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 3kz4_1_I DATA FIRST_RESID 1 DATA SEQUENCE MDVLYSLSKT LKDARDKIVE GTLYSNVSDL IQQFNQMIIT MNGNEFQTGG DATA SEQUENCE IGNLPIRNWN FDFGLLGTTL LNLDANYVET ARNTIDYFVD FVDNVCMDEM DATA SEQUENCE VRESQRNGIA PQSDSLRKLS GLKFKRINFD NSSEYIENWN LQNRRQRTGF DATA SEQUENCE TFHKPNIFPY SASFTLNRSQ PAHDNLMGTM WLNAGSEIQV AGFDYSCAIN DATA SEQUENCE APANTQQFEH IVQLRRVLTT ATITLLPDAE RFSFPRVINS ADGATTWYFN DATA SEQUENCE PVILRPNNVE VEFLLNGQII NTYQARFGTI IARNFDTIRL SFQLMRPPNM DATA SEQUENCE TPAVAALFPN AQPFEHHATV GLTLRIESAV CESVLADASE TMLANVTSVR DATA SEQUENCE QEYAIPVGPV FPPGMNWTDL ITNYSPSRED NLQRVFTVAS IRSMLVK VARS RESID RESNAME ATOMNAME SS_SHIFT SHIFT RC_SHIFT HM_SHIFT EF_SHIFT SIGMA FORMAT %4d %4s %4s %9.3f %9.3f %9.3f %9.3f %9.3f %9.3f 1 M HA 0.000 nan 4.480 nan 0.000 0.227 1 M C 0.000 176.186 176.300 -0.189 0.000 1.140 1 M CA 0.000 55.170 55.300 -0.217 0.000 0.988 1 M CB 0.000 32.325 32.600 -0.459 0.000 1.302 2 D N 1.622 121.911 120.400 -0.185 0.000 2.220 2 D HA -0.154 4.486 4.640 -0.000 0.000 0.198 2 D C 1.658 178.000 176.300 0.069 0.000 1.001 2 D CA 2.164 56.127 54.000 -0.063 0.000 0.875 2 D CB -1.224 39.586 40.800 0.018 0.000 0.921 2 D HN 0.352 nan 8.370 nan 0.000 0.454 3 V N 0.634 120.582 119.914 0.056 0.000 2.217 3 V HA -0.331 3.789 4.120 -0.000 0.000 0.248 3 V C 2.503 178.659 176.094 0.102 0.000 1.050 3 V CA 1.927 64.290 62.300 0.104 0.000 1.007 3 V CB -1.072 30.814 31.823 0.106 0.000 0.639 3 V HN 0.241 nan 8.190 nan 0.000 0.452 4 L N -0.517 120.738 121.223 0.053 0.000 2.077 4 L HA -0.320 4.020 4.340 -0.000 0.000 0.231 4 L C 2.240 179.158 176.870 0.080 0.000 1.100 4 L CA 2.836 57.700 54.840 0.039 0.000 0.819 4 L CB -1.246 40.803 42.059 -0.016 0.000 0.913 4 L HN 0.528 nan 8.230 nan 0.000 0.446 5 Y N 0.420 120.705 120.300 -0.024 0.000 1.956 5 Y HA -0.401 4.149 4.550 -0.000 0.000 0.258 5 Y C 2.772 178.710 175.900 0.063 0.000 1.152 5 Y CA 2.320 60.422 58.100 0.003 0.000 1.093 5 Y CB -1.171 37.282 38.460 -0.011 0.000 0.945 5 Y HN 0.376 nan 8.280 nan 0.000 0.488 6 S N 0.811 116.513 115.700 0.003 0.000 2.407 6 S HA -0.329 4.141 4.470 -0.000 0.000 0.244 6 S C 2.045 176.655 174.600 0.018 0.000 1.077 6 S CA 2.247 60.472 58.200 0.041 0.000 1.159 6 S CB -1.135 62.204 63.200 0.232 0.000 1.045 6 S HN 0.567 nan 8.310 nan 0.000 0.438 7 L N 0.881 122.130 121.223 0.043 0.000 2.230 7 L HA -0.244 4.096 4.340 -0.000 0.000 0.217 7 L C 2.274 179.167 176.870 0.038 0.000 1.090 7 L CA 1.197 56.076 54.840 0.066 0.000 0.771 7 L CB -0.885 41.222 42.059 0.081 0.000 0.892 7 L HN 0.270 nan 8.230 nan 0.000 0.438 8 S N -0.486 115.182 115.700 -0.054 0.000 2.357 8 S HA -0.059 4.411 4.470 -0.000 0.000 0.209 8 S C 1.796 176.341 174.600 -0.091 0.000 1.023 8 S CA 0.375 58.529 58.200 -0.077 0.000 0.933 8 S CB -0.102 63.030 63.200 -0.114 0.000 0.897 8 S HN 0.163 nan 8.310 nan 0.000 0.529 9 K N 1.681 121.938 120.400 -0.239 0.000 2.366 9 K HA -0.091 4.229 4.320 -0.000 0.000 0.202 9 K C 1.779 178.436 176.600 0.094 0.000 1.045 9 K CA 1.474 57.667 56.287 -0.156 0.000 0.934 9 K CB -0.776 31.490 32.500 -0.389 0.000 0.746 9 K HN 0.269 nan 8.250 nan 0.000 0.470 10 T N 0.629 115.277 114.554 0.156 0.000 2.639 10 T HA -0.071 4.279 4.350 -0.000 0.000 0.261 10 T C 1.589 176.327 174.700 0.064 0.000 1.053 10 T CA 1.644 63.846 62.100 0.169 0.000 1.158 10 T CB -0.172 68.767 68.868 0.119 0.000 0.863 10 T HN 0.150 nan 8.240 nan 0.000 0.413 11 L N 0.799 122.042 121.223 0.033 0.000 2.017 11 L HA -0.088 4.252 4.340 -0.000 0.000 0.208 11 L C 2.714 179.565 176.870 -0.031 0.000 1.073 11 L CA 1.466 56.297 54.840 -0.014 0.000 0.745 11 L CB -0.636 41.432 42.059 0.015 0.000 0.894 11 L HN 0.227 nan 8.230 nan 0.000 0.432 12 K N 0.815 121.203 120.400 -0.019 0.000 1.978 12 K HA -0.238 4.082 4.320 -0.000 0.000 0.214 12 K C 1.454 178.043 176.600 -0.019 0.000 1.049 12 K CA 2.215 58.488 56.287 -0.023 0.000 0.939 12 K CB -0.206 32.278 32.500 -0.026 0.000 0.721 12 K HN 0.109 nan 8.250 nan 0.000 0.441 13 D N -0.231 120.171 120.400 0.003 0.000 2.411 13 D HA -0.075 4.565 4.640 -0.000 0.000 0.226 13 D C 0.823 177.118 176.300 -0.007 0.000 0.988 13 D CA 0.744 54.755 54.000 0.019 0.000 0.938 13 D CB 0.249 41.099 40.800 0.083 0.000 0.883 13 D HN 0.401 nan 8.370 nan 0.000 0.525 14 A N -0.285 122.507 122.820 -0.046 0.000 2.106 14 A HA 0.134 4.454 4.320 -0.000 0.000 0.218 14 A C 1.918 179.435 177.584 -0.112 0.000 1.718 14 A CA 0.070 52.036 52.037 -0.119 0.000 0.768 14 A CB -0.241 18.638 19.000 -0.201 0.000 1.321 14 A HN 0.073 nan 8.150 nan 0.000 0.567 15 R N -0.060 120.381 120.500 -0.097 0.000 2.371 15 R HA -0.146 4.194 4.340 -0.000 0.000 0.226 15 R C 0.401 176.671 176.300 -0.050 0.000 1.132 15 R CA 1.666 57.721 56.100 -0.075 0.000 1.027 15 R CB -0.139 30.130 30.300 -0.052 0.000 0.848 15 R HN 0.538 nan 8.270 nan 0.000 0.479 16 D N -0.695 119.678 120.400 -0.044 0.000 2.725 16 D HA -0.012 4.628 4.640 -0.000 0.000 0.269 16 D C 1.051 177.336 176.300 -0.026 0.000 1.018 16 D CA 0.604 54.587 54.000 -0.029 0.000 0.956 16 D CB 0.047 40.834 40.800 -0.021 0.000 1.141 16 D HN 0.095 nan 8.370 nan 0.000 0.478 17 K N 0.368 120.750 120.400 -0.029 0.000 2.525 17 K HA 0.163 4.483 4.320 -0.000 0.000 0.192 17 K C 0.207 176.794 176.600 -0.021 0.000 1.029 17 K CA 0.232 56.506 56.287 -0.023 0.000 1.029 17 K CB 0.450 32.938 32.500 -0.021 0.000 0.814 17 K HN 0.127 nan 8.250 nan 0.000 0.503 18 I N 1.966 122.517 120.570 -0.032 0.000 2.442 18 I HA 0.100 4.270 4.170 -0.000 0.000 0.279 18 I C -0.474 175.640 176.117 -0.005 0.000 1.081 18 I CA -0.780 60.510 61.300 -0.017 0.000 1.197 18 I CB 0.922 38.881 38.000 -0.068 0.000 1.394 18 I HN -0.266 nan 8.210 nan 0.000 0.488 19 V N 0.707 120.632 119.914 0.019 0.000 3.126 19 V HA 0.482 4.602 4.120 -0.000 0.000 0.314 19 V C 0.118 176.237 176.094 0.041 0.000 1.138 19 V CA -1.110 61.202 62.300 0.019 0.000 1.034 19 V CB 1.821 33.649 31.823 0.009 0.000 1.075 19 V HN 0.610 nan 8.190 nan 0.000 0.442 20 E N 0.703 120.924 120.200 0.035 0.000 2.463 20 E HA 0.350 4.700 4.350 -0.000 0.000 0.248 20 E C 1.100 177.720 176.600 0.033 0.000 1.106 20 E CA 1.211 57.636 56.400 0.040 0.000 0.946 20 E CB -0.374 29.343 29.700 0.029 0.000 0.971 20 E HN 1.455 nan 8.360 nan 0.000 0.478 21 G N 3.343 112.166 108.800 0.038 0.000 2.376 21 G HA2 -0.279 3.681 3.960 -0.000 0.000 0.208 21 G HA3 -0.279 3.681 3.960 -0.000 0.000 0.208 21 G C 0.549 175.466 174.900 0.028 0.000 1.032 21 G CA -0.029 45.087 45.100 0.027 0.000 0.641 21 G HN 0.697 nan 8.290 nan 0.000 0.503 22 T N 1.721 116.294 114.554 0.032 0.000 2.923 22 T HA 0.260 4.610 4.350 -0.000 0.000 0.309 22 T C 0.832 175.556 174.700 0.039 0.000 1.059 22 T CA 0.542 62.659 62.100 0.028 0.000 1.133 22 T CB 0.136 69.019 68.868 0.026 0.000 1.053 22 T HN 0.816 nan 8.240 nan 0.000 0.530 23 L N 5.503 126.745 121.223 0.030 0.000 2.461 23 L HA 0.182 4.522 4.340 -0.000 0.000 0.272 23 L C 1.161 178.072 176.870 0.069 0.000 1.197 23 L CA -0.597 54.271 54.840 0.047 0.000 0.836 23 L CB 0.405 42.481 42.059 0.028 0.000 1.105 23 L HN 0.914 nan 8.230 nan 0.000 0.477 24 Y N 2.473 122.756 120.300 -0.029 0.000 2.036 24 Y HA -0.334 4.216 4.550 -0.000 0.000 0.273 24 Y C 2.598 178.489 175.900 -0.015 0.000 1.135 24 Y CA 2.069 60.150 58.100 -0.032 0.000 1.106 24 Y CB -0.699 37.731 38.460 -0.050 0.000 0.976 24 Y HN 0.896 nan 8.280 nan 0.000 0.483 25 S N 1.293 116.851 115.700 -0.236 0.000 2.465 25 S HA -0.408 4.062 4.470 -0.000 0.000 0.263 25 S C 1.516 175.946 174.600 -0.284 0.000 1.135 25 S CA 1.986 60.014 58.200 -0.286 0.000 1.118 25 S CB -1.658 61.498 63.200 -0.074 0.000 0.994 25 S HN 0.806 nan 8.310 nan 0.000 0.455 26 N N 1.849 120.435 118.700 -0.190 0.000 2.571 26 N HA -0.009 4.731 4.740 -0.000 0.000 0.189 26 N C 1.412 176.832 175.510 -0.150 0.000 1.154 26 N CA 1.116 54.088 53.050 -0.131 0.000 0.907 26 N CB 0.019 38.463 38.487 -0.071 0.000 0.977 26 N HN 0.798 nan 8.380 nan 0.000 0.449 27 V N -3.430 116.324 119.914 -0.266 0.000 3.485 27 V HA 0.152 4.272 4.120 -0.000 0.000 0.280 27 V C 2.312 178.243 176.094 -0.271 0.000 1.495 27 V CA 0.526 62.697 62.300 -0.214 0.000 1.018 27 V CB 0.049 31.789 31.823 -0.139 0.000 0.818 27 V HN 0.224 nan 8.190 nan 0.000 0.436 28 S N 1.655 117.057 115.700 -0.497 0.000 2.368 28 S HA -0.342 4.128 4.470 -0.000 0.000 0.226 28 S C 1.557 176.093 174.600 -0.106 0.000 1.044 28 S CA 2.240 60.234 58.200 -0.344 0.000 1.062 28 S CB -1.073 61.937 63.200 -0.317 0.000 0.931 28 S HN 0.653 nan 8.310 nan 0.000 0.440 29 D N 0.996 121.341 120.400 -0.092 0.000 2.309 29 D HA 0.011 4.651 4.640 -0.000 0.000 0.212 29 D C 1.744 178.031 176.300 -0.022 0.000 0.968 29 D CA 0.795 54.776 54.000 -0.032 0.000 0.882 29 D CB -0.201 40.593 40.800 -0.011 0.000 0.918 29 D HN 0.404 nan 8.370 nan 0.000 0.503 30 L N 0.561 121.763 121.223 -0.035 0.000 2.185 30 L HA -0.030 4.310 4.340 -0.000 0.000 0.198 30 L C 1.996 178.865 176.870 -0.002 0.000 1.079 30 L CA 0.776 55.602 54.840 -0.024 0.000 0.780 30 L CB -0.485 41.561 42.059 -0.021 0.000 0.955 30 L HN -0.207 nan 8.230 nan 0.000 0.462 31 I N 0.216 120.803 120.570 0.029 0.000 2.093 31 I HA -0.377 3.793 4.170 -0.000 0.000 0.239 31 I C 2.544 178.738 176.117 0.127 0.000 1.026 31 I CA 1.451 62.819 61.300 0.114 0.000 1.295 31 I CB -1.831 36.280 38.000 0.184 0.000 1.007 31 I HN 0.432 nan 8.210 nan 0.000 0.401 32 Q N 0.344 120.188 119.800 0.073 0.000 1.914 32 Q HA -0.350 3.990 4.340 -0.000 0.000 0.222 32 Q C 2.158 178.151 176.000 -0.012 0.000 1.031 32 Q CA 2.749 58.572 55.803 0.033 0.000 0.886 32 Q CB -0.979 27.766 28.738 0.011 0.000 0.982 32 Q HN 0.642 nan 8.270 nan 0.000 0.417 33 Q N 0.130 119.886 119.800 -0.073 0.000 2.124 33 Q HA -0.248 4.092 4.340 -0.000 0.000 0.215 33 Q C 1.796 177.709 176.000 -0.145 0.000 1.015 33 Q CA 2.404 58.096 55.803 -0.185 0.000 0.890 33 Q CB -0.901 27.598 28.738 -0.398 0.000 0.966 33 Q HN 0.352 nan 8.270 nan 0.000 0.412 34 F N 1.130 120.953 119.950 -0.211 0.000 2.008 34 F HA -0.318 4.209 4.527 -0.000 0.000 0.297 34 F C 1.909 177.621 175.800 -0.146 0.000 1.156 34 F CA 2.438 60.327 58.000 -0.185 0.000 1.191 34 F CB -1.039 37.872 39.000 -0.149 0.000 0.955 34 F HN 0.254 nan 8.300 nan 0.000 0.497 35 N N 0.404 118.979 118.700 -0.208 0.000 2.058 35 N HA -0.373 4.367 4.740 -0.000 0.000 0.200 35 N C 1.856 177.196 175.510 -0.284 0.000 1.033 35 N CA 2.083 54.973 53.050 -0.267 0.000 0.880 35 N CB -1.082 37.377 38.487 -0.047 0.000 1.069 35 N HN 0.454 nan 8.380 nan 0.000 0.461 36 Q N 1.132 120.821 119.800 -0.185 0.000 2.231 36 Q HA -0.249 4.091 4.340 -0.000 0.000 0.217 36 Q C 2.012 177.885 176.000 -0.212 0.000 1.013 36 Q CA 2.230 57.935 55.803 -0.163 0.000 0.917 36 Q CB -0.548 28.108 28.738 -0.136 0.000 0.968 36 Q HN 0.545 nan 8.270 nan 0.000 0.414 37 M N -0.557 118.868 119.600 -0.292 0.000 2.200 37 M HA -0.187 4.293 4.480 -0.000 0.000 0.261 37 M C 1.977 178.103 176.300 -0.289 0.000 1.074 37 M CA 2.372 57.493 55.300 -0.297 0.000 1.098 37 M CB -0.360 32.023 32.600 -0.362 0.000 1.268 37 M HN 0.421 nan 8.290 nan 0.000 0.432 38 I N 0.762 121.102 120.570 -0.382 0.000 2.178 38 I HA -0.451 3.719 4.170 -0.000 0.000 0.243 38 I C 2.354 178.393 176.117 -0.131 0.000 1.019 38 I CA 2.182 63.345 61.300 -0.228 0.000 1.294 38 I CB -1.116 36.730 38.000 -0.257 0.000 0.996 38 I HN 0.485 nan 8.210 nan 0.000 0.415 39 I N 0.470 120.952 120.570 -0.146 0.000 2.052 39 I HA -0.339 3.831 4.170 -0.000 0.000 0.235 39 I C 2.672 178.701 176.117 -0.147 0.000 1.046 39 I CA 2.337 63.571 61.300 -0.109 0.000 1.308 39 I CB -1.027 36.911 38.000 -0.104 0.000 1.031 39 I HN 0.296 nan 8.210 nan 0.000 0.395 40 T N 1.149 115.580 114.554 -0.206 0.000 2.714 40 T HA -0.239 4.111 4.350 -0.000 0.000 0.268 40 T C 1.733 176.206 174.700 -0.379 0.000 1.036 40 T CA 1.536 63.455 62.100 -0.302 0.000 1.148 40 T CB -0.173 68.472 68.868 -0.372 0.000 0.856 40 T HN 0.171 nan 8.240 nan 0.000 0.462 41 M N 1.265 120.656 119.600 -0.348 0.000 2.153 41 M HA 0.084 4.564 4.480 -0.000 0.000 0.257 41 M C 0.843 176.968 176.300 -0.292 0.000 1.107 41 M CA 0.680 55.716 55.300 -0.440 0.000 1.109 41 M CB -1.579 30.706 32.600 -0.526 0.000 1.240 41 M HN 0.124 nan 8.290 nan 0.000 0.436 42 N N 1.521 120.158 118.700 -0.104 0.000 1.794 42 N HA -0.054 4.686 4.740 -0.000 0.000 0.324 42 N C 1.057 176.605 175.510 0.063 0.000 1.301 42 N CA 1.351 54.472 53.050 0.117 0.000 0.798 42 N CB -0.087 38.499 38.487 0.165 0.000 1.038 42 N HN 0.742 nan 8.380 nan 0.000 0.506 43 G N 2.397 111.274 108.800 0.128 0.000 2.697 43 G HA2 -0.226 3.734 3.960 -0.000 0.000 0.200 43 G HA3 -0.226 3.734 3.960 -0.000 0.000 0.200 43 G C 0.016 174.991 174.900 0.125 0.000 1.106 43 G CA -0.525 44.636 45.100 0.102 0.000 0.748 43 G HN 0.562 nan 8.290 nan 0.000 0.503 44 N N 2.151 120.918 118.700 0.111 0.000 2.529 44 N HA 0.424 5.164 4.740 -0.000 0.000 0.278 44 N C -0.330 175.382 175.510 0.336 0.000 1.146 44 N CA 0.327 53.488 53.050 0.185 0.000 0.980 44 N CB 1.221 39.859 38.487 0.252 0.000 1.124 44 N HN 0.611 nan 8.380 nan 0.000 0.458 45 E N 0.664 121.028 120.200 0.275 0.000 2.222 45 E HA 0.518 4.868 4.350 -0.000 0.000 0.267 45 E C -0.957 175.847 176.600 0.340 0.000 0.963 45 E CA -0.473 56.170 56.400 0.406 0.000 0.837 45 E CB 1.259 31.100 29.700 0.234 0.000 1.183 45 E HN 0.312 nan 8.360 nan 0.000 0.403 46 F N 0.560 120.718 119.950 0.346 0.000 2.599 46 F HA 0.284 4.811 4.527 -0.000 0.000 0.311 46 F C -0.314 175.738 175.800 0.419 0.000 1.076 46 F CA -0.865 57.358 58.000 0.373 0.000 0.937 46 F CB 2.091 41.363 39.000 0.452 0.000 1.282 46 F HN 0.250 nan 8.300 nan 0.000 0.460 47 Q N 0.994 121.045 119.800 0.420 0.000 2.322 47 Q HA 0.625 4.965 4.340 -0.000 0.000 0.265 47 Q C -1.320 174.870 176.000 0.316 0.000 0.985 47 Q CA -0.144 55.839 55.803 0.300 0.000 0.849 47 Q CB 1.878 30.699 28.738 0.139 0.000 1.274 47 Q HN 0.684 nan 8.270 nan 0.000 0.449 48 T N 3.052 117.803 114.554 0.329 0.000 2.841 48 T HA 0.796 5.146 4.350 -0.000 0.000 0.285 48 T C -0.497 174.281 174.700 0.130 0.000 0.991 48 T CA 