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 1aqh_1_A DATA FIRST_RESID 1 DATA SEQUENCE TPTTFVHLFE WNWQDVAQEc EQYLGPKGYA AVQVSPPNEH ITGSQWWTRY DATA SEQUENCE QPVSYELQSR GGNRAQFIDM VNRcSAAGVD IYVDTLINHM AAGSGTGTAG DATA SEQUENCE NSFGNKSFPI YSPQDFHESc TINNSDYGND RYRVQNcELV GLADLDTASN DATA SEQUENCE YVQNTIAAYI NDLQAIGVKG FRFDASKHVA ASDIQSLMAK VNGSPVVFQE DATA SEQUENCE VIDQGGEAVG ASEYLSTGLV TEFKYSTELG NTFRNGSLAW LSNFGEGWGF DATA SEQUENCE MPSSSAVVFV DNHDNQRGHG GAGNVITFED GRLYDLANVF MLAYPYGYPK DATA SEQUENCE VMSSYDFHGD TDAGGPNVPV HNNGNLEcFA SNWKcEHRWS YIAGGVDFRN DATA SEQUENCE NTADNWAVTN WWDNTNNQIS FGRGSSGHMA INKEDSTLTA TVQTDMASGQ DATA SEQUENCE YcNVLKGELS ADAKScSGEV ITVNSDGTIN LNIGAWDAMA IHKNAKLN 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 T HA 0.000 nan 4.350 nan 0.000 0.228 1 T C 0.000 174.689 174.700 -0.018 0.000 1.109 1 T CA 0.000 62.079 62.100 -0.035 0.000 1.349 1 T CB 0.000 68.852 68.868 -0.026 0.000 0.612 2 P HA 0.105 nan 4.420 nan 0.000 0.271 2 P C -1.056 176.287 177.300 0.072 0.000 1.226 2 P CA -0.275 62.844 63.100 0.033 0.000 0.765 2 P CB 0.459 32.179 31.700 0.033 0.000 0.835 3 T N -2.104 112.524 114.554 0.124 0.000 3.046 3 T HA 0.124 nan 4.350 nan 0.000 0.270 3 T C -0.874 174.061 174.700 0.392 0.000 0.920 3 T CA 0.133 62.363 62.100 0.217 0.000 0.874 3 T CB 1.688 70.685 68.868 0.215 0.000 1.214 3 T HN 0.174 8.563 8.240 0.091 -0.095 0.536 4 T N 5.106 119.844 114.554 0.307 0.000 2.886 4 T HA 0.750 nan 4.350 nan 0.000 0.292 4 T C -2.176 172.721 174.700 0.329 0.000 1.012 4 T CA -0.479 61.783 62.100 0.270 0.000 0.982 4 T CB 2.736 71.624 68.868 0.034 0.000 1.018 4 T HN -0.613 7.743 8.240 0.194 0.000 0.451 5 F N 2.266 122.207 119.950 -0.015 0.000 2.631 5 F HA 1.101 nan 4.527 nan 0.000 0.350 5 F C -2.543 173.275 175.800 0.029 0.000 1.080 5 F CA -3.145 54.841 58.000 -0.024 0.000 1.026 5 F CB 1.922 40.797 39.000 -0.208 0.000 1.347 5 F HN 0.352 8.719 8.300 0.111 0.000 0.501 6 V N -2.711 117.165 119.914 -0.064 0.000 2.925 6 V HA 0.593 nan 4.120 nan 0.000 0.311 6 V C -2.701 173.296 176.094 -0.162 0.000 1.104 6 V CA -2.248 59.919 62.300 -0.222 0.000 0.954 6 V CB 4.056 35.650 31.823 -0.382 0.000 1.022 6 V HN 0.145 8.392 8.190 0.094 0.000 0.427 7 H N 8.091 126.994 119.070 -0.278 0.000 2.685 7 H HA 0.501 nan 4.556 nan 0.000 0.286 7 H C -0.581 174.617 175.328 -0.218 0.000 1.102 7 H CA -2.582 53.373 56.048 -0.154 0.000 1.254 7 H CB -0.163 29.534 29.762 -0.108 0.000 1.397 7 H HN 0.420 8.623 8.280 -0.127 0.000 0.473 8 L N 9.205 130.299 121.223 -0.214 0.000 2.423 8 L HA -0.004 nan 4.340 nan 0.000 0.249 8 L C -1.178 175.561 176.870 -0.218 0.000 1.276 8 L CA -1.700 52.740 54.840 -0.666 0.000 1.199 8 L CB -1.273 40.209 42.059 -0.961 0.000 1.407 8 L HN -0.203 8.007 8.230 -0.034 0.000 0.410 9 F N 4.598 124.293 119.950 -0.425 0.000 2.571 9 F HA -0.454 nan 4.527 nan 0.000 0.390 9 F C -0.360 175.652 175.800 0.354 0.000 1.043 9 F CA 1.183 59.024 58.000 -0.264 0.000 1.164 9 F CB -0.154 38.569 39.000 -0.462 0.000 1.049 9 F HN -0.276 7.813 8.300 -0.271 0.049 0.552 10 E N 1.266 121.404 120.200 -0.103 0.000 3.286 10 E HA -0.512 nan 4.350 nan 0.000 0.292 10 E C -0.813 175.926 176.600 0.231 0.000 0.928 10 E CA 1.729 58.112 56.400 -0.028 0.000 0.982 10 E CB -1.552 28.019 29.700 -0.215 0.000 1.500 10 E HN 0.224 8.577 8.360 -0.012 0.000 0.441 11 W N -0.986 120.271 121.300 -0.073 0.000 2.287 11 W HA -0.087 nan 4.660 nan 0.000 0.313 11 W C -0.371 176.019 176.519 -0.215 0.000 1.267 11 W CA -0.448 56.751 57.345 -0.242 0.000 1.201 11 W CB 0.127 29.443 29.460 -0.239 0.000 1.196 11 W HN -0.664 7.735 8.180 0.443 0.047 0.536 12 N N 0.870 119.479 118.700 -0.151 0.000 2.399 12 N HA -0.068 nan 4.740 nan 0.000 0.250 12 N C 0.753 176.248 175.510 -0.026 0.000 1.272 12 N CA -0.794 