000 3.072 371 T HA -0.073 4.277 4.350 0.001 0.000 0.266 371 T C 0.973 175.722 174.700 0.082 0.000 1.127 371 T CA 1.333 63.506 62.100 0.122 0.000 1.107 371 T CB -0.293 68.709 68.868 0.223 0.000 0.910 371 T HN 0.398 nan 8.240 nan 0.000 0.513 372 D N 0.765 121.295 120.400 0.217 0.000 2.323 372 D HA 0.130 4.770 4.640 0.001 0.000 0.209 372 D C 1.661 178.077 176.300 0.192 0.000 0.973 372 D CA 0.286 54.471 54.000 0.309 0.000 0.874 372 D CB 0.021 40.995 40.800 0.289 0.000 0.930 372 D HN 0.348 nan 8.370 nan 0.000 0.521 373 L N 0.825 122.115 121.223 0.111 0.000 2.240 373 L HA 0.025 4.365 4.340 0.001 0.000 0.211 373 L C 2.378 179.342 176.870 0.157 0.000 1.106 373 L CA 0.698 55.616 54.840 0.130 0.000 0.793 373 L CB -0.474 41.674 42.059 0.149 0.000 0.927 373 L HN -0.075 nan 8.230 nan 0.000 0.446 374 A N -1.209 121.632 122.820 0.035 0.000 1.898 374 A HA -0.187 4.133 4.320 0.001 0.000 0.216 374 A C 1.986 179.595 177.584 0.042 0.000 1.181 374 A CA 1.297 53.326 52.037 -0.014 0.000 0.620 374 A CB -0.779 18.154 19.000 -0.112 0.000 0.819 374 A HN 0.396 nan 8.150 nan 0.000 0.442 375 Y N -2.107 118.346 120.300 0.254 0.000 2.509 375 Y HA -0.079 4.471 4.550 0.001 0.000 0.293 375 Y C 2.063 178.047 175.900 0.141 0.000 1.133 375 Y CA 0.416 58.613 58.100 0.163 0.000 1.283 375 Y CB -0.908 37.611 38.460 0.098 0.000 1.001 375 Y HN 0.549 nan 8.280 nan 0.000 0.555 376 Y N 0.241 120.611 120.300 0.117 0.000 2.153 376 Y HA -0.136 4.414 4.550 0.001 0.000 0.289 376 Y C 1.931 177.789 175.900 -0.070 0.000 1.127 376 Y CA 1.513 59.625 58.100 0.021 0.000 1.131 376 Y CB -0.487 37.977 38.460 0.006 0.000 0.995 376 Y HN -0.015 nan 8.280 nan 0.000 0.505 377 L N -0.910 120.411 121.223 0.164 0.000 2.275 377 L HA -0.169 4.171 4.340 0.001 0.000 0.215 377 L C 2.250 179.110 176.870 -0.016 0.000 1.119 377 L CA 0.527 55.347 54.840 -0.033 0.000 0.790 377 L CB -0.619 41.357 42.059 -0.138 0.000 0.919 377 L HN 0.147 nan 8.230 nan 0.000 0.443 378 V N 0.117 120.065 119.914 0.057 0.000 2.427 378 V HA -0.238 3.882 4.120 0.001 0.000 0.248 378 V C 2.510 178.607 176.094 0.004 0.000 1.051 378 V CA 1.756 64.100 62.300 0.074 0.000 1.048 378 V CB -0.426 31.498 31.823 0.167 0.000 0.666 378 V HN 0.440 nan 8.190 nan 0.000 0.456 379 R N -0.292 120.185 120.500 -0.039 0.000 2.200 379 R HA 0.049 4.390 4.340 0.001 0.000 0.208 379 R C 1.646 177.863 176.300 -0.138 0.000 1.033 379 R CA 0.365 56.408 56.100 -0.096 0.000 1.000 379 R CB -0.036 30.186 30.300 -0.129 0.000 0.906 379 R HN 0.281 nan 8.270 nan 0.000 0.462 380 K N 0.100 120.402 120.400 -0.164 0.000 2.437 380 K HA 0.142 4.462 4.320 0.001 0.000 0.198 380 K C 0.484 177.027 176.600 -0.095 0.000 1.024 380 K CA 0.576 56.765 56.287 -0.164 0.000 1.148 380 K CB 0.962 33.336 32.500 -0.211 0.000 0.860 380 K HN 0.370 nan 8.250 nan 0.000 0.515 381 G N 2.056 110.815 108.800 -0.068 0.000 2.165 381 G HA2 -0.253 3.707 3.960 0.001 0.000 0.226 381 G HA3 -0.253 3.707 3.960 0.001 0.000 0.226 381 G C -0.167 174.719 174.900 -0.024 0.000 1.035 381 G CA 0.230 45.305 45.100 -0.041 0.000 0.744 381 G HN 0.337 nan 8.290 nan 0.000 0.501 382 M N 0.940 120.532 119.600 -0.014 0.000 2.598 382 M HA 0.629 5.109 4.480 0.001 0.000 0.317 382 M C -2.183 174.145 176.300 0.047 0.000 1.179 382 M CA -2.291 53.011 55.300 0.005 0.000 0.936 382 M CB 2.247 34.836 32.600 -0.017 0.000 1.713 382 M HN 0.016 nan 8.290 nan 0.000 0.460 383 P HA 0.074 nan 4.420 nan 0.000 0.277 383 P C -0.015 177.371 177.300 0.144 0.000 1.240 383 P CA -0.221 62.934 63.100 0.093 0.000 0.798 383 P CB 0.695 32.432 31.700 0.062 0.000 0.979 384 F N 3.549 123.507 119.950 0.012 0.000 2.026 384 F HA -0.174 4.353 4.527 0.001 0.000 0.296 384 F C 2.503 178.319 175.800 0.026 0.000 1.133 384 F CA 1.651 59.657 58.000 0.010 0.000 1.188 384 F CB -0.661 38.336 39.000 -0.004 0.000 0.968 384 F HN 0.247 nan 8.300 nan 0.000 0.476 385 R N -0.130 120.288 120.500 -0.137 0.000 2.119 385 R HA -0.255 4.086 4.340 0.001 0.000 0.246 385 R C 2.283 178.545 176.300 -0.063 0.000 1.146 385 R CA 2.168 58.164 56.100 -0.172 0.000 0.962 385 R CB -0.662 29.616 30.300 -0.038 0.000 0.863 385 R HN 0.506 nan 8.270 nan 0.000 0.442 386 Q N -0.304 119.474 119.800 -0.036 0.000 2.016 386 Q HA -0.076 4.264 4.340 0.001 0.000 0.200 386 Q C 2.341 178.324 176.000 -0.029 0.000 0.978 386 Q CA 1.385 57.180 55.803 -0.013 0.000 0.833 386 Q CB -0.142 28.599 28.738 0.005 0.000 0.895 386 Q HN 0.407 nan 8.270 nan 0.000 0.427 387 A N 1.203 124.002 122.820 -0.035 0.000 1.940 387 A HA -0.233 4.087 4.320 0.001 0.000 0.219 387 A C 1.868 179.413 177.584 -0.065 0.000 1.176 387 A CA 1.902 53.926 52.037 -0.020 0.000 0.631 387 A CB -0.835 18.202 19.000 0.061 0.000 0.814 387 A HN 0.568 nan 8.150 nan 0.000 0.446 388 H N -1.549 117.281 119.070 -0.400 0.000 2.539 388 H HA 0.138 4.694 4.556 0.001 0.000 0.267 388 H C 1.441 176.629 175.328 -0.233 0.000 0.982 388 H CA 1.112 56.902 56.048 -0.429 0.000 1.146 388 H CB 0.009 29.223 29.762 -0.913 0.000 1.382 388 H HN 0.460 nan 8.280 nan 0.000 0.577 389 E N 0.760 120.841 120.200 -0.198 0.000 2.190 389 E HA 0.070 4.421 4.350 0.001 0.000 0.191 389 E C 2.133 178.671 176.600 -0.104 0.000 0.978 389 E CA 0.783 57.069 56.400 -0.190 0.000 0.839 389 E CB 0.160 29.822 29.700 -0.063 0.000 0.787 389 E HN 0.545 nan 8.360 nan 0.000 0.473 390 A N 0.459 123.262 122.820 -0.029 0.000 1.930 390 A HA -0.109 4.211 4.320 0.001 0.000 0.217 390 A C 2.460 180.075 177.584 0.052 0.000 1.175 390 A CA 1.667 53.743 52.037 0.064 0.000 0.627 390 A CB -0.455 18.646 19.000 0.168 0.000 0.815 390 A HN 0.173 nan 8.150 nan 0.000 0.443 391 S N -0.523 115.180 115.700 0.005 0.000 2.368 391 S HA -0.059 4.412 4.470 0.001 0.000 0.225 391 S C 2.070 176.635 174.600 -0.058 0.000 1.030 391 S CA 1.169 59.365 58.200 -0.007 0.000 0.999 391 S CB -0.586 62.592 63.200 -0.037 0.000 0.844 391 S HN 0.766 nan 8.310 nan 0.000 0.459 392 G N 1.357 110.065 108.800 -0.153 0.000 2.422 392 G HA2 -0.192 3.769 3.960 0.001 0.000 0.218 392 G HA3 -0.192 3.769 3.960 0.001 0.000 0.218 392 G C 1.398 176.288 174.900 -0.016 0.000 1.146 392 G CA 0.610 45.627 45.100 -0.138 0.000 0.769 392 G HN 0.431 nan 8.290 nan 0.000 0.547 393 K N 0.372 120.776 120.400 0.006 0.000 2.228 393 K HA 0.186 4.506 4.320 0.001 0.000 0.202 393 K C 2.822 179.452 176.600 0.051 0.000 1.051 393 K CA 0.665 57.002 56.287 0.082 0.000 0.960 393 K CB -0.009 32.530 32.500 0.064 0.000 0.743 393 K HN 0.278 nan 8.250 nan 0.000 0.458 394 A N 0.942 123.764 122.820 0.003 0.000 1.968 394 A HA -0.058 4.262 