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 1a9o_1_A DATA FIRST_RESID 1 DATA SEQUENCE MQNGYTYEDY QDTAKWLLSH TEQRPQVAVI CGSGLGGLVN KLTQAQTFDY DATA SEQUENCE SEIPNFPEST VPGHAGRLVF GILNGRACVM MQGRFHMYEG YPFWKVTFPV DATA SEQUENCE RVFRLLGVET LVVTNAAGGL NPNFEVGDIM LIRDHINLPG FSGENPLRGP DATA SEQUENCE NEERFGVRFP AMSDAYDRDM RQKAHSTWKQ MGEQRELQEG TYVMLGGPNF DATA SEQUENCE ETVAECRLLR NLGADAVGMS TVPEVIVARH CGLRVFGFSL ITNKVIMDTE DATA SEQUENCE SQGKANHEEV LEAGKQAAQK LEQFVSLLMA SIPVSGHTG 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 0.000 176.239 176.300 -0.102 0.000 1.140 1 M CA 0.000 55.310 55.300 0.016 0.000 0.988 1 M CB 0.000 32.638 32.600 0.063 0.000 1.302 2 Q N 1.968 121.681 119.800 -0.145 0.000 2.388 2 Q HA 0.268 4.608 4.340 -0.000 0.000 0.246 2 Q C -0.366 175.352 176.000 -0.470 0.000 1.246 2 Q CA 0.552 56.225 55.803 -0.217 0.000 0.895 2 Q CB -1.074 27.565 28.738 -0.164 0.000 1.510 2 Q HN 0.640 nan 8.270 nan 0.000 0.503 3 N N 1.830 120.206 118.700 -0.541 0.000 2.365 3 N HA 0.100 4.840 4.740 -0.000 0.000 0.265 3 N C 1.419 176.376 175.510 -0.923 0.000 1.288 3 N CA 0.900 53.357 53.050 -0.988 0.000 0.869 3 N CB 0.850 39.138 38.487 -0.331 0.000 1.071 3 N HN 0.507 nan 8.380 nan 0.000 0.480 4 G N 2.855 110.706 108.800 -1.582 0.000 2.479 4 G HA2 -0.206 3.754 3.960 -0.000 0.000 0.220 4 G HA3 -0.206 3.754 3.960 -0.000 0.000 0.220 4 G C -0.053 174.486 174.900 -0.601 0.000 1.115 4 G CA 0.643 45.175 45.100 -0.948 0.000 0.757 4 G HN 0.625 nan 8.290 nan 0.000 0.560 5 Y N 1.669 121.751 120.300 -0.363 0.000 2.336 5 Y HA 0.406 4.956 4.550 -0.000 0.000 0.335 5 Y C 1.169 177.040 175.900 -0.048 0.000 1.046 5 Y CA -0.988 56.987 58.100 -0.208 0.000 1.198 5 Y CB 0.688 38.989 38.460 -0.266 0.000 1.182 5 Y HN -0.001 nan 8.280 nan 0.000 0.502 6 T N -0.884 113.760 114.554 0.149 0.000 2.902 6 T HA 0.118 4.468 4.350 -0.000 0.000 0.280 6 T C 0.913 175.845 174.700 0.387 0.000 0.992 6 T CA -0.567 61.665 62.100 0.219 0.000 1.015 6 T CB 0.662 69.609 68.868 0.132 0.000 1.044 6 T HN 0.660 nan 8.240 nan 0.000 0.520 7 Y N 1.295 121.785 120.300 0.316 0.000 2.114 7 Y HA -0.192 4.358 4.550 0.000 0.000 0.282 7 Y C 2.345 178.432 175.900 0.312 0.000 1.165 7 Y CA 2.273 60.587 58.100 0.357 0.000 1.148 7 Y CB -0.433 38.059 38.460 0.054 0.000 0.972 7 Y HN 0.799 nan 8.280 nan 0.000 0.504 8 E N 0.390 120.779 120.200 0.315 0.000 2.130 8 E HA -0.216 4.134 4.350 -0.000 0.000 0.196 8 E C 1.765 178.436 176.600 0.118 0.000 0.998 8 E CA 1.661 58.177 56.400 0.194 0.000 0.806 8 E CB -0.392 29.405 29.700 0.163 0.000 0.738 8 E HN 0.567 nan 8.360 nan 0.000 0.459 9 D N -0.643 119.818 120.400 0.102 0.000 2.144 9 D HA -0.163 4.477 4.640 -0.000 0.000 0.199 9 D C 1.760 178.086 176.300 0.045 0.000 0.984 9 D CA 1.026 55.057 54.000 0.052 0.000 0.834 9 D CB -0.377 40.447 40.800 0.040 0.000 0.955 9 D HN 0.326 nan 8.370 nan 0.000 0.465 10 Y N 0.725 121.073 120.300 0.080 0.000 2.200 10 Y HA -0.157 4.393 4.550 -0.000 0.000 0.290 10 Y C 2.640 178.480 175.900 -0.100 0.000 1.137 10 Y CA 0.919 58.962 58.100 -0.096 0.000 1.163 10 Y CB -0.480 37.880 38.460 -0.166 0.000 0.988 10 Y HN -0.081 nan 8.280 nan 0.000 0.518 11 Q N 0.675 120.492 119.800 0.029 0.000 2.124 11 Q HA -0.168 4.172 4.340 -0.000 0.000 0.202 11 Q C 1.478 177.534 176.000 0.093 0.000 0.977 11 Q CA 1.953 57.769 55.803 0.021 0.000 0.850 11 Q CB -0.371 28.372 28.738 0.008 0.000 0.901 11 Q HN 0.342 nan 8.270 nan 0.000 0.429 12 D N -1.165 119.299 120.400 0.107 0.000 2.117 12 D HA -0.109 4.531 4.640 -0.000 0.000 0.197 12 D C 1.606 178.011 176.300 0.175 0.000 0.987 12 D CA 1.733 55.813 54.000 0.133 0.000 0.829 12 D CB -0.262 40.604 40.800 0.109 0.000 0.961 12 D HN 0.293 nan 8.370 nan 0.000 0.460 13 T N 0.393 115.047 114.554 0.167 0.000 2.777 13 T HA -0.070 4.280 4.350 -0.000 0.000 0.266 13 T C 1.975 176.818 174.700 0.238 0.000 1.040 13 T CA 1.371 63.594 62.100 0.204 0.000 1.141 13 T CB -0.220 68.808 68.868 0.267 0.000 0.868 13 T HN 0.172 nan 8.240 nan 0.000 0.444 14 A N 1.687 124.610 122.820 0.172 0.000 1.933 14 A HA -0.086 4.234 4.320 -0.000 0.000 0.218 14 A C 2.247 179.939 177.584 0.180 0.000 1.175 14 A CA 1.376 53.516 52.037 0.171 0.000 0.628 14 A CB -0.379 18.691 19.000 0.117 0.000 0.814 14 A HN 0.412 nan 8.150 nan 0.000 0.444 15 K N -2.005 118.499 120.400 0.173 0.000 2.148 15 K HA -0.182 4.138 4.320 -0.000 0.000 0.204 15 K C 1.769 178.485 176.600 0.194 0.000 1.050 15 K CA 1.378 57.757 56.287 0.153 0.000 0.942 15 K CB -0.216 32.366 32.500 0.137 0.000 0.724 15 K HN 0.736 nan 8.250 nan 0.000 0.446 16 W N 1.686 123.027 121.300 0.068 0.000 2.379 16 W HA -0.127 4.533 4.660 -0.000 0.000 0.307 16 W C 1.501 178.072 176.519 0.087 0.000 1.200 16 W CA 1.138 58.536 57.345 0.087 0.000 1.297 16 W CB -0.156 29.309 29.460 0.009 0.000 1.140 16 W HN -0.096 nan 8.180 nan 0.000 0.507 17 L N 0.137 121.521 121.223 0.269 0.000 2.046 17 L HA -0.261 4.079 4.340 -0.000 0.000 0.208 17 L C 2.486 179.303 176.870 -0.089 0.000 1.077 17 L CA 1.227 56.074 54.840 0.012 0.000 0.747 17 L CB -1.107 41.074 42.059 0.203 0.000 0.896 17 L HN 0.038 nan 8.230 nan 0.000 0.432 18 L N -0.863 120.362 121.223 0.003 0.000 2.187 18 L HA -0.183 4.157 4.340 -0.000 0.000 0.213 18 L C 2.179 178.990 176.870 -0.098 0.000 1.100 18 L CA 0.960 55.782 54.840 -0.031 0.000 0.765 18 L CB -0.415 41.655 42.059 0.019 0.000 0.904 18 L HN 0.217 nan 8.230 nan 0.000 0.437 19 S N -2.163 113.455 115.700 -0.136 0.000 2.593 19 S HA -0.002 4.468 4.470 -0.000 0.000 0.217 19 S C 0.932 175.220 174.600 -0.520 0.000 0.966 19 S CA 0.114 58.152 58.200 -0.270 0.000 0.914 19 S CB -0.089 62.946 63.200 -0.275 0.000 0.776 19 S HN 0.492 nan 8.310 nan 0.000 0.523 20 H N -0.217 118.625 119.070 -0.382 0.000 3.170 20 H HA 0.322 4.878 4.556 -0.000 0.000 0.264 20 H C 0.394 175.654 175.328 -0.113 0.000 1.113 20 H CA 0.205 56.060 56.048 -0.321 0.000 1.194 20 H CB 1.022 30.419 29.762 -0.608 0.000 1.553 20 H HN 0.176 nan 8.280 nan 0.000 0.538 21 T N -0.002 114.498 114.554 -0.090 0.000 2.933 21 T HA 0.097 4.447 4.350 -0.000 0.000 0.305 21 T C 0.458 175.068 174.700 -0.150 0.000 1.092 21 T CA -0.694 61.322 62.100 -0.139 0.000 1.008 21 T CB 1.467 70.137 68.868 -0.330 0.000 1.102 21 T HN 0.335 nan 8.240 nan 0.000 0.469 22 E N 2.933 123.066 120.200 -0.111 0.000 2.435 22 E HA 0.026 4.376 4.350 -0.000 0.000 0.195 22 E C 0.045 176.611 176.600 -0.056 0.000 1.029 22 E CA 0.168 56.524 56.400 -0.075 0.000 0.865 22 E CB 0.162 29.830 29.700 -0.054 0.000 0.833 22 E HN 0.538 nan 8.360 nan 0.000 0.510 23 Q N 1.345 121.099 119.800 -0.077 0.000 2.361 23 Q HA 0.130 4.470 4.340 -0.000 0.000 0.276 23 Q C -0.112 175.910 176.000 0.036 0.000 1.022 23 Q CA 0.421 56.221 55.803 -0.004 0.000 0.898 23 Q CB 0.768 29.532 28.738 0.044 0.000 1.246 23 Q HN 0.089 nan 8.270 nan 0.000 0.410 24 R N 3.093 123.640 120.500 0.079 0.000 2.513 24 R HA 0.317 4.657 4.340 -0.000 0.000 0.283 24 R C -2.301 174.055 176.300 0.094 0.000 1.535 24 R CA -1.664 54.489 56.100 0.089 0.000 1.315 24 R CB 0.865 31.195 30.300 0.050 0.000 1.163 24 R HN 0.480 nan 8.270 nan 0.000 0.573 25 P HA 0.025 nan 4.420 nan 0.000 0.268 25 P C 0.056 177.357 177.300 0.002 0.000 1.205 25 P CA -0.026 63.104 63.100 0.051 0.000 0.771 25 P CB 1.252 32.961 31.700 0.015 0.000 0.858 26 Q N 1.938 121.719 119.800 -0.030 0.000 2.378 26 Q HA 0.166 4.506 4.340 -0.000 0.000 0.229 26 Q C -0.381 175.578 176.000 -0.068 0.000 0.882 26 Q CA 0.715 56.497 55.803 -0.035 0.000 0.936 26 Q CB 0.274 28.994 28.738 -0.030 0.000 1.092 26 Q HN 0.221 nan 8.270 nan 0.000 0.535 27 V N 1.162 121.012 119.914 -0.107 0.000 2.735 27 V HA 0.895 5.015 4.120 -0.000 0.000 0.310 27 V C -0.821 175.124 176.094 -0.248 0.000 1.061 27 V CA -0.642 61.572 62.300 -0.144 0.000 0.913 27 V CB 1.640 33.394 31.823 -0.115 0.000 1.005 27 V HN 0.266 nan 8.190 nan 0.000 0.428 28 A N 3.490 126.126 122.820 -0.307 0.000 2.343 28 A HA 0.896 5.216 4.320 -0.000 0.000 0.316 28 A C -1.088 176.307 177.584 -0.315 0.000 1.104 28 A CA -0.560 51.180 52.037 -0.494 0.000 0.768 28 A CB 1.710 20.232 19.000 -0.796 0.000 1.213 28 A HN 0.707 nan 8.150 nan 0.000 0.456 29 V N 3.605 123.355 119.914 -0.274 0.000 2.487 29 V HA 0.388 4.508 4.120 -0.000 0.000 0.298 29 V C -0.410 175.629 176.094 -0.093 0.000 1.028 29 V CA -0.211 61.987 62.300 -0.170 0.000 0.860 29 V CB 1.508 33.246 31.823 -0.142 0.000 0.991 29 V HN 0.758 nan 8.190 nan 0.000 0.427 30 I N 3.923 124.457 120.570 -0.059 0.000 2.307 30 I HA 0.307 4.477 4.170 -0.000 0.000 0.289 30 I C -0.148 175.947 176.117 -0.037 0.000 1.021 30 I CA -0.138 61.149 61.300 -0.021 0.000 1.224 30 I CB 1.009 38.996 38.000 -0.021 0.000 1.376 30 I HN 0.542 nan 8.210 nan 0.000 0.470 31 C N 5.191 124.467 119.300 -0.039 0.000 2.415 31 C HA 0.570 5.030 4.460 -0.000 0.000 0.369 31 C C 1.000 175.979 174.990 -0.018 0.000 1.279 31 C CA -0.462 58.527 59.018 -0.049 0.000 1.886 31 C CB -0.147 27.529 27.740 -0.106 0.000 2.468 31 C HN 0.911 nan 8.230 nan 0.000 0.553 32 G N 3.038 111.853 108.800 0.025 0.000 2.487 32 G HA2 0.509 4.469 3.960 -0.000 0.000 0.314 32 G HA3 0.509 4.469 3.960 -0.000 0.000 0.314 32 G C 0.229 175.210 174.900 0.135 0.000 1.267 32 G CA 0.206 45.366 45.100 0.100 0.000 0.937 32 G HN 0.927 nan 8.290 nan 0.000 0.481 33 S N 1.676 117.518 115.700 0.238 0.000 4.158 33 S HA -0.323 4.147 4.470 -0.000 0.000 0.539 33 S C 2.336 177.098 174.600 0.269 0.000 1.860 33 S CA 2.212 60.589 58.200 0.295 0.000 4.243 33 S CB -1.470 61.843 63.200 0.189 0.000 0.295 33 S HN 1.645 nan 8.310 nan 0.000 0.455 34 G N 0.947 109.833 108.800 0.144 0.000 2.446 34 G HA2 -0.089 3.871 3.960 -0.000 0.000 0.217 34 G HA3 -0.089 3.871 3.960 -0.000 0.000 0.217 34 G C 1.103 176.034 174.900 0.052 0.000 1.168 34 G CA 1.314 46.474 45.100 0.100 0.000 0.771 34 G HN 0.601 nan 8.290 nan 0.000 0.551 35 L N 2.315 123.550 121.223 0.021 0.000 2.642 35 L HA 0.183 4.523 4.340 -0.000 0.000 0.236 35 L C 2.519 179.330 176.870 -0.099 0.000 1.169 35 L CA 0.957 55.785 54.840 -0.021 0.000 0.851 35 L CB -0.604 41.450 42.059 -0.008 0.000 0.968 35 L HN 0.139 nan 8.230 nan 0.000 0.453 36 G N -0.999 107.684 108.800 -0.196 0.000 2.501 36 G HA2 -0.204 3.756 3.960 -0.000 0.000 0.220 36 G HA3 -0.204 3.756 3.960 -0.000 0.000 0.220 36 G C 1.373 176.163 174.900 -0.183 0.000 1.114 36 G CA 0.481 45.315 45.100 -0.443 0.000 0.757 36 G HN 0.554 nan 8.290 nan 0.000 0.559 37 G N 0.074 108.834 108.800 -0.066 0.000 3.042 37 G HA2 0.143 4.103 3.960 -0.000 0.000 0.212 37 G HA3 0.143 4.103 3.960 -0.000 0.000 0.212 37 G C 1.444 176.326 174.900 -0.031 0.000 1.166 37 G CA 0.203 45.288 45.100 -0.024 0.000 0.767 37 G HN 0.329 nan 8.290 nan 0.000 0.546 38 L N 1.911 123.106 121.223 -0.046 0.000 2.127 38 L HA -0.103 4.237 4.340 -0.000 0.000 0.211 38 L C 2.951 179.798 176.870 -0.038 0.000 1.089 38 L CA 1.927 56.745 54.840 -0.038 0.000 0.757 38 L CB -0.380 41.651 42.059 -0.046 0.000 0.899 38 L HN 0.180 nan 8.230 nan 0.000 0.434 39 V N -2.885 117.000 119.914 -0.047 0.000 2.660 39 V HA -0.295 3.824 4.120 -0.000 0.000 0.257 39 V C 1.940 178.019 176.094 -0.024 0.000 1.088 39 V CA 2.269 64.546 62.300 -0.039 0.000 1.106 39 V CB -1.596 30.201 31.823 -0.043 0.000 0.686 39 V HN 0.627 nan 8.190 nan 0.000 0.481 40 N N 0.056 118.744 118.700 -0.019 0.000 2.459 40 N HA -0.040 4.700 4.740 -0.000 0.000 0.181 40 N C 1.512 177.016 175.510 -0.010 0.000 1.046 40 N CA 0.498 53.541 53.050 -0.012 0.000 0.904 40 N CB -0.101 38.382 38.487 -0.007 0.000 0.964 40 N HN 0.340 nan 8.380 nan 0.000 0.444 41 K N 0.750 121.143 120.400 -0.012 0.000 2.374 41 K HA 0.202 4.522 4.320 -0.000 0.000 0.196 41 K C -0.075 176.520 176.600 -0.008 0.000 1.023 41 K CA -0.091 56.191 56.287 -0.009 0.000 1.103 41 K CB 0.274 32.769 32.500 -0.008 0.000 0.848 41 K HN 0.192 nan 8.250 nan 0.000 0.528 42 L N 1.483 122.700 121.223 -0.010 0.000 2.367 42 L HA 0.088 4.428 4.340 -0.000 0.000 0.275 42 L C 0.823 177.693 176.870 0.000 0.000 1.129 42 L CA 0.060 54.896 54.840 -0.005 0.000 0.839 42 L CB 0.943 42.998 42.059 -0.006 0.000 1.133 42 L HN -0.118 nan 8.230 nan 0.000 0.453 43 T N 2.144 116.701 114.554 0.004 0.000 2.943 43 T HA 0.217 4.567 4.350 -0.000 0.000 0.284 43 T C 0.180 174.887 174.700 0.011 0.000 1.015 43 T CA -0.223 61.880 62.100 0.005 0.000 1.042 43 T CB 0.927 69.798 68.868 0.005 0.000 1.055 43 T HN 0.707 nan 8.240 nan 0.000 0.500 44 Q N -0.197 119.607 119.800 0.006 0.000 2.457 44 Q HA -0.197 4.143 4.340 -0.000 0.000 0.283 44 Q C -0.038 175.971 176.000 0.015 0.000 1.234 44 Q CA 0.420 56.226 55.803 0.006 0.000 0.877 44 Q CB -1.883 26.861 28.738 0.010 0.000 1.250 44 Q HN 0.834 nan 8.270 nan 0.000 0.481 45 A N 0.986 123.813 122.820 0.012 0.000 2.388 45 A HA 0.410 4.730 4.320 -0.000 0.000 0.257 45 A C 0.081 177.664 177.584 -0.001 0.000 1.095 45 A CA 0.096 52.147 52.037 0.023 0.000 0.791 45 A CB 0.821 19.827 19.000 0.011 0.000 1.029 45 A HN 0.347 nan 8.150 nan 0.000 0.489 46 Q N 1.106 120.919 119.800 0.022 0.000 2.323 46 Q HA 0.504 4.844 4.340 -0.000 0.000 0.271 46 Q C -1.169 174.774 176.000 -0.095 0.000 1.048 46 Q CA -0.407 55.339 55.803 -0.094 0.000 0.792 46 Q CB 1.794 30.435 28.738 -0.162 0.000 1.280 46 Q HN 0.703 nan 8.270 nan 0.000 0.441 47 T N 3.343 117.757 114.554 -0.233 0.000 2.859 47 T HA 0.629 4.979 4.350 -0.000 0.000 0.281 47 T C -1.211 173.266 174.700 -0.372 0.000 1.005 47 T CA -0.187 61.812 62.100 -0.167 0.000 1.025 47 T CB 0.432 69.249 68.868 -0.085 0.000 0.977 47 T HN 0.345 nan 8.240 nan 0.000 0.458 48 F N 1.217 121.253 119.950 0.143 0.000 2.547 48 F HA 0.330 4.857 4.527 0.000 0.000 0.316 48 F C 0.325 176.153 175.800 0.045 0.000 1.121 48 F CA -1.185 56.901 58.000 0.143 0.000 0.911 48 F CB 1.578 40.729 39.000 0.251 0.000 1.179 48 F HN 0.456 nan 8.300 nan 0.000 0.443 49 D N 1.731 122.257 120.400 0.211 0.000 2.302 49 D HA 0.048 4.688 4.640 -0.000 0.000 0.248 49 D C 0.537 176.909 176.300 0.120 0.000 1.094 49 D CA -0.015 54.022 54.000 0.061 0.000 0.897 49 D CB 0.999 41.835 40.800 0.059 0.000 1.200 49 D HN 0.445 nan 8.370 nan 0.000 0.429 50 Y N 1.199 121.510 120.300 0.019 0.000 2.384 50 Y HA -0.151 4.399 4.550 0.000 0.000 0.289 50 Y C 2.574 178.495 175.900 0.035 0.000 1.152 50 Y CA 0.440 58.529 58.100 -0.018 0.000 1.258 50 Y CB -0.691 37.951 38.460 0.303 0.000 0.979 50 Y HN 0.286 nan 8.280 nan 0.000 0.549 51 S N -0.311 115.506 115.700 0.195 0.000 2.453 51 S HA -0.143 4.327 4.470 -0.000 0.000 0.231 51 S C 1.733 176.350 174.600 0.028 0.000 1.005 51 S CA 1.195 59.462 58.200 0.113 0.000 0.949 51 S CB -0.200 63.057 63.200 0.095 0.000 0.774 51 S HN 0.750 nan 8.310 nan 0.000 0.510 52 E N 0.474 120.679 120.200 0.008 0.000 2.472 52 E HA 0.131 4.481 4.350 -0.000 0.000 0.196 52 E C -0.015 176.341 176.600 -0.407 0.000 1.033 52 E CA 0.071 56.432 56.400 -0.065 0.000 0.886 52 E CB -0.018 29.749 29.700 0.112 0.000 0.944 52 E HN 0.409 nan 8.360 nan 0.000 0.492 53 I N 4.217 124.522 120.570 -0.440 0.000 2.297 53 I HA 0.234 4.404 4.170 -0.000 0.000 0.291 53 I C -2.105 173.724 176.117 -0.480 0.000 1.033 53 I CA -2.722 58.107 61.300 -0.784 0.000 1.253 53 I CB 0.741 38.423 38.000 -0.529 0.000 1.396 53 I HN -0.120 nan 8.210 nan 0.000 0.476 54 P HA 0.021 nan 4.420 nan 0.000 0.267 54 P C -0.140 177.081 177.300 -0.131 0.000 1.200 54 P CA 0.292 63.195 63.100 -0.327 0.000 0.772 54 P CB 0.575 32.056 31.700 -0.364 0.000 0.855 55 N N -1.465 117.167 118.700 -0.114 0.000 2.961 55 N HA -0.215 4.525 4.740 -0.000 0.000 0.223 55 N C -0.083 175.174 175.510 -0.421 0.000 0.866 55 N CA 0.967 53.895 53.050 -0.203 0.000 1.030 55 N CB -2.034 36.342 38.487 -0.185 0.000 1.037 55 N HN 0.412 nan 8.380 nan 0.000 0.608 56 F N 2.801 122.581 119.950 -0.284 0.000 2.484 56 F HA 0.234 4.761 4.527 -0.000 0.000 0.360 56 F C -1.615 174.021 175.800 -0.272 0.000 1.101 56 F CA -1.380 56.488 58.000 -0.219 0.000 1.251 56 F CB 0.607 39.577 39.000 -0.050 0.000 1.132 56 F HN -0.158 nan 8.300 nan 0.000 0.570 57 P HA 0.093 nan 4.420 nan 0.000 0.271 57 P C -1.346 175.901 177.300 -0.089 0.000 1.226 57 P CA -0.060 62.733 63.100 -0.511 0.000 0.765 57 P CB 0.573 31.475 31.700 -1.330 0.000 0.835 58 E N 1.762 122.038 120.200 0.126 0.000 2.313 58 E HA 0.641 4.991 4.350 -0.000 0.000 0.272 58 E C 0.524 177.375 176.600 0.419 0.000 1.038 58 E CA 0.083 56.676 56.400 0.322 0.000 0.863 58 E CB 0.466 30.285 29.700 0.199 0.000 1.060 58 E HN 0.471 nan 8.360 nan 0.000 0.402 59 S N 0.153 116.165 115.700 0.521 0.000 2.627 59 S HA 0.768 5.237 4.470 -0.000 0.000 0.283 59 S C 0.279 175.075 174.600 0.326 0.000 1.127 59 S CA -0.242 58.271 58.200 0.523 0.000 0.863 59 S CB 1.328 64.929 63.200 0.668 0.000 1.121 59 S HN 0.528 nan 8.310 nan 0.000 0.479 60 T N 0.656 115.378 114.554 0.280 0.000 3.487 60 T HA 0.719 5.069 4.350 -0.000 0.000 0.287 60 T C 0.383 175.188 174.700 0.174 0.000 1.004 60 T CA 0.341 62.549 62.100 0.180 0.000 0.977 60 T CB -1.169 67.775 68.868 0.126 0.000 1.180 60 T HN 1.880 nan 8.240 nan 0.000 0.490 61 V N 1.491 121.534 119.914 0.214 0.000 2.585 61 V HA 0.683 4.803 4.120 -0.000 0.000 0.296 61 V C -1.126 175.045 176.094 0.130 0.000 1.035 61 V CA -1.030 61.394 62.300 0.206 0.000 1.084 61 V CB -0.046 31.928 31.823 0.253 0.000 0.953 61 V HN 0.370 nan 8.190 nan 0.000 0.483 62 P HA 0.590 nan 4.420 nan 0.000 0.273 62 P C 0.748 178.057 177.300 0.015 0.000 1.428 62 P CA 0.788 63.909 63.100 0.037 0.000 0.995 62 P CB 0.150 31.853 31.700 0.004 0.000 1.286 63 G N 1.286 110.064 108.800 -0.037 0.000 4.460 63 G HA2 0.006 3.966 3.960 -0.000 0.000 0.182 63 G HA3 0.006 3.966 3.960 -0.000 0.000 0.182 63 G C -0.119 174.495 174.900 -0.476 0.000 1.512 63 G CA -0.151 44.828 45.100 -0.202 0.000 0.856 63 G HN 0.646 nan 8.290 nan 0.000 0.289 64 H N 0.612 119.720 119.070 0.063 0.000 2.856 64 H HA 0.658 5.214 4.556 -0.000 0.000 0.355 64 H C -0.009 175.318 175.328 -0.002 0.000 1.079 64 H CA -0.124 55.941 56.048 0.027 0.000 1.240 64 H CB 1.737 31.512 29.762 0.022 0.000 1.701 64 H HN 0.580 nan 8.280 nan 0.000 0.527 65 A N 2.150 125.023 122.820 0.087 0.000 2.522 65 A HA 0.279 4.599 4.320 -0.000 0.000 0.256 65 A C 1.138 178.657 177.584 -0.109 0.000 1.086 65 A CA 0.415 52.453 52.037 0.003 0.000 0.763 65 A CB -0.283 18.714 19.000 -0.006 0.000 1.024 65 A HN 0.798 nan 8.150 nan 0.000 0.502 66 G N 3.153 111.847 108.800 -0.177 0.000 2.305 66 G HA2 0.411 4.371 3.960 -0.000 0.000 0.281 66 G HA3 0.411 4.371 3.960 -0.000 0.000 0.281 66 G C 0.323 174.577 174.900 -1.076 0.000 1.085 66 G CA -0.063 44.663 45.100 -0.624 0.000 1.211 66 G HN 1.099 nan 8.290 nan 0.000 0.421 67 R N 1.537 121.383 120.500 -1.091 0.000 2.643 67 R HA 0.600 4.940 4.340 -0.000 0.000 0.269 67 R C -1.944 174.231 176.300 -0.208 0.000 1.037 67 R CA -1.224 54.521 56.100 -0.592 0.000 0.894 67 R CB 1.359 31.527 30.300 -0.220 0.000 1.238 67 R HN 0.252 nan 8.270 nan 0.000 0.459 68 L N 2.457 123.760 121.223 0.133 0.000 2.282 68 L HA 0.533 4.873 4.340 -0.000 0.000 0.288 68 L C -1.192 175.769 176.870 0.151 0.000 1.033 68 L CA -0.572 54.417 54.840 0.248 0.000 0.807 68 L CB 2.027 44.275 42.059 0.315 0.000 1.209 68 L HN 0.589 nan 8.230 nan 0.000 0.423 69 V N 5.227 125.145 119.914 0.005 0.000 2.487 69 V HA 0.482 4.602 4.120 -0.000 0.000 0.298 69 V C -0.448 175.603 176.094 -0.071 0.000 1.028 69 V CA -0.599 61.719 62.300 0.030 0.000 0.860 69 V CB 1.328 33.150 31.823 -0.000 0.000 0.991 69 V HN 0.475 nan 8.190 nan 0.000 0.427 70 F N 2.208 122.190 119.950 0.052 0.000 2.432 70 F HA 0.940 5.467 4.527 -0.000 0.000 0.329 70 F C 0.909 176.709 175.800 -0.001 0.000 1.076 70 F CA 0.073 58.095 58.000 0.037 0.000 1.018 70 F CB 2.077 41.129 39.000 0.087 0.000 1.201 70 F HN 0.786 nan 8.300 nan 0.000 0.489 71 G N 1.424 110.322 108.800 0.163 0.000 2.315 71 G HA2 0.391 4.351 3.960 -0.000 0.000 0.294 71 G HA3 0.391 4.351 3.960 -0.000 0.000 0.294 71 G C -2.280 172.646 174.900 0.044 0.000 1.300 71 G CA -0.988 44.161 45.100 0.082 0.000 0.843 71 G HN 0.339 nan 8.290 nan 0.000 0.527 72 I N 0.671 121.256 120.570 0.025 0.000 2.339 72 I HA 0.514 4.684 4.170 -0.000 0.000 0.290 72 I C -0.758 175.360 176.117 0.002 0.000 0.994 72 I CA -0.687 60.620 61.300 0.013 0.000 1.191 72 I CB 1.127 39.138 38.000 0.017 0.000 1.343 72 I HN 0.410 nan 8.210 nan 0.000 0.458 73 L N 7.637 128.854 121.223 -0.009 0.000 2.316 73 L HA 0.460 4.800 4.340 -0.000 0.000 0.280 73 L C 0.243 177.108 176.870 -0.007 0.000 