52.055 53.050 -0.335 0.000 0.928 12 N CB 0.606 38.912 38.487 -0.301 0.000 1.158 12 N HN 0.099 8.328 8.380 -0.252 0.000 0.463 13 W N -1.416 119.936 121.300 0.088 0.000 2.392 13 W HA -0.376 nan 4.660 nan 0.000 0.279 13 W C 2.427 178.960 176.519 0.024 0.000 1.225 13 W CA 1.950 59.332 57.345 0.062 0.000 1.233 13 W CB -0.203 29.306 29.460 0.082 0.000 1.122 13 W HN 0.356 8.140 8.180 -0.660 0.000 0.561 14 Q N -1.188 118.718 119.800 0.178 0.000 2.083 14 Q HA -0.321 nan 4.340 nan 0.000 0.198 14 Q C 2.393 178.438 176.000 0.074 0.000 0.969 14 Q CA 3.285 59.145 55.803 0.094 0.000 0.838 14 Q CB -0.308 28.454 28.738 0.041 0.000 0.900 14 Q HN -0.461 7.974 8.270 0.102 -0.104 0.436 15 D N 0.528 120.970 120.400 0.070 0.000 2.144 15 D HA -0.180 nan 4.640 nan 0.000 0.200 15 D C 2.546 179.022 176.300 0.293 0.000 0.978 15 D CA 3.545 57.621 54.000 0.127 0.000 0.833 15 D CB -0.069 40.632 40.800 -0.165 0.000 0.961 15 D HN -0.020 8.732 8.370 0.026 -0.366 0.470 16 V N -0.070 120.021 119.914 0.295 0.000 2.358 16 V HA -0.331 nan 4.120 nan 0.000 0.246 16 V C 1.765 177.927 176.094 0.114 0.000 1.047 16 V CA 4.176 66.621 62.300 0.241 0.000 1.035 16 V CB -0.828 31.131 31.823 0.225 0.000 0.658 16 V HN -0.304 8.049 8.190 0.272 0.000 0.452 17 A N -1.369 121.501 122.820 0.084 0.000 1.865 17 A HA -0.453 nan 4.320 nan 0.000 0.217 17 A C 2.129 179.708 177.584 -0.008 0.000 1.191 17 A CA 3.469 55.515 52.037 0.015 0.000 0.623 17 A CB -0.819 18.188 19.000 0.011 0.000 0.826 17 A HN -0.208 8.017 8.150 0.126 0.000 0.444 18 Q N -1.977 117.797 119.800 -0.044 0.000 2.084 18 Q HA -0.400 nan 4.340 nan 0.000 0.202 18 Q C 2.426 178.374 176.000 -0.086 0.000 0.978 18 Q CA 3.116 58.815 55.803 -0.173 0.000 0.844 18 Q CB -0.029 28.415 28.738 -0.491 0.000 0.898 18 Q HN -0.360 7.899 8.270 -0.019 0.000 0.426 19 E N 0.140 120.402 120.200 0.102 0.000 2.110 19 E HA -0.258 nan 4.350 nan 0.000 0.193 19 E C 2.213 178.907 176.600 0.156 0.000 0.988 19 E CA 2.834 59.396 56.400 0.269 0.000 0.804 19 E CB -0.372 29.558 29.700 0.383 0.000 0.745 19 E HN -0.232 8.145 8.360 0.143 0.069 0.458 20 c N -0.510 118.130 118.600 0.066 0.000 2.429 20 c HA -0.287 nan 4.570 nan 0.000 0.277 20 c C 2.373 176.490 174.090 0.045 0.000 1.262 20 c CA 4.341 60.689 56.329 0.032 0.000 1.733 20 c CB -1.560 40.943 42.510 -0.013 0.000 2.010 20 c HN 0.007 8.256 8.230 0.052 0.013 0.483 21 E N -0.610 119.607 120.200 0.029 0.000 2.028 21 E HA -0.286 nan 4.350 nan 0.000 0.190 21 E C 2.315 178.946 176.600 0.052 0.000 0.984 21 E CA 2.761 59.174 56.400 0.022 0.000 0.800 21 E CB -0.021 29.676 29.700 -0.006 0.000 0.758 21 E HN -0.547 7.743 8.360 0.015 0.079 0.448 22 Q N -3.548 116.301 119.800 0.082 0.000 2.187 22 Q HA -0.172 nan 4.340 nan 0.000 0.199 22 Q C 0.888 177.028 176.000 0.233 0.000 0.957 22 Q CA 2.493 58.379 55.803 0.138 0.000 0.857 22 Q CB 1.080 29.905 28.738 0.145 0.000 0.929 22 Q HN -0.170 8.137 8.270 0.061 0.000 0.453 23 Y N -1.953 118.419 120.300 0.119 0.000 3.011 23 Y HA 0.018 nan 4.550 nan 0.000 0.231 23 Y C 0.132 176.128 175.900 0.161 0.000 0.983 23 Y CA 1.990 60.182 58.100 0.154 0.000 1.429 23 Y CB 2.525 41.106 38.460 0.201 0.000 1.491 23 Y HN -0.459 7.991 8.280 0.283 0.000 0.444 24 L N -0.777 120.604 121.223 0.263 0.000 2.013 24 L HA -0.535 nan 4.340 nan 0.000 0.212 24 L C 2.263 179.216 176.870 0.138 0.000 1.073 24 L CA 3.578 58.529 54.840 0.185 0.000 0.753 24 L CB -0.450 41.638 42.059 0.047 0.000 0.890 24 L HN -0.001 8.422 8.230 0.323 0.000 0.432 25 G N -2.425 106.417 108.800 0.070 0.000 2.434 25 G HA2 -0.102 nan 3.960 nan 0.000 0.214 25 G HA3 -0.102 nan 3.960 nan 0.000 0.214 25 G C -0.955 173.951 174.900 0.011 0.000 1.202 25 G CA 2.497 47.619 45.100 0.038 0.000 0.788 25 G HN -0.201 8.131 8.290 0.070 0.000 0.539 26 P HA -0.119 