4.320 0.001 0.000 0.217 394 A C 2.283 179.853 177.584 -0.024 0.000 1.169 394 A CA 0.891 52.901 52.037 -0.044 0.000 0.638 394 A CB -0.330 18.631 19.000 -0.064 0.000 0.812 394 A HN 0.022 nan 8.150 nan 0.000 0.446 395 V N -1.049 118.875 119.914 0.017 0.000 2.270 395 V HA -0.195 3.925 4.120 0.001 0.000 0.245 395 V C 2.260 178.402 176.094 0.081 0.000 1.043 395 V CA 2.049 64.368 62.300 0.031 0.000 1.014 395 V CB -0.904 30.938 31.823 0.033 0.000 0.645 395 V HN 0.639 nan 8.190 nan 0.000 0.447 396 F N 0.168 120.083 119.950 -0.058 0.000 2.202 396 F HA -0.227 4.300 4.527 0.001 0.000 0.301 396 F C 2.277 178.045 175.800 -0.053 0.000 1.082 396 F CA 1.998 59.967 58.000 -0.051 0.000 1.313 396 F CB -0.379 38.591 39.000 -0.049 0.000 1.024 396 F HN 0.104 nan 8.300 nan 0.000 0.495 397 M N -0.282 119.200 119.600 -0.196 0.000 2.099 397 M HA -0.095 4.385 4.480 0.001 0.000 0.262 397 M C 2.269 178.431 176.300 -0.230 0.000 1.067 397 M CA 1.949 57.064 55.300 -0.309 0.000 1.124 397 M CB -0.377 32.105 32.600 -0.196 0.000 1.353 397 M HN 0.178 nan 8.290 nan 0.000 0.410 398 A N -0.152 122.579 122.820 -0.148 0.000 1.969 398 A HA -0.159 4.161 4.320 0.001 0.000 0.218 398 A C 1.970 179.489 177.584 -0.108 0.000 1.169 398 A CA 1.535 53.493 52.037 -0.131 0.000 0.635 398 A CB -0.765 18.161 19.000 -0.123 0.000 0.810 398 A HN 0.622 nan 8.150 nan 0.000 0.445 399 E N -0.482 119.673 120.200 -0.076 0.000 2.012 399 E HA -0.175 4.175 4.350 0.001 0.000 0.197 399 E C 1.953 178.514 176.600 -0.065 0.000 1.007 399 E CA 2.014 58.397 56.400 -0.028 0.000 0.816 399 E CB -0.238 29.508 29.700 0.077 0.000 0.762 399 E HN 0.564 nan 8.360 nan 0.000 0.451 400 T N 0.627 115.093 114.554 -0.146 0.000 2.995 400 T HA -0.082 4.268 4.350 0.001 0.000 0.269 400 T C 1.788 176.396 174.700 -0.153 0.000 1.091 400 T CA 0.960 62.955 62.100 -0.174 0.000 1.128 400 T CB -0.010 68.638 68.868 -0.366 0.000 0.891 400 T HN 0.071 nan 8.240 nan 0.000 0.492 401 K N -0.005 120.298 120.400 -0.160 0.000 2.305 401 K HA 0.106 4.426 4.320 0.001 0.000 0.199 401 K C 1.894 178.434 176.600 -0.100 0.000 1.047 401 K CA 0.801 57.010 56.287 -0.131 0.000 0.976 401 K CB -0.115 32.302 32.500 -0.139 0.000 0.765 401 K HN 0.373 nan 8.250 nan 0.000 0.474 402 G N 0.415 109.160 108.800 -0.092 0.000 2.363 402 G HA2 -0.296 3.665 3.960 0.001 0.000 0.238 402 G HA3 -0.296 3.665 3.960 0.001 0.000 0.238 402 G C 0.100 174.953 174.900 -0.078 0.000 1.062 402 G CA 0.372 45.429 45.100 -0.071 0.000 0.629 402 G HN 0.361 nan 8.290 nan 0.000 0.514 403 V N -0.266 119.591 119.914 -0.094 0.000 2.385 403 V HA 0.849 4.970 4.120 0.001 0.000 0.269 403 V C 0.987 176.999 176.094 -0.136 0.000 1.043 403 V CA -0.552 61.683 62.300 -0.108 0.000 0.906 403 V CB 0.369 32.129 31.823 -0.105 0.000 0.995 403 V HN 1.860 nan 8.190 nan 0.000 0.467 404 A N 4.449 127.185 122.820 -0.140 0.000 2.582 404 A HA 0.208 4.528 4.320 0.001 0.000 0.248 404 A C 1.371 178.794 177.584 -0.269 0.000 1.127 404 A CA 0.548 52.482 52.037 -0.172 0.000 0.822 404 A CB -0.203 18.706 19.000 -0.151 0.000 1.069 404 A HN 1.073 nan 8.150 nan 0.000 0.522 405 L N -0.398 120.632 121.223 -0.321 0.000 2.089 405 L HA -0.303 4.037 4.340 0.001 0.000 0.213 405 L C 2.023 178.284 176.870 -1.015 0.000 1.079 405 L CA 2.326 56.843 