1.006 73 L CA 0.085 54.918 54.840 -0.012 0.000 0.836 73 L CB 0.518 42.562 42.059 -0.025 0.000 1.221 73 L HN 0.652 nan 8.230 nan 0.000 0.418 74 N N 4.309 123.011 118.700 0.003 0.000 2.714 74 N HA -0.182 4.558 4.740 -0.000 0.000 0.253 74 N C 0.920 176.444 175.510 0.024 0.000 1.024 74 N CA 1.483 54.541 53.050 0.013 0.000 0.726 74 N CB -0.935 37.558 38.487 0.011 0.000 0.908 74 N HN 1.273 nan 8.380 nan 0.000 0.542 75 G N -0.901 107.915 108.800 0.027 0.000 2.168 75 G HA2 -0.363 3.597 3.960 -0.000 0.000 0.263 75 G HA3 -0.363 3.597 3.960 -0.000 0.000 0.263 75 G C 0.099 175.018 174.900 0.031 0.000 0.977 75 G CA 0.814 45.943 45.100 0.047 0.000 0.659 75 G HN 0.772 nan 8.290 nan 0.000 0.533 76 R N 0.454 120.948 120.500 -0.011 0.000 2.494 76 R HA 0.743 5.083 4.340 -0.000 0.000 0.305 76 R C 0.154 176.436 176.300 -0.030 0.000 0.959 76 R CA 0.100 56.169 56.100 -0.053 0.000 0.864 76 R CB 1.153 31.394 30.300 -0.098 0.000 1.159 76 R HN 0.775 nan 8.270 nan 0.000 0.446 77 A N 3.730 126.537 122.820 -0.022 0.000 2.354 77 A HA 0.505 4.825 4.320 -0.000 0.000 0.281 77 A C -0.185 177.385 177.584 -0.024 0.000 1.174 77 A CA -0.197 51.841 52.037 0.001 0.000 0.828 77 A CB -0.609 18.407 19.000 0.025 0.000 1.099 77 A HN 0.976 nan 8.150 nan 0.000 0.516 78 C N 0.742 120.023 119.300 -0.032 0.000 3.291 78 C HA 0.867 5.327 4.460 -0.000 0.000 0.316 78 C C -0.572 174.322 174.990 -0.160 0.000 1.391 78 C CA -0.746 58.209 59.018 -0.105 0.000 1.394 78 C CB 0.963 28.627 27.740 -0.126 0.000 1.744 78 C HN 1.249 nan 8.230 nan 0.000 0.461 79 V N 3.079 122.792 119.914 -0.335 0.000 2.588 79 V HA 0.808 4.928 4.120 -0.000 0.000 0.304 79 V C -0.510 175.304 176.094 -0.465 0.000 1.042 79 V CA -0.448 61.526 62.300 -0.543 0.000 0.877 79 V CB 1.766 33.060 31.823 -0.880 0.000 0.996 79 V HN 1.120 nan 8.190 nan 0.000 0.425 80 M N 5.736 125.152 119.600 -0.307 0.000 2.464 80 M HA 0.657 5.136 4.480 -0.000 0.000 0.308 80 M C -1.089 175.196 176.300 -0.026 0.000 1.127 80 M CA -0.711 54.490 55.300 -0.165 0.000 0.913 80 M CB 2.418 34.946 32.600 -0.120 0.000 1.689 80 M HN 0.432 nan 8.290 nan 0.000 0.445 81 M N 2.705 122.351 119.600 0.077 0.000 2.077 81 M HA 0.245 4.725 4.480 -0.000 0.000 0.348 81 M C -0.252 176.109 176.300 0.101 0.000 1.252 81 M CA 0.007 55.441 55.300 0.222 0.000 1.096 81 M CB 1.147 33.893 32.600 0.243 0.000 1.568 81 M HN 0.734 nan 8.290 nan 0.000 0.456 82 Q N 3.318 123.153 119.800 0.059 0.000 2.678 82 Q HA 0.422 4.762 4.340 -0.000 0.000 0.222 82 Q C -0.393 175.596 176.000 -0.017 0.000 1.281 82 Q CA -0.159 55.613 55.803 -0.052 0.000 0.994 82 Q CB 0.359 29.041 28.738 -0.092 0.000 1.452 82 Q HN 0.963 nan 8.270 nan 0.000 0.570 83 G N 2.738 111.550 108.800 0.019 0.000 3.014 83 G HA2 -0.119 3.841 3.960 -0.000 0.000 0.683 83 G HA3 -0.119 3.841 3.960 -0.000 0.000 0.683 83 G C -1.041 173.810 174.900 -0.081 0.000 1.271 83 G CA -0.728 44.403 45.100 0.053 0.000 0.843 83 G HN 0.661 nan 8.290 nan 0.000 0.612 84 R N 0.306 120.671 120.500 -0.225 0.000 2.875 84 R HA 0.919 5.258 4.340 -0.000 0.000 0.251 84 R C -0.681 175.117 176.300 -0.836 0.000 1.123 84 R CA -1.063 54.682 56.100 -0.591 0.000 1.064 84 R CB 0.958 31.002 30.300 -0.427 0.000 1.205 84 R HN 0.296 nan 8.270 nan 0.000 0.503 85 F N -0.418 119.233 119.950 -0.498 0.000 2.397 85 F HA 0.428 4.955 4.527 -0.000 0.000 0.331 85 F C 0.046 175.402 175.800 -0.739 0.000 1.090 85 F CA -0.587 57.014 58.000 -0.666 0.000 1.065 85 F CB 1.317 39.752 39.000 -0.941 0.000 1.184 85 F HN 0.452 nan 8.300 nan 0.000 0.499 86 H N 1.366 120.332 119.070 -0.172 0.000 2.690 86 H HA 0.300 4.856 4.556 -0.000 0.000 0.368 86 H C 0.834 176.044 175.328 -0.196 0.000 1.150 86 H CA -0.855 55.000 56.048 -0.323 0.000 1.174 86 H CB 2.045 31.212 29.762 -0.991 0.000 1.684 86 H HN 0.755 nan 8.280 nan 0.000 0.538 87 M N 1.857 121.466 119.600 0.015 0.000 2.117 87 M HA -0.181 4.299 4.480 -0.000 0.000 0.262 87 M C 1.223 177.530 176.300 0.012 0.000 1.065 87 M CA 1.769 57.083 55.300 0.023 0.000 1.114 87 M CB -0.104 32.536 32.600 0.067 0.000 1.361 87 M HN 0.835 nan 8.290 nan 0.000 0.408 88 Y N 0.283 120.661 120.300 0.130 0.000 2.569 88 Y HA -0.028 4.522 4.550 -0.000 0.000 0.293 88 Y C 1.373 177.298 175.900 0.043 0.000 1.144 88 Y CA 1.179 59.307 58.100 0.047 0.000 1.321 88 Y CB -1.582 36.880 38.460 0.003 0.000 0.982 88 Y HN 0.439 nan 8.280 nan 0.000 0.558 89 E N 0.014 120.274 120.200 0.100 0.000 2.371 89 E HA 0.191 4.541 4.350 -0.000 0.000 0.194 89 E C 1.709 178.270 176.600 -0.065 0.000 1.012 89 E CA 0.613 57.097 56.400 0.139 0.000 0.860 89 E CB -0.039 29.827 29.700 0.277 0.000 0.811 89 E HN 0.716 nan 8.360 nan 0.000 0.502 90 G N 0.404 109.148 108.800 -0.093 0.000 2.296 90 G HA2 -0.198 3.762 3.960 -0.000 0.000 0.188 90 G HA3 -0.198 3.762 3.960 -0.000 0.000 0.188 90 G C -0.258 174.470 174.900 -0.288 0.000 1.000 90 G CA -0.583 44.389 45.100 -0.215 0.000 0.672 90 G HN 0.146 nan 8.290 nan 0.000 0.483 91 Y N 2.940 123.119 120.300 -0.202 0.000 2.359 91 Y HA 0.469 5.019 4.550 -0.000 0.000 0.330 91 Y C -1.285 174.383 175.900 -0.385 0.000 1.143 91 Y CA -1.610 56.301 58.100 -0.315 0.000 1.318 91 Y CB 0.648 38.937 38.460 -0.284 0.000 1.234 91 Y HN 0.045 nan 8.280 nan 0.000 0.522 92 P HA 0.089 nan 4.420 nan 0.000 0.278 92 P C 0.198 177.257 177.300 -0.402 0.000 1.266 92 P CA -0.335 62.467 63.100 -0.496 0.000 0.807 92 P CB 0.848 32.197 31.700 -0.584 0.000 1.094 93 F N -0.207 119.658 119.950 -0.142 0.000 2.250 93 F HA -0.114 4.413 4.527 -0.000 0.000 0.301 93 F C 2.313 178.103 175.800 -0.017 0.000 1.077 93 F CA 0.678 58.638 58.000 -0.066 0.000 1.348 93 F CB -1.379 37.627 39.000 0.011 0.000 1.040 93 F HN 0.499 nan 8.300 nan 0.000 0.509 94 W N 0.057 121.466 121.300 0.182 0.000 2.519 94 W HA -0.008 4.652 4.660 0.000 0.000 0.266 94 W C 1.466 178.106 176.519 0.202 0.000 1.253 94 W CA 0.448 57.897 57.345 0.174 0.000 1.274 94 W CB -0.825 28.729 29.460 0.157 0.000 1.114 94 W HN -0.063 nan 8.180 nan 0.000 0.596 95 K N 1.549 121.743 120.400 -0.344 0.000 2.067 95 K HA -0.090 4.230 4.320 -0.000 0.000 0.203 95 K C 2.373 178.793 176.600 -0.300 0.000 1.048 95 K CA 1.807 57.885 56.287 -0.348 0.000 0.954 95 K CB -0.873 31.253 32.500 -0.623 0.000 0.737 95 K HN 0.215 nan 8.250 nan 0.000 0.444 96 V N 0.487 120.267 119.914 -0.224 0.000 2.392 96 V HA -0.174 3.946 4.120 -0.000 0.000 0.249 96 V C 1.951 178.013 176.094 -0.053 0.000 1.059 96 V CA 2.482 64.701 62.300 -0.134 0.000 1.051 96 V CB -1.406 30.410 31.823 -0.013 0.000 0.658 96 V HN 0.364 nan 8.190 nan 0.000 0.455 97 T N -4.082 110.452 114.554 -0.032 0.000 3.107 97 T HA 0.122 4.472 4.350 -0.000 0.000 0.249 97 T C 1.420 176.045 174.700 -0.124 0.000 1.096 97 T CA 0.545 62.597 62.100 -0.081 0.000 1.012 97 T CB -0.505 68.324 68.868 -0.064 0.000 0.977 97 T HN 0.508 nan 8.240 nan 0.000 0.527 98 F N 3.864 123.658 119.950 -0.259 0.000 2.087 98 F HA 0.019 4.546 4.527 -0.000 0.000 0.299 98 F C -1.128 174.385 175.800 -0.477 0.000 1.100 98 F CA 0.895 58.681 58.000 -0.355 0.000 1.226 98 F CB -1.122 37.462 39.000 -0.694 0.000 0.983 98 F HN 0.186 nan 8.300 nan 0.000 0.479 99 P HA -0.146 nan 4.420 nan 0.000 0.218 99 P C 2.024 178.608 177.300 -1.194 0.000 1.149 99 P CA 1.684 64.172 63.100 -1.020 0.000 0.817 99 P CB -0.076 31.138 31.700 -0.810 0.000 0.785 100 V N -0.037 119.423 119.914 -0.757 0.000 2.332 100 V HA -0.245 3.875 4.120 -0.000 0.000 0.248 100 V C 2.382 178.189 176.094 -0.479 0.000 1.055 100 V CA 1.836 63.828 62.300 -0.513 0.000 1.038 100 V CB -1.008 30.637 31.823 -0.297 0.000 0.651 100 V HN 0.094 nan 8.190 nan 0.000 0.450 101 R N -0.541 119.588 120.500 -0.618 0.000 2.148 101 R HA -0.042 4.298 4.340 -0.000 0.000 0.223 101 R C 2.184 178.188 176.300 -0.493 0.000 1.088 101 R CA 0.936 56.578 56.100 -0.764 0.000 0.985 101 R CB -0.310 29.148 30.300 -1.403 0.000 0.880 101 R HN 0.423 nan 8.270 nan 0.000 0.451 102 V N 0.494 120.093 119.914 -0.525 0.000 2.358 102 V HA -0.212 3.908 4.120 -0.000 0.000 0.246 102 V C 1.901 177.982 176.094 -0.021 0.000 1.047 102 V CA 1.519 63.640 62.300 -0.298 0.000 1.035 102 V CB -0.515 31.065 31.823 -0.406 0.000 0.658 102 V HN 0.129 nan 8.190 nan 0.000 0.452 103 F N 0.877 120.752 119.950 -0.124 0.000 2.126 103 F HA -0.160 4.367 4.527 -0.000 0.000 0.299 103 F C 2.579 178.350 175.800 -0.049 0.000 1.096 103 F CA 1.775 59.734 58.000 -0.067 0.000 1.255 103 F CB -1.061 37.882 39.000 -0.094 0.000 0.997 103 F HN 0.121 nan 8.300 nan 0.000 0.479 104 R N 0.614 121.179 120.500 0.108 0.000 2.081 104 R HA -0.130 4.210 4.340 -0.000 0.000 0.235 104 R C 1.882 178.240 176.300 0.096 0.000 1.131 104 R CA 1.221 57.364 56.100 0.070 0.000 0.960 104 R CB -0.973 29.337 30.300 0.018 0.000 0.856 104 R HN 0.151 nan 8.270 nan 0.000 0.436 105 L N 0.298 121.576 121.223 0.092 0.000 2.376 105 L HA 0.041 4.381 4.340 -0.000 0.000 0.219 105 L C 1.741 178.674 176.870 0.104 0.000 1.133 105 L CA 1.233 56.130 54.840 0.095 0.000 0.816 105 L CB -0.493 41.603 42.059 0.062 0.000 0.933 105 L HN 0.234 nan 8.230 nan 0.000 0.449 106 L N -1.203 120.099 121.223 0.132 0.000 2.554 106 L HA 0.181 4.521 4.340 -0.000 0.000 0.226 106 L C 1.437 178.372 176.870 0.108 0.000 1.137 106 L CA 0.677 55.604 54.840 0.144 0.000 0.863 106 L CB -0.364 41.823 42.059 0.212 0.000 0.985 106 L HN 0.474 nan 8.230 nan 0.000 0.451 107 G N -0.112 108.742 108.800 0.090 0.000 2.144 107 G HA2 -0.221 3.739 3.960 -0.000 0.000 0.218 107 G HA3 -0.221 3.739 3.960 -0.000 0.000 0.218 107 G C 0.184 175.112 174.900 0.047 0.000 0.988 107 G CA -0.152 44.987 45.100 0.065 0.000 0.659 107 G HN 0.051 nan 8.290 nan 0.000 0.522 108 V N 0.491 120.433 119.914 0.048 0.000 2.740 108 V HA 0.305 4.425 4.120 -0.000 0.000 0.303 108 V C 1.291 177.391 176.094 0.010 0.000 1.054 108 V CA 1.108 63.412 62.300 0.006 0.000 1.106 108 V CB 1.450 33.256 31.823 -0.028 0.000 0.957 108 V HN 0.481 nan 8.190 nan 0.000 0.486 109 E N 1.183 121.379 120.200 -0.007 0.000 2.485 109 E HA 0.149 4.499 4.350 -0.000 0.000 0.213 109 E C -0.076 176.521 176.600 -0.006 0.000 0.923 109 E CA 0.182 56.583 56.400 0.001 0.000 1.054 109 E CB 1.022 30.727 29.700 0.008 0.000 1.077 109 E HN 0.730 nan 8.360 nan 0.000 0.509 110 T N 1.213 