0.397 62.653 62.100 0.261 0.000 0.966 48 T CB 1.207 70.350 68.868 0.457 0.000 0.962 48 T HN 1.007 nan 8.240 nan 0.000 0.438 49 G N 1.916 110.752 108.800 0.060 0.000 2.548 49 G HA2 0.336 4.296 3.960 -0.000 0.000 0.208 49 G HA3 0.336 4.296 3.960 -0.000 0.000 0.208 49 G C 0.405 175.316 174.900 0.019 0.000 1.308 49 G CA 0.260 45.367 45.100 0.012 0.000 0.924 49 G HN 1.872 nan 8.290 nan 0.000 0.540 50 G N -1.420 107.385 108.800 0.010 0.000 2.148 50 G HA2 0.262 4.222 3.960 -0.000 0.000 0.157 50 G HA3 0.262 4.222 3.960 -0.000 0.000 0.157 50 G C 0.076 174.986 174.900 0.018 0.000 1.012 50 G CA 0.640 45.750 45.100 0.016 0.000 0.677 50 G HN 2.154 nan 8.290 nan 0.000 0.506 51 I N 0.134 120.714 120.570 0.016 0.000 2.586 51 I HA 0.557 4.727 4.170 -0.000 0.000 0.288 51 I C 0.802 176.943 176.117 0.040 0.000 1.147 51 I CA 0.702 62.019 61.300 0.028 0.000 1.047 51 I CB 1.242 39.260 38.000 0.029 0.000 1.244 51 I HN 1.563 nan 8.210 nan 0.000 0.429 52 G N 6.609 115.438 108.800 0.049 0.000 2.552 52 G HA2 -0.307 3.653 3.960 -0.000 0.000 0.265 52 G HA3 -0.307 3.653 3.960 -0.000 0.000 0.265 52 G C -0.032 174.914 174.900 0.077 0.000 1.234 52 G CA 0.199 45.339 45.100 0.066 0.000 0.944 52 G HN 0.725 nan 8.290 nan 0.000 0.568 53 N N 0.871 119.641 118.700 0.116 0.000 2.843 53 N HA 0.273 5.013 4.740 -0.000 0.000 0.284 53 N C -0.166 175.467 175.510 0.207 0.000 1.274 53 N CA 0.121 53.256 53.050 0.142 0.000 1.045 53 N CB 0.286 38.859 38.487 0.144 0.000 1.370 53 N HN 0.532 nan 8.380 nan 0.000 0.525 54 L N 1.067 122.341 121.223 0.085 0.000 2.294 54 L HA 0.549 4.889 4.340 -0.000 0.000 0.283 54 L C -2.435 174.413 176.870 -0.035 0.000 1.015 54 L CA -1.897 52.909 54.840 -0.056 0.000 0.831 54 L CB 0.977 42.967 42.059 -0.116 0.000 1.217 54 L HN -0.071 nan 8.230 nan 0.000 0.420 55 P HA 0.098 nan 4.420 nan 0.000 0.271 55 P C -0.794 176.499 177.300 -0.011 0.000 1.228 55 P CA 0.440 63.538 63.100 -0.003 0.000 0.797 55 P CB 0.373 32.080 31.700 0.011 0.000 0.914 56 I N 1.110 121.675 120.570 -0.008 0.000 2.595 56 I HA 0.283 4.453 4.170 -0.000 0.000 0.275 56 I C 0.379 176.470 176.117 -0.042 0.000 1.092 56 I CA -0.401 60.898 61.300 -0.002 0.000 1.145 56 I CB 0.607 38.608 38.000 0.001 0.000 1.276 56 I HN 0.149 nan 8.210 nan 0.000 0.497 57 R N 3.037 123.503 120.500 -0.058 0.000 2.486 57 R HA 0.488 4.828 4.340 -0.000 0.000 0.286 57 R C -0.573 175.455 176.300 -0.453 0.000 0.999 57 R CA -0.753 55.167 56.100 -0.300 0.000 0.993 57 R CB 1.182 31.221 30.300 -0.435 0.000 1.084 57 R HN 0.341 nan 8.270 nan 0.000 0.487 58 N N 0.560 118.872 118.700 -0.647 0.000 2.430 58 N HA 0.466 5.206 4.740 -0.000 0.000 0.298 58 N C -1.558 173.497 175.510 -0.759 0.000 1.130 58 N CA -0.392 52.382 53.050 -0.461 0.000 0.894 58 N CB 1.028 39.422 38.487 -0.154 0.000 1.209 58 N HN 0.324 nan 8.380 nan 0.000 0.503 59 W N 0.030 121.442 121.300 0.187 0.000 3.127 59 W HA 0.561 5.221 4.660 -0.000 0.000 0.330 59 W C -0.482 176.163 176.519 0.211 0.000 1.187 59 W CA -0.598 56.823 57.345 0.127 0.000 1.198 59 W CB 1.118 30.569 29.460 -0.015 0.000 1.408 59 W HN 0.158 nan 8.180 nan 0.000 0.529 60 N N 0.701 119.587 118.700 0.310 0.000 2.455 60 N HA 0.659 5.399 4.740 -0.000 0.000 0.278 60 N C -1.812 173.776 175.510 0.130 0.000 1.291 60 N CA -0.590 52.667 53.050 0.345 0.000 0.780 60 N CB 2.347 40.964 38.487 0.216 0.000 1.520 60 N HN 0.211 nan 8.380 nan 0.000 0.486 61 F N -0.054 120.045 119.950 0.247 0.000 2.613 61 F HA 0.354 4.881 4.527 -0.000 0.000 0.310 61 F C -0.679 175.270 175.800 0.248 0.000 1.085 61 F CA -0.926 57.279 58.000 0.341 0.000 0.945 61 F CB 1.756 40.879 39.000 0.206 0.000 1.298 61 F HN 0.369 nan 8.300 nan 0.000 0.455 62 D N 0.529 121.241 120.400 0.521 0.000 3.279 62 D HA 0.094 4.734 4.640 -0.000 0.000 0.170 62 D C -1.739 174.588 176.300 0.045 0.000 1.215 62 D CA -0.173 53.959 54.000 0.220 0.000 1.618 62 D CB -1.374 39.455 40.800 0.049 0.000 1.028 62 D HN 0.127 nan 8.370 nan 0.000 0.783 63 F N 1.181 121.186 119.950 0.091 0.000 2.458 63 F HA 0.734 5.261 4.527 -0.000 0.000 0.336 63 F C 1.624 177.449 175.800 0.042 0.000 1.114 63 F CA -0.561 57.478 58.000 0.064 0.000 0.987 63 F CB 1.967 41.034 39.000 0.112 0.000 1.130 63 F HN 0.247 nan 8.300 nan 0.000 0.458 64 G N 2.916 111.803 108.800 0.145 0.000 2.760 64 G HA2 0.201 4.161 3.960 -0.000 0.000 0.236 64 G HA3 0.201 4.161 3.960 -0.000 0.000 0.236 64 G C 0.370 175.344 174.900 0.125 0.000 1.243 64 G CA -0.459 44.701 45.100 0.100 0.000 0.850 64 G HN 0.613 nan 8.290 nan 0.000 0.595 65 L N -0.844 120.434 121.223 0.092 0.000 2.977 65 L HA 0.542 4.882 4.340 -0.000 0.000 0.175 65 L C 0.500 177.452 176.870 0.136 0.000 1.360 65 L CA -0.638 54.260 54.840 0.097 0.000 1.392 65 L CB 0.017 42.116 42.059 0.066 0.000 2.342 65 L HN 0.259 nan 8.230 nan 0.000 0.524 66 L N -0.868 120.449 121.223 0.158 0.000 2.388 66 L HA 0.490 4.830 4.340 -0.000 0.000 0.264 66 L C 0.172 177.162 176.870 0.199 0.000 0.998 66 L CA -0.799 54.172 54.840 0.219 0.000 0.817 66 L CB 1.798 44.020 42.059 0.270 0.000 1.338 66 L HN 0.546 nan 8.230 nan 0.000 0.414 67 G N 0.388 109.335 108.800 0.245 0.000 2.732 67 G HA2 0.358 4.318 3.960 -0.000 0.000 0.244 67 G HA3 0.358 4.318 3.960 -0.000 0.000 0.244 67 G C 0.176 175.070 174.900 -0.009 0.000 1.226 67 G CA 0.181 45.317 45.100 0.059 0.000 0.860 67 G HN 0.676 nan 8.290 nan 0.000 0.583 68 T N -0.871 113.611 114.554 -0.121 0.000 3.429 68 T HA 0.106 4.456 4.350 -0.000 0.000 0.212 68 T C 1.192 175.602 174.700 -0.483 0.000 0.980 68 T CA 0.508 62.510 62.100 -0.163 0.000 1.201 68 T CB -0.167 68.680 68.868 -0.035 0.000 1.289 68 T HN 0.407 nan 8.240 nan 0.000 0.346 69 T N 3.722 118.087 114.554 -0.316 0.000 3.455 69 T HA 0.491 4.841 4.350 -0.000 0.000 0.286 69 T C 0.121 174.602 174.700 -0.365 0.000 1.157 69 T CA 0.104 61.999 62.100 -0.342 0.000 1.090 69 T CB -0.705 68.071 68.868 -0.154 0.000 1.112 69 T HN 0.150 nan 8.240 nan 0.000 0.779 70 L N 1.204 122.087 121.223 -0.568 0.000 2.760 70 L HA 0.646 4.986 4.340 -0.000 0.000 0.213 70 L C 0.941 177.638 176.870 -0.287 0.000 2.003 70 L CA -0.945 53.659 54.840 -0.394 0.000 2.737 70 L CB 0.363 42.148 42.059 -0.457 0.000 2.794 70 L HN 0.344 nan 8.230 nan 0.000 0.633 71 L N -1.707 119.404 121.223 -0.186 0.000 2.033 71 L HA 0.170 4.510 4.340 -0.000 0.000 0.115 71 L C -0.878 176.000 176.870 0.015 0.000 1.480 71 L CA -0.275 54.541 54.840 -0.039 0.000 1.036 71 L CB 0.547 42.583 42.059 -0.039 0.000 2.060 71 L HN 0.380 nan 8.230 nan 0.000 0.464 72 N N 1.555 120.241 118.700 -0.023 0.000 2.400 72 N HA 0.545 5.285 4.740 -0.000 0.000 0.288 72 N C -1.109 174.378 175.510 -0.038 0.000 1.024 72 N CA -0.386 52.661 53.050 -0.004 0.000 0.894 72 N CB 1.435 39.921 38.487 -0.002 0.000 1.173 72 N HN 0.129 nan 8.380 nan 0.000 0.487 73 L N 1.761 122.976 121.223 -0.013 0.000 2.361 73 L HA 0.226 4.566 4.340 -0.000 0.000 0.278 73 L C 0.426 177.315 176.870 0.031 0.000 1.113 73 L CA -0.628 54.200 54.840 -0.021 0.000 0.849 73 L CB -0.019 42.096 42.059 0.093 0.000 1.155 73 L HN 0.595 nan 8.230 nan 0.000 0.452 74 D N 3.182 123.597 120.400 0.025 0.000 2.255 74 D HA 0.184 4.824 4.640 -0.000 0.000 0.249 74 D C 0.920 177.276 176.300 0.095 0.000 1.078 74 D CA -0.112 53.916 54.000 0.047 0.000 0.896 74 D CB 1.979 42.793 40.800 0.024 0.000 1.194 74 D HN 0.540 nan 8.370 nan 0.000 0.429 75 A N 3.913 126.771 122.820 0.063 0.000 1.923 75 A HA -0.420 3.900 4.320 -0.000 0.000 0.222 75 A C 1.970 179.596 177.584 0.070 0.000 1.258 75 A CA 2.669 54.740 52.037 0.058 0.000 0.670 75 A CB -1.405 17.616 19.000 0.034 0.000 0.834 75 A HN 0.822 nan 8.150 nan 0.000 0.470 76 N N -1.933 116.808 118.700 0.069 0.000 2.184 76 N HA -0.246 4.494 4.740 -0.000 0.000 0.190 76 N C 1.486 177.060 175.510 0.106 0.000 1.011 76 N CA 2.152 55.244 53.050 0.070 0.000 0.867 76 N CB -0.440 38.085 38.487 0.063 0.000 0.993 76 N HN 0.605 nan 8.380 nan 0.000 0.433 77 Y N 0.249 120.546 120.300 -0.004 0.000 2.200 77 Y HA -0.101 4.449 4.550 -0.000 0.000 0.290 77 Y C 2.061 177.956 175.900 -0.008 0.000 1.137 77 Y CA 1.252 59.349 58.100 -0.005 0.000 1.163 77 Y CB -0.562 37.894 38.460 -0.007 0.000 0.988 77 Y HN -0.046 nan 8.280 nan 0.000 0.518 78 V N 0.498 120.415 119.914 0.006 0.000 2.214 78 V HA -0.328 3.792 4.120 -0.000 0.000 0.244 78 V C 2.381 178.409 176.094 -0.111 0.000 1.045 78 V CA 2.274 64.523 62.300 -0.085 0.000 0.993 78 V CB -0.899 30.919 31.823 -0.008 0.000 0.633 78 V HN 0.289 nan 8.190 nan 0.000 0.449 79 E N 0.822 120.994 120.200 -0.047 0.000 2.164 79 E HA -0.281 4.069 4.350 -0.000 0.000 0.206 79 E C 2.292 178.865 176.600 -0.045 0.000 1.032 79 E CA 2.405 58.785 56.400 -0.034 0.000 0.832 79 E CB -0.808 28.888 29.700 -0.008 0.000 0.742 79 E HN 0.875 nan 8.360 nan 0.000 0.460 80 T N -2.327 112.188 114.554 -0.065 0.000 3.113 80 T HA 0.231 4.581 4.350 -0.000 0.000 0.263 80 T C 1.646 176.289 174.700 -0.094 0.000 1.143 80 T CA 0.932 62.997 62.100 -0.058 0.000 1.090 80 T CB 0.219 69.059 68.868 -0.046 0.000 0.922 80 T HN 0.175 nan 8.240 nan 0.000 0.521 81 A N 1.616 124.336 122.820 -0.166 0.000 1.938 81 A HA 0.368 4.688 4.320 -0.000 0.000 0.207 81 A C 2.452 179.966 177.584 -0.118 0.000 1.292 81 A CA 0.084 52.002 52.037 -0.200 0.000 0.700 81 A CB -0.290 18.485 19.000 -0.374 0.000 0.947 81 A HN 0.330 nan 8.150 nan 0.000 0.476 82 R N 0.414 120.855 120.500 -0.100 0.000 2.117 82 R HA -0.171 4.169 4.340 -0.000 0.000 0.243 82 R C 2.045 178.351 176.300 0.010 0.000 1.143 82 R CA 1.550 57.620 56.100 -0.050 0.000 0.968 82 R CB -0.321 29.959 30.300 -0.034 0.000 0.863 82 R HN 0.625 nan 8.270 nan 0.000 0.444 83 N N -0.034 118.681 118.700 0.026 0.000 2.289 83 N HA -0.112 4.628 4.740 -0.000 0.000 0.184 83 N C 0.814 176.416 175.510 0.153 0.000 1.016 83 N CA 1.407 54.504 53.050 0.079 0.000 0.872 83 N CB 0.156 38.679 38.487 0.061 0.000 0.973 83 N HN 0.149 nan 8.380 nan 0.000 0.433 84 T N 0.424 115.059 114.554 0.135 0.000 3.054 84 T HA 0.224 4.574 4.350 -0.000 0.000 0.259 84 T C 1.960 176.726 174.700 0.110 0.000 1.092 84 T CA 0.011 62.229 62.100 0.196 0.000 1.121 84 T CB 0.431 69.409 68.868 0.184 0.000 0.912 84 T HN 0.184 nan 8.240 nan 0.000 0.489 85 I N 1.219 121.817 120.570 0.046 0.000 2.333 85 I HA -0.062 4.108 4.170 -0.000 0.000 0.246 85 I C 1.834 178.063 176.117 0.186 0.000 1.106 85 I CA 0.895 62.216 61.300 0.035 0.000 1.411 85 I CB -0.259 37.711 38.000 -0.050 0.000 1.082 85 I HN 0.061 nan 8.210 nan 0.000 0.420 86 D N 0.211 120.711 120.400 0.167 0.000 2.411 86 D HA -0.206 4.434 4.640 -0.000 0.000 0.226 86 D C 1.530 177.997 176.300 0.278 0.000 0.988 86 D CA 1.148 55.259 54.000 0.184 0.000 0.938 86 D CB 0.037 40.925 40.800 0.146 0.000 0.883 86 D HN 0.406 nan 8.370 nan 0.000 0.525 87 Y N -0.732 119.684 120.300 0.193 0.000 2.479 87 Y HA 0.034 4.584 4.550 -0.000 0.000 0.283 87 Y C 1.569 177.497 175.900 0.047 0.000 1.109 87 Y CA 0.385 58.566 58.100 0.136 0.000 1.239 87 Y CB -0.071 38.438 38.460 0.082 0.000 1.108 87 Y HN -0.211 nan 8.280 nan 0.000 0.548 88 F N -1.024 118.912 119.950 -0.023 0.000 2.234 88 F HA -0.090 4.437 4.527 -0.000 0.000 0.296 88 F C 2.202 178.003 175.800 0.002 0.000 1.089 88 F CA 1.058 59.030 58.000 -0.047 0.000 1.343 88 F CB -1.001 37.993 39.000 -0.009 0.000 1.040 88 F HN -0.173 nan 8.300 nan 0.000 0.498 89 V N 0.213 120.240 119.914 0.190 0.000 2.222 89 V HA -0.338 3.782 4.120 -0.000 0.000 0.240 89 V C 2.051 178.162 176.094 0.028 0.000 1.040 89 V CA 2.243 64.598 62.300 0.092 0.000 0.988 89 V CB -0.933 30.942 31.823 0.086 0.000 0.633 89 V HN 0.178 nan 8.190 nan 0.000 0.452 90 D N -0.931 119.502 120.400 0.056 0.000 2.369 90 D HA -0.229 4.411 4.640 -0.000 0.000 0.213 90 D C 1.541 177.815 176.300 -0.044 0.000 0.982 90 D CA 1.112 55.150 54.000 0.063 0.000 0.931 90 D CB -0.117 40.779 40.800 0.160 0.000 0.889 90 D HN 0.438 nan 8.370 nan 0.000 0.487 91 F N -0.107 119.578 119.950 -0.442 0.000 2.135 91 F HA -0.016 4.511 4.527 -0.000 0.000 0.280 91 F C 2.224 177.657 175.800 -0.613 0.000 1.109 91 F CA 0.756 58.178 58.000 -0.963 0.000 1.163 91 F CB -0.823 37.505 39.000 -1.120 0.000 1.062 91 F HN -0.132 nan 8.300 nan 0.000 0.496 92 V N 1.183 120.786 119.914 -0.518 0.000 2.311 92 V HA -0.407 3.713 4.120 -0.000 0.000 0.256 92 V C 2.164 178.023 176.094 -0.392 0.000 1.077 92 V CA 2.376 64.388 62.300 -0.480 0.000 1.067 92 V CB -1.090 30.641 31.823 -0.153 0.000 0.659 92 V HN 0.449 nan 8.190 nan 0.000 0.451 93 D N 0.525 120.776 120.400 -0.247 0.000 2.108 93 D HA -0.214 4.426 4.640 -0.000 0.000 0.190 93 D C 1.997 178.181 176.300 -0.194 0.000 0.995 93 D CA 1.744 55.656 54.000 -0.147 0.000 0.834 93 D CB -0.416 40.350 40.800 -0.056 0.000 0.967 93 D HN 0.386 nan 8.370 nan 0.000 0.446 94 N N -0.543 118.019 118.700 -0.231 0.000 2.513 94 N HA -0.109 4.631 4.740 -0.000 0.000 0.187 94 N C 1.607 176.929 175.510 -0.313 0.000 1.056 94 N CA 0.434 53.372 53.050 -0.187 0.000 0.907 94 N CB 0.319 38.828 38.487 0.035 0.000 0.954 94 N HN 0.191 nan 8.380 nan 0.000 0.445 95 V N -0.279 119.329 119.914 -0.511 0.000 2.436 95 V HA -0.108 4.012 4.120 -0.000 0.000 0.240 95 V C 2.494 178.437 176.094 -0.252 0.000 1.040 95 V CA 0.683 62.695 62.300 -0.480 0.000 1.052 95 V CB -0.545 30.846 31.823 -0.719 0.000 0.707 95 V HN 0.279 nan 8.190 nan 0.000 0.469 96 C N 0.666 119.836 119.300 -0.216 0.000 2.386 96 C HA -0.264 4.196 4.460 -0.000 0.000 0.279 96 C C 2.995 177.940 174.990 -0.074 0.000 1.208 96 C CA 1.836 60.786 59.018 -0.113 0.000 1.747 96 C CB -1.025 26.664 27.740 -0.084 0.000 2.046 96 C HN 0.525 nan 8.230 nan 0.000 0.453 97 M N 0.469 120.020 119.600 -0.081 0.000 2.116 97 M HA -0.248 4.232 4.480 -0.000 0.000 0.255 97 M C 1.758 178.019 176.300 -0.066 0.000 1.075 97 M CA 2.386 57.649 55.300 -0.061 0.000 1.087 97 M CB -1.110 31.421 32.600 -0.115 0.000 1.340 97 M HN 0.449 nan 8.290 nan 0.000 0.402 98 D N 0.313 120.659 120.400 -0.089 0.000 2.149 98 D HA -0.200 4.440 4.640 -0.000 0.000 0.198 98 D C 1.749 178.039 176.300 -0.016 0.000 0.990 98 D CA 1.310 55.276 54.000 -0.056 0.000 0.839 98 D CB 0.060 