nan 4.420 nan 0.000 0.218 26 P C 0.601 177.856 177.300 -0.076 0.000 1.148 26 P CA 1.815 64.890 63.100 -0.042 0.000 0.822 26 P CB -0.097 31.576 31.700 -0.045 0.000 0.784 27 K N -6.146 114.181 120.400 -0.123 0.000 2.426 27 K HA 0.116 nan 4.320 nan 0.000 0.193 27 K C 0.770 177.345 176.600 -0.042 0.000 1.028 27 K CA -0.613 55.600 56.287 -0.124 0.000 1.047 27 K CB 0.105 32.439 32.500 -0.275 0.000 0.821 27 K HN -0.183 7.966 8.250 -0.125 0.026 0.513 28 G N -2.229 106.573 108.800 0.003 0.000 2.157 28 G HA2 -0.339 nan 3.960 nan 0.000 0.248 28 G HA3 -0.339 nan 3.960 nan 0.000 0.248 28 G C -0.180 174.718 174.900 -0.004 0.000 0.979 28 G CA 0.107 45.197 45.100 -0.017 0.000 0.650 28 G HN -0.559 7.570 8.290 0.020 0.173 0.529 29 Y N -0.204 120.107 120.300 0.019 0.000 2.610 29 Y HA -0.333 nan 4.550 nan 0.000 0.332 29 Y C -0.039 175.877 175.900 0.027 0.000 1.201 29 Y CA 1.004 59.129 58.100 0.042 0.000 1.465 29 Y CB 0.232 38.716 38.460 0.041 0.000 1.283 29 Y HN -0.634 7.849 8.280 0.339 0.000 0.563 30 A N 3.993 126.929 122.820 0.193 0.000 1.970 30 A HA -0.084 nan 4.320 nan 0.000 0.216 30 A C -1.898 175.695 177.584 0.014 0.000 1.170 30 A CA 1.644 53.752 52.037 0.118 0.000 0.645 30 A CB 0.918 20.028 19.000 0.183 0.000 0.816 30 A HN 1.057 9.341 8.150 0.224 0.000 0.447 31 A N -6.778 116.037 122.820 -0.009 0.000 2.540 31 A HA 0.571 nan 4.320 nan 0.000 0.291 31 A C -2.555 174.920 177.584 -0.182 0.000 1.083 31 A CA -0.269 51.602 52.037 -0.277 0.000 0.650 31 A CB 2.264 20.720 19.000 -0.907 0.000 1.292 31 A HN -0.755 7.482 8.150 0.144 0.000 0.435 32 V N -1.594 118.152 119.914 -0.280 0.000 2.531 32 V HA 0.503 nan 4.120 nan 0.000 0.301 32 V C -1.833 174.230 176.094 -0.052 0.000 1.034 32 V CA -1.026 61.187 62.300 -0.144 0.000 0.865 32 V CB 2.997 34.723 31.823 -0.162 0.000 0.995 32 V HN 0.315 8.262 8.190 -0.405 0.000 0.424 33 Q N 7.451 127.340 119.800 0.149 0.000 2.314 33 Q HA 0.596 nan 4.340 nan 0.000 0.257 33 Q C -1.105 175.056 176.000 0.269 0.000 0.975 33 Q CA -0.671 55.298 55.803 0.276 0.000 0.933 33 Q CB 1.489 30.435 28.738 0.347 0.000 1.195 33 Q HN 0.638 9.005 8.270 0.162 0.000 0.426 34 V N 1.593 121.657 119.914 0.249 0.000 2.973 34 V HA 0.561 nan 4.120 nan 0.000 0.314 34 V C -1.075 175.269 176.094 0.416 0.000 1.066 34 V CA -2.989 59.520 62.300 0.347 0.000 1.021 34 V CB 1.412 33.411 31.823 0.295 0.000 1.076 34 V HN 0.183 8.496 8.190 0.204 0.000 0.462 35 S N 1.308 117.313 115.700 0.508 0.000 2.593 35 S HA 0.228 nan 4.470 nan 0.000 0.269 35 S C -1.859 172.967 174.600 0.376 0.000 1.334 35 S CA -1.016 57.429 58.200 0.408 0.000 1.015 35 S CB -0.465 62.918 63.200 0.306 0.000 0.912 35 S HN 0.267 8.921 8.310 0.573 0.000 0.541 36 P HA 0.015 nan 4.420 nan 0.000 0.255 36 P C -1.267 176.205 177.300 0.287 0.000 1.161 36 P CA -0.516 62.668 63.100 0.139 0.000 0.768 36 P CB -0.293 31.355 31.700 -0.086 0.000 0.746 37 P HA -0.058 nan 4.420 nan 0.000 0.255 37 P C -1.143 176.271 177.300 0.189 0.000 1.248 37 P CA 0.513 63.787 63.100 0.290 0.000 0.807 37 P CB 0.376 31.897 31.700 -0.297 0.000 1.150 38 N N -0.471 118.341 118.700 0.187 0.000 2.413 38 N HA -0.128 nan 4.740 nan 0.000 0.266 38 N C -0.987 174.624 175.510 0.169 0.000 1.238 38 N CA -1.230 51.902 53.050 0.137 0.000 0.972 38 N CB 0.813 39.332 38.487 0.053 0.000 1.210 38 N HN -0.500 7.940 8.380 0.197 0.058 0.547 39 E N -0.909 119.336 120.200 0.075 0.000 2.376 39 E HA -0.106 nan 4.350 nan 0.000 0.266 39 E C -0.782 175.845 176.600 0.045 0.000 1.009 39 E CA 0.604 57.005 56.400 0.000 0.000 0.902 39 E CB 0.966 30.650 29.700 -0.026 0.000 0.972 39 E HN -0.225 8.164 8.360 0.049 0.000 0.439 40 H N 1.256 120.341 119.070 0.025 0.000 2.941 40 H HA 0.810 nan 4.556 nan 0.000 0.344 40 H C -0.555 174.801 175.328 0.047 0.000 1.235 40 H CA -2.621 