115.751 114.554 -0.026 0.000 2.886 110 T HA 0.486 4.836 4.350 -0.000 0.000 0.292 110 T C -1.337 173.300 174.700 -0.104 0.000 1.012 110 T CA -0.575 61.505 62.100 -0.033 0.000 0.982 110 T CB 2.069 70.946 68.868 0.016 0.000 1.018 110 T HN -0.081 nan 8.240 nan 0.000 0.451 111 L N 3.788 124.926 121.223 -0.143 0.000 2.356 111 L HA 0.790 5.130 4.340 -0.000 0.000 0.277 111 L C -1.301 175.349 176.870 -0.367 0.000 0.996 111 L CA -0.566 54.160 54.840 -0.190 0.000 0.822 111 L CB 1.582 43.578 42.059 -0.105 0.000 1.256 111 L HN 0.472 nan 8.230 nan 0.000 0.413 112 V N 5.601 125.264 119.914 -0.418 0.000 2.417 112 V HA 0.622 4.742 4.120 -0.000 0.000 0.291 112 V C -0.427 175.482 176.094 -0.307 0.000 1.024 112 V CA -0.630 61.307 62.300 -0.605 0.000 0.861 112 V CB 1.737 33.201 31.823 -0.599 0.000 0.985 112 V HN 0.616 nan 8.190 nan 0.000 0.436 113 V N 2.000 121.755 119.914 -0.264 0.000 2.555 113 V HA 0.994 5.114 4.120 -0.000 0.000 0.302 113 V C -0.090 175.954 176.094 -0.084 0.000 1.038 113 V CA -0.320 61.896 62.300 -0.139 0.000 0.887 113 V CB 1.654 33.406 31.823 -0.118 0.000 0.991 113 V HN 0.939 nan 8.190 nan 0.000 0.434 114 T N 1.192 115.729 114.554 -0.028 0.000 2.906 114 T HA 0.759 5.109 4.350 -0.000 0.000 0.295 114 T C -0.723 173.981 174.700 0.008 0.000 1.075 114 T CA -0.489 61.632 62.100 0.035 0.000 1.005 114 T CB 2.168 71.095 68.868 0.098 0.000 1.136 114 T HN 1.299 nan 8.240 nan 0.000 0.498 115 N N -0.291 118.423 118.700 0.024 0.000 3.179 115 N HA 0.551 5.291 4.740 -0.000 0.000 0.250 115 N C -1.749 173.817 175.510 0.093 0.000 1.507 115 N CA -1.354 51.730 53.050 0.056 0.000 0.883 115 N CB 1.506 39.996 38.487 0.006 0.000 1.435 115 N HN 0.970 nan 8.380 nan 0.000 0.532 116 A N -0.239 122.667 122.820 0.144 0.000 2.342 116 A HA 0.895 5.215 4.320 -0.000 0.000 0.323 116 A C -0.913 176.786 177.584 0.192 0.000 1.125 116 A CA -0.329 51.788 52.037 0.134 0.000 0.785 116 A CB 1.304 20.369 19.000 0.110 0.000 1.221 116 A HN 0.990 nan 8.150 nan 0.000 0.463 117 A N 1.033 123.960 122.820 0.178 0.000 2.556 117 A HA 0.831 5.151 4.320 -0.000 0.000 0.294 117 A C 0.103 177.777 177.584 0.150 0.000 1.091 117 A CA -0.105 52.071 52.037 0.231 0.000 0.704 117 A CB 1.206 20.427 19.000 0.369 0.000 1.300 117 A HN 1.913 nan 8.150 nan 0.000 0.406 118 G N -0.039 108.837 108.800 0.127 0.000 2.390 118 G HA2 0.511 4.471 3.960 -0.000 0.000 0.270 118 G HA3 0.511 4.471 3.960 -0.000 0.000 0.270 118 G C 0.362 175.330 174.900 0.114 0.000 1.211 118 G CA 0.258 45.402 45.100 0.072 0.000 0.842 118 G HN 1.268 nan 8.290 nan 0.000 0.519 119 G N 1.084 109.963 108.800 0.132 0.000 2.351 119 G HA2 0.397 4.357 3.960 -0.000 0.000 0.287 119 G HA3 0.397 4.357 3.960 -0.000 0.000 0.287 119 G C 0.801 175.740 174.900 0.066 0.000 1.159 119 G CA -0.528 44.702 45.100 0.217 0.000 0.929 119 G HN 0.543 nan 8.290 nan 0.000 0.435 120 L N 2.300 123.519 121.223 -0.007 0.000 2.253 120 L HA 0.125 4.465 4.340 -0.000 0.000 0.205 120 L C 1.423 178.177 176.870 -0.194 0.000 1.078 120 L CA -0.192 54.600 54.840 -0.080 0.000 0.805 120 L CB -0.111 41.909 42.059 -0.065 0.000 0.963 120 L HN 0.426 nan 8.230 nan 0.000 0.459 121 N N 1.985 120.431 118.700 -0.424 0.000 2.440 121 N HA -0.024 4.716 4.740 -0.000 0.000 0.265 121 N C -1.630 173.610 175.510 -0.451 0.000 1.239 121 N CA -1.087 51.584 53.050 -0.632 0.000 0.909 121 N CB 1.275 38.904 38.487 -1.431 0.000 1.066 121 N HN -0.010 nan 8.380 nan 0.000 0.474 122 P HA -0.139 nan 4.420 nan 0.000 0.221 122 P C 0.270 177.531 177.300 -0.066 0.000 1.145 122 P CA 1.152 64.182 63.100 -0.116 0.000 0.795 122 P CB 0.395 32.045 31.700 -0.083 0.000 0.775 123 N N -1.112 117.531 118.700 -0.096 0.000 2.467 123 N HA 0.013 4.753 4.740 -0.000 0.000 0.184 123 N C 0.475 176.138 175.510 0.255 0.000 1.106 123 N CA 0.475 53.557 53.050 0.052 0.000 0.892 123 N CB -0.185 38.339 38.487 0.061 0.000 0.969 123 N HN 0.133 nan 8.380 nan 0.000 0.454 124 F N 1.639 121.590 119.950 0.001 0.000 2.382 124 F HA 0.344 4.871 4.527 -0.000 0.000 0.331 124 F C 1.048 176.848 175.800 0.001 0.000 1.121 124 F CA -0.703 57.298 58.000 0.001 0.000 1.183 124 F CB 0.580 39.582 39.000 0.003 0.000 1.207 124 F HN -0.220 nan 8.300 nan 0.000 0.555 125 E N 0.329 120.637 120.200 0.180 0.000 2.343 125 E HA 0.353 4.703 4.350 -0.000 0.000 0.270 125 E C -1.073 175.561 176.600 0.056 0.000 0.895 125 E CA -0.931 55.524 56.400 0.092 0.000 0.767 125 E CB 2.721 32.457 29.700 0.060 0.000 1.248 125 E HN 0.155 nan 8.360 nan 0.000 0.440 126 V N 1.240 121.177 119.914 0.038 0.000 2.599 126 V HA 0.271 4.391 4.120 -0.000 0.000 0.300 126 V C 1.454 177.553 176.094 0.009 0.000 1.034 126 V CA 1.801 64.112 62.300 0.019 0.000 1.115 126 V CB 0.370 32.198 31.823 0.008 0.000 0.934 126 V HN 1.020 nan 8.190 nan 0.000 0.485 127 G N 3.524 112.324 108.800 -0.000 0.000 2.195 127 G HA2 -0.180 3.780 3.960 -0.000 0.000 0.224 127 G HA3 -0.180 3.780 3.960 -0.000 0.000 0.224 127 G C -0.028 174.862 174.900 -0.018 0.000 0.990 127 G CA -0.002 45.098 45.100 -0.000 0.000 0.639 127 G HN 0.663 nan 8.290 nan 0.000 0.514 128 D N 0.975 121.340 120.400 -0.058 0.000 2.414 128 D HA 0.421 5.061 4.640 -0.000 0.000 0.242 128 D C 0.778 176.961 176.300 -0.195 0.000 1.129 128 D CA 0.065 53.976 54.000 -0.148 0.000 0.885 128 D CB 0.601 41.249 40.800 -0.254 0.000 1.198 128 D HN 0.140 nan 8.370 nan 0.000 0.437 129 I N 3.034 123.443 120.570 -0.267 0.000 2.321 129 I HA 0.224 4.394 4.170 -0.000 0.000 0.291 129 I C 0.252 176.169 176.117 -0.333 0.000 0.998 129 I CA -0.321 60.824 61.300 -0.259 0.000 1.227 129 I CB 0.877 38.659 38.000 -0.363 0.000 1.368 129 I HN 0.252 nan 8.210 nan 0.000 0.466 130 M N 7.604 127.074 119.600 -0.217 0.000 2.114 130 M HA 0.326 4.806 4.480 -0.000 0.000 0.332 130 M C -1.209 175.071 176.300 -0.033 0.000 1.014 130 M CA -1.011 54.156 55.300 -0.223 0.000 0.956 130 M CB 1.571 34.008 32.600 -0.272 0.000 1.551 130 M HN 0.433 nan 8.290 nan 0.000 0.427 131 L N 7.147 128.355 121.223 -0.026 0.000 2.418 131 L HA 0.308 4.648 4.340 -0.000 0.000 0.274 131 L C -0.813 175.983 176.870 -0.124 0.000 1.135 131 L CA 0.475 55.304 54.840 -0.019 0.000 0.870 131 L CB 0.161 42.192 42.059 -0.045 0.000 1.154 131 L HN 0.636 nan 8.230 nan 0.000 0.462 132 I N 6.432 126.851 120.570 -0.251 0.000 2.494 132 I HA 0.103 4.273 4.170 -0.000 0.000 0.289 132 I C 1.301 177.108 176.117 -0.516 0.000 1.106 132 I CA 0.199 61.269 61.300 -0.384 0.000 1.369 132 I CB 0.284 37.955 38.000 -0.548 0.000 1.410 132 I HN 0.766 nan 8.210 nan 0.000 0.523 133 R N 3.369 123.669 120.500 -0.334 0.000 2.206 133 R HA 0.099 4.439 4.340 -0.000 0.000 0.198 133 R C 0.095 176.269 176.300 -0.210 0.000 0.986 133 R CA 0.612 56.592 56.100 -0.201 0.000 1.029 133 R CB 0.480 30.755 30.300 -0.042 0.000 0.966 133 R HN 0.706 nan 8.270 nan 0.000 0.487 134 D N -1.261 118.974 120.400 -0.276 0.000 2.692 134 D HA 0.178 4.818 4.640 -0.000 0.000 0.303 134 D C -1.629 174.669 176.300 -0.003 0.000 1.278 134 D CA -0.451 53.502 54.000 -0.079 0.000 0.852 134 D CB 1.374 42.174 40.800 0.001 0.000 1.375 134 D HN 0.299 nan 8.370 nan 0.000 0.453 135 H N -1.234 117.933 119.070 0.161 0.000 3.017 135 H HA 0.615 5.171 4.556 -0.000 0.000 0.346 135 H C -1.102 174.289 175.328 0.106 0.000 1.286 135 H CA -0.927 55.218 56.048 0.163 0.000 1.120 135 H CB 1.148 31.078 29.762 0.279 0.000 1.860 135 H HN 0.249 nan 8.280 nan 0.000 0.542 136 I N 2.019 122.762 120.570 0.288 0.000 2.439 136 I HA 0.142 4.312 4.170 -0.000 0.000 0.285 136 I C -0.254 175.842 176.117 -0.035 0.000 1.021 136 I CA -0.429 60.940 61.300 0.115 0.000 1.091 136 I CB 1.683 39.692 38.000 0.016 0.000 1.242 136 I HN 0.598 nan 8.210 nan 0.000 0.439 137 N N 7.110 125.750 118.700 -0.100 0.000 2.767 137 N HA 0.268 5.008 4.740 -0.000 0.000 0.238 137 N C 0.908 176.106 175.510 -0.520 0.000 1.083 137 N CA -0.338 52.569 53.050 -0.238 0.000 0.964 137 N CB 0.773 39.181 38.487 -0.132 0.000 1.252 137 N HN 0.649 nan 8.380 nan 0.000 0.512 138 L N 3.298 124.224 121.223 -0.496 0.000 2.046 138 L HA -0.076 4.264 4.340 -0.000 0.000 0.208 138 L C -0.701 176.038 176.870 -0.218 0.000 1.077 138 L CA 1.288 55.804 54.840 -0.539 0.000 0.747 138 L CB -1.285 40.622 42.059 -0.253 0.000 0.896 138 L HN 0.435 nan 8.230 nan 0.000 0.432 139 P HA -0.134 nan 4.420 nan 0.000 0.218 139 P C 1.521 178.909 177.300 0.146 0.000 1.148 139 P CA 1.606 64.774 63.100 0.114 0.000 0.822 139 P CB -0.167 31.697 31.700 0.272 0.000 0.784 140 G N -1.524 107.317 108.800 0.068 0.000 2.471 140 G HA2 -0.226 3.734 3.960 -0.000 0.000 0.219 140 G HA3 -0.226 3.734 3.960 -0.000 0.000 0.219 140 G C 1.102 176.180 174.900 0.296 0.000 1.125 140 G CA 0.165 45.354 45.100 0.148 0.000 0.775 140 G HN 0.124 nan 8.290 nan 0.000 0.548 141 F N 2.131 122.134 119.950 0.087 0.000 2.234 141 F HA -0.022 4.505 4.527 0.000 0.000 0.299 141 F C 2.802 178.644 175.800 0.070 0.000 1.087 141 F CA 0.879 58.922 58.000 0.073 0.000 1.340 141 F CB -0.656 38.382 39.000 0.062 0.000 1.031 141 F HN 0.261 nan 8.300 nan 0.000 0.500 142 S N -1.122 114.738 115.700 0.267 0.000 2.597 142 S HA 0.418 4.888 4.470 -0.000 0.000 0.224 142 S C 1.587 176.273 174.600 0.143 0.000 0.955 142 S CA 0.344 58.646 58.200 0.171 0.000 0.933 142 S CB -0.114 63.169 63.200 0.138 0.000 0.788 142 S HN 0.552 nan 8.310 nan 0.000 0.488 143 G N 0.857 109.756 108.800 0.166 0.000 2.175 143 G HA2 -0.204 3.756 3.960 -0.000 0.000 0.244 143 G HA3 -0.204 3.756 3.960 -0.000 0.000 0.244 143 G C -0.219 174.777 174.900 0.161 0.000 0.982 143 G CA -0.071 45.116 45.100 0.145 0.000 0.641 143 G HN 0.509 nan 8.290 nan 0.000 0.527 144 E N 1.218 121.535 120.200 0.195 0.000 1.932 144 E HA 0.284 4.634 4.350 -0.000 0.000 0.275 144 E C -0.232 176.633 176.600 0.442 0.000 1.159 144 E CA -0.077 56.482 56.400 0.266 0.000 0.905 144 E CB 0.543 30.391 29.700 0.247 0.000 1.059 144 E HN 0.401 nan 8.360 nan 0.000 0.400 145 N N 3.681 122.621 118.700 0.400 0.000 2.324 145 N HA 0.181 4.920 4.740 -0.000 0.000 0.285 145 N C -2.263 173.428 175.510 0.301 0.000 1.076 145 N CA -1.629 51.594 53.050 0.288 0.000 0.864 145 N CB 2.290 40.866 38.487 0.149 0.000 1.632 145 N HN -0.021 nan 8.380 nan 0.000 0.478 146 P HA -0.026 nan 4.420 nan 0.000 0.228 