54.840 -0.538 0.000 0.758 405 L CB -0.641 41.142 42.059 -0.460 0.000 0.891 405 L HN 0.844 nan 8.230 nan 0.000 0.433 406 N N -0.846 117.303 118.700 -0.919 0.000 2.409 406 N HA -0.137 4.603 4.740 0.001 0.000 0.179 406 N C 1.377 176.531 175.510 -0.594 0.000 1.032 406 N CA 0.561 52.983 53.050 -1.046 0.000 0.898 406 N CB -0.156 37.954 38.487 -0.628 0.000 0.971 406 N HN 0.391 nan 8.380 nan 0.000 0.441 407 Q N 0.139 119.697 119.800 -0.404 0.000 2.365 407 Q HA 0.230 4.571 4.340 0.001 0.000 0.203 407 Q C -0.405 175.474 176.000 -0.202 0.000 0.929 407 Q CA 0.113 55.769 55.803 -0.246 0.000 0.948 407 Q CB 0.204 28.830 28.738 -0.188 0.000 1.043 407 Q HN 0.375 nan 8.270 nan 0.000 0.505 408 L N 0.916 121.997 121.223 -0.236 0.000 2.331 408 L HA 0.200 4.540 4.340 0.001 0.000 0.278 408 L C 0.090 176.905 176.870 -0.092 0.000 1.106 408 L CA -0.421 54.325 54.840 -0.157 0.000 0.824 408 L CB 1.145 43.111 42.059 -0.156 0.000 1.142 408 L HN 0.022 nan 8.230 nan 0.000 0.443 409 S N 2.934 118.584 115.700 -0.083 0.000 2.564 409 S HA 0.148 4.618 4.470 0.001 0.000 0.278 409 S C 1.270 175.841 174.600 -0.049 0.000 1.333 409 S CA -0.768 57.399 58.200 -0.055 0.000 1.048 409 S CB 1.230 64.399 63.200 -0.052 0.000 0.900 409 S HN 0.442 nan 8.310 nan 0.000 0.505 410 L N 2.725 123.935 121.223 -0.022 0.000 2.012 410 L HA -0.161 4.179 4.340 0.001 0.000 0.210 410 L C 2.262 179.125 176.870 -0.012 0.000 1.073 410 L CA 2.026 56.859 54.840 -0.011 0.000 0.748 410 L CB -1.315 40.752 42.059 0.014 0.000 0.891 410 L HN 0.709 nan 8.230 nan 0.000 0.431 411 Q N -0.699 119.095 119.800 -0.010 0.000 2.291 411 Q HA -0.148 4.193 4.340 0.001 0.000 0.205 411 Q C 2.044 178.032 176.000 -0.019 0.000 0.970 411 Q CA 0.863 56.664 55.803 -0.003 0.000 0.876 411 Q CB -0.051 28.684 28.738 -0.004 0.000 0.935 411 Q HN 0.484 nan 8.270 nan 0.000 0.455 412 E N 0.238 120.410 120.200 -0.046 0.000 2.047 412 E HA -0.146 4.205 4.350 0.001 0.000 0.191 412 E C 1.671 178.213 176.600 -0.096 0.000 0.987 412 E CA 0.871 57.229 56.400 -0.071 0.000 0.799 412 E CB -0.034 29.610 29.700 -0.093 0.000 0.752 412 E HN 0.325 nan 8.360 nan 0.000 0.449 413 L N 0.493 121.627 121.223 -0.148 0.000 2.291 413 L HA -0.159 4.181 4.340 0.001 0.000 0.214 413 L C 2.193 179.044 176.870 -0.032 0.000 1.120 413 L CA 0.752 55.411 54.840 -0.302 0.000 0.799 413 L CB 0.009 41.739 42.059 -0.547 0.000 0.925 413 L HN 0.066 nan 8.230 nan 0.000 0.446 414 Q N -1.145 118.678 119.800 0.038 0.000 2.435 414 Q HA -0.089 4.252 4.340 0.001 0.000 0.207 414 Q C 1.946 177.996 176.000 0.084 0.000 0.956 414 Q CA 1.236 57.104 55.803 0.108 0.000 0.917 414 Q CB 0.181 28.963 28.738 0.073 0.000 0.997 414 Q HN 0.408 nan 8.270 nan 0.000 0.497 415 T N -0.241 114.338 114.554 0.042 0.000 2.894 415 T HA 0.038 4.388 4.350 0.001 0.000 0.258 415 T C 1.661 176.394 174.700 0.055 0.000 1.043 415 T CA 0.647 62.765 62.100 0.031 0.000 1.141 415 T CB 0.012 68.877 68.868 -0.004 0.000 0.873 415 T HN 0.196 nan 8.240 nan 0.000 0.449 416 I N 0.605 121.212 120.570 0.062 0.000 2.394 416 I HA 0.011 4.182 4.170 0.001 0.000 0.251 416 I C 0.974 177.216 176.117 0.208 0.000 1.136 416 I CA 0.604 61.968 61.300 0.106 0.000 1.425 416 I CB 0.121 38.154 38.000 0.056 0.000 1.079 416 I HN 0.107 nan 8.210 