53.437 56.048 0.018 0.000 1.149 40 H CB 2.926 32.705 29.762 0.029 0.000 1.885 40 H HN -0.098 7.887 8.280 -0.492 0.000 0.558 41 I N -4.845 115.865 120.570 0.233 0.000 2.836 41 I HA 0.094 nan 4.170 nan 0.000 0.285 41 I C 0.304 176.550 176.117 0.215 0.000 1.174 41 I CA 0.099 61.541 61.300 0.237 0.000 1.405 41 I CB 0.348 38.531 38.000 0.304 0.000 1.385 41 I HN -0.479 7.887 8.210 0.259 0.000 0.594 42 T N 0.458 115.100 114.554 0.146 0.000 2.813 42 T HA 0.103 nan 4.350 nan 0.000 0.297 42 T C 0.075 174.821 174.700 0.076 0.000 1.036 42 T CA -0.264 61.887 62.100 0.084 0.000 1.044 42 T CB 0.538 69.437 68.868 0.052 0.000 0.993 42 T HN 0.002 8.347 8.240 0.175 0.000 0.535 43 G N 0.209 109.024 108.800 0.026 0.000 2.402 43 G HA2 -0.166 nan 3.960 nan 0.000 0.666 43 G HA3 -0.166 nan 3.960 nan 0.000 0.666 43 G C -0.700 174.148 174.900 -0.087 0.000 1.402 43 G CA -0.464 44.614 45.100 -0.036 0.000 0.920 43 G HN -0.043 8.261 8.290 0.023 0.000 0.651 44 S N -1.177 114.447 115.700 -0.126 0.000 2.528 44 S HA -0.027 nan 4.470 nan 0.000 0.219 44 S C 0.185 174.652 174.600 -0.221 0.000 0.985 44 S CA 1.003 59.121 58.200 -0.136 0.000 0.914 44 S CB 0.537 63.680 63.200 -0.095 0.000 0.776 44 S HN 0.183 8.423 8.310 -0.116 0.000 0.526 45 Q N 0.141 119.685 119.800 -0.427 0.000 2.395 45 Q HA -0.074 nan 4.340 nan 0.000 0.271 45 Q C 1.313 176.971 176.000 -0.571 0.000 1.026 45 Q CA 0.835 56.212 55.803 -0.710 0.000 0.900 45 Q CB 0.179 27.894 28.738 -1.706 0.000 1.266 45 Q HN -0.464 7.538 8.270 -0.447 0.000 0.430 46 W N 1.448 122.557 121.300 -0.318 0.000 2.388 46 W HA -0.139 nan 4.660 nan 0.000 0.294 46 W C 1.276 177.860 176.519 0.109 0.000 1.212 46 W CA 1.959 59.283 57.345 -0.036 0.000 1.271 46 W CB -0.547 29.076 29.460 0.272 0.000 1.126 46 W HN -0.052 8.057 8.180 -0.119 0.000 0.535 47 W N -2.716 118.101 121.300 -0.806 0.000 2.961 47 W HA -0.061 nan 4.660 nan 0.000 0.240 47 W C 1.036 177.454 176.519 -0.168 0.000 1.305 47 W CA -0.521 56.395 57.345 -0.716 0.000 1.465 47 W CB -1.169 27.521 29.460 -1.284 0.000 1.135 47 W HN -0.073 6.898 8.180 -1.988 0.016 0.688 48 T N -0.890 113.612 114.554 -0.087 0.000 2.915 48 T HA -0.236 nan 4.350 nan 0.000 0.269 48 T C 2.097 176.789 174.700 -0.014 0.000 1.071 48 T CA 2.856 64.990 62.100 0.057 0.000 1.132 48 T CB -0.505 68.343 68.868 -0.033 0.000 0.878 48 T HN -0.457 7.463 8.240 -0.425 0.066 0.479 49 R N 0.709 121.089 120.500 -0.199 0.000 2.193 49 R HA -0.240 nan 4.340 nan 0.000 0.229 49 R C 1.018 177.122 176.300 -0.327 0.000 1.110 49 R CA 1.379 57.206 56.100 -0.454 0.000 0.988 49 R CB -0.619 29.447 30.300 -0.390 0.000 0.871 49 R HN -0.530 7.649 8.270 -0.103 0.029 0.458 50 Y N -4.375 116.025 120.300 0.167 0.000 2.532 50 Y HA -0.004 nan 4.550 nan 0.000 0.283 50 Y C -1.010 175.041 175.900 0.252 0.000 1.181 50 Y CA -0.186 58.058 58.100 0.241 0.000 1.256 50 Y CB -0.166 38.463 38.460 0.281 0.000 1.112 50 Y HN -0.795 7.487 8.280 0.287 0.170 0.521 51 Q N -0.669 119.284 119.800 0.254 0.000 2.771 51 Q HA 0.428 nan 4.340 nan 0.000 0.247 51 Q C -2.920 173.146 176.000 0.110 0.000 0.986 51 Q CA -3.163 52.763 55.803 0.205 0.000 0.713 51 Q CB 1.326 30.185 28.738 0.202 0.000 1.241 51 Q HN -0.622 7.674 8.270 0.185 0.084 0.488 52 P HA 0.069 nan 4.420 nan 0.000 0.272 52 P C -1.301 175.902 177.300 -0.162 0.000 1.223 52 P CA 0.252 63.341 63.100 -0.019 0.000 0.784 52 P CB 0.665 32.356 31.700 -0.015 0.000 0.923 53 V N -2.121 117.714 119.914 -0.132 0.000 3.250 53 V HA 0.269 nan 4.120 nan 0.000 0.240 53 V C -0.944 175.104 176.094 -0.077 0.000 1.275 53 V CA 0.384 62.625 62.300 -0.098 0.000 1.206 53 V CB 1.800 33.585 31.823 -0.062 0.000 0.976 53 V HN 0.240 8.390 8.190 -0.068 0.000 0.467 54 S N -1.924 113.672 115.700 -0.173 0.000 2.703 54 S HA 0.254 nan 4.470 nan 0.000 0.273 54 