146 P C 0.939 178.308 177.300 0.116 0.000 1.151 146 P CA 0.796 64.027 63.100 0.218 0.000 0.770 146 P CB 0.582 32.326 31.700 0.074 0.000 0.786 147 L N -1.292 119.945 121.223 0.025 0.000 2.607 147 L HA 0.202 4.542 4.340 -0.000 0.000 0.228 147 L C 1.555 178.414 176.870 -0.019 0.000 1.123 147 L CA -0.439 54.357 54.840 -0.074 0.000 0.890 147 L CB -0.272 41.664 42.059 -0.205 0.000 1.103 147 L HN -0.137 nan 8.230 nan 0.000 0.468 148 R N 1.397 121.931 120.500 0.058 0.000 2.484 148 R HA 0.375 4.715 4.340 -0.000 0.000 0.293 148 R C 0.282 176.600 176.300 0.031 0.000 1.023 148 R CA 1.005 57.140 56.100 0.059 0.000 1.037 148 R CB 0.187 30.550 30.300 0.105 0.000 0.951 148 R HN 0.232 nan 8.270 nan 0.000 0.418 149 G N 4.359 113.162 108.800 0.005 0.000 2.373 149 G HA2 -0.138 3.822 3.960 -0.000 0.000 0.634 149 G HA3 -0.138 3.822 3.960 -0.000 0.000 0.634 149 G C -2.749 172.136 174.900 -0.024 0.000 1.267 149 G CA -0.857 44.235 45.100 -0.014 0.000 1.008 149 G HN 0.580 nan 8.290 nan 0.000 0.497 150 P HA 0.241 nan 4.420 nan 0.000 0.267 150 P C -0.216 177.081 177.300 -0.005 0.000 1.209 150 P CA -0.098 62.990 63.100 -0.020 0.000 0.763 150 P CB 0.621 32.312 31.700 -0.015 0.000 0.816 151 N N 2.400 121.090 118.700 -0.016 0.000 2.492 151 N HA 0.012 4.752 4.740 -0.000 0.000 0.262 151 N C -0.187 175.366 175.510 0.073 0.000 1.202 151 N CA 0.015 53.079 53.050 0.023 0.000 0.926 151 N CB 0.381 38.865 38.487 -0.006 0.000 1.078 151 N HN 0.302 nan 8.380 nan 0.000 0.454 152 E N 1.994 122.292 120.200 0.163 0.000 2.014 152 E HA 0.062 4.412 4.350 -0.000 0.000 0.275 152 E C 0.613 177.274 176.600 0.102 0.000 0.997 152 E CA -0.303 56.184 56.400 0.145 0.000 0.804 152 E CB 0.190 30.060 29.700 0.283 0.000 1.090 152 E HN 0.668 nan 8.360 nan 0.000 0.401 153 E N 4.134 124.333 120.200 -0.001 0.000 2.171 153 E HA -0.298 4.052 4.350 -0.000 0.000 0.197 153 E C 1.219 177.758 176.600 -0.102 0.000 0.997 153 E CA 1.077 57.452 56.400 -0.043 0.000 0.810 153 E CB -0.086 29.573 29.700 -0.068 0.000 0.738 153 E HN 0.421 nan 8.360 nan 0.000 0.467 154 R N -0.908 119.465 120.500 -0.213 0.000 2.285 154 R HA -0.031 4.309 4.340 -0.000 0.000 0.213 154 R C 1.099 177.230 176.300 -0.281 0.000 1.068 154 R CA 1.011 56.902 56.100 -0.348 0.000 1.004 154 R CB -0.069 29.782 30.300 -0.747 0.000 0.873 154 R HN 0.243 nan 8.270 nan 0.000 0.467 155 F N -1.421 118.519 119.950 -0.016 0.000 2.514 155 F HA 0.347 4.874 4.527 -0.000 0.000 0.281 155 F C 1.358 176.958 175.800 -0.332 0.000 1.060 155 F CA 0.549 58.496 58.000 -0.088 0.000 1.397 155 F CB 0.356 39.350 39.000 -0.009 0.000 1.129 155 F HN -0.002 nan 8.300 nan 0.000 0.620 156 G N -0.649 107.995 108.800 -0.259 0.000 2.427 156 G HA2 0.445 4.405 3.960 -0.000 0.000 0.306 156 G HA3 0.445 4.405 3.960 -0.000 0.000 0.306 156 G C -1.443 173.335 174.900 -0.203 0.000 1.280 156 G CA -0.140 44.643 45.100 -0.528 0.000 0.837 156 G HN 0.139 nan 8.290 nan 0.000 0.482 157 V N -1.398 118.458 119.914 -0.098 0.000 3.295 157 V HA 0.718 4.838 4.120 -0.000 0.000 0.308 157 V C 1.780 177.946 176.094 0.120 0.000 1.068 157 V CA 0.312 62.637 62.300 0.042 0.000 1.062 157 V CB 1.409 33.262 31.823 0.050 0.000 1.162 157 V HN 0.970 nan 8.190 nan 0.000 0.456 158 R N 1.091 121.565 120.500 -0.043 0.000 2.066 158 R HA 0.138 4.478 4.340 -0.000 0.000 0.232 158 R C 0.453 176.471 176.300 -0.471 0.000 1.131 158 R CA 1.591 57.493 56.100 -0.331 0.000 0.955 158 R CB -0.388 29.557 30.300 -0.591 0.000 0.851 158 R HN 0.710 nan 8.270 nan 0.000 0.432 159 F N 2.923 122.926 119.950 0.089 0.000 2.371 159 F HA 0.422 4.949 4.527 -0.000 0.000 0.343 159 F C -1.937 173.912 175.800 0.082 0.000 1.150 159 F CA -2.713 55.332 58.000 0.074 0.000 1.220 159 F CB 0.878 39.909 39.000 0.053 0.000 1.475 159 F HN 0.030 nan 8.300 nan 0.000 0.521 160 P HA 0.357 nan 4.420 nan 0.000 0.275 160 P C -0.466 176.921 177.300 0.145 0.000 1.227 160 P CA -0.220 62.988 63.100 0.179 0.000 0.781 160 P CB 1.580 33.412 31.700 0.219 0.000 0.906 161 A N 3.255 126.137 122.820 0.103 0.000 2.322 161 A HA 0.458 4.778 4.320 -0.000 0.000 0.269 161 A C 0.872 178.489 177.584 0.055 0.000 1.094 161 A CA -0.321 51.762 52.037 0.076 0.000 0.807 161 A CB 0.228 19.261 19.000 0.054 0.000 1.047 161 A HN 0.523 nan 8.150 nan 0.000 0.487 162 M N 1.408 121.034 119.600 0.044 0.000 2.279 162 M HA 0.027 4.507 4.480 -0.000 0.000 0.306 162 M C 1.850 178.132 176.300 -0.030 0.000 0.965 162 M CA 0.849 56.155 55.300 0.010 0.000 1.038 162 M CB -0.687 31.940 32.600 0.045 0.000 1.636 162 M HN 0.929 nan 8.290 nan 0.000 0.574 163 S N 1.096 116.795 115.700 -0.002 0.000 2.442 163 S HA -0.114 4.356 4.470 -0.000 0.000 0.236 163 S C 0.948 175.551 174.600 0.006 0.000 1.007 163 S CA 1.526 59.727 58.200 0.001 0.000 0.965 163 S CB -0.497 62.712 63.200 0.016 0.000 0.773 163 S HN 0.543 nan 8.310 nan 0.000 0.504 164 D N 0.328 120.726 120.400 -0.003 0.000 2.538 164 D HA 0.474 5.114 4.640 -0.000 0.000 0.231 164 D C 1.310 177.588 176.300 -0.036 0.000 1.229 164 D CA 0.297 54.299 54.000 0.003 0.000 0.828 164 D CB 0.094 40.898 40.800 0.007 0.000 1.035 164 D HN 0.362 nan 8.370 nan 0.000 0.495 165 A N 0.115 122.873 122.820 -0.104 0.000 1.940 165 A HA -0.165 4.155 4.320 -0.000 0.000 0.219 165 A C 0.337 177.665 177.584 -0.428 0.000 1.176 165 A CA 0.802 52.666 52.037 -0.288 0.000 0.631 165 A CB -0.787 17.959 19.000 -0.425 0.000 0.814 165 A HN 0.328 nan 8.150 nan 0.000 0.446 166 Y N 1.004 121.305 120.300 0.001 0.000 2.518 166 Y HA 0.238 4.788 4.550 -0.000 0.000 0.344 166 Y C 0.262 176.173 175.900 0.019 0.000 0.982 166 Y CA -1.420 56.688 58.100 0.013 0.000 1.234 166 Y CB 0.216 38.675 38.460 -0.002 0.000 1.114 166 Y HN 0.248 nan 8.280 nan 0.000 0.515 167 D N 3.264 123.731 120.400 0.111 0.000 2.662 167 D HA -0.124 4.516 4.640 -0.000 0.000 0.237 167 D C 0.841 177.173 176.300 0.054 0.000 1.154 167 D CA 0.456 54.500 54.000 0.074 0.000 0.861 167 D CB 0.726 41.578 40.800 0.087 0.000 1.146 167 D HN 0.658 nan 8.370 nan 0.000 0.518 168 R N 2.853 123.378 120.500 0.042 0.000 2.073 168 R HA -0.119 4.221 4.340 -0.000 0.000 0.234 168 R C 1.689 177.993 176.300 0.008 0.000 1.134 168 R CA 1.206 57.326 56.100 0.034 0.000 0.952 168 R CB -0.082 30.238 30.300 0.034 0.000 0.850 168 R HN 0.450 nan 8.270 nan 0.000 0.433 169 D N -0.150 120.247 120.400 -0.005 0.000 2.149 169 D HA -0.144 4.496 4.640 -0.000 0.000 0.198 169 D C 1.694 177.947 176.300 -0.077 0.000 0.990 169 D CA 1.151 55.137 54.000 -0.023 0.000 0.839 169 D CB -0.023 40.767 40.800 -0.015 0.000 0.948 169 D HN 0.091 nan 8.370 nan 0.000 0.460 170 M N -0.016 119.494 119.600 -0.151 0.000 2.200 170 M HA -0.008 4.472 4.480 -0.000 0.000 0.265 170 M C 1.999 178.113 176.300 -0.310 0.000 1.066 170 M CA 1.029 56.102 55.300 -0.379 0.000 1.127 170 M CB -0.683 31.461 32.600 -0.761 0.000 1.379 170 M HN -0.006 nan 8.290 nan 0.000 0.420 171 R N -0.509 119.904 120.500 -0.145 0.000 2.148 171 R HA -0.164 4.176 4.340 -0.000 0.000 0.227 171 R C 2.174 178.526 176.300 0.086 0.000 1.103 171 R CA 1.018 57.096 56.100 -0.037 0.000 0.983 171 R CB -0.222 30.099 30.300 0.034 0.000 0.874 171 R HN 0.344 nan 8.270 nan 0.000 0.451 172 Q N 1.170 121.007 119.800 0.060 0.000 2.049 172 Q HA -0.121 4.219 4.340 -0.000 0.000 0.198 172 Q C 1.746 177.803 176.000 0.096 0.000 0.971 172 Q CA 1.644 57.509 55.803 0.102 0.000 0.833 172 Q CB 0.112 28.879 28.738 0.048 0.000 0.896 172 Q HN -0.005 nan 8.270 nan 0.000 0.434 173 K N -0.627 119.780 120.400 0.012 0.000 2.097 173 K HA -0.003 4.317 4.320 -0.000 0.000 0.205 173 K C 1.837 178.465 176.600 0.048 0.000 1.050 173 K CA 1.084 57.376 56.287 0.009 0.000 0.938 173 K CB -0.301 32.161 32.500 -0.062 0.000 0.718 173 K HN 0.293 nan 8.250 nan 0.000 0.442 174 A N 0.407 123.232 122.820 0.009 0.000 1.933 174 A HA -0.206 4.114 4.320 -0.000 0.000 0.218 174 A C 1.817 179.555 177.584 0.256 0.000 1.175 174 A CA 1.545 53.655 52.037 0.122 0.000 0.628 174 A CB -0.715 18.362 19.000 0.128 0.000 0.814 174 A HN 0.337 nan 8.150 nan 0.000 0.444 175 H N -0.249 118.945 119.070 0.205 0.000 2.357 175 H HA -0.038 4.518 4.556 -0.000 0.000 0.301 175 H C 2.574 178.028 175.328 0.210 0.000 1.082 175 H CA 1.613 57.771 56.048 0.184 0.000 1.342 175 H CB -0.220 29.599 29.762 0.094 0.000 1.389 175 H HN 0.492 nan 8.280 nan 0.000 0.511 176 S N 0.008 115.871 115.700 0.272 0.000 2.356 176 S HA -0.127 4.343 4.470 -0.000 0.000 0.223 176 S C 2.270 176.993 174.600 0.205 0.000 1.032 176 S CA 1.728 60.044 58.200 0.193 0.000 1.005 176 S CB -0.342 62.934 63.200 0.127 0.000 0.867 176 S HN 0.484 nan 8.310 nan 0.000 0.449 177 T N 1.302 115.997 114.554 0.236 0.000 2.759 177 T HA -0.152 4.198 4.350 -0.000 0.000 0.269 177 T C 1.340 176.232 174.700 0.319 0.000 1.042 177 T CA 1.037 63.292 62.100 0.258 0.000 1.140 177 T CB -0.356 68.676 68.868 0.273 0.000 0.864 177 T HN 0.582 nan 8.240 nan 0.000 0.455 178 W N 2.405 123.812 121.300 0.178 0.000 2.363 178 W HA -0.111 4.549 4.660 0.000 0.000 0.296 178 W C 1.819 178.325 176.519 -0.023 0.000 1.212 178 W CA 1.107 58.429 57.345 -0.037 0.000 1.260 178 W CB -0.160 29.214 29.460 -0.143 0.000 1.131 178 W HN 0.280 nan 8.180 nan 0.000 0.530 179 K N 0.130 120.650 120.400 0.201 0.000 2.057 179 K HA -0.214 4.106 4.320 -0.000 0.000 0.207 179 K C 2.052 178.642 176.600 -0.017 0.000 1.049 179 K CA 1.702 58.039 56.287 0.082 0.000 0.931 179 K CB -0.470 32.105 32.500 0.125 0.000 0.714 179 K HN 0.277 nan 8.250 nan 0.000 0.440 180 Q N 0.148 119.953 119.800 0.009 0.000 2.224 180 Q HA -0.055 4.285 4.340 -0.000 0.000 0.203 180 Q C 1.878 177.830 176.000 -0.080 0.000 0.970 180 Q CA 1.058 56.851 55.803 -0.016 0.000 0.865 180 Q CB -0.057 28.693 28.738 0.020 0.000 0.922 180 Q HN 0.355 nan 8.270 nan 0.000 0.445 181 M N -0.705 118.800 119.600 -0.158 0.000 2.557 181 M HA 0.018 4.498 4.480 -0.000 0.000 0.259 181 M C 0.829 176.955 176.300 -0.289 0.000 1.086 181 M CA 0.793 55.941 55.300 -0.252 0.000 1.096 181 M CB 0.197 32.544 32.600 -0.421 0.000 1.424 181 M HN 0.382 nan 8.290 nan 0.000 0.488 182 G N 1.590 110.234 108.800 -0.260 0.000 2.272 182 G HA2 -0.191 3.769 3.960 -0.000 0.000 0.280 182 G HA3 -0.191 3.769 3.960 -0.000 0.000 0.280 182 G C -0.352 174.384 