nan 0.000 0.425 417 S N -1.087 114.801 115.700 0.314 0.000 2.590 417 S HA 0.273 4.743 4.470 0.001 0.000 0.286 417 S C -2.296 172.450 174.600 0.243 0.000 1.147 417 S CA -0.902 57.449 58.200 0.252 0.000 0.963 417 S CB 1.304 64.597 63.200 0.154 0.000 1.124 417 S HN -0.238 nan 8.310 nan 0.000 0.458 418 P HA 0.009 nan 4.420 nan 0.000 0.223 418 P C 1.306 178.661 177.300 0.092 0.000 1.144 418 P CA 0.648 63.810 63.100 0.102 0.000 0.783 418 P CB 0.078 31.812 31.700 0.058 0.000 0.771 419 L N -2.904 118.337 121.223 0.030 0.000 2.191 419 L HA -0.093 4.247 4.340 0.001 0.000 0.212 419 L C 0.874 177.783 176.870 0.065 0.000 1.103 419 L CA 0.429 55.256 54.840 -0.022 0.000 0.769 419 L CB -0.799 41.180 42.059 -0.134 0.000 0.908 419 L HN -0.061 nan 8.230 nan 0.000 0.438 420 F N 0.566 120.602 119.950 0.144 0.000 2.543 420 F HA 0.068 4.595 4.527 0.000 0.000 0.375 420 F C 0.972 176.831 175.800 0.098 0.000 1.075 420 F CA 0.018 58.082 58.000 0.105 0.000 1.225 420 F CB 0.392 39.370 39.000 -0.037 0.000 1.099 420 F HN -0.003 nan 8.300 nan 0.000 0.561 421 S N 0.740 116.649 115.700 0.349 0.000 2.973 421 S HA 0.533 5.003 4.470 0.001 0.000 0.317 421 S C 1.145 175.845 174.600 0.168 0.000 1.196 421 S CA -0.462 57.864 58.200 0.209 0.000 0.894 421 S CB 0.758 64.055 63.200 0.162 0.000 1.292 421 S HN 0.634 nan 8.310 nan 0.000 0.614 422 G N 1.538 110.404 108.800 0.111 0.000 2.517 422 G HA2 -0.250 3.710 3.960 0.001 0.000 0.222 422 G HA3 -0.250 3.710 3.960 0.001 0.000 0.222 422 G C 0.671 175.615 174.900 0.072 0.000 1.109 422 G CA 1.405 46.550 45.100 0.074 0.000 0.746 422 G HN 0.881 nan 8.290 nan 0.000 0.576 423 D N 1.021 121.504 120.400 0.139 0.000 2.324 423 D HA -0.040 4.601 4.640 0.001 0.000 0.235 423 D C 2.295 178.668 176.300 0.121 0.000 1.095 423 D CA 0.678 54.761 54.000 0.139 0.000 0.871 423 D CB -0.431 40.455 40.800 0.144 0.000 0.906 423 D HN 0.412 nan 8.370 nan 0.000 0.522 424 V N -2.059 117.829 119.914 -0.044 0.000 2.871 424 V HA -0.128 3.993 4.120 0.001 0.000 0.256 424 V C 2.215 177.966 176.094 -0.572 0.000 1.082 424 V CA 0.252 62.308 62.300 -0.407 0.000 1.105 424 V CB -0.592 31.022 31.823 -0.349 0.000 0.713 424 V HN 0.003 nan 8.190 nan 0.000 0.473 425 I N 2.559 122.977 120.570 -0.253 0.000 2.151 425 I HA -0.265 3.905 4.170 0.001 0.000 0.243 425 I C 2.902 178.829 176.117 -0.317 0.000 1.080 425 I CA 2.173 63.377 61.300 -0.161 0.000 1.339 425 I CB -1.807 36.191 38.000 -0.004 0.000 1.039 425 I HN 0.710 nan 8.210 nan 0.000 0.409 426 C N -0.179 118.930 119.300 -0.319 0.000 2.437 426 C HA 0.051 4.511 4.460 0.001 0.000 0.283 426 C C 2.597 177.174 174.990 -0.689 0.000 1.424 426 C CA -0.185 58.594 59.018 -0.398 0.000 1.782 426 C CB -1.834 25.696 27.740 -0.349 0.000 1.833 426 C HN 0.314 nan 8.230 nan 0.000 0.532 427 V N -1.054 118.382 119.914 -0.797 0.000 2.970 427 V HA -0.127 3.993 4.120 0.001 0.000 0.260 427 V C 1.630 177.392 176.094 -0.553 0.000 1.100 427 V CA 1.099 62.951 62.300 -0.747 0.000 1.122 427 V CB -0.936 30.372 31.823 -0.857 0.000 0.721 427 V HN 0.831 nan 8.190 nan 0.000 0.483 428 W N 0.435 121.614 121.300 -0.202 0.000 3.364 428 W HA 0.358 5.019 4.660 0.001 0.000 0.397 428 W C 0.326 176.662 176.519 -0.305 0.000 1.107 428 W CA -0.761 56.432 57.345 -0.253 0.000 