S C -1.783 172.639 174.600 -0.297 0.000 1.178 54 S CA -0.680 57.331 58.200 -0.314 0.000 0.838 54 S CB 1.760 64.871 63.200 -0.149 0.000 1.178 54 S HN -0.773 7.466 8.310 -0.117 0.000 0.494 55 Y N -2.760 117.394 120.300 -0.243 0.000 2.607 55 Y HA 0.188 nan 4.550 nan 0.000 0.266 55 Y C -0.493 175.302 175.900 -0.175 0.000 1.178 55 Y CA -2.001 55.858 58.100 -0.401 0.000 1.226 55 Y CB -0.306 37.793 38.460 -0.602 0.000 1.144 55 Y HN 0.168 8.244 8.280 -0.340 0.000 0.528 56 E N 0.581 120.799 120.200 0.030 0.000 2.360 56 E HA -0.026 nan 4.350 nan 0.000 0.269 56 E C 0.070 176.706 176.600 0.059 0.000 1.022 56 E CA -0.357 56.072 56.400 0.049 0.000 0.887 56 E CB 1.002 30.718 29.700 0.025 0.000 0.990 56 E HN -0.647 7.629 8.360 -0.018 0.074 0.426 57 L N 4.604 125.860 121.223 0.056 0.000 2.511 57 L HA -0.048 nan 4.340 nan 0.000 0.239 57 L C -1.198 175.733 176.870 0.102 0.000 1.400 57 L CA -0.418 54.435 54.840 0.022 0.000 1.226 57 L CB -1.673 40.321 42.059 -0.108 0.000 1.475 57 L HN 0.309 8.576 8.230 0.060 0.000 0.428 58 Q N 2.272 122.135 119.800 0.104 0.000 2.397 58 Q HA 0.297 nan 4.340 nan 0.000 0.260 58 Q C -1.914 174.131 176.000 0.075 0.000 1.002 58 Q CA -0.776 55.088 55.803 0.102 0.000 0.716 58 Q CB 1.996 30.763 28.738 0.049 0.000 1.258 58 Q HN -0.051 8.200 8.270 0.081 0.068 0.477 59 S N 4.007 119.796 115.700 0.149 0.000 2.851 59 S HA 0.651 nan 4.470 nan 0.000 0.313 59 S C 0.304 174.967 174.600 0.105 0.000 1.163 59 S CA -2.399 55.892 58.200 0.152 0.000 0.850 59 S CB 2.775 66.216 63.200 0.402 0.000 1.245 59 S HN 0.569 9.012 8.310 0.221 0.000 0.558 60 R N 1.153 121.805 120.500 0.253 0.000 2.148 60 R HA -0.164 nan 4.340 nan 0.000 0.227 60 R C 1.126 177.317 176.300 -0.181 0.000 1.103 60 R CA 2.323 58.457 56.100 0.057 0.000 0.983 60 R CB -0.085 30.279 30.300 0.108 0.000 0.874 60 R HN 0.112 8.841 8.270 0.765 0.000 0.451 61 G N -4.217 104.354 108.800 -0.381 0.000 2.511 61 G HA2 -0.014 nan 3.960 nan 0.000 0.217 61 G HA3 -0.014 nan 3.960 nan 0.000 0.217 61 G C -1.336 172.837 174.900 -1.213 0.000 1.133 61 G CA -0.446 43.970 45.100 -1.139 0.000 0.792 61 G HN -0.407 7.759 8.290 -0.157 0.030 0.539 62 G N -1.886 106.625 108.800 -0.482 0.000 2.357 62 G HA2 -0.169 nan 3.960 nan 0.000 0.289 62 G HA3 -0.169 nan 3.960 nan 0.000 0.289 62 G C -2.854 172.209 174.900 0.271 0.000 1.302 62 G CA -0.550 44.492 45.100 -0.098 0.000 0.936 62 G HN -0.652 7.362 8.290 -0.212 0.149 0.513 63 N N -1.390 117.488 118.700 0.297 0.000 2.491 63 N HA 0.334 nan 4.740 nan 0.000 0.279 63 N C 0.915 176.625 175.510 0.333 0.000 1.236 63 N CA -2.435 50.775 53.050 0.267 0.000 0.982 63 N CB 1.333 39.914 38.487 0.156 0.000 1.194 63 N HN -0.126 8.691 8.380 0.253 -0.285 0.582 64 R N 0.042 120.674 120.500 0.220 0.000 2.103 64 R HA -0.431 nan 4.340 nan 0.000 0.242 64 R C 1.457 177.886 176.300 0.215 0.000 1.142 64 R CA 4.391 60.610 56.100 0.199 0.000 0.960 64 R CB -0.302 30.073 30.300 0.124 0.000 0.858 64 R HN 0.561 8.932 8.270 0.168 0.000 0.439 65 A N -2.333 120.589 122.820 0.170 0.000 1.902 65 A HA -0.226 nan 4.320 nan 0.000 0.217 65 A C 2.613 180.290 177.584 0.154 0.000 1.181 65 A CA 2.831 54.949 52.037 0.135 0.000 0.623 65 A CB -0.993 18.068 19.000 0.102 0.000 0.818 65 A HN -0.185 8.128 8.150 0.155 -0.070 0.443 66 Q N -1.244 118.691 119.800 0.223 0.000 2.119 66 Q HA -0.334 nan 4.340 nan 0.000 0.201 66 Q C 2.478 178.632 176.000 0.257 0.000 0.972 66 Q CA 2.708 58.670 55.803 0.265 0.000 0.847 66 Q CB 0.032 28.985 28.738 0.358 0.000 0.903 66 Q HN -0.276 8.446 8.270 0.242 -0.307 0.433 67 F N 1.955 121.963 119.950 0.096 0.000 2.113 67 F HA -0.334 nan 4.527 nan 0.000 0.297 67 F C 1.346 177.034 175.800 -0.187 0.000 1.103 67 F CA 3.814 61.632 58.000 -0.304 0.000 1.248 67 F CB 0.329 39.096 39.000 -0.388 0.000 