174.900 -0.273 0.000 1.067 182 G CA -0.202 44.773 45.100 -0.208 0.000 0.902 182 G HN 0.394 nan 8.290 nan 0.000 0.500 183 E N 0.030 119.958 120.200 -0.454 0.000 2.338 183 E HA 0.146 4.496 4.350 -0.000 0.000 0.272 183 E C 1.738 178.247 176.600 -0.152 0.000 1.029 183 E CA -0.225 55.909 56.400 -0.444 0.000 0.872 183 E CB 0.947 30.067 29.700 -0.966 0.000 1.015 183 E HN 0.595 nan 8.360 nan 0.000 0.417 184 Q N 3.016 122.767 119.800 -0.081 0.000 2.172 184 Q HA -0.106 4.234 4.340 -0.000 0.000 0.200 184 Q C 0.599 176.637 176.000 0.063 0.000 0.964 184 Q CA 1.054 56.853 55.803 -0.007 0.000 0.855 184 Q CB -0.051 28.678 28.738 -0.014 0.000 0.918 184 Q HN 0.149 nan 8.270 nan 0.000 0.444 185 R N 1.755 122.326 120.500 0.120 0.000 2.404 185 R HA 0.168 4.508 4.340 -0.000 0.000 0.291 185 R C -0.334 176.163 176.300 0.327 0.000 1.025 185 R CA -0.330 55.876 56.100 0.177 0.000 0.991 185 R CB 0.764 31.161 30.300 0.161 0.000 1.053 185 R HN 0.024 nan 8.270 nan 0.000 0.479 186 E N 2.265 122.578 120.200 0.189 0.000 2.392 186 E HA 0.031 4.381 4.350 -0.000 0.000 0.259 186 E C -0.571 175.949 176.600 -0.133 0.000 1.108 186 E CA -0.544 55.942 56.400 0.143 0.000 0.916 186 E CB 0.680 30.420 29.700 0.067 0.000 0.989 186 E HN 0.344 nan 8.360 nan 0.000 0.432 187 L N 3.566 124.515 121.223 -0.457 0.000 2.278 187 L HA 0.058 4.398 4.340 -0.000 0.000 0.287 187 L C 0.150 176.809 176.870 -0.352 0.000 1.072 187 L CA 0.025 54.311 54.840 -0.924 0.000 0.819 187 L CB 0.435 41.764 42.059 -1.217 0.000 1.176 187 L HN 0.239 nan 8.230 nan 0.000 0.435 188 Q N 3.829 123.407 119.800 -0.369 0.000 2.471 188 Q HA 0.316 4.656 4.340 -0.000 0.000 0.223 188 Q C -0.540 175.392 176.000 -0.115 0.000 1.045 188 Q CA -0.073 55.599 55.803 -0.219 0.000 0.956 188 Q CB 1.061 29.495 28.738 -0.507 0.000 1.249 188 Q HN 0.732 nan 8.270 nan 0.000 0.549 189 E N -1.440 118.774 120.200 0.022 0.000 2.354 189 E HA 0.590 4.940 4.350 -0.000 0.000 0.283 189 E C -1.319 175.359 176.600 0.130 0.000 0.938 189 E CA -0.355 56.082 56.400 0.062 0.000 0.777 189 E CB 1.485 31.264 29.700 0.132 0.000 1.222 189 E HN 0.715 nan 8.360 nan 0.000 0.423 190 G N 0.844 109.700 108.800 0.094 0.000 2.341 190 G HA2 0.362 4.322 3.960 -0.000 0.000 0.299 190 G HA3 0.362 4.322 3.960 -0.000 0.000 0.299 190 G C -1.074 173.863 174.900 0.062 0.000 1.274 190 G CA -0.100 45.073 45.100 0.121 0.000 0.853 190 G HN 0.544 nan 8.290 nan 0.000 0.493 191 T N -1.734 112.869 114.554 0.081 0.000 2.795 191 T HA 0.616 4.966 4.350 -0.000 0.000 0.282 191 T C -0.919 173.870 174.700 0.148 0.000 0.980 191 T CA -0.469 61.677 62.100 0.076 0.000 1.012 191 T CB 1.257 70.162 68.868 0.061 0.000 0.936 191 T HN 0.900 nan 8.240 nan 0.000 0.457 192 Y N 3.976 124.288 120.300 0.020 0.000 2.323 192 Y HA 0.615 5.165 4.550 -0.000 0.000 0.331 192 Y C -0.699 175.240 175.900 0.064 0.000 1.092 192 Y CA -0.940 57.187 58.100 0.045 0.000 1.150 192 Y CB 1.310 39.783 38.460 0.022 0.000 1.200 192 Y HN 0.696 nan 8.280 nan 0.000 0.472 193 V N 8.707 128.351 119.914 -0.449 0.000 2.459 193 V HA 0.450 4.570 4.120 -0.000 0.000 0.295 193 V C -0.803 174.924 176.094 -0.612 0.000 1.029 193 V CA -0.848 61.235 62.300 -0.361 0.000 0.874 193 V CB 1.438 33.148 31.823 -0.187 0.000 0.985 193 V HN 0.969 nan 8.190 nan 0.000 0.438 194 M N 6.219 125.607 119.600 -0.354 0.000 2.363 194 M HA 0.595 5.075 4.480 -0.000 0.000 0.343 194 M C -1.871 174.367 176.300 -0.105 0.000 1.165 194 M CA -0.520 54.648 55.300 -0.220 0.000 1.046 194 M CB 1.565 34.133 32.600 -0.053 0.000 1.648 194 M HN 0.617 nan 8.290 nan 0.000 0.452 195 L N 2.435 123.642 121.223 -0.026 0.000 2.309 195 L HA 0.614 4.954 4.340 -0.000 0.000 0.261 195 L C 1.084 178.012 176.870 0.097 0.000 1.021 195 L CA 0.056 54.909 54.840 0.022 0.000 0.823 195 L CB 1.885 43.957 42.059 0.020 0.000 1.366 195 L HN 0.863 nan 8.230 nan 0.000 0.423 196 G N -0.408 108.455 108.800 0.104 0.000 2.394 196 G HA2 0.381 4.341 3.960 -0.000 0.000 0.215 196 G HA3 0.381 4.341 3.960 -0.000 0.000 0.215 196 G C 0.664 175.677 174.900 0.188 0.000 1.165 196 G CA 0.758 45.949 45.100 0.152 0.000 0.784 196 G HN 1.149 nan 8.290 nan 0.000 0.535 197 G N 0.097 108.953 108.800 0.094 0.000 2.681 197 G HA2 -0.105 3.855 3.960 -0.000 0.000 0.220 197 G HA3 -0.105 3.855 3.960 -0.000 0.000 0.220 197 G C -1.208 173.665 174.900 -0.045 0.000 1.353 197 G CA 0.137 45.235 45.100 -0.003 0.000 0.872 197 G HN 0.384 nan 8.290 nan 0.000 0.557 198 P HA 0.109 nan 4.420 nan 0.000 0.261 198 P C 0.513 177.486 177.300 -0.546 0.000 1.268 198 P CA 0.371 63.131 63.100 -0.567 0.000 0.833 198 P CB -0.173 31.083 31.700 -0.739 0.000 1.231 199 N N 0.558 119.056 118.700 -0.337 0.000 2.467 199 N HA 0.026 4.766 4.740 -0.000 0.000 0.262 199 N C -0.541 174.805 175.510 -0.273 0.000 1.234 199 N CA -0.170 52.693 53.050 -0.311 0.000 0.952 199 N CB 0.506 38.913 38.487 -0.133 0.000 1.158 199 N HN -0.210 nan 8.380 nan 0.000 0.463 200 F N 0.213 120.143 119.950 -0.033 0.000 2.370 200 F HA 0.227 4.753 4.527 -0.000 0.000 0.324 200 F C 0.939 176.735 175.800 -0.007 0.000 1.116 200 F CA -0.606 57.388 58.000 -0.010 0.000 1.123 200 F CB 0.350 39.352 39.000 0.004 0.000 1.238 200 F HN 0.419 nan 8.300 nan 0.000 0.536 201 E N -0.298 120.038 120.200 0.227 0.000 2.408 201 E HA 0.248 4.598 4.350 -0.000 0.000 0.259 201 E C 0.114 176.764 176.600 0.084 0.000 1.110 201 E CA -0.206 56.261 56.400 0.112 0.000 0.929 201 E CB 0.137 29.885 29.700 0.081 0.000 0.971 201 E HN 0.588 nan 8.360 nan 0.000 0.438 202 T N -2.467 112.119 114.554 0.053 0.000 2.912 202 T HA 0.243 4.593 4.350 -0.000 0.000 0.280 202 T C 1.181 175.896 174.700 0.025 0.000 0.989 202 T CA -0.843 61.280 62.100 0.038 0.000 0.995 202 T CB 0.885 69.771 68.868 0.029 0.000 1.077 202 T HN 0.112 nan 8.240 nan 0.000 0.531 203 V N 1.391 121.315 119.914 0.017 0.000 2.287 203 V HA -0.146 3.974 4.120 -0.000 0.000 0.248 203 V C 3.137 179.236 176.094 0.008 0.000 1.053 203 V CA 2.369 64.675 62.300 0.009 0.000 1.027 203 V CB -1.692 30.134 31.823 0.005 0.000 0.646 203 V HN 1.077 nan 8.190 nan 0.000 0.447 204 A N -0.307 122.520 122.820 0.011 0.000 1.908 204 A HA -0.269 4.051 4.320 -0.000 0.000 0.218 204 A C 2.178 179.770 177.584 0.013 0.000 1.181 204 A CA 2.058 54.102 52.037 0.011 0.000 0.627 204 A CB -0.492 18.516 19.000 0.013 0.000 0.818 204 A HN 0.642 nan 8.150 nan 0.000 0.445 205 E N -1.020 119.190 120.200 0.017 0.000 2.106 205 E HA -0.151 4.199 4.350 -0.000 0.000 0.192 205 E C 2.015 178.623 176.600 0.013 0.000 0.984 205 E CA 1.181 57.592 56.400 0.019 0.000 0.806 205 E CB -0.331 29.384 29.700 0.026 0.000 0.750 205 E HN 0.681 nan 8.360 nan 0.000 0.458 206 C N 0.591 119.898 119.300 0.011 0.000 2.440 206 C HA -0.042 4.418 4.460 -0.000 0.000 0.278 206 C C 2.466 177.453 174.990 -0.005 0.000 1.295 206 C CA 0.454 59.473 59.018 0.002 0.000 1.738 206 C CB -0.787 26.953 27.740 -0.001 0.000 1.987 206 C HN 0.377 nan 8.230 nan 0.000 0.492 207 R N 0.495 120.993 120.500 -0.003 0.000 2.115 207 R HA -0.053 4.287 4.340 -0.000 0.000 0.230 207 R C 2.208 178.507 176.300 -0.002 0.000 1.111 207 R CA 0.939 57.035 56.100 -0.006 0.000 0.976 207 R CB -0.460 29.838 30.300 -0.003 0.000 0.870 207 R HN 0.565 nan 8.270 nan 0.000 0.445 208 L N 1.031 122.257 121.223 0.005 0.000 2.005 208 L HA -0.144 4.196 4.340 -0.000 0.000 0.207 208 L C 2.046 178.922 176.870 0.011 0.000 1.072 208 L CA 1.434 56.281 54.840 0.012 0.000 0.744 208 L CB -0.197 41.873 42.059 0.019 0.000 0.895 208 L HN 0.151 nan 8.230 nan 0.000 0.433 209 L N -0.137 121.089 121.223 0.004 0.000 2.079 209 L HA -0.227 4.113 4.340 -0.000 0.000 0.210 209 L C 2.834 179.697 176.870 -0.011 0.000 1.081 209 L CA 1.203 56.041 54.840 -0.004 0.000 0.752 209 L CB -0.619 41.430 42.059 -0.016 0.000 0.896 209 L HN 0.324 nan 8.230 nan 0.000 0.433 210 R N 0.730 121.219 120.500 -0.018 0.000 2.075 210 R HA -0.103 4.237 4.340 -0.000 0.000 0.232 210 R C 1.969 178.256 176.300 -0.021 0.000 1.126 210 R CA 1.403 57.484 56.100 -0.031 0.000 0.963 210 R CB -0.495 29.780 30.300 -0.042 0.000 0.858 210 R HN 0.289 nan 8.270 nan 0.000 0.435 211 N N 0.454 119.148 118.700 -0.009 0.000 2.166 211 N HA -0.102 4.638 4.740 -0.000 0.000 0.186 211 N C 1.384 176.900 175.510 0.009 0.000 1.019 211 N CA 1.168 54.217 53.050 -0.001 0.000 0.856 211 N CB -0.150 38.340 38.487 0.004 0.000 0.993 211 N HN 0.282 nan 8.380 nan 0.000 0.426 212 L N -0.487 120.747 121.223 0.018 0.000 2.622 212 L HA 0.053 4.393 4.340 -0.000 0.000 0.233 212 L C 1.291 178.179 176.870 0.030 0.000 1.156 212 L CA 0.561 55.422 54.840 0.035 0.000 0.866 212 L CB -0.506 41.586 42.059 0.054 0.000 0.980 212 L HN 0.276 nan 8.230 nan 0.000 0.448 213 G N -0.497 108.309 108.800 0.010 0.000 2.176 213 G HA2 -0.239 3.721 3.960 -0.000 0.000 0.232 213 G HA3 -0.239 3.721 3.960 -0.000 0.000 0.232 213 G C 0.385 175.285 174.900 0.000 0.000 0.986 213 G CA -0.089 45.014 45.100 0.005 0.000 0.643 213 G HN 0.494 nan 8.290 nan 0.000 0.522 214 A N 0.132 122.949 122.820 -0.005 0.000 2.425 214 A HA 0.578 4.898 4.320 -0.000 0.000 0.249 214 A C 1.027 178.594 177.584 -0.029 0.000 1.084 214 A CA 0.800 52.833 52.037 -0.008 0.000 0.781 214 A CB 0.363 19.347 19.000 -0.026 0.000 1.019 214 A HN 0.192 nan 8.150 nan 0.000 0.490 215 D N 0.387 120.791 120.400 0.005 0.000 2.380 215 D HA 0.334 4.974 4.640 -0.000 0.000 0.212 215 D C 0.479 176.827 176.300 0.080 0.000 1.021 215 D CA 1.414 55.395 54.000 -0.031 0.000 0.884 215 D CB 0.547 41.391 40.800 0.072 0.000 1.001 215 D HN 0.688 nan 8.370 nan 0.000 0.506 216 A N 0.563 123.467 122.820 0.139 0.000 2.549 216 A HA 0.549 4.869 4.320 -0.000 0.000 0.297 216 A C -1.398 176.188 177.584 0.003 0.000 1.061 216 A CA -0.577 51.564 52.037 0.174 0.000 0.690 216 A CB 2.339 21.542 19.000 0.338 0.000 1.287 216 A HN -0.068 nan 8.150 nan 0.000 0.402 217 V N 1.277 121.182 119.914 -0.016 0.000 2.555 217 V HA 0.925 5.045 4.120 -0.000 0.000 0.302 217 V C 0.245 176.295 176.094 -0.073 0.000 1.038 217 V CA 0.733 62.941 62.300 -0.154 0.000 0.887 217 V CB 1.587 33.378 31.823 -0.054 0.000 0.991 217 V HN 1.797 nan 8.190 nan 0.000 0.434 218 G N 4.495 113.148 108.800 -0.246 0.000 2.727 218 G HA2 0.531 4.491 3.960 -0.000 0.000 0.289 218 G HA3 