40.829 40.800 -0.051 0.000 0.948 98 D HN 0.332 nan 8.370 nan 0.000 0.460 99 E N -1.089 119.103 120.200 -0.014 0.000 2.463 99 E HA 0.163 4.513 4.350 -0.000 0.000 0.193 99 E C 0.726 177.358 176.600 0.053 0.000 1.041 99 E CA 0.030 56.441 56.400 0.017 0.000 0.879 99 E CB -0.069 29.633 29.700 0.003 0.000 0.997 99 E HN 0.275 nan 8.360 nan 0.000 0.478 100 M N 0.375 120.006 119.600 0.052 0.000 2.738 100 M HA 0.131 4.611 4.480 -0.000 0.000 0.295 100 M C 0.313 176.685 176.300 0.121 0.000 1.266 100 M CA -0.069 55.288 55.300 0.095 0.000 0.985 100 M CB 0.834 33.479 32.600 0.075 0.000 1.365 100 M HN 0.189 nan 8.290 nan 0.000 0.492 101 V N -4.462 115.522 119.914 0.117 0.000 3.113 101 V HA 0.287 4.407 4.120 -0.000 0.000 0.252 101 V C 0.557 176.726 176.094 0.125 0.000 1.681 101 V CA -0.523 61.857 62.300 0.133 0.000 1.042 101 V CB -0.013 31.870 31.823 0.101 0.000 0.922 101 V HN 0.243 nan 8.190 nan 0.000 0.407 102 R N 2.939 123.494 120.500 0.090 0.000 2.543 102 R HA 0.569 4.909 4.340 -0.000 0.000 0.277 102 R C -0.431 175.907 176.300 0.064 0.000 1.074 102 R CA 0.471 56.611 56.100 0.065 0.000 1.076 102 R CB 0.400 30.726 30.300 0.044 0.000 0.993 102 R HN 0.776 nan 8.270 nan 0.000 0.459 103 E N 0.682 120.897 120.200 0.025 0.000 2.331 103 E HA 0.396 4.746 4.350 -0.000 0.000 0.275 103 E C -1.374 175.201 176.600 -0.041 0.000 0.895 103 E CA -0.832 55.550 56.400 -0.031 0.000 0.753 103 E CB 2.223 31.863 29.700 -0.101 0.000 1.216 103 E HN 0.350 nan 8.360 nan 0.000 0.434 104 S N 0.754 116.422 115.700 -0.052 0.000 2.599 104 S HA 0.214 4.684 4.470 -0.000 0.000 0.287 104 S C 0.058 174.621 174.600 -0.062 0.000 1.105 104 S CA -0.380 57.796 58.200 -0.041 0.000 0.899 104 S CB 1.750 64.939 63.200 -0.018 0.000 1.100 104 S HN 0.623 nan 8.310 nan 0.000 0.482 105 Q N 2.059 121.828 119.800 -0.051 0.000 2.252 105 Q HA 0.070 4.410 4.340 -0.000 0.000 0.195 105 Q C 2.138 178.112 176.000 -0.043 0.000 0.974 105 Q CA -0.216 55.552 55.803 -0.057 0.000 0.846 105 Q CB -0.350 28.357 28.738 -0.050 0.000 0.943 105 Q HN 0.714 nan 8.270 nan 0.000 0.516 106 R N 1.362 121.843 120.500 -0.031 0.000 2.133 106 R HA -0.151 4.189 4.340 -0.000 0.000 0.245 106 R C 0.277 176.564 176.300 -0.021 0.000 1.137 106 R CA 1.657 57.743 56.100 -0.024 0.000 0.947 106 R CB -0.680 29.610 30.300 -0.017 0.000 0.865 106 R HN 0.174 nan 8.270 nan 0.000 0.437 107 N N -0.071 118.620 118.700 -0.016 0.000 2.703 107 N HA 0.250 4.990 4.740 -0.000 0.000 0.283 107 N C -0.357 175.153 175.510 -0.000 0.000 1.851 107 N CA 0.192 53.238 53.050 -0.006 0.000 0.826 107 N CB 1.301 39.790 38.487 0.003 0.000 1.239 107 N HN 0.391 nan 8.380 nan 0.000 0.495 108 G N -0.181 108.610 108.800 -0.015 0.000 3.233 108 G HA2 0.001 3.961 3.960 -0.000 0.000 0.227 108 G HA3 0.001 3.961 3.960 -0.000 0.000 0.227 108 G C 1.148 176.058 174.900 0.016 0.000 1.175 108 G CA 0.024 45.115 45.100 -0.015 0.000 0.781 108 G HN 0.465 nan 8.290 nan 0.000 0.542 109 I N -0.356 120.233 120.570 0.032 0.000 3.228 109 I HA 0.553 4.723 4.170 -0.000 0.000 0.279 109 I C 1.287 177.494 176.117 0.151 0.000 1.221 109 I CA -0.051 61.289 61.300 0.067 0.000 1.458 109 I CB 0.226 38.235 38.000 0.016 0.000 1.105 109 I HN 0.061 nan 8.210 nan 0.000 0.445 110 A N 0.759 123.652 122.820 0.121 0.000 2.420 110 A HA 0.789 5.109 4.320 -0.000 0.000 0.291 110 A C -2.450 175.201 177.584 0.112 0.000 1.228 110 A CA -1.420 50.706 52.037 0.148 0.000 0.933 110 A CB -0.692 18.368 19.000 0.100 0.000 1.428 110 A HN 0.151 nan 8.150 nan 0.000 0.493 111 P HA 0.213 nan 4.420 nan 0.000 0.271 111 P C -0.172 177.145 177.300 0.029 0.000 1.218 111 P CA 0.073 63.198 63.100 0.041 0.000 0.780 111 P CB 0.757 32.465 31.700 0.014 0.000 0.901 112 Q N 0.308 120.122 119.800 0.022 0.000 2.618 112 Q HA 0.079 4.419 4.340 -0.000 0.000 0.209 112 Q C 0.567 176.572 176.000 0.008 0.000 0.797 112 Q CA 0.457 56.270 55.803 0.017 0.000 0.888 112 Q CB -0.931 27.822 28.738 0.025 0.000 1.244 112 Q HN 0.610 nan 8.270 nan 0.000 0.626 113 S N 2.236 117.942 115.700 0.010 0.000 2.554 113 S HA -0.054 4.416 4.470 -0.000 0.000 0.290 113 S C 0.488 175.088 174.600 0.001 0.000 1.309 113 S CA 0.080 58.285 58.200 0.008 0.000 1.047 113 S CB 0.453 63.658 63.200 0.009 0.000 0.828 113 S HN 0.081 nan 8.310 nan 0.000 0.509 114 D N 1.876 122.279 120.400 0.005 0.000 2.350 114 D HA 0.000 4.640 4.640 -0.000 0.000 0.216 114 D C 1.652 177.944 176.300 -0.014 0.000 0.968 114 D CA 0.942 54.935 54.000 -0.013 0.000 0.894 114 D CB -0.219 40.580 40.800 -0.002 0.000 0.909 114 D HN 0.573 nan 8.370 nan 0.000 0.520 115 S N 0.138 115.862 115.700 0.039 0.000 2.371 115 S HA -0.020 4.450 4.470 -0.000 0.000 0.219 115 S C 1.730 176.386 174.600 0.093 0.000 1.040 115 S CA 0.024 58.302 58.200 0.130 0.000 0.958 115 S CB 0.045 63.320 63.200 0.126 0.000 0.860 115 S HN 0.139 nan 8.310 nan 0.000 0.487 116 L N 2.070 123.306 121.223 0.022 0.000 2.095 116 L HA 0.226 4.566 4.340 -0.000 0.000 0.204 116 L C 2.172 179.007 176.870 -0.058 0.000 1.080 116 L CA 1.479 56.310 54.840 -0.015 0.000 0.759 116 L CB -0.595 41.450 42.059 -0.023 0.000 0.914 116 L HN 0.034 nan 8.230 nan 0.000 0.439 117 R N 0.184 120.653 120.500 -0.052 0.000 2.226 117 R HA -0.230 4.110 4.340 -0.000 0.000 0.246 117 R C 2.200 178.426 176.300 -0.124 0.000 1.161 117 R CA 1.762 57.822 56.100 -0.067 0.000 0.997 117 R CB -0.391 29.880 30.300 -0.048 0.000 0.870 117 R HN 0.414 nan 8.270 nan 0.000 0.465 118 K N -0.706 119.590 120.400 -0.173 0.000 2.361 118 K HA 0.085 4.405 4.320 -0.000 0.000 0.196 118 K C 1.547 177.825 176.600 -0.536 0.000 1.039 118 K CA 0.385 56.489 56.287 -0.304 0.000 1.001 118 K CB 0.203 32.483 32.500 -0.366 0.000 0.795 118 K HN 0.188 nan 8.250 nan 0.000 0.495 119 L N 0.399 121.392 121.223 -0.383 0.000 2.095 119 L HA -0.082 4.258 4.340 -0.000 0.000 0.204 119 L C 2.234 178.908 176.870 -0.327 0.000 1.080 119 L CA 1.084 55.642 54.840 -0.470 0.000 0.759 119 L CB -0.493 41.490 42.059 -0.127 0.000 0.914 119 L HN 0.178 nan 8.230 nan 0.000 0.439 120 S N 0.307 115.900 115.700 -0.177 0.000 2.537 120 S HA -0.030 4.440 4.470 -0.000 0.000 0.240 120 S C 1.332 175.889 174.600 -0.072 0.000 0.981 120 S CA 0.201 58.354 58.200 -0.078 0.000 0.948 120 S CB -1.266 61.910 63.200 -0.039 0.000 0.759 120 S HN 0.345 nan 8.310 nan 0.000 0.531 121 G N 1.080 109.775 108.800 -0.175 0.000 2.670 121 G HA2 0.272 4.232 3.960 -0.000 0.000 0.233 121 G HA3 0.272 4.232 3.960 -0.000 0.000 0.233 121 G C 0.563 175.499 174.900 0.060 0.000 1.251 121 G CA -0.093 44.954 45.100 -0.088 0.000 0.849 121 G HN 0.329 nan 8.290 nan 0.000 0.588 122 L N 0.656 121.939 121.223 0.100 0.000 2.044 122 L HA 0.042 4.382 4.340 -0.000 0.000 0.205 122 L C 2.894 179.873 176.870 0.182 0.000 1.075 122 L CA 2.111 57.025 54.840 0.123 0.000 0.747 122 L CB -0.419 41.690 42.059 0.082 0.000 0.903 122 L HN 0.768 nan 8.230 nan 0.000 0.435 123 K N -1.807 118.727 120.400 0.224 0.000 2.589 123 K HA -0.181 4.139 4.320 -0.000 0.000 0.195 123 K C 1.330 178.019 176.600 0.148 0.000 1.042 123 K CA 1.453 57.846 56.287 0.177 0.000 0.940 123 K CB -0.502 32.092 32.500 0.156 0.000 0.776 123 K HN 0.257 nan 8.250 nan 0.000 0.487 124 F N 1.264 121.225 119.950 0.017 0.000 2.559 124 F HA 0.202 4.729 4.527 -0.000 0.000 0.286 124 F C 1.919 177.730 175.800 0.019 0.000 1.108 124 F CA -0.080 57.930 58.000 0.017 0.000 1.436 124 F CB -0.040 38.980 39.000 0.033 0.000 1.130 124 F HN -0.189 nan 8.300 nan 0.000 0.584 125 K N 0.997 121.527 120.400 0.216 0.000 2.521 125 K HA -0.150 4.170 4.320 -0.000 0.000 0.198 125 K C 1.345 177.999 176.600 0.090 0.000 1.046 125 K CA 0.710 57.079 56.287 0.137 0.000 0.931 125 K CB -0.304 32.261 32.500 0.109 0.000 0.764 125 K HN 0.074 nan 8.250 nan 0.000 0.487 126 R N -0.149 120.382 120.500 0.053 0.000 2.387 126 R HA -0.017 4.323 4.340 -0.000 0.000 0.203 126 R C 0.752 177.050 176.300 -0.003 0.000 1.121 126 R CA 0.565 56.669 56.100 0.007 0.000 1.129 126 R CB -0.144 30.131 30.300 -0.043 0.000 0.905 126 R HN 0.336 nan 8.270 nan 0.000 0.477 127 I N -2.154 118.438 120.570 0.037 0.000 4.228 127 I HA -0.014 4.156 4.170 -0.000 0.000 0.298 127 I C 0.301 176.483 176.117 0.108 0.000 1.206 127 I CA -0.547 60.771 61.300 0.029 0.000 1.322 127 I CB -0.047 37.967 38.000 0.024 0.000 1.411 127 I HN -0.041 nan 8.210 nan 0.000 0.454 128 N N 3.030 121.825 118.700 0.159 0.000 1.863 128 N HA -0.109 4.631 4.740 -0.000 0.000 0.317 128 N C -0.764 174.955 175.510 0.347 0.000 1.256 128 N CA 0.990 54.181 53.050 0.236 0.000 0.793 128 N CB 0.005 38.598 38.487 0.176 0.000 1.017 128 N HN 0.293 nan 8.380 nan 0.000 0.498 129 F N 0.624 120.646 119.950 0.120 0.000 2.842 129 F HA 0.268 4.795 4.527 -0.000 0.000 0.319 129 F C -0.953 174.942 175.800 0.159 0.000 1.159 129 F CA -1.363 56.700 58.000 0.105 0.000 0.902 129 F CB 0.381 39.415 39.000 0.058 0.000 1.311 129 F HN 0.400 nan 8.300 nan 0.000 0.453 130 D N 2.363 122.405 120.400 -0.596 0.000 2.971 130 D HA -0.273 4.367 4.640 -0.000 0.000 0.212 130 D C -0.567 175.666 176.300 -0.111 0.000 1.243 130 D CA 1.059 54.723 54.000 -0.559 0.000 0.781 130 D CB -0.809 39.350 40.800 -1.069 0.000 0.894 130 D HN 0.734 nan 8.370 nan 0.000 0.392 131 N N 0.639 119.351 118.700 0.021 0.000 3.331 131 N HA 0.091 4.831 4.740 -0.000 0.000 0.303 131 N C 0.731 176.210 175.510 -0.052 0.000 1.326 131 N CA 0.112 53.170 53.050 0.013 0.000 1.207 131 N CB 0.413 38.848 38.487 -0.087 0.000 1.477 131 N HN 0.230 nan 8.380 nan 0.000 0.541 132 S N -1.489 114.221 115.700 0.017 0.000 2.540 132 S HA 0.031 4.500 4.470 -0.000 0.000 0.218 132 S C 0.746 175.356 174.600 0.018 0.000 0.977 132 S CA -0.574 57.622 58.200 -0.006 0.000 0.918 132 S CB 0.517 63.711 63.200 -0.010 0.000 0.806 132 S HN 0.142 nan 8.310 nan 0.000 0.496 133 S N 2.200 117.935 115.700 0.058 0.000 2.423 133 S HA 0.183 4.653 4.470 -0.000 0.000 0.302 133 S C 1.127 175.759 174.600 0.053 0.000 1.143 133 S CA -0.389 57.870 58.200 0.099 0.000 1.080 133 S CB -0.026 63.329 63.200 0.259 0.000 1.081 133 S HN 0.576 nan 8.310 nan 0.000 0.522 134 E N 3.523 123.762 120.200 0.064 0.000 2.435 134 E HA -0.333 4.017 4.350 -0.000 0.000 0.242 134 E C 0.480 177.069 176.600 -0.019 0.000 1.125 134 E CA 2.390 58.804 56.400 0.024 0.000 1.067 134 E CB -0.249 29.508 29.700 0.095 0.000 0.903 134 E HN 0.931 nan 8.360 nan 0.000 0.466 135 Y N -0.688 119.613 120.300 0.002 0.000 2.220 135 Y HA -0.110 4.440 4.550 -0.000 0.000 0.291 135 Y C 2.126 178.061 175.900 0.059 0.000 1.129 135 Y CA 1.126 59.288 58.100 0.104 0.000 1.161 135 Y CB -0.321 38.249 38.460 0.184 0.000 0.997 135 Y HN 0.229 nan 8.280 nan 0.000 0.522 136 I N 0.425 121.011 120.570 0.026 0.000 2.252 136 I HA -0.209 3.961 4.170 -0.000 0.000 0.245 136 I C 2.283 178.354 176.117 -0.076 0.000 1.102 136 I CA 1.536 62.760 61.300 -0.126 0.000 1.385 136 I CB -0.736 36.825 38.000 -0.731 0.000 1.064 136 I HN 0.296 nan 8.210 nan 0.000 0.414 137 E N 0.318 120.433 120.200 -0.142 0.000 2.136 137 E HA -0.305 4.045 4.350 -0.000 0.000 0.202 137 E C 1.695 178.217 176.600 -0.130 0.000 1.019 137 E CA 1.778 58.101 56.400 -0.128 0.000 0.819 137 E CB -0.167 29.450 29.700 -0.139 0.000 0.739 137 E HN 0.599 nan 8.360 nan 0.000 0.458 138 N N -0.245 118.340 118.700 -0.191 0.000 2.395 138 N HA -0.103 4.637 4.740 -0.000 0.000 0.175 138 N C 1.449 176.924 175.510 -0.058 0.000 1.029 138 N CA 0.614 53.502 53.050 -0.270 0.000 0.897 138 N CB -0.307 37.719 38.487 -0.769 0.000 0.991 138 N HN 0.420 nan 8.380 nan 0.000 0.441 139 W N 3.165 124.427 121.300 -0.064 0.000 2.353 139 W HA -0.103 4.557 4.660 -0.000 0.000 0.319 139 W C 1.576 178.086 176.519 -0.015 0.000 1.207 139 W CA 1.110 58.462 57.345 0.012 0.000 1.291 139 W CB -0.716 28.764 29.460 0.033 0.000 1.159 139 W HN 0.019 nan 8.180 nan 0.000 0.478 140 N N 1.019 119.898 118.700 0.298 0.000 2.011 140 N HA -0.243 4.497 4.740 -0.000 0.000 0.199 140 N C 1.984 177.486 175.510 -0.013 0.000 1.047 140 N CA 2.605 55.765 53.050 0.184 0.000 0.863 140 N CB -1.171 37.394 38.487 0.131 0.000 1.056 140 N HN 0.241 nan 8.380 nan 0.000 0.427 141 L N 1.191 122.387 121.223 -0.045 0.000 2.283 141 L HA -0.212 4.128 4.340 -0.000 0.000 0.217 141 L C 2.549 179.354 176.870 -0.108 0.000 1.104 141 L CA 1.158 55.953 54.840 -0.075 0.000 0.772 141 L CB -0.404 41.599 42.059 -0.093 0.000 0.899 141 L HN 0.328 nan 8.230 nan 0.000 0.439 142 Q N 0.056 119.752 119.800 -0.173 0.000 2.212 142 Q HA -0.136 4.204 4.340 -0.000 0.000 0.199 142 Q C 1.898 177.755 176.000 -0.238 0.000 0.950 142 Q CA 0.847 56.519 55.803 -0.219 0.000 0.863 142 Q CB 0.020 28.576 28.738 -0.303 0.000 0.944 142 Q HN 0.514 nan 8.270 nan 0.000 0.465 143 N N 1.017 119.556 118.700 -0.267 0.000 2.039 143 N HA -0.128 4.612 4.740 -0.000 0.000 0.193 143 N C 1.773 177.239 175.510 -0.074 0.000 1.044 143 N CA 1.143 54.093 53.050 -0.166 0.000 0.847 143 N CB -0.018 38.447 38.487 -0.035 0.000 1.030 143 N HN 0.213 nan 8.380 nan 0.000 0.422 144 R N 0.309 120.781 120.500 -0.047 0.000 2.148 144 R HA 0.108 4.448 4.340 -0.000 0.000 0.227 144 R C -0.057 176.218 176.300 -0.043 0.000 1.103 144 R CA 0.360 56.444 56.100 -0.027 0.000 0.983 144 R CB 0.129 30.420 30.300 -0.015 0.000 0.874 144 R HN 0.282 nan 8.270 nan 0.000 0.451 145 R N -0.041 120.420 120.500 -0.066 0.000 1.063 145 R HA -0.132 4.208 4.340 -0.000 0.000 0.428 145 R C -0.911 175.357 176.300 -0.054 0.000 1.336 145 R CA 0.139 56.199 56.100 -0.067 0.000 0.920 145 R CB -0.938 29.330 30.300 -0.054 0.000 2.969 145 R HN 0.308 nan 8.270 nan 0.000 0.513 146 Q N -0.245 119.520 119.800 -0.057 0.000 3.089 146 Q HA 0.059 4.399 4.340 -0.000 0.000 0.334 146 Q C -1.264 174.708 176.000 -0.048 0.000 0.833 146 Q CA -1.054 54.720 55.803 -0.047 0.000 0.914 146 Q CB 0.797 29.509 28.738 -0.043 0.000 1.448 146 Q HN 0.591 nan 8.270 nan 0.000 0.495 147 R N 1.699 122.174 120.500 -0.041 0.000 2.808 147 R HA 0.029 4.369 4.340 -0.000 0.000 0.248 147 R C 0.442 176.708 176.300 -0.056 0.000 1.539 147 R CA 1.045 57.123 56.100 -0.038 0.000 1.071 147 R CB -0.467 29.816 30.300 -0.029 0.000 1.172 147 