0.999 67 F HN -0.004 8.458 8.300 0.436 0.100 0.475 68 I N -1.569 119.022 120.570 0.036 0.000 2.286 68 I HA -0.659 nan 4.170 nan 0.000 0.248 68 I C 1.504 177.561 176.117 -0.100 0.000 1.115 68 I CA 4.065 65.347 61.300 -0.031 0.000 1.392 68 I CB -0.534 37.503 38.000 0.062 0.000 1.065 68 I HN 0.162 8.484 8.210 0.187 0.000 0.418 69 D N -0.095 120.277 120.400 -0.047 0.000 2.117 69 D HA -0.320 nan 4.640 nan 0.000 0.197 69 D C 1.971 178.216 176.300 -0.091 0.000 0.987 69 D CA 3.374 57.350 54.000 -0.039 0.000 0.829 69 D CB 0.094 40.903 40.800 0.015 0.000 0.961 69 D HN -0.296 8.067 8.370 0.006 0.011 0.460 70 M N -0.307 119.206 119.600 -0.145 0.000 2.117 70 M HA -0.376 nan 4.480 nan 0.000 0.262 70 M C 1.867 178.006 176.300 -0.268 0.000 1.065 70 M CA 4.016 59.203 55.300 -0.188 0.000 1.114 70 M CB 0.075 32.532 32.600 -0.237 0.000 1.361 70 M HN -0.320 7.887 8.290 -0.139 0.000 0.408 71 V N -0.522 119.156 119.914 -0.392 0.000 2.343 71 V HA -0.540 nan 4.120 nan 0.000 0.247 71 V C 2.298 178.282 176.094 -0.183 0.000 1.051 71 V CA 4.469 66.570 62.300 -0.332 0.000 1.036 71 V CB -1.329 30.279 31.823 -0.358 0.000 0.654 71 V HN -0.112 7.786 8.190 -0.487 0.000 0.451 72 N N -0.476 118.140 118.700 -0.139 0.000 2.058 72 N HA -0.256 nan 4.740 nan 0.000 0.191 72 N C 2.262 177.729 175.510 -0.072 0.000 1.037 72 N CA 3.332 56.331 53.050 -0.085 0.000 0.848 72 N CB -0.566 37.886 38.487 -0.059 0.000 1.021 72 N HN -0.262 8.026 8.380 -0.153 0.000 0.422 73 R N 0.376 120.833 120.500 -0.072 0.000 2.081 73 R HA -0.249 nan 4.340 nan 0.000 0.235 73 R C 2.450 178.716 176.300 -0.057 0.000 1.131 73 R CA 3.506 59.574 56.100 -0.053 0.000 0.960 73 R CB -0.155 30.119 30.300 -0.044 0.000 0.856 73 R HN -0.130 8.091 8.270 -0.082 0.000 0.436 74 c N -0.887 117.665 118.600 -0.080 0.000 2.429 74 c HA -0.239 nan 4.570 nan 0.000 0.277 74 c C 2.098 176.146 174.090 -0.070 0.000 1.262 74 c CA 4.124 60.407 56.329 -0.078 0.000 1.733 74 c CB -2.017 40.425 42.510 -0.114 0.000 2.010 74 c HN -0.022 8.147 8.230 -0.103 0.000 0.483 75 S N 0.146 115.798 115.700 -0.080 0.000 2.370 75 S HA -0.352 nan 4.470 nan 0.000 0.226 75 S C 2.342 176.916 174.600 -0.044 0.000 1.033 75 S CA 3.383 61.544 58.200 -0.064 0.000 1.011 75 S CB -0.337 62.823 63.200 -0.067 0.000 0.852 75 S HN -0.203 8.049 8.310 -0.096 0.000 0.457 76 A N 1.325 124.121 122.820 -0.040 0.000 1.969 76 A HA -0.131 nan 4.320 nan 0.000 0.218 76 A C 0.911 178.481 177.584 -0.022 0.000 1.169 76 A CA 2.456 54.476 52.037 -0.028 0.000 0.635 76 A CB -0.405 18.580 19.000 -0.025 0.000 0.810 76 A HN -0.123 7.998 8.150 -0.047 0.000 0.445 77 A N -4.156 118.649 122.820 -0.024 0.000 2.208 77 A HA 0.082 nan 4.320 nan 0.000 0.209 77 A C -0.040 177.537 177.584 -0.012 0.000 1.161 77 A CA -0.399 51.630 52.037 -0.014 0.000 0.782 77 A CB 0.123 19.117 19.000 -0.009 0.000 0.816 77 A HN -0.547 7.459 8.150 -0.031 0.125 0.477 78 G N -2.277 106.511 108.800 -0.021 0.000 2.132 78 G HA2 -0.204 nan 3.960 nan 0.000 0.228 78 G HA3 -0.204 nan 3.960 nan 0.000 0.228 78 G C -0.675 174.213 174.900 -0.020 0.000 1.000 78 G CA -0.032 45.057 45.100 -0.018 0.000 0.693 78 G HN -0.532 7.536 8.290 -0.027 0.206 0.515 79 V N 0.568 120.461 119.914 -0.036 0.000 2.409 79 V HA 0.181 nan 4.120 nan 0.000 0.291 79 V C -0.941 175.092 176.094 -0.101 0.000 1.020 79 V CA -1.017 61.252 62.300 -0.053 0.000 0.848 79 V CB 0.755 32.551 31.823 -0.045 0.000 0.990 79 V HN -0.231 7.837 8.190 -0.041 0.097 0.430 80 D N 5.464 125.781 120.400 -0.139 0.000 2.377 80 D HA 0.205 nan 4.640 nan 0.000 0.245 80 D C -1.101 175.032 176.300 -0.279 0.000 1.196 80 D CA -0.533 53.358 54.000 -0.182 0.000 0.962 80 D CB 1.647 42.355 40.800 -0.154 0.000 1.127 80 D HN 0.162 8.456 8.370 -0.127 0.000 0.471 81 I N -0.803 119.631 120.570 -0.227 0.000 2.433 