0.531 4.491 3.960 -0.000 0.000 0.289 218 G C -0.710 174.284 174.900 0.157 0.000 1.418 218 G CA -0.676 44.514 45.100 0.150 0.000 0.818 218 G HN 0.669 nan 8.290 nan 0.000 0.486 219 M N 1.115 120.903 119.600 0.313 0.000 2.589 219 M HA 0.321 4.801 4.480 -0.000 0.000 0.344 219 M C 0.446 176.966 176.300 0.366 0.000 1.168 219 M CA -0.249 55.239 55.300 0.314 0.000 0.956 219 M CB 0.676 33.500 32.600 0.374 0.000 1.370 219 M HN 0.619 nan 8.290 nan 0.000 0.518 220 S N -2.784 113.135 115.700 0.364 0.000 2.815 220 S HA 0.614 5.084 4.470 -0.000 0.000 0.296 220 S C 0.495 175.192 174.600 0.162 0.000 1.224 220 S CA 0.186 58.534 58.200 0.246 0.000 0.938 220 S CB 1.564 64.923 63.200 0.265 0.000 1.285 220 S HN 0.212 nan 8.310 nan 0.000 0.549 221 T N -0.026 114.536 114.554 0.014 0.000 12.380 221 T HA -0.274 4.076 4.350 -0.000 0.000 0.415 221 T C 1.374 176.016 174.700 -0.096 0.000 1.471 221 T CA 1.643 63.704 62.100 -0.065 0.000 2.420 221 T CB -2.234 66.541 68.868 -0.155 0.000 2.818 221 T HN 1.039 nan 8.240 nan 0.000 0.798 222 V N 2.752 122.615 119.914 -0.084 0.000 2.282 222 V HA -0.173 3.947 4.120 -0.000 0.000 0.249 222 V C -0.201 175.706 176.094 -0.311 0.000 1.057 222 V CA 2.809 64.954 62.300 -0.258 0.000 1.032 222 V CB -1.549 30.064 31.823 -0.350 0.000 0.645 222 V HN 0.443 nan 8.190 nan 0.000 0.447 223 P HA -0.134 nan 4.420 nan 0.000 0.218 223 P C 1.535 178.688 177.300 -0.245 0.000 1.149 223 P CA 1.307 64.149 63.100 -0.430 0.000 0.817 223 P CB -0.027 31.288 31.700 -0.642 0.000 0.785 224 E N -0.742 119.341 120.200 -0.194 0.000 2.106 224 E HA -0.095 4.255 4.350 -0.000 0.000 0.192 224 E C 1.896 178.415 176.600 -0.135 0.000 0.984 224 E CA 0.891 57.201 56.400 -0.150 0.000 0.806 224 E CB -0.549 29.074 29.700 -0.130 0.000 0.750 224 E HN 0.067 nan 8.360 nan 0.000 0.458 225 V N 1.389 121.224 119.914 -0.131 0.000 2.427 225 V HA -0.223 3.897 4.120 -0.000 0.000 0.248 225 V C 2.190 178.225 176.094 -0.098 0.000 1.051 225 V CA 1.329 63.555 62.300 -0.123 0.000 1.048 225 V CB -0.345 31.422 31.823 -0.095 0.000 0.666 225 V HN 0.256 nan 8.190 nan 0.000 0.456 226 I N -0.250 120.268 120.570 -0.088 0.000 2.142 226 I HA -0.207 3.963 4.170 -0.000 0.000 0.240 226 I C 2.390 178.481 176.117 -0.043 0.000 1.078 226 I CA 1.372 62.644 61.300 -0.048 0.000 1.343 226 I CB -0.434 37.521 38.000 -0.074 0.000 1.046 226 I HN 0.140 nan 8.210 nan 0.000 0.405 227 V N 1.061 120.922 119.914 -0.088 0.000 2.343 227 V HA -0.280 3.840 4.120 -0.000 0.000 0.247 227 V C 2.708 178.756 176.094 -0.077 0.000 1.051 227 V CA 1.921 64.167 62.300 -0.090 0.000 1.036 227 V CB -1.048 30.686 31.823 -0.149 0.000 0.654 227 V HN 0.491 nan 8.190 nan 0.000 0.451 228 A N 0.015 122.776 122.820 -0.097 0.000 1.877 228 A HA -0.201 4.119 4.320 -0.000 0.000 0.216 228 A C 2.333 179.881 177.584 -0.060 0.000 1.186 228 A CA 1.535 53.518 52.037 -0.091 0.000 0.620 228 A CB -0.451 18.491 19.000 -0.096 0.000 0.822 228 A HN 0.392 nan 8.150 nan 0.000 0.443 229 R N -0.854 119.616 120.500 -0.049 0.000 2.148 229 R HA -0.096 4.244 4.340 -0.000 0.000 0.227 229 R C 2.047 178.359 176.300 0.021 0.000 1.103 229 R CA 1.344 57.427 56.100 -0.030 0.000 0.983 229 R CB -1.045 29.229 30.300 -0.043 0.000 0.874 229 R HN 0.860 nan 8.270 nan 0.000 0.451 230 H N 0.285 119.321 119.070 -0.056 0.000 2.389 230 H HA -0.090 4.466 4.556 -0.000 0.000 0.299 230 H C 1.351 176.670 175.328 -0.014 0.000 1.081 230 H CA 1.731 57.759 56.048 -0.033 0.000 1.345 230 H CB 0.348 30.082 29.762 -0.047 0.000 1.393 230 H HN 0.304 nan 8.280 nan 0.000 0.520 231 C N -0.886 118.365 119.300 -0.082 0.000 2.754 231 C HA 0.566 5.026 4.460 -0.000 0.000 0.276 231 C C 1.648 176.614 174.990 -0.039 0.000 1.264 231 C CA 0.274 59.244 59.018 -0.079 0.000 1.700 231 C CB -0.444 27.249 27.740 -0.078 0.000 1.885 231 C HN 0.723 nan 8.230 nan 0.000 0.607 232 G N 0.467 109.240 108.800 -0.046 0.000 2.141 232 G HA2 -0.155 3.805 3.960 -0.000 0.000 0.231 232 G HA3 -0.155 3.805 3.960 -0.000 0.000 0.231 232 G C -0.416 174.473 174.900 -0.018 0.000 0.984 232 G CA 0.038 45.122 45.100 -0.026 0.000 0.660 232 G HN 0.445 nan 8.290 nan 0.000 0.525 233 L N 0.996 122.203 121.223 -0.027 0.000 2.380 233 L HA 0.484 4.824 4.340 -0.000 0.000 0.273 233 L C 1.258 178.111 176.870 -0.028 0.000 1.138 233 L CA -0.610 54.215 54.840 -0.025 0.000 0.832 233 L CB 1.023 43.060 42.059 -0.036 0.000 1.124 233 L HN 0.402 nan 8.230 nan 0.000 0.454 234 R N 2.776 123.271 120.500 -0.007 0.000 2.442 234 R HA 0.497 4.837 4.340 -0.000 0.000 0.291 234 R C -1.432 174.872 176.300 0.008 0.000 1.069 234 R CA -0.271 55.840 56.100 0.017 0.000 1.022 234 R CB 0.590 30.923 30.300 0.055 0.000 0.976 234 R HN 0.435 nan 8.270 nan 0.000 0.443 235 V N 6.078 125.995 119.914 0.005 0.000 2.709 235 V HA 0.602 4.722 4.120 -0.000 0.000 0.308 235 V C -0.924 175.237 176.094 0.111 0.000 1.062 235 V CA -0.718 61.555 62.300 -0.045 0.000 0.901 235 V CB 1.488 33.203 31.823 -0.180 0.000 1.003 235 V HN 0.789 nan 8.190 nan 0.000 0.425 236 F N 1.406 121.315 119.950 -0.067 0.000 2.628 236 F HA 0.974 5.501 4.527 -0.000 0.000 0.309 236 F C -0.192 175.465 175.800 -0.238 0.000 1.108 236 F CA -0.496 57.452 58.000 -0.088 0.000 0.971 236 F CB 1.591 40.504 39.000 -0.146 0.000 1.279 236 F HN 0.752 nan 8.300 nan 0.000 0.441 237 G N 1.351 110.007 108.800 -0.240 0.000 2.725 237 G HA2 0.768 4.728 3.960 -0.000 0.000 0.288 237 G HA3 0.768 4.728 3.960 -0.000 0.000 0.288 237 G C -2.446 171.947 174.900 -0.845 0.000 1.399 237 G CA -1.077 43.728 45.100 -0.491 0.000 0.859 237 G HN 0.584 nan 8.290 nan 0.000 0.479 238 F N -0.341 119.595 119.950 -0.022 0.000 2.578 238 F HA 0.651 5.178 4.527 0.000 0.000 0.311 238 F C 0.263 176.022 175.800 -0.069 0.000 1.094 238 F CA -0.820 57.165 58.000 -0.025 0.000 0.923 238 F CB 2.756 41.787 39.000 0.051 0.000 1.230 238 F HN 0.314 nan 8.300 nan 0.000 0.450 239 S N 2.421 118.179 115.700 0.097 0.000 2.472 239 S HA 0.613 5.083 4.470 -0.000 0.000 0.303 239 S C -1.284 173.352 174.600 0.059 0.000 1.099 239 S CA -0.505 57.723 58.200 0.047 0.000 1.077 239 S CB 1.555 64.787 63.200 0.053 0.000 1.031 239 S HN 0.501 nan 8.310 nan 0.000 0.487 240 L N 5.017 126.279 121.223 0.065 0.000 2.257 240 L HA 0.475 4.815 4.340 -0.000 0.000 0.290 240 L C -0.726 176.166 176.870 0.036 0.000 1.044 240 L CA -0.383 54.480 54.840 0.038 0.000 0.810 240 L CB 0.303 42.392 42.059 0.051 0.000 1.193 240 L HN 0.502 nan 8.230 nan 0.000 0.425 241 I N 5.622 126.193 120.570 0.001 0.000 2.460 241 I HA 0.024 4.194 4.170 -0.000 0.000 0.297 241 I C 1.474 177.603 176.117 0.020 0.000 1.139 241 I CA 0.338 61.654 61.300 0.027 0.000 1.340 241 I CB -0.293 37.712 38.000 0.008 0.000 1.444 241 I HN 0.764 nan 8.210 nan 0.000 0.557 242 T N 2.413 116.979 114.554 0.020 0.000 3.081 242 T HA 0.054 4.404 4.350 -0.000 0.000 0.255 242 T C 0.496 175.177 174.700 -0.031 0.000 1.113 242 T CA 0.000 62.093 62.100 -0.011 0.000 1.082 242 T CB -0.291 68.558 68.868 -0.032 0.000 0.939 242 T HN 0.697 nan 8.240 nan 0.000 0.506 243 N N -1.033 117.656 118.700 -0.019 0.000 2.745 243 N HA 0.347 5.087 4.740 -0.000 0.000 0.256 243 N C -1.798 173.707 175.510 -0.008 0.000 1.268 243 N CA -1.123 51.904 53.050 -0.039 0.000 0.887 243 N CB 1.219 39.641 38.487 -0.108 0.000 1.575 243 N HN -0.258 nan 8.380 nan 0.000 0.496 244 K N 1.934 122.327 120.400 -0.010 0.000 2.264 244 K HA 0.270 4.590 4.320 -0.000 0.000 0.277 244 K C -0.400 176.185 176.600 -0.024 0.000 1.067 244 K CA -0.567 55.724 56.287 0.007 0.000 0.900 244 K CB 0.812 33.321 32.500 0.016 0.000 1.124 244 K HN 0.602 nan 8.250 nan 0.000 0.469 245 V N 2.869 122.769 119.914 -0.024 0.000 2.740 245 V HA 0.245 4.365 4.120 -0.000 0.000 0.303 245 V C 0.657 176.733 176.094 -0.031 0.000 1.054 245 V CA -0.454 61.823 62.300 -0.039 0.000 1.106 245 V CB 0.093 31.899 31.823 -0.028 0.000 0.957 245 V HN 0.504 nan 8.190 nan 0.000 0.486 246 I N 5.620 126.170 120.570 -0.033 0.000 2.396 246 I HA 0.223 4.393 4.170 -0.000 0.000 0.289 246 I C 0.955 177.063 176.117 -0.016 0.000 1.056 246 I CA -0.093 61.193 61.300 -0.023 0.000 1.365 246 I CB 1.236 39.223 38.000 -0.023 0.000 1.407 246 I HN 0.621 nan 8.210 nan 0.000 0.509 247 M N 4.244 123.836 119.600 -0.015 0.000 2.404 247 M HA 0.279 4.759 4.480 -0.000 0.000 0.271 247 M C -0.437 175.858 176.300 -0.009 0.000 1.128 247 M CA 0.344 55.637 55.300 -0.012 0.000 0.982 247 M CB -0.504 32.086 32.600 -0.017 0.000 1.445 247 M HN 0.473 nan 8.290 nan 0.000 0.495 248 D N -0.045 120.350 120.400 -0.008 0.000 2.646 248 D HA 0.258 4.898 4.640 -0.000 0.000 0.245 248 D C 0.508 176.806 176.300 -0.003 0.000 1.099 248 D CA -0.080 53.917 54.000 -0.005 0.000 0.849 248 D CB 2.559 43.356 40.800 -0.006 0.000 1.448 248 D HN -0.035 nan 8.370 nan 0.000 0.489 249 T N 0.595 115.148 114.554 -0.001 0.000 2.962 249 T HA -0.114 4.236 4.350 -0.000 0.000 0.270 249 T C 0.795 175.495 174.700 0.000 0.000 1.088 249 T CA 0.911 63.011 62.100 0.001 0.000 1.127 249 T CB 0.070 68.939 68.868 0.002 0.000 0.883 249 T HN 0.225 nan 8.240 nan 0.000 0.493 250 E N 2.419 122.618 120.200 -0.001 0.000 2.261 250 E HA 0.227 4.577 4.350 -0.000 0.000 0.308 250 E C -0.397 176.202 176.600 -0.003 0.000 1.400 250 E CA -0.186 56.213 56.400 -0.001 0.000 1.542 250 E CB -0.422 29.277 29.700 -0.002 0.000 1.369 250 E HN 0.214 nan 8.360 nan 0.000 0.493 251 S N 1.611 117.309 115.700 -0.002 0.000 2.516 251 S HA -0.055 4.415 4.470 -0.000 0.000 0.282 251 S C 1.263 175.860 174.600 -0.005 0.000 1.286 251 S CA -0.284 57.913 58.200 -0.004 0.000 1.066 251 S CB 0.639 63.837 63.200 -0.003 0.000 0.884 251 S HN 0.500 nan 8.310 nan 0.000 0.491 252 Q N 2.035 121.831 119.800 -0.007 0.000 2.482 252 Q HA 0.316 4.656 4.340 -0.000 0.000 0.209 252 Q C 0.769 176.765 176.000 -0.008 0.000 0.961 252 Q CA 0.288 56.087 55.803 -0.007 0.000 0.945 252 Q CB 0.078 28.811 28.738 -0.007 0.000 1.012 252 Q HN 0.728 nan 8.270 nan 0.000 0.515 253 G N 0.520 109.315 108.800 -0.009 0.000 2.341 253 G HA2 0.301 4.261 3.960 -0.000 0.000 0.299 253 G HA3 0.301 4.261 3.960 -0.000 0.000 0.299 253 G C -1.970 172.923 174.900 -0.012 0.000 1.274 253 G CA -0.608 44.486 45.100 -0.010 0.000 0.853 253 G HN 0.137 nan 8.290 nan 0.000 0.493 