1.892 428 W CB 0.045 29.384 29.460 -0.202 0.000 1.027 428 W HN 0.151 nan 8.180 nan 0.000 0.761 429 D N -0.904 119.448 120.400 -0.080 0.000 2.381 429 D HA 0.108 4.748 4.640 0.001 0.000 0.235 429 D C 0.751 177.069 176.300 0.029 0.000 1.068 429 D CA -0.675 53.311 54.000 -0.024 0.000 0.832 429 D CB 0.902 41.728 40.800 0.045 0.000 1.101 429 D HN -0.039 nan 8.370 nan 0.000 0.515 430 Y N 2.133 122.517 120.300 0.140 0.000 2.151 430 Y HA -0.147 4.403 4.550 0.001 0.000 0.284 430 Y C 2.343 178.315 175.900 0.120 0.000 1.166 430 Y CA 1.000 59.172 58.100 0.120 0.000 1.163 430 Y CB -0.168 38.336 38.460 0.073 0.000 0.974 430 Y HN 0.427 nan 8.280 nan 0.000 0.511 431 R N -0.728 119.929 120.500 0.262 0.000 2.237 431 R HA -0.157 4.184 4.340 0.001 0.000 0.219 431 R C 2.205 178.609 176.300 0.173 0.000 1.080 431 R CA 0.809 57.020 56.100 0.185 0.000 0.995 431 R CB -0.363 30.025 30.300 0.147 0.000 0.875 431 R HN 0.534 nan 8.270 nan 0.000 0.462 432 H N -0.461 118.658 119.070 0.083 0.000 2.372 432 H HA 0.058 4.614 4.556 0.000 0.000 0.301 432 H C 1.501 176.873 175.328 0.072 0.000 1.065 432 H CA 1.472 57.552 56.048 0.054 0.000 1.364 432 H CB 0.332 30.108 29.762 0.023 0.000 1.406 432 H HN 0.018 nan 8.280 nan 0.000 0.521 433 S N 0.751 116.587 115.700 0.226 0.000 2.399 433 S HA -0.129 4.341 4.470 0.001 0.000 0.231 433 S C 2.414 177.120 174.600 0.177 0.000 1.022 433 S CA 1.323 59.643 58.200 0.200 0.000 0.983 433 S CB -0.403 62.954 63.200 0.262 0.000 0.803 433 S HN 0.539 nan 8.310 nan 0.000 0.480 434 V N 0.401 120.401 119.914 0.142 0.000 2.591 434 V HA 0.082 4.203 4.120 0.001 0.000 0.249 434 V C 1.484 177.635 176.094 0.096 0.000 1.053 434 V CA 1.215 63.590 62.300 0.125 0.000 1.068 434 V CB -0.504 31.371 31.823 0.087 0.000 0.689 434 V HN 0.217 nan 8.190 nan 0.000 0.462 435 E N 0.614 120.824 120.200 0.017 0.000 2.463 435 E HA -0.040 4.310 4.350 0.001 0.000 0.191 435 E C 1.790 178.308 176.600 -0.136 0.000 1.083 435 E CA 0.552 56.930 56.400 -0.038 0.000 0.872 435 E CB 0.384 30.060 29.700 -0.040 0.000 0.966 435 E HN 0.868 nan 8.360 nan 0.000 0.491 436 Q N -0.426 119.282 119.800 -0.155 0.000 2.391 436 Q HA -0.023 4.317 4.340 0.001 0.000 0.211 436 Q C -0.177 175.537 176.000 -0.477 0.000 0.908 436 Q CA 0.165 55.776 55.803 -0.321 0.000 0.920 436 Q CB 0.366 28.911 28.738 -0.322 0.000 1.056 436 Q HN 0.151 nan 8.270 nan 0.000 0.523 437 Y N 0.477 120.687 120.300 -0.151 0.000 2.714 437 Y HA 0.371 4.921 4.550 0.001 0.000 0.333 437 Y C 0.803 176.636 175.900 -0.111 0.000 1.220 437 Y CA -0.176 57.839 58.100 -0.142 0.000 1.513 437 Y CB 0.617 38.992 38.460 -0.142 0.000 1.435 437 Y HN 0.126 nan 8.280 nan 0.000 0.489 438 G N 1.019 109.741 108.800 -0.130 0.000 3.365 438 G HA2 0.442 4.403 3.960 0.001 0.000 0.185 438 G HA3 0.442 4.403 3.960 0.001 0.000 0.185 438 G C 0.154 175.001 174.900 -0.088 0.000 1.565 438 G CA -0.411 44.637 45.100 -0.086 0.000 0.984 438 G HN 0.674 nan 8.290 nan 0.000 0.604 439 A N -0.946 121.796 122.820 -0.129 0.000 2.091 439 A HA 0.054 4.374 4.320 0.001 0.000 0.270 439 A C 0.565 178.046 177.584 -0.171 0.000 1.368 439 A CA 0.302 52.246 52.037 -0.155 0.000 0.745 439 A CB -1.866 17.052 19.000 -0.138 0.000 1.173 439 A HN 1.737 nan 8.150 nan 0.000 0.322 440 L N -2.213 118.842 