81 I HA 0.524 nan 4.170 nan 0.000 0.292 81 I C -1.375 174.697 176.117 -0.075 0.000 1.001 81 I CA -1.485 59.685 61.300 -0.216 0.000 1.119 81 I CB 1.340 39.200 38.000 -0.233 0.000 1.289 81 I HN 0.289 8.404 8.210 -0.158 0.000 0.438 82 Y N 5.502 125.717 120.300 -0.141 0.000 2.335 82 Y HA 0.362 nan 4.550 nan 0.000 0.338 82 Y C -1.505 174.325 175.900 -0.116 0.000 0.977 82 Y CA -3.270 54.723 58.100 -0.179 0.000 1.114 82 Y CB 1.088 39.532 38.460 -0.028 0.000 1.182 82 Y HN 0.735 8.973 8.280 -0.069 0.000 0.463 83 V N 4.276 124.140 119.914 -0.084 0.000 2.407 83 V HA 0.114 nan 4.120 nan 0.000 0.278 83 V C -0.880 175.300 176.094 0.144 0.000 1.037 83 V CA -1.266 61.061 62.300 0.045 0.000 0.900 83 V CB 1.266 33.103 31.823 0.023 0.000 0.983 83 V HN 0.617 8.471 8.190 -0.405 0.093 0.459 84 D N 8.315 128.822 120.400 0.179 0.000 2.346 84 D HA 0.099 nan 4.640 nan 0.000 0.260 84 D C -0.505 175.926 176.300 0.218 0.000 1.252 84 D CA 0.368 54.478 54.000 0.183 0.000 0.895 84 D CB 0.781 41.702 40.800 0.203 0.000 1.097 84 D HN 0.081 8.567 8.370 0.194 0.000 0.489 85 T N 8.035 122.741 114.554 0.254 0.000 2.771 85 T HA 0.315 nan 4.350 nan 0.000 0.281 85 T C -0.950 173.823 174.700 0.121 0.000 0.982 85 T CA -0.897 61.349 62.100 0.244 0.000 0.978 85 T CB 1.720 70.789 68.868 0.336 0.000 0.930 85 T HN 0.627 9.017 8.240 0.249 0.000 0.447 86 L N 7.417 128.656 121.223 0.025 0.000 2.302 86 L HA 0.393 nan 4.340 nan 0.000 0.285 86 L C -0.154 176.596 176.870 -0.200 0.000 1.090 86 L CA -1.166 53.619 54.840 -0.092 0.000 0.866 86 L CB -1.399 40.588 42.059 -0.120 0.000 1.244 86 L HN 0.663 8.914 8.230 0.034 0.000 0.435 87 I N -0.904 119.529 120.570 -0.228 0.000 3.603 87 I HA -0.048 nan 4.170 nan 0.000 0.297 87 I C 0.478 176.459 176.117 -0.225 0.000 1.269 87 I CA 1.362 62.491 61.300 -0.285 0.000 1.361 87 I CB 0.651 38.379 38.000 -0.454 0.000 1.063 87 I HN -0.303 7.807 8.210 -0.166 0.000 0.448 88 N N -0.263 118.306 118.700 -0.219 0.000 2.402 88 N HA -0.124 nan 4.740 nan 0.000 0.174 88 N C -1.627 173.844 175.510 -0.066 0.000 1.027 88 N CA 1.217 54.214 53.050 -0.089 0.000 0.891 88 N CB 1.341 39.896 38.487 0.113 0.000 1.016 88 N HN 0.259 8.422 8.380 -0.286 0.045 0.439 89 H N -7.464 111.587 119.070 -0.032 0.000 2.933 89 H HA 0.618 nan 4.556 nan 0.000 0.310 89 H C -2.057 173.240 175.328 -0.052 0.000 1.351 89 H CA -1.761 54.273 56.048 -0.024 0.000 1.137 89 H CB 2.763 32.522 29.762 -0.005 0.000 1.853 89 H HN -0.786 7.003 8.280 -0.819 0.000 0.539 90 M N -2.704 116.959 119.600 0.105 0.000 2.775 90 M HA 0.427 nan 4.480 nan 0.000 0.296 90 M C -0.943 175.378 176.300 0.034 0.000 1.248 90 M CA -2.726 52.487 55.300 -0.145 0.000 0.800 90 M CB 4.020 36.193 32.600 -0.711 0.000 1.765 90 M HN -0.174 8.240 8.290 0.206 0.000 0.472 91 A N -1.528 121.285 122.820 -0.012 0.000 2.492 91 A HA 0.006 nan 4.320 nan 0.000 0.236 91 A C -0.756 176.981 177.584 0.254 0.000 1.078 91 A CA 0.340 52.434 52.037 0.095 0.000 0.773 91 A CB 0.160 19.037 19.000 -0.205 0.000 1.023 91 A HN 0.127 8.159 8.150 -0.197 0.000 0.504 92 A N 0.923 123.875 122.820 0.219 0.000 2.279 92 A HA 0.335 nan 4.320 nan 0.000 0.303 92 A C 0.393 178.143 177.584 0.276 0.000 1.108 92 A CA -0.877 51.269 52.037 0.181 0.000 0.830 92 A CB 0.754 19.795 19.000 0.069 0.000 1.106 92 A HN -0.229 8.322 8.150 0.186 -0.289 0.493 93 G N 1.686 110.574 108.800 0.147 0.000 2.622 93 G HA2 -0.395 nan 3.960 nan 0.000 0.307 93 G HA3 -0.395 nan 3.960 nan 0.000 0.307 93 G C -1.333 173.566 174.900 -0.001 0.000 1.226 93 G CA 0.506 45.646 45.100 0.068 0.000 0.997 93 G HN 0.561 8.902 8.290 0.085 0.000 0.551 94 S N -0.610 114.961 115.700 -0.216 0.000 2.625 94 S HA 0.742 nan 4.470 nan 0.000 0.271 94 S C -1.467 172.595 174.600 -0.896 0.000 1.161 94 S CA -1.128 56.592 58.200 -0.801 0.000 