254 K N -0.717 119.675 120.400 -0.013 0.000 2.433 254 K HA 0.858 5.178 4.320 -0.000 0.000 0.252 254 K C -0.213 176.361 176.600 -0.044 0.000 1.015 254 K CA -0.186 56.093 56.287 -0.013 0.000 0.860 254 K CB 1.736 34.246 32.500 0.017 0.000 1.359 254 K HN 1.429 nan 8.250 nan 0.000 0.452 255 A N 0.901 123.675 122.820 -0.076 0.000 2.332 255 A HA 0.500 4.820 4.320 -0.000 0.000 0.258 255 A C -0.285 177.256 177.584 -0.072 0.000 1.087 255 A CA 0.052 51.943 52.037 -0.244 0.000 0.802 255 A CB -0.465 18.165 19.000 -0.616 0.000 1.042 255 A HN 1.013 nan 8.150 nan 0.000 0.489 256 N N -1.861 116.767 118.700 -0.120 0.000 3.127 256 N HA 0.185 4.925 4.740 -0.000 0.000 0.239 256 N C -0.865 174.782 175.510 0.229 0.000 1.407 256 N CA -0.622 52.562 53.050 0.223 0.000 0.891 256 N CB 0.410 38.974 38.487 0.128 0.000 1.447 256 N HN 0.405 nan 8.380 nan 0.000 0.507 257 H N -0.667 118.543 119.070 0.234 0.000 2.682 257 H HA 0.158 4.714 4.556 -0.000 0.000 0.293 257 H C 0.573 175.947 175.328 0.076 0.000 1.080 257 H CA 0.196 56.348 56.048 0.174 0.000 1.189 257 H CB 0.056 29.912 29.762 0.156 0.000 1.311 257 H HN 0.647 nan 8.280 nan 0.000 0.599 258 E N 1.050 121.282 120.200 0.054 0.000 2.472 258 E HA -0.171 4.179 4.350 -0.000 0.000 0.200 258 E C 1.712 178.292 176.600 -0.033 0.000 1.046 258 E CA 0.802 57.210 56.400 0.014 0.000 0.871 258 E CB -0.066 29.636 29.700 0.004 0.000 0.806 258 E HN 0.803 nan 8.360 nan 0.000 0.533 259 E N -0.050 120.089 120.200 -0.102 0.000 2.333 259 E HA -0.213 4.137 4.350 -0.000 0.000 0.200 259 E C 1.825 178.379 176.600 -0.076 0.000 1.010 259 E CA 1.441 57.767 56.400 -0.123 0.000 0.841 259 E CB -0.608 28.959 29.700 -0.221 0.000 0.757 259 E HN 0.326 nan 8.360 nan 0.000 0.508 260 V N -0.650 119.234 119.914 -0.050 0.000 2.392 260 V HA -0.243 3.877 4.120 -0.000 0.000 0.249 260 V C 2.271 178.373 176.094 0.012 0.000 1.059 260 V CA 1.542 63.844 62.300 0.003 0.000 1.051 260 V CB -0.738 31.103 31.823 0.030 0.000 0.658 260 V HN 0.213 nan 8.190 nan 0.000 0.455 261 L N 0.492 121.717 121.223 0.004 0.000 2.121 261 L HA 0.322 4.662 4.340 -0.000 0.000 0.200 261 L C 1.363 178.234 176.870 0.002 0.000 1.077 261 L CA 1.196 56.041 54.840 0.007 0.000 0.766 261 L CB -0.517 41.545 42.059 0.006 0.000 0.931 261 L HN 0.470 nan 8.230 nan 0.000 0.452 262 E N -0.331 119.863 120.200 -0.010 0.000 2.406 262 E HA 0.326 4.675 4.350 -0.000 0.000 0.258 262 E C 0.898 177.492 176.600 -0.010 0.000 1.043 262 E CA 0.873 57.265 56.400 -0.012 0.000 0.929 262 E CB 0.277 29.963 29.700 -0.024 0.000 0.969 262 E HN 0.497 nan 8.360 nan 0.000 0.462 263 A N 3.321 126.141 122.820 0.000 0.000 2.079 263 A HA -0.303 4.017 4.320 -0.000 0.000 0.230 263 A C 1.957 179.552 177.584 0.018 0.000 0.537 263 A CA 1.736 53.777 52.037 0.008 0.000 1.134 263 A CB -2.493 16.509 19.000 0.004 0.000 1.423 263 A HN 0.970 nan 8.150 nan 0.000 0.706 264 G N -1.490 107.322 108.800 0.020 0.000 2.516 264 G HA2 -0.059 3.901 3.960 -0.000 0.000 0.221 264 G HA3 -0.059 3.901 3.960 -0.000 0.000 0.221 264 G C 1.289 176.213 174.900 0.040 0.000 1.107 264 G CA 2.036 47.160 45.100 0.040 0.000 0.747 264 G HN 0.677 nan 8.290 nan 0.000 0.567 265 K N -0.300 120.116 120.400 0.026 0.000 2.266 265 K HA 0.151 4.471 4.320 -0.000 0.000 0.209 265 K C 2.719 179.329 176.600 0.017 0.000 1.065 265 K CA 0.992 57.292 56.287 0.023 0.000 0.946 265 K CB -0.280 32.231 32.500 0.017 0.000 1.069 265 K HN 0.356 nan 8.250 nan 0.000 0.472 266 Q N 0.166 119.974 119.800 0.012 0.000 1.994 266 Q HA 0.098 4.438 4.340 -0.000 0.000 0.198 266 Q C 1.952 177.958 176.000 0.010 0.000 0.976 266 Q CA 1.730 57.538 55.803 0.008 0.000 0.828 266 Q CB -0.700 28.040 28.738 0.004 0.000 0.894 266 Q HN 0.191 nan 8.270 nan 0.000 0.432 267 A N 0.853 123.682 122.820 0.015 0.000 2.066 267 A HA 0.246 4.566 4.320 -0.000 0.000 0.218 267 A C 2.290 179.892 177.584 0.030 0.000 1.157 267 A CA 1.092 53.143 52.037 0.023 0.000 0.670 267 A CB -0.828 18.185 19.000 0.022 0.000 0.804 267 A HN 0.433 nan 8.150 nan 0.000 0.453 268 A N -0.792 122.046 122.820 0.030 0.000 1.930 268 A HA -0.195 4.125 4.320 -0.000 0.000 0.217 268 A C 2.170 179.772 177.584 0.029 0.000 1.175 268 A CA 1.668 53.727 52.037 0.035 0.000 0.627 268 A CB -0.477 18.547 19.000 0.041 0.000 0.815 268 A HN 0.506 nan 8.150 nan 0.000 0.443 269 Q N 0.411 120.223 119.800 0.020 0.000 2.030 269 Q HA -0.229 4.111 4.340 -0.000 0.000 0.204 269 Q C 1.910 177.917 176.000 0.011 0.000 0.986 269 Q CA 2.256 58.065 55.803 0.011 0.000 0.843 269 Q CB -0.265 28.474 28.738 0.001 0.000 0.904 269 Q HN 0.728 nan 8.270 nan 0.000 0.420 270 K N 0.126 120.530 120.400 0.006 0.000 2.097 270 K HA -0.153 4.167 4.320 -0.000 0.000 0.206 270 K C 2.176 178.813 176.600 0.062 0.000 1.049 270 K CA 1.007 57.292 56.287 -0.004 0.000 0.933 270 K CB -0.228 32.253 32.500 -0.032 0.000 0.717 270 K HN 0.112 nan 8.250 nan 0.000 0.442 271 L N 2.113 123.383 121.223 0.078 0.000 2.079 271 L HA -0.182 4.158 4.340 -0.000 0.000 0.210 271 L C 1.775 178.701 176.870 0.093 0.000 1.081 271 L CA 1.790 56.696 54.840 0.110 0.000 0.752 271 L CB -0.278 41.821 42.059 0.066 0.000 0.896 271 L HN 0.159 nan 8.230 nan 0.000 0.433 272 E N -1.178 119.055 120.200 0.054 0.000 2.028 272 E HA -0.213 4.137 4.350 -0.000 0.000 0.191 272 E C 2.080 178.705 176.600 0.041 0.000 0.988 272 E CA 1.148 57.566 56.400 0.030 0.000 0.799 272 E CB -0.158 29.550 29.700 0.014 0.000 0.755 272 E HN 0.530 nan 8.360 nan 0.000 0.447 273 Q N 0.137 119.967 119.800 0.050 0.000 2.152 273 Q HA -0.192 4.148 4.340 -0.000 0.000 0.206 273 Q C 2.072 178.141 176.000 0.115 0.000 0.985 273 Q CA 1.056 56.889 55.803 0.050 0.000 0.863 273 Q CB -0.493 28.256 28.738 0.019 0.000 0.904 273 Q HN 0.258 nan 8.270 nan 0.000 0.422 274 F N 1.058 120.975 119.950 -0.055 0.000 2.075 274 F HA -0.171 4.356 4.527 -0.000 0.000 0.297 274 F C 2.343 178.106 175.800 -0.063 0.000 1.113 274 F CA 1.114 59.079 58.000 -0.057 0.000 1.218 274 F CB -0.808 38.149 39.000 -0.072 0.000 0.984 274 F HN -0.063 nan 8.300 nan 0.000 0.472 275 V N -0.646 119.187 119.914 -0.136 0.000 2.490 275 V HA -0.227 3.893 4.120 -0.000 0.000 0.250 275 V C 2.317 178.366 176.094 -0.075 0.000 1.061 275 V CA 2.440 64.637 62.300 -0.172 0.000 1.064 275 V CB -0.594 31.180 31.823 -0.082 0.000 0.670 275 V HN 0.422 nan 8.190 nan 0.000 0.461 276 S N 0.194 115.877 115.700 -0.030 0.000 2.368 276 S HA -0.075 4.395 4.470 -0.000 0.000 0.225 276 S C 1.776 176.373 174.600 -0.005 0.000 1.030 276 S CA 1.817 60.010 58.200 -0.011 0.000 0.999 276 S CB -0.333 62.868 63.200 0.002 0.000 0.844 276 S HN 0.594 nan 8.310 nan 0.000 0.459 277 L N 0.957 122.182 121.223 0.003 0.000 2.056 277 L HA -0.046 4.294 4.340 -0.000 0.000 0.207 277 L C 2.164 179.030 176.870 -0.006 0.000 1.078 277 L CA 0.988 55.839 54.840 0.019 0.000 0.749 277 L CB -0.562 41.538 42.059 0.069 0.000 0.901 277 L HN 0.290 nan 8.230 nan 0.000 0.433 278 L N -0.954 120.228 121.223 -0.068 0.000 2.265 278 L HA -0.219 4.121 4.340 -0.000 0.000 0.215 278 L C 2.671 179.544 176.870 0.005 0.000 1.117 278 L CA 0.619 55.422 54.840 -0.061 0.000 0.782 278 L CB -0.348 41.644 42.059 -0.112 0.000 0.914 278 L HN 0.339 nan 8.230 nan 0.000 0.441 279 M N -0.620 118.983 119.600 0.005 0.000 2.267 279 M HA -0.189 4.291 4.480 -0.000 0.000 0.263 279 M C 2.348 178.632 176.300 -0.027 0.000 1.063 279 M CA 1.738 57.033 55.300 -0.008 0.000 1.090 279 M CB -1.140 31.448 32.600 -0.020 0.000 1.392 279 M HN 0.306 nan 8.290 nan 0.000 0.422 280 A N -1.372 121.460 122.820 0.020 0.000 2.169 280 A HA 0.050 4.370 4.320 -0.000 0.000 0.212 280 A C 2.249 179.895 177.584 0.103 0.000 1.153 280 A CA 1.081 53.172 52.037 0.089 0.000 0.756 280 A CB -0.280 18.779 19.000 0.098 0.000 0.813 280 A HN 0.443 nan 8.150 nan 0.000 0.471 281 S N -0.449 115.277 115.700 0.043 0.000 2.503 281 S HA 0.279 4.749 4.470 -0.000 0.000 0.215 281 S C 0.573 175.184 174.600 0.020 0.000 1.003 281 S CA -0.362 57.859 58.200 0.035 0.000 0.910 281 S CB -0.122 63.075 63.200 -0.005 0.000 0.790 281 S HN 0.493 nan 8.310 nan 0.000 0.514 282 I N 4.742 125.315 120.570 0.004 0.000 2.598 282 I HA 0.093 4.263 4.170 -0.000 0.000 0.284 282 I C -2.031 174.089 176.117 0.006 0.000 1.140 282 I CA -1.829 59.477 61.300 0.011 0.000 1.420 282 I CB 0.419 38.437 38.000 0.031 0.000 1.387 282 I HN 0.017 nan 8.210 nan 0.000 0.553 283 P HA 0.014 nan 4.420 nan 0.000 0.268 283 P C -0.059 177.276 177.300 0.058 0.000 1.205 283 P CA 0.174 63.310 63.100 0.060 0.000 0.771 283 P CB 1.232 32.959 31.700 0.045 0.000 0.858 284 V N 1.860 121.845 119.914 0.119 0.000 3.765 284 V HA -0.289 3.831 4.120 -0.000 0.000 0.536 284 V C 0.550 176.699 176.094 0.092 0.000 0.682 284 V CA 1.739 64.113 62.300 0.124 0.000 2.098 284 V CB -1.028 30.836 31.823 0.069 0.000 2.497 284 V HN 1.217 nan 8.190 nan 0.000 0.519 285 S N 2.067 117.842 115.700 0.126 0.000 3.381 285 S HA 0.111 4.581 4.470 -0.000 0.000 0.636 285 S C 1.744 176.381 174.600 0.062 0.000 2.614 285 S CA 1.213 59.467 58.200 0.090 0.000 2.810 285 S CB -1.429 61.792 63.200 0.036 0.000 0.331 285 S HN 2.994 nan 8.310 nan 0.000 1.788 286 G N 1.394 110.209 108.800 0.025 0.000 4.430 286 G HA2 -0.396 3.564 3.960 -0.000 0.000 0.332 286 G HA3 -0.396 3.564 3.960 -0.000 0.000 0.332 286 G C 0.120 175.070 174.900 0.084 0.000 1.338 286 G CA 1.931 47.021 45.100 -0.017 0.000 1.024 286 G HN 2.113 nan 8.290 nan 0.000 0.750 287 H N 0.332 119.409 119.070 0.012 0.000 2.211 287 H HA 0.583 5.139 4.556 -0.000 0.000 0.327 287 H C 1.114 176.448 175.328 0.009 0.000 1.722 287 H CA 0.430 56.484 56.048 0.010 0.000 1.437 287 H CB -0.979 28.789 29.762 0.010 0.000 1.716 287 H HN 0.345 nan 8.280 nan 0.000 0.618 288 T N -0.074 114.514 114.554 0.056 0.000 3.624 288 T HA 0.465 4.815 4.350 -0.000 0.000 0.231 288 T C 0.522 175.128 174.700 -0.157 0.000 0.865 288 T CA 0.250 62.329 62.100 -0.035 0.000 0.926 288 T CB -1.223 67.619 68.868 -0.043 0.000 1.189 288 T HN 0.878 nan 8.240 nan 0.000 0.640 289 G N 0.000 108.708 108.800 -0.154 0.000 5.446 289 G HA2 0.000 3.960 3.960 -0.000 0.000 0.244 289 G HA3 0.000 3.960 3.960 -0.000 0.000 0.244 289 G CA 0.000 44.993 45.100 -0.179 0.000 0.502 289 G HN 0.000 nan 8.290 nan 0.000 0.925