R HN 0.635 nan 8.270 nan 0.000 0.579 148 T N 0.897 115.416 114.554 -0.058 0.000 5.766 148 T HA 0.482 4.832 4.350 -0.000 0.000 0.333 148 T C 0.903 175.532 174.700 -0.118 0.000 0.879 148 T CA 0.050 62.088 62.100 -0.103 0.000 1.262 148 T CB -0.168 68.665 68.868 -0.058 0.000 1.367 148 T HN 0.809 nan 8.240 nan 0.000 0.321 149 G N -0.259 108.474 108.800 -0.112 0.000 2.640 149 G HA2 0.334 4.294 3.960 -0.000 0.000 0.686 149 G HA3 0.334 4.294 3.960 -0.000 0.000 0.686 149 G C -1.210 173.519 174.900 -0.286 0.000 1.229 149 G CA -0.819 44.281 45.100 -0.000 0.000 0.796 149 G HN 0.711 nan 8.290 nan 0.000 0.654 150 F N -0.599 119.432 119.950 0.134 0.000 2.675 150 F HA 0.844 5.371 4.527 -0.000 0.000 0.324 150 F C 0.555 176.425 175.800 0.117 0.000 1.106 150 F CA -0.960 57.051 58.000 0.017 0.000 0.970 150 F CB 1.950 40.849 39.000 -0.167 0.000 1.385 150 F HN 0.474 nan 8.300 nan 0.000 0.489 151 T N 2.129 116.656 114.554 -0.045 0.000 2.792 151 T HA 0.712 5.062 4.350 -0.000 0.000 0.280 151 T C -1.431 173.138 174.700 -0.219 0.000 0.990 151 T CA -0.323 61.798 62.100 0.035 0.000 0.960 151 T CB 0.314 69.191 68.868 0.015 0.000 0.939 151 T HN 0.229 nan 8.240 nan 0.000 0.439 152 F N 1.307 121.329 119.950 0.120 0.000 2.576 152 F HA 0.491 5.018 4.527 -0.000 0.000 0.313 152 F C -0.056 175.828 175.800 0.139 0.000 1.078 152 F CA -1.353 56.713 58.000 0.111 0.000 0.921 152 F CB 1.306 40.349 39.000 0.071 0.000 1.232 152 F HN 0.522 nan 8.300 nan 0.000 0.459 153 H N 1.967 121.154 119.070 0.196 0.000 2.466 153 H HA 0.396 4.952 4.556 -0.000 0.000 0.338 153 H C -0.272 175.119 175.328 0.106 0.000 1.091 153 H CA -1.355 54.764 56.048 0.118 0.000 1.207 153 H CB 1.152 30.954 29.762 0.068 0.000 1.466 153 H HN 0.600 nan 8.280 nan 0.000 0.493 154 K N 3.942 124.222 120.400 -0.199 0.000 3.490 154 K HA -0.136 4.184 4.320 -0.000 0.000 0.273 154 K C -2.331 174.215 176.600 -0.089 0.000 0.916 154 K CA 0.452 56.611 56.287 -0.213 0.000 0.718 154 K CB -0.830 31.413 32.500 -0.429 0.000 1.477 154 K HN 0.614 nan 8.250 nan 0.000 0.452 155 P HA -0.128 nan 4.420 nan 0.000 0.271 155 P C -0.469 176.782 177.300 -0.082 0.000 1.228 155 P CA 0.205 63.284 63.100 -0.035 0.000 0.797 155 P CB 0.491 32.116 31.700 -0.124 0.000 0.914 156 N N 0.830 119.479 118.700 -0.086 0.000 2.904 156 N HA 0.148 4.888 4.740 -0.000 0.000 0.257 156 N C 0.229 175.844 175.510 0.176 0.000 1.363 156 N CA -0.322 52.736 53.050 0.013 0.000 0.856 156 N CB -0.486 37.906 38.487 -0.159 0.000 1.166 156 N HN 0.196 nan 8.380 nan 0.000 0.499 157 I N 0.999 121.502 120.570 -0.112 0.000 3.265 157 I HA 0.355 4.525 4.170 -0.000 0.000 0.282 157 I C -0.351 175.670 176.117 -0.160 0.000 1.207 157 I CA 0.447 61.619 61.300 -0.214 0.000 1.449 157 I CB 0.142 37.856 38.000 -0.477 0.000 1.121 157 I HN 0.136 nan 8.210 nan 0.000 0.442 158 F N 4.209 124.263 119.950 0.173 0.000 2.391 158 F HA 0.412 4.939 4.527 -0.000 0.000 0.359 158 F C -1.899 173.994 175.800 0.155 0.000 1.122 158 F CA -2.561 55.525 58.000 0.143 0.000 1.120 158 F CB 0.243 39.332 39.000 0.149 0.000 1.142 158 F HN -0.059 nan 8.300 nan 0.000 0.483 159 P HA -0.102 nan 4.420 nan 0.000 0.271 159 P C -0.732 176.734 177.300 0.276 0.000 1.218 159 P CA -0.107 63.110 63.100 0.194 0.000 0.780 159 P CB 0.535 32.287 31.700 0.086 0.000 0.901 160 Y N 2.011 122.418 120.300 0.179 0.000 2.717 160 Y HA 0.154 4.704 4.550 -0.000 0.000 0.330 160 Y C 0.354 176.364 175.900 0.183 0.000 1.217 160 Y CA 1.195 59.407 58.100 0.187 0.000 1.506 160 Y CB 0.294 38.844 38.460 0.151 0.000 1.268 160 Y HN 0.338 nan 8.280 nan 0.000 0.561 161 S N 5.110 120.578 115.700 -0.388 0.000 2.689 161 S HA 0.781 5.251 4.470 -0.000 0.000 0.274 161 S C -1.585 172.836 174.600 -0.297 0.000 1.176 161 S CA -0.179 57.929 58.200 -0.154 0.000 1.014 161 S CB 0.255 63.565 63.200 0.183 0.000 1.071 161 S HN 1.103 nan 8.310 nan 0.000 0.478 162 A N 3.353 125.956 122.820 -0.362 0.000 2.375 162 A HA 0.872 5.192 4.320 -0.000 0.000 0.291 162 A C -0.116 177.235 177.584 -0.389 0.000 1.160 162 A CA -0.436 51.392 52.037 -0.348 0.000 0.747 162 A CB 1.349 20.229 19.000 -0.201 0.000 1.170 162 A HN 0.960 nan 8.150 nan 0.000 0.458 163 S N 1.059 116.196 115.700 -0.937 0.000 2.800 163 S HA 0.924 5.394 4.470 -0.000 0.000 0.293 163 S C -1.542 172.260 174.600 -1.331 0.000 1.209 163 S CA -0.262 57.393 58.200 -0.909 0.000 0.884 163 S CB 0.926 63.758 63.200 -0.613 0.000 1.244 163 S HN 1.647 nan 8.310 nan 0.000 0.540 164 F N -0.626 118.783 119.950 -0.903 0.000 2.685 164 F HA 0.848 5.375 4.527 -0.000 0.000 0.315 164 F C -0.996 174.776 175.800 -0.047 0.000 1.126 164 F CA -0.637 57.058 58.000 -0.509 0.000 0.950 164 F CB 1.588 40.520 39.000 -0.113 0.000 1.360 164 F HN 0.378 nan 8.300 nan 0.000 0.469 165 T N 2.857 117.647 114.554 0.392 0.000 3.031 165 T HA 0.460 4.810 4.350 -0.000 0.000 0.305 165 T C -1.020 173.826 174.700 0.242 0.000 0.985 165 T CA -0.460 61.802 62.100 0.269 0.000 1.008 165 T CB 1.187 70.224 68.868 0.282 0.000 1.005 165 T HN 0.645 nan 8.240 nan 0.000 0.444 166 L N 4.062 125.407 121.223 0.205 0.000 2.268 166 L HA 0.375 4.715 4.340 -0.000 0.000 0.289 166 L C 1.194 178.044 176.870 -0.034 0.000 1.064 166 L CA -0.657 54.211 54.840 0.047 0.000 0.824 166 L CB 0.496 42.546 42.059 -0.015 0.000 1.202 166 L HN 0.628 nan 8.230 nan 0.000 0.433 167 N N 2.607 121.260 118.700 -0.078 0.000 2.416 167 N HA -0.016 4.724 4.740 -0.000 0.000 0.177 167 N C 0.521 175.971 175.510 -0.100 0.000 1.036 167 N CA 0.670 53.670 53.050 -0.083 0.000 0.901 167 N CB 0.475 38.905 38.487 -0.095 0.000 0.976 167 N HN 0.521 nan 8.380 nan 0.000 0.444 168 R N 1.026 121.451 120.500 -0.125 0.000 2.515 168 R HA 0.275 4.615 4.340 -0.000 0.000 0.291 168 R C -1.398 174.790 176.300 -0.187 0.000 1.046 168 R CA -0.179 55.843 56.100 -0.130 0.000 0.914 168 R CB 1.278 31.512 30.300 -0.109 0.000 1.191 168 R HN 0.075 nan 8.270 nan 0.000 0.435 169 S N 3.077 118.655 115.700 -0.205 0.000 2.625 169 S HA 0.562 5.032 4.470 -0.000 0.000 0.271 169 S C -1.546 172.878 174.600 -0.293 0.000 1.161 169 S CA -0.889 57.119 58.200 -0.320 0.000 0.820 169 S CB 2.401 65.373 63.200 -0.380 0.000 1.137 169 S HN 0.628 nan 8.310 nan 0.000 0.470 170 Q N -0.960 118.598 119.800 -0.405 0.000 2.482 170 Q HA 0.509 4.849 4.340 -0.000 0.000 0.286 170 Q C -3.040 172.726 176.000 -0.390 0.000 1.007 170 Q CA -1.745 53.888 55.803 -0.284 0.000 0.801 170 Q CB 0.207 28.849 28.738 -0.161 0.000 1.455 170 Q HN 0.351 nan 8.270 nan 0.000 0.398 171 P HA -0.228 nan 4.420 nan 0.000 0.217 171 P C 1.132 178.477 177.300 0.075 0.000 1.158 171 P CA 3.350 66.415 63.100 -0.057 0.000 0.887 171 P CB -0.052 31.647 31.700 -0.002 0.000 0.792 172 A N -1.784 121.060 122.820 0.039 0.000 2.121 172 A HA -0.136 4.184 4.320 -0.000 0.000 0.218 172 A C 0.346 178.068 177.584 0.230 0.000 1.154 172 A CA 0.962 53.077 52.037 0.131 0.000 0.679 172 A CB -1.501 17.546 19.000 0.079 0.000 0.795 172 A HN 0.309 nan 8.150 nan 0.000 0.458 173 H N -0.523 118.543 119.070 -0.008 0.000 2.692 173 H HA -0.140 4.416 4.556 -0.000 0.000 0.316 173 H C 0.168 175.524 175.328 0.046 0.000 1.176 173 H CA 0.944 56.949 56.048 -0.071 0.000 1.142 173 H CB -1.177 28.569 29.762 -0.028 0.000 1.475 173 H HN 0.812 nan 8.280 nan 0.000 0.423 174 D N -1.180 119.297 120.400 0.129 0.000 2.433 174 D HA 0.096 4.736 4.640 -0.000 0.000 0.211 174 D C 0.331 176.826 176.300 0.326 0.000 1.114 174 D CA 0.063 54.221 54.000 0.263 0.000 0.837 174 D CB 0.462 41.380 40.800 0.198 0.000 0.984 174 D HN 0.393 nan 8.370 nan 0.000 0.505 175 N N 0.510 119.260 118.700 0.083 0.000 2.732 175 N HA 0.194 4.934 4.740 -0.000 0.000 0.235 175 N C -1.478 173.908 175.510 -0.206 0.000 1.466 175 N CA -0.298 52.842 53.050 0.150 0.000 0.751 175 N CB 0.175 38.841 38.487 0.298 0.000 1.317 175 N HN -0.031 nan 8.380 nan 0.000 0.525 176 L N 0.421 121.181 121.223 -0.771 0.000 2.387 176 L HA 0.675 5.015 4.340 -0.000 0.000 0.266 176 L C 0.129 176.839 176.870 -0.267 0.000 1.059 176 L CA -0.671 53.789 54.840 -0.633 0.000 0.801 176 L CB 1.409 42.921 42.059 -0.912 0.000 1.223 176 L HN 0.301 nan 8.230 nan 0.000 0.456 177 M N 1.029 120.538 119.600 -0.151 0.000 2.322 177 M HA 0.636 5.116 4.480 -0.000 0.000 0.285 177 M C -0.893 175.209 176.300 -0.331 0.000 1.119 177 M CA -0.084 55.137 55.300 -0.131 0.000 0.953 177 M CB 1.760 34.316 32.600 -0.073 0.000 1.701 177 M HN 0.784 nan 8.290 nan 0.000 0.479 178 G N 2.268 110.610 108.800 -0.763 0.000 2.360 178 G HA2 0.485 4.445 3.960 -0.000 0.000 0.276 178 G HA3 0.485 4.445 3.960 -0.000 0.000 0.276 178 G C -1.447 172.854 174.900 -0.999 0.000 1.256 178 G CA 0.127 44.837 45.100 -0.650 0.000 0.890 178 G HN 0.920 nan 8.290 nan 0.000 0.486 179 T N -2.001 112.316 114.554 -0.395 0.000 2.896 179 T HA 0.753 5.103 4.350 -0.000 0.000 0.297 179 T C -0.247 174.577 174.700 0.207 0.000 1.108 179 T CA -0.371 61.649 62.100 -0.133 0.000 1.004 179 T CB 1.860 70.787 68.868 0.098 0.000 1.159 179 T HN 1.526 nan 8.240 nan 0.000 0.499 180 M N 0.611 120.241 119.600 0.051 0.000 2.501 180 M HA 0.916 5.396 4.480 -0.000 0.000 0.293 180 M C -1.953 174.010 176.300 -0.561 0.000 1.192 180 M CA -0.857 54.229 55.300 -0.356 0.000 0.886 180 M CB 2.244 34.480 32.600 -0.606 0.000 1.710 180 M HN 1.000 nan 8.290 nan 0.000 0.457 181 W N 1.955 122.946 121.300 -0.515 0.000 2.988 181 W HA 0.807 5.467 4.660 -0.000 0.000 0.355 181 W C -2.822 173.771 176.519 0.123 0.000 1.233 181 W CA -1.139 56.058 57.345 -0.247 0.000 1.176 181 W CB 1.002 30.241 29.460 -0.370 0.000 1.477 181 W HN 0.844 nan 8.180 nan 0.000 0.582 182 L N 3.378 124.883 121.223 0.470 0.000 2.491 182 L HA 0.551 4.891 4.340 -0.000 0.000 0.267 182 L C -1.884 175.130 176.870 0.240 0.000 0.971 182 L CA -0.642 54.358 54.840 0.266 0.000 0.857 182 L CB 1.300 43.480 42.059 0.202 0.000 1.226 182 L HN 0.463 nan 8.230 nan 0.000 0.408 183 N N 4.881 123.701 118.700 0.202 0.000 2.424 183 N HA 0.862 5.602 4.740 -0.000 0.000 0.271 183 N C -1.018 174.592 175.510 0.168 0.000 0.985 183 N CA -0.258 52.854 53.050 0.103 0.000 0.921 183 N CB 2.102 40.590 38.487 0.002 0.000 1.149 183 N HN 0.766 nan 8.380 nan 0.000 0.492 184 A N 0.615 123.618 122.820 0.304 0.000 2.512 184 A HA 0.730 5.050 4.320 -0.000 0.000 0.294 184 A C 0.688 178.508 177.584 0.395 0.000 1.054 184 A CA -0.029 52.229 52.037 0.368 0.000 0.756 184 A CB 0.623 19.835 19.000 0.354 0.000 1.293 184 A HN 0.825 nan 8.150 nan 0.000 0.395 185 G N 1.879 110.899 108.800 0.367 0.000 2.601 185 G HA2 -0.184 3.776 3.960 -0.000 0.000 0.306 185 G HA3 -0.184 3.776 3.960 -0.000 0.000 0.306 185 G C 1.270 176.260 174.900 0.149 0.000 1.172 185 G CA 1.316 46.555 45.100 0.232 0.000 0.966 185 G HN 2.340 nan 8.290 nan 0.000 0.542 186 S N 0.365 116.155 115.700 0.150 0.000 2.578 186 S HA 0.535 5.005 4.470 -0.000 0.000 0.231 186 S C 0.304 175.122 174.600 0.363 0.000 0.994 186 S CA 1.033 59.300 58.200 0.112 0.000 0.956 186 S CB 0.872 64.097 63.200 0.042 0.000 0.870 186 S HN 0.905 nan 8.310 nan 0.000 0.494 187 E N 0.652 121.119 120.200 0.446 0.000 2.256 187 E HA 0.683 5.033 4.350 -0.000 0.000 0.267 187 E C -1.531 175.240 176.600 0.286 0.000 0.892 187 E CA -0.927 55.682 56.400 0.349 0.000 0.775 187 E CB 1.501 31.327 29.700 0.209 0.000 1.207 187 E HN 0.365 nan 8.360 nan 0.000 0.420 188 I N 2.759 123.429 120.570 0.167 0.000 2.533 188 I HA 0.276 4.446 4.170 -0.000 0.000 0.290 188 I C -0.738 175.435 176.117 0.093 0.000 1.056 188 I CA -0.595 60.744 61.300 0.065 0.000 1.057 188 I CB 2.101 40.084 38.000 -0.030 0.000 1.240 188 I HN 0.440 nan 8.210 nan 0.000 0.423 189 Q N 4.697 124.573 119.800 0.127 0.000 2.323 189 Q HA 0.704 5.044 4.340 -0.000 0.000 0.271 189 Q C -1.596 174.538 176.000 0.223 0.000 1.048 189 Q CA -0.644 55.241 55.803 0.137 0.000 0.792 189 Q CB 3.718 32.514 28.738 0.097 0.000 1.280 189 Q HN 0.471 nan 8.270 nan 0.000 0.441 190 V N 1.111 121.077 119.914 0.086 0.000 2.808 190 V HA 0.911 5.031 4.120 -0.000 0.000 0.308 190 V C -1.788 174.292 176.094 -0.022 0.000 1.099 190 V CA -0.342 61.947 62.300 -0.018 0.000 0.920 190 V CB 1.913 33.550 31.823 -0.309 0.000 1.014 190 V HN 0.847 nan 8.190 nan 0.000 0.425 191 A N 4.134 126.962 122.820 0.014 0.000 2.386 191 A HA 0.963 5.283 4.320 -0.000 0.000 0.311 191 A C -0.072 177.503 177.584 -0.015 0.000 1.068 191 A CA -0.146 51.922 52.037 0.052 0.000 0.743 191 A CB 1.879 20.993 19.000 0.191 0.000 1.258 191 A HN 1.657 nan 8.150 nan 0.000 0.429 192 G N 0.704 109.395 108.800 -0.182 0.000 2.416 192 G HA2 0.661 4.621 3.960 -0.000 0.000 0.324 192 G HA3 0.661 4.621 3.960 -0.000 0.000 0.324 192 G C -0.729 173.706 174.900 -0.773 0.000 1.194 192 G CA -0.481 43.838 45.100 -1.302 0.000 0.922 192 G HN 1.000 nan 8.290 nan 0.000 0.467 193 F N 0.543 120.272 119.950 -0.368 0.000 2.563 193 F HA 0.794 5.321 4.527 -0.000 0.000 0.316 193 F C -1.035 174.971 175.800 0.345 0.000 1.076 193 F CA -1.809 56.276 58.000 0.141 0.000 0.921 193 F CB 2.780 41.965 39.000 0.309 0.000 1.209 193 F HN 0.314 nan 8.300 nan 0.000 0.462 194 D N 1.958 122.688 120.400 0.550 0.000 2.386 194 D HA 0.201 4.841 4.640 -0.000 0.000 0.247 194 D C -0.131 176.414 176.300 0.409 0.000 1.336 194 D CA -0.507 53.722 54.000 0.382 0.000 0.976 194 D CB 0.440 41.377 40.800 0.230 0.000 1.257 194 D HN 0.701 nan 8.370 nan 0.000 0.570 195 Y N 1.506 121.904 120.300 0.164 0.000 2.256 195 Y HA -0.237 4.313 4.550 -0.000 0.000 0.288 195 Y C 2.458 178.220 175.900 -0.230 0.000 1.155 195 Y CA 1.079 59.255 58.100 0.126 0.000 1.203 195 Y CB 0.255 38.789 38.460 0.125 0.000 0.980 195 Y HN 0.416 nan 8.280 nan 0.000 0.530 196 S N -1.150 114.395 115.700 -0.258 0.000 2.603 196 S HA -0.097 4.373 4.470 -0.000 0.000 0.220 196 S C 1.098 175.428 174.600 -0.450 0.000 0.967 196 S CA 0.193 57.900 58.200 -0.823 0.000 0.920 196 S CB -0.626 62.365 63.200 -0.349 0.000 0.773 196 S HN 0.545 nan 8.310 nan 0.000 0.529 197 C N 1.003 120.161 119.300 -0.236 0.000 4.235 197 C HA -0.134 4.326 4.460 -0.000 0.000 0.301 197 C C 1.399 176.260 174.990 -0.214 0.000 1.409 197 C CA 0.158 59.009 59.018 -0.279 