121.223 -0.279 0.000 3.913 440 L HA -0.157 4.183 4.340 0.001 0.000 0.544 440 L C 1.599 178.446 176.870 -0.038 0.000 1.002 440 L CA 2.477 57.047 54.840 -0.451 0.000 1.008 440 L CB -2.228 39.269 42.059 -0.938 0.000 0.760 440 L HN 2.476 nan 8.230 nan 0.000 0.846 441 G N 0.923 109.893 108.800 0.285 0.000 2.195 441 G HA2 -0.064 3.896 3.960 0.001 0.000 0.224 441 G HA3 -0.064 3.896 3.960 0.001 0.000 0.224 441 G C 0.637 175.691 174.900 0.257 0.000 0.990 441 G CA 0.254 45.557 45.100 0.340 0.000 0.639 441 G HN 1.356 nan 8.290 nan 0.000 0.514 442 G N -0.921 107.982 108.800 0.172 0.000 2.508 442 G HA2 0.491 4.452 3.960 0.001 0.000 0.278 442 G HA3 0.491 4.452 3.960 0.001 0.000 0.278 442 G C 0.661 175.590 174.900 0.048 0.000 1.389 442 G CA 0.876 46.045 45.100 0.114 0.000 1.050 442 G HN 0.557 nan 8.290 nan 0.000 0.522 443 T N 0.497 114.995 114.554 -0.093 0.000 3.214 443 T HA 0.533 4.883 4.350 0.001 0.000 0.264 443 T C 0.756 175.465 174.700 0.015 0.000 1.012 443 T CA 0.238 62.223 62.100 -0.191 0.000 0.901 443 T CB 0.141 68.718 68.868 -0.485 0.000 1.070 443 T HN 0.736 nan 8.240 nan 0.000 0.561 444 A N 1.075 123.932 122.820 0.063 0.000 2.322 444 A HA 0.489 4.810 4.320 0.001 0.000 0.269 444 A C 1.574 179.210 177.584 0.087 0.000 1.094 444 A CA -0.544 51.530 52.037 0.061 0.000 0.807 444 A CB 0.377 19.395 19.000 0.030 0.000 1.047 444 A HN 0.387 nan 8.150 nan 0.000 0.487 445 R N 0.795 121.343 120.500 0.080 0.000 2.133 445 R HA -0.180 4.160 4.340 0.001 0.000 0.247 445 R C 2.069 178.426 176.300 0.095 0.000 1.151 445 R CA 2.287 58.441 56.100 0.090 0.000 0.971 445 R CB -0.286 30.058 30.300 0.074 0.000 0.866 445 R HN 0.861 nan 8.270 nan 0.000 0.447 446 S N -0.270 115.476 115.700 0.076 0.000 2.370 446 S HA -0.112 4.358 4.470 0.001 0.000 0.226 446 S C 2.011 176.691 174.600 0.133 0.000 1.033 446 S CA 1.640 59.887 58.200 0.078 0.000 1.011 446 S CB -0.166 63.054 63.200 0.033 0.000 0.852 446 S HN 0.287 nan 8.310 nan 0.000 0.457 447 S N 1.135 116.921 115.700 0.144 0.000 2.414 447 S HA 0.042 4.512 4.470 0.001 0.000 0.227 447 S C 2.013 176.786 174.600 0.288 0.000 1.022 447 S CA 0.803 59.147 58.200 0.240 0.000 0.958 447 S CB -0.343 62.974 63.200 0.196 0.000 0.797 447 S HN 0.377 nan 8.310 nan 0.000 0.493 448 V N 2.355 122.396 119.914 0.212 0.000 2.427 448 V HA -0.151 3.969 4.120 0.001 0.000 0.248 448 V C 2.079 178.246 176.094 0.121 0.000 1.051 448 V CA 1.507 63.910 62.300 0.173 0.000 1.048 448 V CB -0.572 31.347 31.823 0.159 0.000 0.666 448 V HN 0.411 nan 8.190 nan 0.000 0.456 449 D N -1.118 119.363 120.400 0.135 0.000 2.178 449 D HA -0.206 4.434 4.640 0.001 0.000 0.201 449 D C 1.832 178.206 176.300 0.124 0.000 0.980 449 D CA 1.352 55.416 54.000 0.107 0.000 0.842 449 D CB -0.071 40.792 40.800 0.106 0.000 0.948 449 D HN 0.680 nan 8.370 nan 0.000 0.472 450 W N 1.936 123.243 121.300 0.012 0.000 2.436 450 W HA -0.090 4.570 4.660 0.000 0.000 0.284 450 W C 2.168 178.684 176.519 -0.004 0.000 1.225 450 W CA 0.997 58.344 57.345 0.003 0.000 1.271 450 W CB -0.123 29.340 29.460 0.006 0.000 1.114 450 W HN -0.048 nan 8.180 nan 0.000 0.559 451 Q N 0.016 119.714 119.800 -0.169 0.000 2.083 451 Q HA -0.124 4.216 4.340 0.001 0.000 0.198 451 Q C 2.209 178.033 176.000 -0.293 0.000 0.969 451 