0.000 2.024 197 C CB -3.003 24.380 27.740 -0.596 0.000 1.286 197 C HN 2.154 nan 8.230 nan 0.000 0.746 198 A N -0.844 121.894 122.820 -0.137 0.000 2.799 198 A HA -0.292 4.028 4.320 -0.000 0.000 0.287 198 A C 1.205 178.738 177.584 -0.086 0.000 1.484 198 A CA 1.435 53.409 52.037 -0.106 0.000 0.813 198 A CB -1.800 17.138 19.000 -0.103 0.000 1.009 198 A HN 1.998 nan 8.150 nan 0.000 0.545 199 I N 0.134 120.655 120.570 -0.082 0.000 2.264 199 I HA -0.171 3.999 4.170 -0.000 0.000 0.248 199 I C 1.391 177.510 176.117 0.004 0.000 1.111 199 I CA 2.506 63.793 61.300 -0.023 0.000 1.382 199 I CB -0.218 37.796 38.000 0.024 0.000 1.060 199 I HN 0.515 nan 8.210 nan 0.000 0.418 200 N N 0.525 119.226 118.700 0.002 0.000 2.204 200 N HA 0.320 5.060 4.740 -0.000 0.000 0.219 200 N C 0.029 175.526 175.510 -0.021 0.000 1.151 200 N CA 0.395 53.448 53.050 0.005 0.000 0.867 200 N CB 0.359 38.862 38.487 0.026 0.000 1.043 200 N HN 0.299 nan 8.380 nan 0.000 0.516 201 A N 2.083 124.878 122.820 -0.042 0.000 2.316 201 A HA 0.456 4.776 4.320 -0.000 0.000 0.284 201 A C -2.163 175.387 177.584 -0.057 0.000 1.115 201 A CA -1.262 50.737 52.037 -0.064 0.000 0.812 201 A CB 0.173 19.117 19.000 -0.094 0.000 1.064 201 A HN -0.059 nan 8.150 nan 0.000 0.489 202 P HA 0.177 nan 4.420 nan 0.000 0.263 202 P C 0.455 177.722 177.300 -0.054 0.000 1.195 202 P CA 1.461 64.530 63.100 -0.052 0.000 0.762 202 P CB 0.909 32.574 31.700 -0.058 0.000 0.799 203 A N 3.923 126.719 122.820 -0.040 0.000 2.861 203 A HA -0.302 4.018 4.320 -0.000 0.000 0.261 203 A C 0.817 178.377 177.584 -0.040 0.000 1.351 203 A CA 1.213 53.228 52.037 -0.036 0.000 0.904 203 A CB -2.969 16.008 19.000 -0.038 0.000 1.076 203 A HN 0.711 nan 8.150 nan 0.000 0.729 204 N N -1.796 116.877 118.700 -0.046 0.000 2.721 204 N HA -0.153 4.587 4.740 -0.000 0.000 0.249 204 N C -0.159 175.311 175.510 -0.066 0.000 1.072 204 N CA 1.351 54.369 53.050 -0.054 0.000 0.710 204 N CB -1.101 37.361 38.487 -0.043 0.000 0.993 204 N HN 0.796 nan 8.380 nan 0.000 0.547 205 T N 0.067 114.573 114.554 -0.079 0.000 2.881 205 T HA 0.406 4.756 4.350 -0.000 0.000 0.290 205 T C -0.572 174.035 174.700 -0.154 0.000 1.000 205 T CA -0.557 61.488 62.100 -0.092 0.000 0.978 205 T CB 2.102 70.926 68.868 -0.073 0.000 0.997 205 T HN 0.077 nan 8.240 nan 0.000 0.443 206 Q N 2.585 122.258 119.800 -0.211 0.000 2.322 206 Q HA 0.515 4.855 4.340 -0.000 0.000 0.265 206 Q C -0.679 174.950 176.000 -0.619 0.000 0.985 206 Q CA -0.676 54.882 55.803 -0.410 0.000 0.849 206 Q CB 1.493 29.967 28.738 -0.441 0.000 1.274 206 Q HN 0.557 nan 8.270 nan 0.000 0.449 207 Q N 3.066 122.496 119.800 -0.617 0.000 2.259 207 Q HA 0.569 4.909 4.340 -0.000 0.000 0.249 207 Q C -1.579 173.873 176.000 -0.913 0.000 0.914 207 Q CA 0.143 55.602 55.803 -0.574 0.000 0.904 207 Q CB 0.612 29.147 28.738 -0.337 0.000 1.213 207 Q HN 0.632 nan 8.270 nan 0.000 0.428 208 F N 0.855 120.510 119.950 -0.492 0.000 2.620 208 F HA 0.593 5.120 4.527 -0.000 0.000 0.320 208 F C -0.233 175.172 175.800 -0.658 0.000 1.069 208 F CA -0.862 56.721 58.000 -0.694 0.000 0.953 208 F CB 2.311 40.582 39.000 -1.214 0.000 1.322 208 F HN 0.557 nan 8.300 nan 0.000 0.479 209 E N 0.516 120.595 120.200 -0.203 0.000 2.363 209 E HA 0.310 4.660 4.350 -0.000 0.000 0.281 209 E C -2.223 174.432 176.600 0.091 0.000 0.953 209 E CA -0.753 55.608 56.400 -0.064 0.000 0.778 209 E CB 1.962 31.612 29.700 -0.083 0.000 1.220 209 E HN 0.726 nan 8.360 nan 0.000 0.431 210 H N 3.608 122.693 119.070 0.025 0.000 2.840 210 H HA 0.506 5.062 4.556 -0.000 0.000 0.340 210 H C -1.528 173.725 175.328 -0.125 0.000 1.004 210 H CA -0.324 55.683 56.048 -0.068 0.000 1.288 210 H CB 0.826 30.600 29.762 0.021 0.000 1.607 210 H HN 0.429 nan 8.280 nan 0.000 0.522 211 I N 5.484 125.723 120.570 -0.551 0.000 2.433 211 I HA 0.414 4.584 4.170 -0.000 0.000 0.292 211 I C -0.735 175.037 176.117 -0.575 0.000 1.001 211 I CA -0.986 60.056 61.300 -0.431 0.000 1.119 211 I CB 1.964 39.807 38.000 -0.261 0.000 1.289 211 I HN 0.298 nan 8.210 nan 0.000 0.438 212 V N 5.769 125.450 119.914 -0.387 0.000 2.483 212 V HA 0.338 4.458 4.120 -0.000 0.000 0.297 212 V C -0.499 175.554 176.094 -0.069 0.000 1.027 212 V CA -0.698 61.418 62.300 -0.306 0.000 0.855 212 V CB 1.634 33.222 31.823 -0.392 0.000 0.995 212 V HN 0.664 nan 8.190 nan 0.000 0.424 213 Q N 4.746 124.527 119.800 -0.031 0.000 2.340 213 Q HA 0.564 4.904 4.340 -0.000 0.000 0.259 213 Q C -0.809 175.265 176.000 0.124 0.000 0.964 213 Q CA -0.450 55.382 55.803 0.047 0.000 0.900 213 Q CB 1.916 30.655 28.738 0.001 0.000 1.228 213 Q HN 0.608 nan 8.270 nan 0.000 0.449 214 L N 2.292 123.617 121.223 0.171 0.000 2.439 214 L HA 0.230 4.570 4.340 -0.000 0.000 0.269 214 L C 1.376 178.290 176.870 0.074 0.000 1.179 214 L CA -0.443 54.491 54.840 0.156 0.000 0.828 214 L CB 0.367 42.483 42.059 0.095 0.000 1.106 214 L HN 0.569 nan 8.230 nan 0.000 0.467 215 R N 1.140 121.680 120.500 0.066 0.000 2.240 215 R HA 0.155 4.495 4.340 -0.000 0.000 0.203 215 R C 0.160 176.487 176.300 0.045 0.000 1.011 215 R CA 0.384 56.520 56.100 0.061 0.000 1.007 215 R CB -0.105 30.250 30.300 0.093 0.000 0.911 215 R HN 0.529 nan 8.270 nan 0.000 0.468 216 R N -0.175 120.333 120.500 0.014 0.000 2.740 216 R HA 0.345 4.685 4.340 -0.000 0.000 0.273 216 R C -0.845 175.391 176.300 -0.106 0.000 0.998 216 R CA -1.014 55.068 56.100 -0.029 0.000 0.900 216 R CB 1.940 32.244 30.300 0.007 0.000 1.223 216 R HN -0.213 nan 8.270 nan 0.000 0.466 217 V N 3.456 123.295 119.914 -0.126 0.000 2.715 217 V HA 0.244 4.364 4.120 -0.000 0.000 0.299 217 V C 0.497 176.419 176.094 -0.286 0.000 1.054 217 V CA -0.044 62.130 62.300 -0.210 0.000 1.077 217 V CB 0.806 32.550 31.823 -0.132 0.000 0.972 217 V HN 0.402 nan 8.190 nan 0.000 0.484 218 L N 4.869 125.775 121.223 -0.528 0.000 2.329 218 L HA 0.655 4.995 4.340 -0.000 0.000 0.279 218 L C 0.224 176.886 176.870 -0.347 0.000 1.014 218 L CA -0.352 54.214 54.840 -0.456 0.000 0.814 218 L CB 2.251 43.976 42.059 -0.556 0.000 1.257 218 L HN 0.819 nan 8.230 nan 0.000 0.424 219 T N -3.044 111.441 114.554 -0.115 0.000 2.930 219 T HA 0.408 4.758 4.350 -0.000 0.000 0.290 219 T C 0.362 175.096 174.700 0.056 0.000 1.052 219 T CA 0.025 62.123 62.100 -0.003 0.000 1.017 219 T CB 1.658 70.530 68.868 0.008 0.000 1.137 219 T HN 0.776 nan 8.240 nan 0.000 0.511 220 T N -1.734 112.866 114.554 0.077 0.000 3.852 220 T HA -0.159 4.191 4.350 -0.000 0.000 0.361 220 T C 0.345 175.096 174.700 0.085 0.000 0.759 220 T CA 0.316 62.459 62.100 0.072 0.000 1.899 220 T CB -2.738 66.166 68.868 0.059 0.000 1.822 220 T HN 1.776 nan 8.240 nan 0.000 0.778 221 A N 0.815 123.704 122.820 0.115 0.000 2.362 221 A HA 0.589 4.909 4.320 -0.000 0.000 0.276 221 A C 0.682 178.289 177.584 0.037 0.000 1.153 221 A CA -0.264 51.845 52.037 0.121 0.000 0.813 221 A CB 0.590 19.750 19.000 0.265 0.000 1.081 221 A HN 0.621 nan 8.150 nan 0.000 0.507 222 T N 3.695 118.280 114.554 0.051 0.000 2.733 222 T HA 0.543 4.893 4.350 -0.000 0.000 0.294 222 T C -0.210 174.509 174.700 0.031 0.000 0.956 222 T CA 0.286 62.399 62.100 0.022 0.000 0.987 222 T CB -0.046 68.848 68.868 0.042 0.000 0.920 222 T HN 0.450 nan 8.240 nan 0.000 0.470 223 I N 2.289 122.851 120.570 -0.014 0.000 2.608 223 I HA 0.350 4.520 4.170 -0.000 0.000 0.295 223 I C 0.137 176.267 176.117 0.021 0.000 1.049 223 I CA -0.806 60.507 61.300 0.023 0.000 1.063 223 I CB 2.421 40.424 38.000 0.005 0.000 1.248 223 I HN 0.438 nan 8.210 nan 0.000 0.424 224 T N 6.494 121.087 114.554 0.065 0.000 2.767 224 T HA 0.452 4.802 4.350 -0.000 0.000 0.284 224 T C -0.638 174.118 174.700 0.093 0.000 0.973 224 T CA -0.360 61.779 62.100 0.065 0.000 0.996 224 T CB 0.954 69.865 68.868 0.072 0.000 0.927 224 T HN 0.225 nan 8.240 nan 0.000 0.456 225 L N 5.539 126.825 121.223 0.105 0.000 2.356 225 L HA 0.661 5.001 4.340 -0.000 0.000 0.277 225 L C -1.536 175.477 176.870 0.238 0.000 0.996 225 L CA -0.743 54.197 54.840 0.166 0.000 0.822 225 L CB 1.232 43.388 42.059 0.162 0.000 1.256 225 L HN 0.628 nan 8.230 nan 0.000 0.413 226 L N 6.232 127.547 121.223 0.154 0.000 2.388 226 L HA 0.641 4.981 4.340 -0.000 0.000 0.264 226 L C -2.372 174.361 176.870 -0.228 0.000 0.998 226 L CA -1.721 53.113 54.840 -0.010 0.000 0.817 226 L CB 2.851 44.888 42.059 -0.037 0.000 1.338 226 L HN 0.455 nan 8.230 nan 0.000 0.414 227 P HA 0.249 nan 4.420 nan 0.000 0.276 227 P C -1.397 175.717 177.300 -0.309 0.000 1.244 227 P CA 0.017 62.725 63.100 -0.652 0.000 0.801 227 P CB 0.851 31.939 31.700 -1.019 0.000 1.006 228 D N -1.684 118.588 120.400 -0.214 0.000 10.699 228 D HA -0.060 4.580 4.640 -0.000 0.000 0.332 228 D C -0.853 175.394 176.300 -0.088 0.000 3.140 228 D CA 0.637 54.563 54.000 -0.123 0.000 2.729 228 D CB -1.169 39.571 40.800 -0.100 0.000 1.225 228 D HN 0.525 nan 8.370 nan 0.000 0.945 229 A N 2.061 124.859 122.820 -0.037 0.000 2.536 229 A HA 0.463 4.783 4.320 -0.000 0.000 0.329 229 A C 1.140 178.696 177.584 -0.046 0.000 1.321 229 A CA -0.473 51.559 52.037 -0.009 0.000 0.804 229 A CB 0.421 19.504 19.000 0.139 0.000 1.126 229 A HN 0.426 nan 8.150 nan 0.000 0.480 230 E N 1.099 121.261 120.200 -0.063 0.000 2.130 230 E HA -0.250 4.100 4.350 -0.000 0.000 0.196 230 E C 1.908 178.461 176.600 -0.079 0.000 0.998 230 E CA 1.441 57.821 56.400 -0.033 0.000 0.806 230 E CB -0.000 29.699 29.700 -0.002 0.000 0.738 230 E HN 0.769 nan 8.360 nan 0.000 0.459 231 R N 0.291 120.632 120.500 -0.266 0.000 2.159 231 R HA -0.120 4.220 4.340 -0.000 0.000 0.237 231 R C 0.600 176.292 176.300 -1.014 0.000 1.131 231 R CA 1.102 56.883 56.100 -0.532 0.000 0.982 231 R CB 0.014 29.809 30.300 -0.843 0.000 0.868 231 R HN 0.139 nan 8.270 nan 0.000 0.453 232 F N -0.880 118.913 119.950 -0.261 0.000 2.855 232 F HA 0.296 4.823 4.527 -0.000 0.000 0.317 232 F C 0.666 176.328 175.800 -0.230 0.000 1.169 232 F CA -0.577 57.256 58.000 -0.279 0.000 1.299 232 F CB 1.375 40.353 39.000 -0.036 0.000 0.962 232 F HN -0.103 nan 8.300 nan 0.000 0.506 233 S N 0.063 115.604 115.700 -0.264 0.000 2.578 233 S HA 0.221 4.691 4.470 -0.000 0.000 0.231 233 S C -0.134 174.403 174.600 -0.105 0.000 0.994 233 S CA -0.246 57.884 58.200 -0.116 0.000 0.956 233 S CB -0.140 63.056 63.200 -0.005 0.000 0.870 233 S HN 0.324 nan 8.310 nan 0.000 0.494 234 F N 0.159 120.065 119.950 -0.072 0.000 2.598 234 F HA 0.789 5.316 4.527 -0.000 0.000 0.327 234 F C -3.340 172.370 175.800 -0.151 0.000 1.057 234 F CA -3.690 54.247 58.000 -0.106 0.000 0.957 234 F CB -0.485 38.478 39.000 -0.061 0.000 1.278 234 F HN -0.312 nan 8.300 nan 0.000 0.484 235 P HA 0.273 nan 4.420 nan 0.000 0.264 235 P C -1.075 176.325 177.300 0.167 0.000 1.193 235 P CA 0.015 63.124 63.100 0.016 0.000 0.763 235 P CB 0.506 32.279 31.700 0.121 0.000 0.810 236 R N 1.474 122.029 120.500 0.091 0.000 2.740 236 R HA 0.640 4.980 4.340 -0.000 0.000 0.273 236 R C -1.448 174.890 176.300 0.064 0.000 0.998 236 R CA -1.111 55.047 56.100 0.096 0.000 0.900 236 R CB 2.084 32.394 30.300 0.016 0.000 1.223 236 R HN 0.135 nan 8.270 nan 0.000 0.466 237 V N 4.069 123.977 119.914 -0.009 0.000 2.378 237 V HA 0.477 4.597 4.120 -0.000 0.000 0.288 237 V C -0.316 175.610 176.094 -0.280 0.000 1.016 237 V CA -0.449 61.798 62.300 -0.089 0.000 0.840 237 V CB 1.356 33.171 31.823 -0.013 0.000 0.994 237 V HN 0.533 nan 8.190 nan 0.000 0.431 238 I N 3.915 124.113 120.570 -0.620 0.000 2.693 238 I HA 0.449 4.619 4.170 -0.000 0.000 0.303 238 I C 0.150 175.954 176.117 -0.521 0.000 1.025 238 I CA -0.694 60.157 61.300 -0.747 0.000 1.086 238 I CB 2.137 39.240 38.000 -1.495 0.000 1.268 238 I HN 0.523 nan 8.210 nan 0.000 0.440 239 N N 1.970 120.581 118.700 -0.150 0.000 2.525 239 N HA 0.212 4.952 4.740 -0.000 0.000 0.271 239 N C -0.326 175.390 175.510 0.344 0.000 1.194 239 N CA -0.425 52.668 53.050 0.072 0.000 0.964 239 N CB 0.772 39.319 38.487 0.100 0.000 1.126 239 N HN 0.666 nan 8.380 nan 0.000 0.452 240 S N 0.608 116.511 115.700 0.339 0.000 2.600 240 S HA 0.224 4.694 4.470 -0.000 0.000 0.265 240 S C 1.377 176.238 174.600 0.436 0.000 1.325 240 S CA -0.480 57.967 58.200 0.411 0.000 1.002 240 S CB 1.157 64.457 63.200 0.167 0.000 0.921 240 S HN 0.669 nan 8.310 nan 0.000 0.554 241 A N 1.321 124.402 122.820 0.435 0.000 1.948 241 A HA -0.178 4.142 4.320 -0.000 0.000 0.220 241 A C 1.719 179.369 177.584 0.110 0.000 1.177 241 A CA 1.878 54.031 52.037 0.194 0.000 0.636 241 A CB -1.111 17.956 19.000 0.112 0.000 0.815 241 A HN 0.980 nan 8.150 nan 0.000 0.449 242 D N -2.256 118.219 120.400 0.124 0.000 2.340 242 D HA 0.253 4.893 4.640 -0.000 0.000 0.220 242 D C 1.212 177.562 176.300 0.083 0.000 1.039 242 D CA 0.940 54.990 54.000 0.084 0.000 0.866 242 D CB -0.721 40.126 40.800 0.078 0.000 0.913 242 D HN 0.825 nan 8.370 nan 0.000 0.523 243 G N 0.112 108.977 108.800 0.108 0.000 2.189 243 G HA2 -0.357 3.603 3.960 -0.000 0.000 0.267 243 G HA3 -0.357 3.603 3.960 -0.000 0.000 0.267 243 G C 1.201 176.147 174.900 0.077 0.000 0.975 243 G CA 0.643 45.798 45.100 0.091 0.000 0.644 243 G HN 0.795 nan 8.290 nan 0.000 0.537 244 A N -1.552 121.317 122.820 0.082 0.000 2.067 244 A HA 0.549 4.869 4.320 -0.000 0.000 0.217 244 A C 1.360 178.983 177.584 0.066 0.000 1.156 244 A CA 2.532 54.611 52.037 0.069 0.000 0.683 244 A CB 0.105 19.147 19.000 0.071 0.000 0.808 244 A HN 1.453 nan 8.150 nan 0.000 0.455 245 T N -2.363 112.234 114.554 0.072 0.000 2.648 245 T HA 0.521 4.871 4.350 -0.000 0.000 0.304 245 T C -1.273 173.455 174.700 0.047 0.000 1.312 245 T CA 0.275 62.408 62.100 0.055 0.000 1.023 245 T CB 1.213 70.117 68.868 0.061 0.000 1.612 245 T HN 0.468 nan 8.240 nan 0.000 0.487 246 T N 0.601 115.172 114.554 0.028 0.000 2.893 246 T HA 0.752 5.102 4.350 -0.000 0.000 0.293 246 T C -0.878 173.850 174.700 0.047 0.000 1.027 246 T CA -0.896 61.206 62.100 0.004 0.000 0.988 246 T CB 1.191 70.040 68.868 -0.032 0.000 1.043 246 T HN 0.749 nan 8.240 nan 0.000 0.461 247 W N 1.818 123.014 121.300 -0.174 0.000 2.655 247 W HA 0.695 5.355 4.660 -0.000 0.000 0.358 247 W C -1.723 174.859 176.519 0.104 0.000 1.100 247 W CA -1.802 55.488 57.345 -0.092 0.000 1.195 247 W CB 0.543 29.859 29.460 -0.239 0.000 1.403 247 W HN 0.666 nan 8.180 nan 0.000 0.589 248 Y N 2.562 123.036 120.300 0.290 0.000 2.341 248 Y HA 0.528 5.078 4.550 -0.000 0.000 0.337 248 Y C -1.766 174.388 175.900 0.423 0.000 1.014 248 Y CA -2.669 55.557 58.100 0.210 0.000 1.111 248 Y CB 0.971 39.548 38.460 0.196 0.000 1.194 248 Y HN 0.258 nan 8.280 nan 0.000 0.462 249 F N 7.086 126.830 119.950 -0.343 0.000 2.427 249 F HA 0.424 4.951 4.527 -0.000 0.000 0.348 249 F C -1.067 174.355 175.800 -0.631 0.000 1.125 249 F CA -1.297 56.510 58.000 -0.323 0.000 0.989 249 F CB 0.939 39.731 39.000 -0.347 0.000 1.165 249 F HN 0.586 nan 8.300 nan 0.000 0.442 250 N N 7.720 125.944 118.700 -0.794 0.000 2.841 250 N HA 0.418 5.158 4.740 -0.000 0.000 0.257 250 N C -3.084 171.927 175.510 -0.831 0.000 1.396 250 N CA -2.252 50.234 53.050 -0.941 0.000 0.823 250 N CB 0.947 38.798 38.487 -1.058 0.000 1.162 250 N HN 0.123 nan 8.380 nan 0.000 0.503 251 P HA 0.083 nan 4.420 nan 0.000 0.271 251 P C -0.853 176.288 177.300 -0.266 0.000 1.218 251 P CA -0.289 62.429 63.100 -0.638 0.000 0.780 251 P CB 1.440 32.711 31.700 -0.715 0.000 0.901 252 V N 4.258 124.121 119.914 -0.085 0.000 2.577 252 V HA 0.398 4.518 4.120 -0.000 0.000 0.303 252 V C -0.929 175.211 176.094 0.077 0.000 1.042 252 V CA -0.953 61.361 62.300 0.023 0.000 0.872 252 V CB 1.337 33.216 31.823 0.093 0.000 0.998 252 V HN 0.241 nan 8.190 nan 0.000 0.423 253 I N 7.268 127.871 120.570 0.054 0.000 2.385 253 I HA 0.504 4.674 4.170 -0.000 0.000 0.294 253 I C -0.232 175.928 176.117 0.071 0.000 0.988 253 I CA -0.323 61.014 61.300 0.062 0.000 1.265 253 I CB 1.339 39.357 38.000 0.029 0.000 1.388 253 I HN 0.461 nan 8.210 nan 0.000 0.480 254 L N 5.458 126.728 121.223 0.078 0.000 2.323 254 L HA 0.532 4.872 4.340 -0.000 0.000 0.265 254 L C 0.190 177.095 176.870 0.058 0.000 1.012 254 L CA -0.784 54.098 54.840 0.069 0.000 0.820 254 L CB 1.295 43.395 42.059 0.068 0.000 1.334 254 L HN 0.550 nan 8.230 nan 0.000 0.427 255 R N 1.065 121.595 120.500 0.050 0.000 2.491 255 R HA 0.370 4.710 4.340 -0.000 0.000 0.283 255 R C -2.444 173.912 176.300 0.093 0.000 1.072 255 R CA -1.258 54.868 56.100 0.043 0.000 1.048 255 R CB -0.473 29.853 30.300 0.043 0.000 0.983 255 R HN 0.298 nan 8.270 nan 0.000 0.450 256 P HA -0.002 nan 4.420 nan 0.000 0.271 256 P C -1.172 176.265 177.300 0.228 0.000 1.220 256 P CA -0.200 63.023 63.100 0.205 0.000 0.768 256 P CB 0.817 32.618 31.700 0.168 0.000 0.848 257 N N 3.372 122.207 118.700 0.225 0.000 2.473 257 N HA 0.123 4.863 4.740 -0.000 0.000 0.291 257 N C 0.025 175.637 175.510 0.171 0.000 1.083 257 N CA -0.260 52.892 53.050 0.170 0.000 0.951 257 N CB 0.041 38.599 38.487 0.118 0.000 1.164 257 N HN 0.218 nan 8.380 nan 0.000 0.480 258 N N 0.979 119.757 118.700 0.131 0.000 2.725 258 N HA -0.160 4.580 4.740 -0.000 0.000 0.251 258 N C -1.134 174.454 175.510 0.131 0.000 1.031 258 N CA 0.409 53.519 53.050 0.100 0.000 0.720 258 N CB -1.254 37.270 38.487 0.062 0.000 0.930 258 N HN 0.288 nan 8.380 nan 0.000 0.543 259 V N 0.594 120.607 119.914 0.165 0.000 2.585 259 V HA 0.034 4.154 4.120 -0.000 0.000 0.296 259 V C 0.856 177.004 176.094 0.091 0.000 1.035 259 V CA 0.552 62.965 62.300 0.188 0.000 1.084 259 V CB 0.915 32.876 31.823 0.231 0.000 0.953 259 V HN 0.162 nan 8.190 nan 0.000 0.483 260 E N 3.533 123.796 120.200 0.105 0.000 2.274 260 E HA 0.462 4.812 4.350 -0.000 0.000 0.269 260 E C -1.559 175.065 176.600 0.040 0.000 0.891 260 E CA -0.541 55.890 56.400 0.052 0.000 0.784 260 E CB 2.471 32.189 29.700 0.029 0.000 1.225 260 E HN 0.423 nan 8.360 nan 0.000 0.412 261 V N 3.111 123.041 119.914 0.026 0.000 2.398 261 V HA 0.301 4.421 4.120 -0.000 0.000 0.286 261 V C -0.264 175.742 176.094 -0.147 0.000 1.026 261 V CA -0.549 61.705 62.300 -0.077 0.000 0.868 261 V CB 1.563 33.362 31.823 -0.041 0.000 0.982 261 V HN 0.626 nan 8.190 nan 0.000 0.443 262 E N 3.915 123.939 120.200 -0.293 0.000 2.210 262 E HA 0.533 4.883 4.350 -0.000 0.000 0.266 262 E C -1.642 174.688 176.600 -0.450 0.000 0.883 262 E CA -0.495 55.764 56.400 -0.236 0.000 0.761 262 E CB 2.343 31.972 29.700 -0.118 0.000 1.156 262 E HN 0.531 nan 8.360 nan 0.000 0.412 263 F N 3.018 122.936 119.950 -0.054 0.000 2.361 263 F HA 0.329 4.856 4.527 -0.000 0.000 0.364 263 F C -0.469 175.363 175.800 0.054 0.000 1.117 263 F CA -0.730 57.218 58.000 -0.086 0.000 1.071 263 F CB 0.539 39.373 39.000 -0.276 0.000 1.188 263 F HN 0.172 nan 8.300 nan 0.000 0.464 264 L N 4.095 125.447 121.223 0.215 0.000 2.334 264 L HA 0.658 4.998 4.340 -0.000 0.000 0.270 264 L C -0.969 176.029 176.870 0.213 0.000 1.018 264 L CA -0.891 54.050 54.840 0.167 0.000 0.811 264 L CB 1.630 43.736 42.059 0.078 0.000 1.271 264 L HN 0.428 nan 8.230 nan 0.000 0.443 265 L N 2.789 124.098 121.223 0.143 0.000 2.404 265 L HA 0.535 4.875 4.340 -0.000 0.000 0.272 265 L C -0.438 176.469 176.870 0.063 0.000 0.980 265 L CA -0.028 54.879 54.840 0.112 0.000 0.836 265 L CB 0.966 43.088 42.059 0.106 0.000 1.238 265 L HN 0.604 nan 8.230 nan 0.000 0.408 266 N N 4.236 122.964 118.700 0.046 0.000 2.727 266 N HA -0.221 4.519 4.740 -0.000 0.000 0.249 266 N C 0.988 176.510 175.510 0.020 0.000 1.048 266 N CA 1.338 54.403 53.050 0.024 0.000 0.714 266 N CB -1.255 37.241 38.487 0.016 0.000 0.959 266 N HN 1.298 nan 8.380 nan 0.000 0.544 267 G N -1.697 107.118 108.800 0.024 0.000 2.225 267 G HA2 -0.331 3.629 3.960 -0.000 0.000 0.254 267 G HA3 -0.331 3.629 3.960 -0.000 0.000 0.254 267 G C -0.140 174.769 174.900 0.015 0.000 0.988 267 G CA 0.498 45.605 45.100 0.013 0.000 0.625 267 G HN 0.438 nan 8.290 nan 0.000 0.527 268 Q N 0.194 120.010 119.800 0.027 0.000 2.241 268 Q HA 0.587 4.927 4.340 -0.000 0.000 0.254 268 Q C 0.638 176.662 176.000 0.039 0.000 0.917 268 Q CA -0.614 55.204 55.803 0.025 0.000 0.919 268 Q CB 1.540 30.294 28.738 0.026 0.000 1.237 268 Q HN 0.497 nan 8.270 nan 0.000 0.434 269 I N 3.529 124.113 120.570 0.024 0.000 2.517 269 I HA -0.074 4.096 4.170 -0.000 0.000 0.285 269 I C 1.044 177.186 176.117 0.041 0.000 1.106 269 I CA -0.029 61.288 61.300 0.029 0.000 1.402 269 I CB 0.446 38.444 38.000 -0.002 0.000 1.399 269 I HN 0.508 nan 8.210 nan 0.000 0.535 270 I N 4.951 125.571 120.570 0.083 0.000 2.810 270 I HA 0.109 4.279 4.170 -0.000 0.000 0.262 270 I C 0.433 176.581 176.117 0.052 0.000 1.131 270 I CA 0.670 62.020 61.300 0.083 0.000 1.453 270 I CB -0.608 37.476 38.000 0.140 0.000 1.161 270 I HN 0.551 nan 8.210 nan 0.000 0.444 271 N N -0.431 118.322 118.700 0.088 0.000 2.225 271 N HA 0.433 5.173 4.740 -0.000 0.000 0.298 271 N C -0.717 174.771 175.510 -0.036 0.000 1.076 271 N CA -0.196 52.848 53.050 -0.011 0.000 0.792 271 N CB 2.646 41.179 38.487 0.077 0.000 1.498 271 N HN -0.122 nan 8.380 nan 0.000 0.474 272 T N 1.027 115.384 114.554 -0.328 0.000 2.952 272 T HA 0.552 4.902 4.350 -0.000 0.000 0.305 272 T C -1.990 172.386 174.700 -0.539 0.000 1.064 272 T CA -0.373 61.571 62.100 -0.260 0.000 1.008 272 T CB 0.371 69.157 68.868 -0.137 0.000 1.078 272 T HN 0.362 nan 8.240 nan 0.000 0.459 273 Y N 2.474 122.795 120.300 0.037 0.000 2.373 273 Y HA 0.541 5.091 4.550 -0.000 0.000 0.336 273 Y C -0.054 175.817 175.900 -0.048 0.000 0.979 273 Y CA -1.020 57.080 58.100 -0.000 0.000 1.080 273 Y CB 2.289 40.764 38.460 0.024 0.000 1.190 273 Y HN 0.455 nan 8.280 nan 0.000 0.446 274 Q N 2.302 122.140 119.800 0.064 0.000 2.372 274 Q HA 0.614 4.954 4.340 -0.000 0.000 0.259 274 Q C 0.121 176.076 176.000 -0.076 0.000 0.993 274 Q CA 0.108 55.909 55.803 -0.004 0.000 0.854 274 Q CB 1.532 30.266 28.738 -0.007 0.000 1.231 274 Q HN 0.821 nan 8.270 nan 0.000 0.462 275 A N 3.151 125.870 122.820 -0.169 0.000 2.783 275 A HA -0.279 4.041 4.320 -0.000 0.000 0.292 275 A C 0.117 177.299 177.584 -0.669 0.000 1.495 275 A CA 1.327 53.117 52.037 -0.412 0.000 0.787 275 A CB -1.363 17.550 19.000 -0.146 0.000 1.017 275 A HN 0.592 nan 8.150 nan 0.000 0.516 276 R N -0.341 119.823 120.500 -0.560 0.000 2.215 276 R HA 0.620 4.960 4.340 -0.000 0.000 0.337 276 R C -0.674 175.320 176.300 -0.509 0.000 1.010 276 R CA -0.448 55.405 56.100 -0.411 0.000 0.871 276 R CB 0.183 30.408 30.300 -0.126 0.000 1.134 276 R HN 0.318 nan 8.270 nan 0.000 0.477 277 F N 3.097 123.052 119.950 0.008 0.000 2.397 277 F HA 0.661 5.188 4.527 -0.000 0.000 0.331 277 F C 1.423 177.213 175.800 -0.017 0.000 1.090 277 F CA 0.508 58.505 58.000 -0.005 0.000 1.065 277 F CB 2.036 41.039 39.000 0.006 0.000 1.184 277 F HN 0.798 nan 8.300 nan 0.000 0.499 278 G N 0.921 109.821 108.800 0.165 0.000 2.358 278 G HA2 -0.077 3.883 3.960 -0.000 0.000 0.198 278 G HA3 -0.077 3.883 3.960 -0.000 0.000 0.198 278 G C -1.056 173.856 174.900 0.019 0.000 1.220 278 G CA -0.917 44.228 45.100 0.076 0.000 1.187 278 G HN 0.615 nan 8.290 nan 0.000 0.544 279 T N 1.872 116.417 114.554 -0.014 0.000 2.744 279 T HA 0.614 4.964 4.350 -0.000 0.000 0.291 279 T C 0.417 175.040 174.700 -0.127 0.000 0.957 279 T CA 0.478 62.550 62.100 -0.046 0.000 1.002 279 T CB 0.461 69.318 68.868 -0.018 0.000 0.919 279 T HN 1.077 nan 8.240 nan 0.000 0.468 280 I N 0.329 120.775 120.570 -0.207 0.000 2.828 280 I HA 0.663 4.833 4.170 -0.000 0.000 0.302 280 I C -1.240 174.705 176.117 -0.287 0.000 1.101 280 I CA -1.491 59.563 61.300 -0.410 0.000 1.031 280 I CB 1.884 39.333 38.000 -0.918 0.000 1.231 280 I HN 0.270 nan 8.210 nan 0.000 0.427 281 I N 3.598 124.046 120.570 -0.204 0.000 2.377 281 I HA 0.558 4.728 4.170 -0.000 0.000 0.293 281 I C 0.264 176.294 176.117 -0.145 0.000 0.987 281 I CA -0.617 60.618 61.300 -0.109 0.000 1.185 281 I CB 1.463 39.459 38.000 -0.007 0.000 1.341 281 I HN 0.815 nan 8.210 nan 0.000 0.455 282 A N 6.967 129.598 122.820 -0.315 0.000 2.293 282 A HA 0.490 4.810 4.320 -0.000 0.000 0.312 282 A C 1.003 178.570 177.584 -0.029 0.000 1.309 282 A CA -0.731 51.006 52.037 -0.500 0.000 0.839 282 A CB 0.474 18.582 19.000 -1.487 0.000 1.155 282 A HN 0.817 nan 8.150 nan 0.000 0.501 283 R N 1.822 122.354 120.500 0.054 0.000 2.240 283 R HA 0.127 4.467 4.340 -0.000 0.000 0.203 283 R C 0.141 176.530 176.300 0.148 0.000 1.011 283 R CA 1.180 57.339 56.100 0.099 0.000 1.007 283 R CB 0.143 30.483 30.300 0.066 0.000 0.911 283 R HN 0.635 nan 8.270 nan 0.000 0.468 284 N N -0.074 118.775 118.700 0.250 0.000 3.063 284 N HA 0.188 4.928 4.740 -0.000 0.000 0.242 284 N C -1.832 173.863 175.510 0.309 0.000 1.146 284 N CA -0.765 52.392 53.050 0.179 0.000 0.974 284 N CB 0.965 39.512 38.487 0.099 0.000 1.584 284 N HN 0.177 nan 8.380 nan 0.000 0.636 285 F N 1.465 121.465 119.950 0.084 0.000 2.678 285 F HA 0.500 5.027 4.527 -0.000 0.000 0.308 285 F C -0.885 174.983 175.800 0.114 0.000 1.118 285 F CA -0.830 57.249 58.000 0.131 0.000 0.959 285 F CB 1.045 40.200 39.000 0.258 0.000 1.305 285 F HN 0.146 nan 8.300 nan 0.000 0.443 286 D N -1.107 119.378 120.400 0.142 0.000 2.500 286 D HA 0.286 4.926 4.640 -0.000 0.000 0.217 286 D C -0.312 176.100 176.300 0.188 0.000 1.159 286 D CA -0.046 53.985 54.000 0.052 0.000 0.828 286 D CB 0.901 41.715 40.800 0.023 0.000 1.039 286 D HN 0.528 nan 8.370 nan 0.000 0.512 287 T N 0.321 115.084 114.554 0.348 0.000 2.982 287 T HA 0.524 4.874 4.350 -0.000 0.000 0.321 287 T C -0.833 174.022 174.700 0.258 0.000 1.229 287 T CA -0.575 61.676 62.100 0.250 0.000 1.044 287 T CB 1.940 70.872 68.868 0.106 0.000 1.184 287 T HN -0.003 nan 8.240 nan 0.000 0.477 288 I N 2.179 122.810 120.570 0.102 0.000 2.465 288 I HA 0.582 4.752 4.170 -0.000 0.000 0.291 288 I C -0.063 175.942 176.117 -0.186 0.000 1.014 288 I CA -0.884 60.330 61.300 -0.143 0.000 1.093 288 I CB 2.023 39.961 38.000 -0.103 0.000 1.267 288 I HN 0.268 nan 8.210 nan 0.000 0.431 289 R N 6.550 126.903 120.500 -0.245 0.000 2.476 289 R HA 0.611 4.951 4.340 -0.000 0.000 0.305 289 R C -2.070 174.157 176.300 -0.121 0.000 0.965 289 R CA -0.738 55.267 56.100 -0.159 0.000 0.867 289 R CB 1.344 31.571 30.300 -0.121 0.000 1.176 289 R HN 0.495 nan 8.270 nan 0.000 0.447 290 L N 2.898 124.116 121.223 -0.007 0.000 2.287 290 L HA 0.440 4.780 4.340 -0.000 0.000 0.287 290 L C -0.398 176.633 176.870 0.268 0.000 1.022 290 L CA -0.198 54.718 54.840 0.126 0.000 0.814 290 L CB 1.985 44.155 42.059 0.185 0.000 1.217 290 L HN 0.507 nan 8.230 nan 0.000 0.420 291 S N 3.645 119.490 115.700 0.241 0.000 2.482 291 S HA 0.897 5.367 4.470 -0.000 0.000 0.303 291 S C -0.763 174.040 174.600 0.338 0.000 1.091 291 S CA -0.554 57.751 58.200 0.175 0.000 1.057 291 S CB 1.138 64.364 63.200 0.043 0.000 1.031 291 S HN 0.433 nan 8.310 nan 0.000 0.485 292 F N -0.114 119.908 119.950 0.121 0.000 2.693 292 F HA 0.723 5.250 4.527 -0.000 0.000 0.309 292 F C -1.053 174.872 175.800 0.208 0.000 1.129 292 F CA -1.211 56.881 58.000 0.153 0.000 0.948 292 F CB 1.157 40.257 39.000 0.167 0.000 1.315 292 F HN 0.364 nan 8.300 nan 0.000 0.447 293 Q N 1.461 121.423 119.800 0.269 0.000 2.451 293 Q HA 0.680 5.020 4.340 -0.000 0.000 0.281 293 Q C -1.936 174.227 176.000 0.272 0.000 1.099 293 Q CA -1.345 54.549 55.803 0.152 0.000 0.806 293 Q CB 3.349 32.106 28.738 0.032 0.000 1.419 293 Q HN 0.757 nan 8.270 nan 0.000 0.427 294 L N 1.522 122.875 121.223 0.218 0.000 2.305 294 L HA 0.595 4.935 4.340 -0.000 0.000 0.284 294 L C -1.348 175.556 176.870 0.056 0.000 1.013 294 L CA -0.147 54.817 54.840 0.207 0.000 0.819 294 L CB 1.348 43.592 42.059 0.308 0.000 1.227 294 L HN 0.726 nan 8.230 nan 0.000 0.417 295 M N 5.363 124.984 119.600 0.035 0.000 2.167 295 M HA 0.464 4.944 4.480 -0.000 0.000 0.333 295 M C -0.407 175.866 176.300 -0.046 0.000 1.030 295 M CA -0.715 54.579 55.300 -0.010 0.000 0.963 295 M CB 1.149 33.753 32.600 0.007 0.000 1.589 295 M HN 0.800 nan 8.290 nan 0.000 0.431 296 R N 5.846 126.296 120.500 -0.083 0.000 2.502 296 R HA 0.204 4.544 4.340 -0.000 0.000 0.292 296 R C -2.394 173.861 176.300 -0.076 0.000 0.998 296 R CA -0.910 55.110 56.100 -0.134 0.000 1.056 296 R CB 0.149 30.373 30.300 -0.127 0.000 0.939 296 R HN 