Q CA 1.802 57.383 55.803 -0.371 0.000 0.838 451 Q CB -0.423 28.217 28.738 -0.164 0.000 0.900 451 Q HN 0.339 nan 8.270 nan 0.000 0.436 452 I N 0.592 121.068 120.570 -0.157 0.000 2.530 452 I HA -0.286 3.884 4.170 0.001 0.000 0.257 452 I C 2.240 178.268 176.117 -0.148 0.000 1.179 452 I CA 1.055 62.281 61.300 -0.124 0.000 1.440 452 I CB -0.146 37.821 38.000 -0.055 0.000 1.087 452 I HN 0.170 nan 8.210 nan 0.000 0.440 453 R N 0.128 120.515 120.500 -0.188 0.000 2.052 453 R HA -0.067 4.274 4.340 0.001 0.000 0.224 453 R C 2.326 178.478 176.300 -0.245 0.000 1.149 453 R CA 0.772 56.765 56.100 -0.178 0.000 0.962 453 R CB -0.398 29.817 30.300 -0.141 0.000 0.856 453 R HN 0.305 nan 8.270 nan 0.000 0.433 454 Q N 0.630 120.184 119.800 -0.410 0.000 2.133 454 Q HA -0.165 4.175 4.340 0.001 0.000 0.208 454 Q C 2.290 178.124 176.000 -0.277 0.000 0.991 454 Q CA 1.606 57.164 55.803 -0.408 0.000 0.867 454 Q CB -0.531 27.788 28.738 -0.699 0.000 0.911 454 Q HN 0.202 nan 8.270 nan 0.000 0.417 455 V N 0.596 120.354 119.914 -0.261 0.000 2.307 455 V HA -0.227 3.893 4.120 0.001 0.000 0.245 455 V C 2.478 178.470 176.094 -0.169 0.000 1.045 455 V CA 1.890 64.074 62.300 -0.194 0.000 1.024 455 V CB -0.542 31.174 31.823 -0.179 0.000 0.651 455 V HN 0.227 nan 8.190 nan 0.000 0.449 456 R N 0.238 120.639 120.500 -0.164 0.000 2.105 456 R HA -0.162 4.179 4.340 0.001 0.000 0.239 456 R C 2.216 178.422 176.300 -0.156 0.000 1.135 456 R CA 1.724 57.734 56.100 -0.150 0.000 0.967 456 R CB -0.570 29.656 30.300 -0.124 0.000 0.861 456 R HN 0.536 nan 8.270 nan 0.000 0.442 457 A N -0.170 122.561 122.820 -0.148 0.000 1.929 457 A HA -0.070 4.250 4.320 0.001 0.000 0.216 457 A C 1.840 179.347 177.584 -0.130 0.000 1.176 457 A CA 0.826 52.786 52.037 -0.128 0.000 0.628 457 A CB -0.353 18.579 19.000 -0.113 0.000 0.816 457 A HN 0.215 nan 8.150 nan 0.000 0.444 458 L N -0.262 120.881 121.223 -0.134 0.000 2.079 458 L HA -0.127 4.214 4.340 0.001 0.000 0.210 458 L C 2.365 179.155 176.870 -0.134 0.000 1.081 458 L CA 1.453 56.227 54.840 -0.110 0.000 0.752 458 L CB -0.854 41.143 42.059 -0.103 0.000 0.896 458 L HN 0.370 nan 8.230 nan 0.000 0.433 459 L N -1.579 119.527 121.223 -0.194 0.000 2.240 459 L HA -0.151 4.189 4.340 0.001 0.000 0.211 459 L C 2.442 179.089 176.870 -0.370 0.000 1.106 459 L CA 0.467 55.106 54.840 -0.335 0.000 0.793 459 L CB -0.371 41.468 42.059 -0.366 0.000 0.927 459 L HN 0.280 nan 8.230 nan 0.000 0.446 460 Q N 1.077 120.730 119.800 -0.244 0.000 2.224 460 Q HA -0.084 4.257 4.340 0.001 0.000 0.203 460 Q C 1.669 177.570 176.000 -0.165 0.000 0.970 460 Q CA 1.591 57.271 55.803 -0.205 0.000 0.865 460 Q CB -0.065 28.588 28.738 -0.141 0.000 0.922 460 Q HN 0.381 nan 8.270 nan 0.000 0.445 461 A N -0.147 122.595 122.820 -0.130 0.000 2.411 461 A HA 0.257 4.577 4.320 0.001 0.000 0.251 461 A C -0.058 177.494 177.584 -0.053 0.000 1.317 461 A CA -0.280 51.712 52.037 -0.075 0.000 0.904 461 A CB -0.007 18.966 19.000 -0.045 0.000 0.993 461 A HN 0.398 nan 8.150 nan 0.000 0.504 462 Q N 0.000 119.727 119.800 -0.122 0.000 2.315 462 Q HA 0.000 4.340 4.340 0.001 0.000 0.214 462 Q CA 0.000 55.792 55.803 -0.018 0.000 1.022 462 Q CB 0.000 28.765 28.738 0.045 0.000 1.108 462 Q HN 0.000 nan 8.270 nan 0.000 0.481