0.379 nan 8.270 nan 0.000 0.411 297 P HA 0.004 nan 4.420 nan 0.000 0.262 297 P C -2.035 175.270 177.300 0.008 0.000 1.199 297 P CA -0.897 62.199 63.100 -0.007 0.000 0.763 297 P CB 0.639 32.357 31.700 0.030 0.000 0.790 298 P HA -0.102 nan 4.420 nan 0.000 0.221 298 P C -0.171 177.144 177.300 0.026 0.000 1.150 298 P CA 1.380 64.489 63.100 0.015 0.000 0.800 298 P CB 0.508 32.215 31.700 0.012 0.000 0.787 299 N N 0.296 119.015 118.700 0.031 0.000 2.346 299 N HA 0.399 5.139 4.740 -0.000 0.000 0.289 299 N C -0.530 175.008 175.510 0.047 0.000 1.027 299 N CA -0.279 52.792 53.050 0.035 0.000 0.864 299 N CB 1.899 40.403 38.487 0.029 0.000 1.370 299 N HN -0.003 nan 8.380 nan 0.000 0.481 300 M N 0.958 120.590 119.600 0.053 0.000 2.327 300 M HA 0.259 4.739 4.480 -0.000 0.000 0.298 300 M C 0.359 176.684 176.300 0.042 0.000 1.065 300 M CA -0.823 54.516 55.300 0.064 0.000 0.916 300 M CB 2.228 34.889 32.600 0.101 0.000 1.630 300 M HN 0.437 nan 8.290 nan 0.000 0.442 301 T N -0.715 113.858 114.554 0.031 0.000 2.813 301 T HA 0.241 4.591 4.350 -0.000 0.000 0.297 301 T C -2.110 172.593 174.700 0.006 0.000 1.036 301 T CA -1.192 60.916 62.100 0.014 0.000 1.044 301 T CB 0.287 69.158 68.868 0.006 0.000 0.993 301 T HN 0.359 nan 8.240 nan 0.000 0.535 302 P HA -0.142 nan 4.420 nan 0.000 0.216 302 P C 1.762 179.040 177.300 -0.037 0.000 1.157 302 P CA 1.830 64.923 63.100 -0.012 0.000 0.880 302 P CB -0.382 31.311 31.700 -0.012 0.000 0.791 303 A N -0.940 121.851 122.820 -0.048 0.000 1.940 303 A HA -0.180 4.140 4.320 -0.000 0.000 0.219 303 A C 2.321 179.825 177.584 -0.133 0.000 1.176 303 A CA 2.008 53.994 52.037 -0.086 0.000 0.631 303 A CB -1.660 17.296 19.000 -0.074 0.000 0.814 303 A HN 0.068 nan 8.150 nan 0.000 0.446 304 V N -0.475 119.388 119.914 -0.085 0.000 2.346 304 V HA -0.141 3.979 4.120 -0.000 0.000 0.244 304 V C 3.039 179.072 176.094 -0.101 0.000 1.037 304 V CA 1.619 63.866 62.300 -0.088 0.000 1.029 304 V CB -1.240 30.610 31.823 0.046 0.000 0.663 304 V HN 0.597 nan 8.190 nan 0.000 0.454 305 A N 0.374 123.189 122.820 -0.009 0.000 1.948 305 A HA -0.212 4.108 4.320 -0.000 0.000 0.220 305 A C 2.367 179.932 177.584 -0.032 0.000 1.177 305 A CA 2.244 54.302 52.037 0.035 0.000 0.636 305 A CB -0.793 18.230 19.000 0.039 0.000 0.815 305 A HN 0.607 nan 8.150 nan 0.000 0.449 306 A N -0.619 122.141 122.820 -0.100 0.000 2.070 306 A HA 0.055 4.375 4.320 -0.000 0.000 0.220 306 A C 2.022 179.482 177.584 -0.206 0.000 1.159 306 A CA 1.375 53.343 52.037 -0.114 0.000 0.656 306 A CB -0.493 18.439 19.000 -0.113 0.000 0.800 306 A HN 0.510 nan 8.150 nan 0.000 0.453 307 L N -2.398 118.542 121.223 -0.472 0.000 2.270 307 L HA 0.109 4.449 4.340 -0.000 0.000 0.210 307 L C 0.054 176.549 176.870 -0.625 0.000 1.104 307 L CA 0.358 54.737 54.840 -0.768 0.000 0.804 307 L CB -0.102 41.103 42.059 -1.423 0.000 0.937 307 L HN 0.371 nan 8.230 nan 0.000 0.450 308 F N 1.475 121.463 119.950 0.063 0.000 2.371 308 F HA 0.358 4.885 4.527 -0.000 0.000 0.343 308 F C -1.947 173.924 175.800 0.119 0.000 1.150 308 F CA -2.255 55.795 58.000 0.084 0.000 1.220 308 F CB 0.211 39.229 39.000 0.030 0.000 1.475 308 F HN -0.129 nan 8.300 nan 0.000 0.521 309 P HA 0.164 nan 4.420 nan 0.000 0.274 309 P C -0.301 177.195 177.300 0.328 0.000 1.256 309 P CA -0.189 63.074 63.100 0.271 0.000 0.795 309 P CB 1.311 33.162 31.700 0.252 0.000 1.038 310 N N -0.806 118.034 118.700 0.233 0.000 2.457 310 N HA 0.121 4.861 4.740 -0.000 0.000 0.180 310 N C 0.475 176.139 175.510 0.257 0.000 1.050 310 N CA 0.364 53.546 53.050 0.219 0.000 0.906 310 N CB 0.044 38.612 38.487 0.135 0.000 0.968 310 N HN 0.490 nan 8.380 nan 0.000 0.445 311 A N 0.020 122.966 122.820 0.210 0.000 2.469 311 A HA 0.415 4.735 4.320 -0.000 0.000 0.299 311 A C -0.702 176.779 177.584 -0.172 0.000 1.098 311 A CA -0.753 51.316 52.037 0.055 0.000 0.737 311 A CB 1.196 20.204 19.000 0.014 0.000 1.312 311 A HN 0.035 nan 8.150 nan 0.000 0.414 312 Q N 1.260 120.719 119.800 -0.569 0.000 2.524 312 Q HA 0.288 4.628 4.340 -0.000 0.000 0.246 312 Q C -1.866 173.971 176.000 -0.272 0.000 1.063 312 Q CA -1.147 54.183 55.803 -0.788 0.000 0.945 312 Q CB -0.018 28.316 28.738 -0.673 0.000 1.292 312 Q HN 0.599 nan 8.270 nan 0.000 0.518 313 P HA 0.041 nan 4.420 nan 0.000 0.271 313 P C -1.237 176.067 177.300 0.006 0.000 1.216 313 P CA 0.348 63.377 63.100 -0.118 0.000 0.771 313 P CB 0.325 32.032 31.700 0.012 0.000 0.864 314 F N 1.515 121.588 119.950 0.205 0.000 2.350 314 F HA 0.193 4.720 4.527 -0.000 0.000 0.365 314 F C 1.575 177.508 175.800 0.222 0.000 1.122 314 F CA -0.405 57.744 58.000 0.249 0.000 1.139 314 F CB 1.091 40.296 39.000 0.341 0.000 1.220 314 F HN 0.342 nan 8.300 nan 0.000 0.499 315 E N 1.468 121.795 120.200 0.212 0.000 2.415 315 E HA 0.047 4.397 4.350 -0.000 0.000 0.197 315 E C -0.112 176.025 176.600 -0.771 0.000 1.007 315 E CA 0.275 56.573 56.400 -0.170 0.000 0.890 315 E CB 0.477 30.069 29.700 -0.179 0.000 0.891 315 E HN 0.521 nan 8.360 nan 0.000 0.496 316 H N 0.489 119.389 119.070 -0.283 0.000 2.589 316 H HA 0.281 4.837 4.556 -0.000 0.000 0.335 316 H C -0.846 174.358 175.328 -0.206 0.000 1.019 316 H CA -0.433 55.383 56.048 -0.387 0.000 1.213 316 H CB 0.761 30.358 29.762 -0.274 0.000 1.472 316 H HN 0.144 nan 8.280 nan 0.000 0.508 317 H N 1.227 120.228 119.070 -0.115 0.000 2.641 317 H HA 0.371 4.927 4.556 -0.000 0.000 0.295 317 H C 0.249 175.644 175.328 0.113 0.000 1.070 317 H CA -0.832 55.151 56.048 -0.109 0.000 1.257 317 H CB 0.878 30.320 29.762 -0.533 0.000 1.393 317 H HN 0.673 nan 8.280 nan 0.000 0.464 318 A N 3.913 126.930 122.820 0.329 0.000 2.566 318 A HA 0.180 4.500 4.320 -0.000 0.000 0.245 318 A C 0.149 177.906 177.584 0.288 0.000 1.056 318 A CA 0.289 52.465 52.037 0.232 0.000 0.757 318 A CB -0.084 18.924 19.000 0.014 0.000 0.979 318 A HN 0.708 nan 8.150 nan 0.000 0.508 319 T N 2.010 116.705 114.554 0.235 0.000 2.916 319 T HA 0.572 4.922 4.350 -0.000 0.000 0.298 319 T C -0.389 174.415 174.700 0.172 0.000 1.031 319 T CA -0.177 62.078 62.100 0.258 0.000 0.993 319 T CB 1.444 70.492 68.868 0.300 0.000 1.045 319 T HN 1.354 nan 8.240 nan 0.000 0.454 320 V N 0.019 120.028 119.914 0.157 0.000 2.823 320 V HA 1.107 5.227 4.120 -0.000 0.000 0.312 320 V C -0.026 176.098 176.094 0.051 0.000 1.072 320 V CA -0.600 61.785 62.300 0.143 0.000 0.937 320 V CB 1.603 33.594 31.823 0.280 0.000 1.013 320 V HN 1.130 nan 8.190 nan 0.000 0.430 321 G N 1.929 110.668 108.800 -0.103 0.000 2.687 321 G HA2 0.771 4.731 3.960 -0.000 0.000 0.291 321 G HA3 0.771 4.731 3.960 -0.000 0.000 0.291 321 G C -1.899 172.770 174.900 -0.385 0.000 1.420 321 G CA -0.920 44.001 45.100 -0.299 0.000 0.796 321 G HN 0.898 nan 8.290 nan 0.000 0.485 322 L N -0.518 120.474 121.223 -0.385 0.000 2.424 322 L HA 0.703 5.043 4.340 -0.000 0.000 0.258 322 L C -0.668 176.136 176.870 -0.109 0.000 0.995 322 L CA -0.809 53.886 54.840 -0.243 0.000 0.821 322 L CB 2.932 44.821 42.059 -0.284 0.000 1.383 322 L HN 0.533 nan 8.230 nan 0.000 0.410 323 T N 2.691 117.222 114.554 -0.039 0.000 2.879 323 T HA 0.601 4.951 4.350 -0.000 0.000 0.290 323 T C -1.135 173.602 174.700 0.061 0.000 0.993 323 T CA -0.343 61.764 62.100 0.012 0.000 0.975 323 T CB 1.777 70.646 68.868 0.003 0.000 0.981 323 T HN 0.387 nan 8.240 nan 0.000 0.439 324 L N 3.919 125.197 121.223 0.093 0.000 2.409 324 L HA 0.706 5.046 4.340 -0.000 0.000 0.272 324 L C -1.028 175.948 176.870 0.176 0.000 0.980 324 L CA -0.670 54.253 54.840 0.139 0.000 0.826 324 L CB 1.159 43.309 42.059 0.152 0.000 1.268 324 L HN 0.530 nan 8.230 nan 0.000 0.407 325 R N 5.947 126.548 120.500 0.169 0.000 2.513 325 R HA 0.514 4.854 4.340 -0.000 0.000 0.301 325 R C -1.146 175.259 176.300 0.174 0.000 0.968 325 R CA -0.754 55.452 56.100 0.176 0.000 0.872 325 R CB 2.272 32.647 30.300 0.126 0.000 1.177 325 R HN 0.598 nan 8.270 nan 0.000 0.444 326 I N 3.802 124.490 120.570 0.196 0.000 2.294 326 I HA 0.019 4.189 4.170 -0.000 0.000 0.295 326 I C 1.234 177.423 176.117 0.120 0.000 1.098 326 I CA -0.135 61.265 61.300 0.166 0.000 1.277 326 I CB 0.863 38.970 38.000 0.178 0.000 1.434 326 I HN 0.527 nan 8.210 nan 0.000 0.498 327 E N 3.740 124.015 120.200 0.125 0.000 2.047 327 E HA -0.063 4.287 4.350 -0.000 0.000 0.191 327 E C 0.598 177.322 176.600 0.206 0.000 0.987 327 E CA 0.854 57.348 56.400 0.157 0.000 0.799 327 E CB 0.078 29.872 29.700 0.158 0.000 0.752 327 E HN 0.701 nan 8.360 nan 0.000 0.449 328 S N -1.197 114.604 115.700 0.169 0.000 2.570 328 S HA 0.810 5.280 4.470 -0.000 0.000 0.270 328 S C -0.799 173.889 174.600 0.148 0.000 1.149 328 S CA -0.392 57.919 58.200 0.185 0.000 0.837 328 S CB 2.633 65.938 63.200 0.175 0.000 1.124 328 S HN 0.275 nan 8.310 nan 0.000 0.465 329 A N 0.522 123.442 122.820 0.166 0.000 2.566 329 A HA 0.749 5.069 4.320 -0.000 0.000 0.290 329 A C -1.705 175.985 177.584 0.176 0.000 1.071 329 A CA -0.697 51.414 52.037 0.123 0.000 0.658 329 A CB 0.793 19.824 19.000 0.051 0.000 1.285 329 A HN 1.349 nan 8.150 nan 0.000 0.427 330 V N -0.271 119.716 119.914 0.122 0.000 2.628 330 V HA 0.661 4.781 4.120 -0.000 0.000 0.306 330 V C -0.347 175.784 176.094 0.062 0.000 1.045 330 V CA -0.464 61.950 62.300 0.191 0.000 0.905 330 V CB 1.368 33.282 31.823 0.150 0.000 0.997 330 V HN 1.258 nan 8.190 nan 0.000 0.436 331 C N 2.892 122.262 119.300 0.116 0.000 2.626 331 C HA 0.456 4.916 4.460 -0.000 0.000 0.310 331 C C 1.359 176.465 174.990 0.193 0.000 1.191 331 C CA -0.355 58.663 59.018 -0.001 0.000 1.517 331 C CB 1.734 29.323 27.740 -0.251 0.000 2.102 331 C HN 1.082 nan 8.230 nan 0.000 0.479 332 E N 1.161 121.428 120.200 0.111 0.000 2.358 332 E HA 0.045 4.395 4.350 -0.000 0.000 0.195 332 E C 0.299 177.013 176.600 0.190 0.000 1.010 332 E CA 0.579 57.073 56.400 0.157 0.000 0.856 332 E CB 0.358 30.090 29.700 0.054 0.000 0.795 332 E HN 0.680 nan 8.360 nan 0.000 0.504 333 S N 0.168 115.925 115.700 0.094 0.000 2.537 333 S HA 0.282 4.752 4.470 -0.000 0.000 0.301 333 S C -0.370 174.214 174.600 -0.027 0.000 1.092 333 S CA -0.928 57.294 58.200 0.036 0.000 1.048 333 S CB 1.938 65.146 63.200 0.012 0.000 1.053 333 S HN 0.167 nan 8.310 nan 0.000 0.501 334 V N 1.914 121.754 119.914 -0.124 0.000 2.843 334 V HA 0.544 4.664 4.120 -0.000 0.000 0.305 334 V C -0.399 175.804 176.094 0.181 0.000 1.065 334 V CA -0.021 62.202 62.300 -0.128 0.000 1.116 334 V CB -0.433 31.326 31.823 -0.106 0.000 0.968 334 V HN 0.724 nan 8.190 nan 0.000 0.487 335 L N 2.460 123.880 121.223 0.328 0.000 2.479 335 L HA 0.824 5.164 4.340 -0.000 0.000 0.255 335 L C 0.167 177.165 176.870 0.212 0.000 1.026 335 L CA -0.742 54.252 54.840 0.257 0.000 0.842 335 L CB 2.083 44.117 42.059 -0.042 0.000 1.444 335 L HN 0.953 nan 8.230 nan 0.000 0.409 336 A N 0.615 123.192 122.820 -0.404 0.000 2.322 336 A HA 0.637 4.957 4.320 -0.000 0.000 0.269 336 A C -0.981 176.467 177.584 -0.227 0.000 1.094 336 A CA -0.076 51.643 52.037 -0.529 0.000 0.807 336 A CB 0.474 18.677 19.000 -1.329 0.000 1.047 336 A HN 0.781 nan 8.150 nan 0.000 0.487 337 D N -1.019 119.319 120.400 -0.104 0.000 2.812 337 D HA 0.492 5.132 4.640 -0.000 0.000 0.318 337 D C 0.174 176.432 176.300 -0.070 0.000 1.234 337 D CA 0.159 54.157 54.000 -0.004 0.000 0.989 337 D CB 0.968 41.918 40.800 0.251 0.000 1.442 337 D HN 0.483 nan 8.370 nan 0.000 0.537 338 A N -0.675 122.109 122.820 -0.061 0.000 2.251 338 A HA 0.285 4.605 4.320 -0.000 0.000 0.209 338 A C 1.274 178.851 177.584 -0.011 0.000 1.187 338 A CA 0.747 52.737 52.037 -0.079 0.000 0.823 338 A CB -0.338 18.557 19.000 -0.175 0.000 0.846 338 A HN 0.359 nan 8.150 nan 0.000 0.486 339 S N -0.848 114.865 115.700 0.020 0.000 2.741 339 S HA 0.121 4.591 4.470 -0.000 0.000 0.245 339 S C 0.446 175.025 174.600 -0.035 0.000 1.083 339 S CA -0.330 57.889 58.200 0.032 0.000 0.873 339 S CB 0.218 63.476 63.200 0.097 0.000 0.814 339 S HN 0.639 nan 8.310 nan 0.000 0.476 340 E N 1.952 122.112 120.200 -0.067 0.000 2.354 340 E HA 0.163 4.513 4.350 -0.000 0.000 0.269 340 E C 0.435 176.919 176.600 -0.193 0.000 1.036 340 E CA 0.175 56.493 56.400 -0.136 0.000 0.876 340 E CB 0.774 30.383 29.700 -0.152 0.000 1.009 340 E HN 0.359 nan 8.360 nan 0.000 0.416 341 T N -0.146 114.275 114.554 -0.221 0.000 3.086 341 T HA 0.048 4.398 4.350 -0.000 0.000 0.250 341 T C 1.394 175.900 174.700 -0.323 0.000 1.074 341 T CA -0.130 61.835 62.100 -0.226 0.000 0.988 341 T CB 0.054 68.823 68.868 -0.165 0.000 0.988 341 T HN 0.223 nan 8.240 nan 0.000 0.530 342 M N 1.204 120.507 119.600 -0.495 0.000 2.082 342 M HA 0.048 4.528 4.480 -0.000 0.000 0.258 342 M C 1.967 177.816 176.300 -0.752 0.000 1.071 342 M CA 1.466 56.310 55.300 -0.760 0.000 1.103 342 M CB -1.014 30.799 32.600 -1.312 0.000 1.307 342 M HN 0.351 nan 8.290 nan 0.000 0.409 343 L N 0.023 120.778 121.223 -0.780 0.000 2.012 343 L HA -0.149 4.191 4.340 -0.000 0.000 0.210 343 L C 2.336 179.111 176.870 -0.158 0.000 1.073 343 L CA 2.322 56.990 54.840 -0.286 0.000 0.748 343 L CB -1.141 40.805 42.059 -0.189 0.000 0.891 343 L HN 0.292 nan 8.230 nan 0.000 0.431 344 A N -0.590 122.117 122.820 -0.188 0.000 1.933 344 A HA -0.214 4.106 4.320 -0.000 0.000 0.218 344 A C 2.123 179.649 177.584 -0.096 0.000 1.175 344 A CA 1.831 53.797 52.037 -0.118 0.000 0.628 344 A CB -0.780 18.150 19.000 -0.117 0.000 0.814 344 A HN 0.648 nan 8.150 nan 0.000 0.444 345 N N 0.169 118.791 118.700 -0.129 0.000 2.080 345 N HA -0.120 4.620 4.740 -0.000 0.000 0.189 345 N C 1.821 177.310 175.510 -0.035 0.000 1.036 345 N CA 1.721 54.719 53.050 -0.086 0.000 0.846 345 N CB -0.516 37.902 38.487 -0.115 0.000 1.015 345 N HN 0.267 nan 8.380 nan 0.000 0.423 346 V N 1.402 121.300 119.914 -0.027 0.000 2.295 346 V HA -0.203 3.917 4.120 -0.000 0.000 0.246 346 V C 2.279 178.394 176.094 0.034 0.000 1.049 346 V CA 1.841 64.165 62.300 0.040 0.000 1.024 346 V CB -1.024 30.862 31.823 0.105 0.000 0.648 346 V HN 0.349 nan 8.190 nan 0.000 0.447 347 T N -0.349 114.211 114.554 0.010 0.000 2.746 347 T HA -0.174 4.176 4.350 -0.000 0.000 0.267 347 T C 2.130 176.837 174.700 0.012 0.000 1.039 347 T CA 1.828 63.935 62.100 0.012 0.000 1.142 347 T CB -0.261 68.610 68.868 0.004 0.000 0.866 347 T HN 0.482 nan 8.240 nan 0.000 0.444 348 S N 0.773 116.470 115.700 -0.005 0.000 2.368 348 S HA -0.054 4.416 4.470 -0.000 0.000 0.224 348 S C 2.332 176.933 174.600 0.001 0.000 1.029 348 S CA 0.682 58.874 58.200 -0.014 0.000 0.988 348 S CB -0.433 62.749 63.200 -0.030 0.000 0.838 348 S HN 0.266 nan 8.310 nan 0.000 0.462 349 V N 2.018 121.959 119.914 0.046 0.000 2.343 349 V HA -0.165 3.955 4.120 -0.000 0.000 0.247 349 V C 2.430 178.628 176.094 0.174 0.000 1.051 349 V CA 1.639 64.018 62.300 0.131 0.000 1.036 349 V CB -0.597 31.323 31.823 0.163 0.000 0.654 349 V HN 0.367 nan 8.190 nan 0.000 0.451 350 R N -0.416 120.159 120.500 0.125 0.000 2.081 350 R HA -0.193 4.147 4.340 -0.000 0.000 0.235 350 R C 2.429 178.783 176.300 0.089 0.000 1.131 350 R CA 1.687 57.864 56.100 0.128 0.000 0.960 350 R CB -0.322 30.041 30.300 0.105 0.000 0.856 350 R HN 0.606 nan 8.270 nan 0.000 0.436 351 Q N 0.174 119.997 119.800 0.038 0.000 2.046 351 Q HA -0.191 4.149 4.340 -0.000 0.000 0.200 351 Q C 2.084 178.055 176.000 -0.048 0.000 0.975 351 Q CA 1.370 57.175 55.803 0.004 0.000 0.836 351 Q CB -0.032 28.699 28.738 -0.011 0.000 0.896 351 Q HN 0.389 nan 8.270 nan 0.000 0.428 352 E N 0.141 120.265 120.200 -0.127 0.000 2.085 352 E HA -0.195 4.155 4.350 -0.000 0.000 0.194 352 E C 0.666 177.019 176.600 -0.411 0.000 0.994 352 E CA 1.012 57.223 56.400 -0.315 0.000 0.801 352 E CB 0.053 29.458 29.700 -0.491 0.000 0.743 352 E HN 0.454 nan 8.360 nan 0.000 0.453 353 Y N -0.534 119.779 120.300 0.022 0.000 2.495 353 Y HA 0.369 4.919 4.550 -0.000 0.000 0.293 353 Y C 0.704 176.621 175.900 0.028 0.000 1.186 353 Y CA 0.005 58.121 58.100 0.025 0.000 1.266 353 Y CB 0.474 38.951 38.460 0.029 0.000 1.101 353 Y HN 0.123 nan 8.280 nan 0.000 0.517 354 A N 0.542 123.421 122.820 0.099 0.000 2.704 354 A HA -0.230 4.090 4.320 -0.000 0.000 0.299 354 A C 0.116 177.759 177.584 0.099 0.000 1.507 354 A CA 0.208 52.293 52.037 0.080 0.000 0.776 354 A CB -2.326 16.713 19.000 0.065 0.000 1.027 354 A HN 0.320 nan 8.150 nan 0.000 0.475 355 I N 0.535 121.175 120.570 0.117 0.000 2.598 355 I HA 0.150 4.320 4.170 -0.000 0.000 0.284 355 I C -1.336 174.834 176.117 0.088 0.000 1.140 355 I CA -1.576 59.790 61.300 0.109 0.000 1.420 355 I CB -0.329 37.746 38.000 0.125 0.000 1.387 355 I HN 0.189 nan 8.210 nan 0.000 0.553 356 P HA 0.093 nan 4.420 nan 0.000 0.269 356 P C -0.342 177.003 177.300 0.075 0.000 1.215 356 P CA -0.416 62.724 63.100 0.066 0.000 0.780 356 P CB 0.464 32.197 31.700 0.055 0.000 0.898 357 V N 1.895 121.851 119.914 0.069 0.000 2.694 357 V HA 0.281 4.401 4.120 -0.000 0.000 0.306 357 V C 1.261 177.398 176.094 0.071 0.000 1.054 357 V CA 0.909 63.256 62.300 0.079 0.000 1.161 357 V CB 0.104 31.967 31.823 0.067 0.000 0.916 357 V HN 0.835 nan 8.190 nan 0.000 0.490 358 G N 4.490 113.340 108.800 0.082 0.000 2.795 358 G HA2 0.559 4.519 3.960 -0.000 0.000 0.267 358 G HA3 0.559 4.519 3.960 -0.000 0.000 0.267 358 G C -1.504 173.411 174.900 0.025 0.000 1.362 358 G CA -0.541 44.590 45.100 0.051 0.000 1.048 358 G HN 0.575 nan 8.290 nan 0.000 0.547 359 P HA 0.078 nan 4.420 nan 0.000 0.240 359 P C 1.232 178.493 177.300 -0.064 0.000 1.190 359 P CA 0.353 63.437 63.100 -0.027 0.000 0.781 359 P CB 0.569 32.250 31.700 -0.032 0.000 0.931 360 V N -0.955 118.879 119.914 -0.133 0.000 2.599 360 V HA 0.115 4.235 4.120 -0.000 0.000 0.237 360 V C 1.288 177.268 176.094 -0.190 0.000 1.081 360 V CA 0.614 62.757 62.300 -0.261 0.000 1.107 360 V CB -0.792 30.704 31.823 -0.545 0.000 0.808 360 V HN -0.118 nan 8.190 nan 0.000 0.486 361 F N 2.391 122.365 119.950 0.040 0.000 2.389 361 F HA 0.380 4.907 4.527 -0.000 0.000 0.337 361 F C -1.672 174.150 175.800 0.035 0.000 1.112 361 F CA -2.340 55.685 58.000 0.042 0.000 1.192 361 F CB 0.291 39.328 39.000 0.063 0.000 1.185 361 F HN 0.080 nan 8.300 nan 0.000 0.552 362 P HA 0.114 nan 4.420 nan 0.000 0.272 362 P C -2.695 174.681 177.300 0.127 0.000 1.230 362 P CA -1.391 61.790 63.100 0.134 0.000 0.788 362 P CB -0.085 31.668 31.700 0.088 0.000 0.949 363 P HA 0.013 nan 4.420 nan 0.000 0.262 363 P C 1.042 178.386 177.300 0.073 0.000 1.182 363 P CA 1.488 64.636 63.100 0.079 0.000 0.761 363 P CB -0.299 31.436 31.700 0.058 0.000 0.795 364 G N 3.827 112.670 108.800 0.072 0.000 2.166 364 G HA2 -0.323 3.637 3.960 -0.000 0.000 0.260 364 G HA3 -0.323 3.637 3.960 -0.000 0.000 0.260 364 G C 0.616 175.551 174.900 0.058 0.000 0.986 364 G CA 0.130 45.265 45.100 0.059 0.000 0.683 364 G HN 0.524 nan 8.290 nan 0.000 0.527 365 M N -0.794 118.844 119.600 0.063 0.000 2.576 365 M HA -0.159 4.321 4.480 -0.000 0.000 0.200 365 M C 0.518 176.867 176.300 0.082 0.000 0.487 365 M CA 0.885 56.200 55.300 0.025 0.000 0.553 365 M CB -2.553 30.033 32.600 -0.024 0.000 2.042 365 M HN 0.772 nan 8.290 nan 0.000 0.758 366 N N 1.056 119.806 118.700 0.083 0.000 2.374 366 N HA -0.120 4.620 4.740 -0.000 0.000 0.269 366 N C 1.101 176.682 175.510 0.118 0.000 1.310 366 N CA 0.492 53.601 53.050 0.098 0.000 0.877 366 N CB 0.227 38.752 38.487 0.063 0.000 1.096 366 N HN 0.622 nan 8.380 nan 0.000 0.484 367 W N 4.205 125.499 121.300 -0.009 0.000 2.355 367 W HA -0.201 4.459 4.660 -0.000 0.000 0.309 367 W C 1.400 177.916 176.519 -0.005 0.000 1.206 367 W CA 1.271 58.603 57.345 -0.021 0.000 1.284 367 W CB -0.276 29.179 29.460 -0.009 0.000 1.145 367 W HN 0.518 nan 8.180 nan 0.000 0.502 368 T N 1.196 115.747 114.554 -0.005 0.000 2.665 368 T HA -0.239 4.111 4.350 -0.000 0.000 0.268 368 T C 1.075 175.682 174.700 -0.155 0.000 1.035 368 T CA 2.167 64.224 62.100 -0.072 0.000 1.151 368 T CB -0.583 68.344 68.868 0.099 0.000 0.862 368 T HN 0.072 nan 8.240 nan 0.000 0.438 369 D N 0.729 121.075 120.400 -0.089 0.000 2.117 369 D HA -0.014 4.626 4.640 -0.000 0.000 0.197 369 D C 2.098 178.307 176.300 -0.151 0.000 0.987 369 D CA 0.546 54.502 54.000 -0.073 0.000 0.829 369 D CB -0.497 40.297 40.800 -0.011 0.000 0.961 369 D HN 0.270 nan 8.370 nan 0.000 0.460 370 L N 0.100 121.168 121.223 -0.258 0.000 1.994 370 L HA -0.165 4.175 4.340 -0.000 0.000 0.208 370 L C 2.266 178.793 176.870 -0.572 0.000 1.071 370 L CA 0.866 55.493 54.840 -0.355 0.000 0.745 370 L CB -0.108 41.696 42.059 -0.425 0.000 0.892 370 L HN -0.024 nan 8.230 nan 0.000 0.431 371 I N -0.828 119.172 120.570 -0.950 0.000 2.493 371 I HA -0.236 3.934 4.170 -0.000 0.000 0.254 371 I C 2.208 178.140 176.117 -0.309 0.000 1.160 371 I CA 1.538 62.344 61.300 -0.824 0.000 1.445 371 I CB -0.235 37.166 38.000 -0.998 0.000 1.086 371 I HN 0.190 nan 8.210 nan 0.000 0.433 372 T N 1.264 115.686 114.554 -0.220 0.000 2.777 372 T HA -0.039 4.311 4.350 -0.000 0.000 0.266 372 T C 0.904 175.586 174.700 -0.031 0.000 1.040 372 T CA 1.192 63.246 62.100 -0.077 0.000 1.141 372 T CB -0.192 68.651 68.868 -0.042 0.000 0.868 372 T HN 0.272 nan 8.240 nan 0.000 0.444 373 N N 0.834 119.515 118.700 -0.031 0.000 2.886 373 N HA 0.143 4.883 4.740 -0.000 0.000 0.285 373 N C -1.346 174.210 175.510 0.077 0.000 1.706 373 N CA -0.153 52.907 53.050 0.018 0.000 0.904 373 N CB 0.325 38.818 38.487 0.010 0.000 1.224 373 N HN 0.486 nan 8.380 nan 0.000 0.488 374 Y N 2.219 122.462 120.300 -0.095 0.000 2.623 374 Y HA -0.012 4.538 4.550 -0.000 0.000 0.341 374 Y C 0.914 176.776 175.900 -0.062 0.000 1.292 374 Y CA -0.641 57.402 58.100 -0.095 0.000 1.840 374 Y CB -0.010 38.377 38.460 -0.122 0.000 1.865 374 Y HN 0.222 nan 8.280 nan 0.000 0.440 375 S N 2.685 118.418 115.700 0.055 0.000 2.589 375 S HA 0.141 4.611 4.470 -0.000 0.000 0.265 375 S C -1.825 172.690 174.600 -0.141 0.000 1.342 375 S CA -1.199 56.970 58.200 -0.051 0.000 1.005 375 S CB 1.241 64.426 63.200 -0.025 0.000 0.909 375 S HN 0.391 nan 8.310 nan 0.000 0.555 376 P HA -0.080 nan 4.420 nan 0.000 0.215 376 P C 1.844 179.070 177.300 -0.124 0.000 1.153 376 P CA 1.393 64.398 63.100 -0.158 0.000 0.853 376 P CB -0.121 31.511 31.700 -0.115 0.000 0.788 377 S N -0.802 114.843 115.700 -0.092 0.000 2.356 377 S HA -0.177 4.293 4.470 -0.000 0.000 0.223 377 S C 1.994 176.539 174.600 -0.091 0.000 1.032 377 S CA 1.108 59.254 58.200 -0.089 0.000 1.005 377 S CB -0.542 62.602 63.200 -0.093 0.000 0.867 377 S HN -0.007 nan 8.310 nan 0.000 0.449 378 R N 0.759 121.233 120.500 -0.044 0.000 2.096 378 R HA -0.085 4.255 4.340 -0.000 0.000 0.235 378 R C 2.450 178.884 176.300 0.224 0.000 1.127 378 R CA 1.534 57.684 56.100 0.082 0.000 0.968 378 R CB -0.650 29.800 30.300 0.251 0.000 0.861 378 R HN 0.667 nan 8.270 nan 0.000 0.440 379 E N 1.010 121.231 120.200 0.035 0.000 2.072 379 E HA -0.179 4.171 4.350 -0.000 0.000 0.191 379 E C 1.118 177.719 176.600 0.001 0.000 0.985 379 E CA 1.331 57.701 56.400 -0.050 0.000 0.801 379 E CB 0.120 29.523 29.700 -0.496 0.000 0.750 379 E HN 0.179 nan 8.360 nan 0.000 0.452 380 D N 0.451 120.832 120.400 -0.032 0.000 2.117 380 D HA -0.137 4.503 4.640 -0.000 0.000 0.197 380 D C 1.707 178.054 176.300 0.080 0.000 0.987 380 D CA 0.721 54.718 54.000 -0.005 0.000 0.829 380 D CB -0.400 40.380 40.800 -0.035 0.000 0.961 380 D HN 0.215 nan 8.370 nan 0.000 0.460 381 N N 0.614 119.359 118.700 0.074 0.000 2.120 381 N HA -0.093 4.647 4.740 -0.000 0.000 0.188 381 N C 2.026 177.756 175.510 0.366 0.000 1.024 381 N CA 0.303 53.440 53.050 0.145 0.000 0.852 381 N CB -0.181 38.219 38.487 -0.146 0.000 1.003 381 N HN 0.200 nan 8.380 nan 0.000 0.424 382 L N 1.490 122.947 121.223 0.389 0.000 2.046 382 L HA -0.208 4.132 4.340 -0.000 0.000 0.208 382 L C 2.594 179.417 176.870 -0.078 0.000 1.077 382 L CA 1.434 56.330 54.840 0.093 0.000 0.747 382 L CB -0.383 41.641 42.059 -0.059 0.000 0.896 382 L HN 0.295 nan 8.230 nan 0.000 0.432 383 Q N -0.183 119.653 119.800 0.059 0.000 2.079 383 Q HA -0.269 4.071 4.340 -0.000 0.000 0.200 383 Q C 2.312 178.540 176.000 0.380 0.000 0.974 383 Q CA 1.556 57.466 55.803 0.178 0.000 0.840 383 Q CB -0.024 28.799 28.738 0.142 0.000 0.898 383 Q HN 0.339 nan 8.270 nan 0.000 0.430 384 R N -0.413 120.317 120.500 0.382 0.000 2.073 384 R HA -0.124 4.216 4.340 -0.000 0.000 0.234 384 R C 2.139 178.644 176.300 0.341 0.000 1.134 384 R CA 1.505 57.880 56.100 0.459 0.000 0.952 384 R CB -0.306 30.216 30.300 0.370 0.000 0.850 384 R HN 0.229 nan 8.270 nan 0.000 0.433 385 V N 0.422 120.532 119.914 0.326 0.000 2.427 385 V HA -0.183 3.937 4.120 -0.000 0.000 0.248 385 V C 1.960 178.301 176.094 0.412 0.000 1.051 385 V CA 1.672 64.164 62.300 0.319 0.000 1.048 385 V CB -0.366 31.660 31.823 0.337 0.000 0.666 385 V HN 0.345 nan 8.190 nan 0.000 0.456 386 F N -0.176 119.885 119.950 0.186 0.000 2.163 386 F HA -0.172 4.355 4.527 -0.000 0.000 0.297 386 F C 2.536 178.433 175.800 0.161 0.000 1.094 386 F CA 1.385 59.475 58.000 0.150 0.000 1.290 386 F CB -0.306 38.833 39.000 0.233 0.000 1.017 386 F HN 0.146 nan 8.300 nan 0.000 0.483 387 T N -0.201 114.654 114.554 0.502 0.000 2.746 387 T HA -0.157 4.193 4.350 -0.000 0.000 0.267 387 T C 2.026 176.841 174.700 0.191 0.000 1.039 387 T CA 1.146 63.496 62.100 0.416 0.000 1.142 387 T CB -0.504 68.650 68.868 0.477 0.000 0.866 387 T HN 0.018 nan 8.240 nan 0.000 0.444 388 V N 1.646 121.653 119.914 0.156 0.000 2.358 388 V HA -0.139 3.982 4.120 -0.000 0.000 0.246 388 V C 2.886 179.003 176.094 0.038 0.000 1.047 388 V CA 1.573 63.917 62.300 0.073 0.000 1.035 388 V CB -1.179 30.683 31.823 0.065 0.000 0.658 388 V HN 0.526 nan 8.190 nan 0.000 0.452 389 A N -0.309 122.534 122.820 0.037 0.000 1.933 389 A HA -0.207 4.113 4.320 -0.000 0.000 0.218 389 A C 2.463 179.985 177.584 -0.104 0.000 1.175 389 A CA 2.277 54.289 52.037 -0.042 0.000 0.628 389 A CB -0.634 18.314 19.000 -0.087 0.000 0.814 389 A HN 0.519 nan 8.150 nan 0.000 0.444 390 S N -0.380 115.233 115.700 -0.145 0.000 2.402 390 S HA -0.024 4.446 4.470 -0.000 0.000 0.229 390 S C 1.733 176.305 174.600 -0.046 0.000 1.021 390 S CA 1.199 59.277 58.200 -0.204 0.000 0.974 390 S CB -0.396 62.564 63.200 -0.400 0.000 0.800 390 S HN 0.551 nan 8.310 nan 0.000 0.484 391 I N 1.156 121.741 120.570 0.025 0.000 2.286 391 I HA -0.132 4.038 4.170 -0.000 0.000 0.245 391 I C 2.692 178.814 176.117 0.009 0.000 1.104 391 I CA 0.991 62.334 61.300 0.073 0.000 1.397 391 I CB -0.233 37.824 38.000 0.094 0.000 1.072 391 I HN 0.197 nan 8.210 nan 0.000 0.417 392 R N 0.873 121.364 120.500 -0.016 0.000 2.081 392 R HA -0.139 4.201 4.340 -0.000 0.000 0.235 392 R C 2.154 178.433 176.300 -0.036 0.000 1.131 392 R CA 1.775 57.856 56.100 -0.031 0.000 0.960 392 R CB -0.121 30.159 30.300 -0.034 0.000 0.856 392 R HN 0.172 nan 8.270 nan 0.000 0.436 393 S N 0.474 116.144 115.700 -0.051 0.000 2.595 393 S HA -0.061 4.409 4.470 -0.000 0.000 0.235 393 S C 1.505 176.081 174.600 -0.041 0.000 0.974 393 S CA 0.852 59.018 58.200 -0.057 0.000 0.942 393 S CB -0.038 63.107 63.200 -0.092 0.000 0.766 393 S HN 0.364 nan 8.310 nan 0.000 0.536 394 M N -0.070 119.513 119.600 -0.028 0.000 2.447 394 M HA 0.151 4.631 4.480 -0.000 0.000 0.264 394 M C 1.347 177.634 176.300 -0.022 0.000 1.095 394 M CA 1.092 56.380 55.300 -0.020 0.000 1.125 394 M CB 0.020 32.611 32.600 -0.016 0.000 1.389 394 M HN 0.287 nan 8.290 nan 0.000 0.459 395 L N -2.113 119.097 121.223 -0.021 0.000 2.694 395 L HA 0.250 4.590 4.340 -0.000 0.000 0.228 395 L C 0.020 176.883 176.870 -0.012 0.000 1.048 395 L CA -0.149 54.682 54.840 -0.015 0.000 0.887 395 L CB 0.980 43.033 42.059 -0.010 0.000 1.265 395 L HN -0.180 nan 8.230 nan 0.000 0.492 396 V N 1.359 121.264 119.914 -0.016 0.000 2.407 396 V HA 0.380 4.500 4.120 -0.000 0.000 0.291 396 V C -0.361 175.721 176.094 -0.021 0.000 1.018 396 V CA -0.654 61.639 62.300 -0.013 0.000 0.842 396 V CB 1.755 33.573 31.823 -0.009 0.000 0.996 396 V HN 0.124 nan 8.190 nan 0.000 0.426 397 K N 0.000 120.388 120.400 -0.020 0.000 2.780 397 K HA 0.000 4.320 4.320 -0.000 0.000 0.191 397 K CA 0.000 56.270 56.287 -0.028 0.000 0.838 397 K CB 0.000 32.481 32.500 -0.031 0.000 1.064 397 K HN 0.000 nan 8.250 nan 0.000 0.543