0.820 94 S CB 2.980 65.876 63.200 -0.506 0.000 1.137 94 S HN -0.121 8.118 8.310 -0.117 0.000 0.470 95 G N -0.931 107.122 108.800 -1.245 0.000 2.373 95 G HA2 -0.069 nan 3.960 nan 0.000 0.250 95 G HA3 -0.069 nan 3.960 nan 0.000 0.250 95 G C -2.882 171.802 174.900 -0.359 0.000 1.304 95 G CA 1.039 45.799 45.100 -0.568 0.000 0.948 95 G HN -0.101 7.260 8.290 -1.550 0.000 0.474 96 T N 2.356 116.931 114.554 0.035 0.000 2.907 96 T HA 0.827 nan 4.350 nan 0.000 0.292 96 T C -0.934 173.921 174.700 0.258 0.000 1.043 96 T CA -0.698 61.491 62.100 0.148 0.000 1.003 96 T CB 3.237 72.135 68.868 0.050 0.000 1.084 96 T HN 0.261 8.543 8.240 0.069 0.000 0.483 97 G N 0.595 109.518 108.800 0.205 0.000 2.521 97 G HA2 0.582 nan 3.960 nan 0.000 0.323 97 G HA3 0.582 nan 3.960 nan 0.000 0.323 97 G C 0.752 175.648 174.900 -0.006 0.000 1.211 97 G CA -1.373 43.787 45.100 0.099 0.000 0.979 97 G HN 0.254 8.655 8.290 0.185 0.000 0.490 98 T N -3.701 110.776 114.554 -0.127 0.000 3.163 98 T HA -0.164 nan 4.350 nan 0.000 0.260 98 T C 0.329 174.984 174.700 -0.075 0.000 1.156 98 T CA 2.119 64.124 62.100 -0.157 0.000 1.072 98 T CB -0.511 68.139 68.868 -0.363 0.000 0.937 98 T HN 0.059 8.177 8.240 -0.203 0.000 0.528 99 A N -0.057 122.740 122.820 -0.038 0.000 2.508 99 A HA 0.368 nan 4.320 nan 0.000 0.257 99 A C 0.079 177.667 177.584 0.008 0.000 1.226 99 A CA -0.358 51.675 52.037 -0.007 0.000 0.947 99 A CB 0.619 19.619 19.000 0.001 0.000 1.079 99 A HN -0.181 8.152 8.150 -0.034 -0.203 0.531 100 G N -1.028 107.780 108.800 0.013 0.000 2.195 100 G HA2 -0.388 nan 3.960 nan 0.000 0.246 100 G HA3 -0.388 nan 3.960 nan 0.000 0.246 100 G C -0.391 174.531 174.900 0.038 0.000 0.984 100 G CA -0.139 44.974 45.100 0.021 0.000 0.633 100 G HN -0.173 7.950 8.290 0.007 0.170 0.525 101 N N 1.590 120.323 118.700 0.054 0.000 2.518 101 N HA 0.019 nan 4.740 nan 0.000 0.266 101 N C -0.808 174.783 175.510 0.134 0.000 1.196 101 N CA 0.710 53.808 53.050 0.079 0.000 0.947 101 N CB 0.641 39.175 38.487 0.080 0.000 1.098 101 N HN -0.380 8.165 8.380 0.045 -0.138 0.450 102 S N 0.134 115.896 115.700 0.103 0.000 2.654 102 S HA 0.751 nan 4.470 nan 0.000 0.283 102 S C -0.649 174.036 174.600 0.142 0.000 1.180 102 S CA -0.185 58.061 58.200 0.076 0.000 1.021 102 S CB 1.983 65.168 63.200 -0.025 0.000 1.018 102 S HN 0.132 8.484 8.310 0.069 0.000 0.532 103 F N -3.171 116.696 119.950 -0.138 0.000 2.686 103 F HA 0.597 nan 4.527 nan 0.000 0.311 103 F C -2.157 173.446 175.800 -0.328 0.000 1.128 103 F CA -1.190 56.612 58.000 -0.331 0.000 0.946 103 F CB 2.641 41.349 39.000 -0.486 0.000 1.336 103 F HN 0.123 8.227 8.300 -0.327 0.000 0.457 104 G N -1.607 106.951 108.800 -0.403 0.000 2.405 104 G HA2 0.008 nan 3.960 nan 0.000 0.303 104 G HA3 0.008 nan 3.960 nan 0.000 0.303 104 G C -1.578 173.178 174.900 -0.239 0.000 1.644 104 G CA 0.517 45.404 45.100 -0.355 0.000 0.899 104 G HN -0.022 8.011 8.290 -0.430 0.000 0.667 105 N N 2.381 120.977 118.700 -0.173 0.000 2.714 105 N HA -0.488 nan 4.740 nan 0.000 0.253 105 N C -0.156 175.279 175.510 -0.125 0.000 1.024 105 N CA 0.937 53.915 53.050 -0.120 0.000 0.726 105 N CB -1.252 37.181 38.487 -0.090 0.000 0.908 105 N HN 0.343 8.626 8.380 -0.161 0.000 0.542 106 K N -9.074 111.218 120.400 -0.179 0.000 3.088 106 K HA -0.464 nan 4.320 nan 0.000 0.273 106 K C -1.596 175.028 176.600 0.040 0.000 1.111 106 K CA 1.432 57.598 56.287 -0.201 0.000 0.803 106 K CB -1.185 31.133 32.500 -0.304 0.000 1.226 106 K HN 0.434 8.582 8.250 -0.170 0.000 0.485 107 S N -1.445 114.156 115.700 -0.165 0.000 2.530 107 S HA 0.365 nan 4.470 nan 0.000 0.322 107 S C -1.318 173.143 174.600 -0.232 0.000 1.085 107 S CA -0.878 57.312 58.200 -0.017 0.000 1.096 107 S CB 0.914 64.096 63.200 -0.031 0.000 0.988 107 S HN -0.680 7.269 8.310 -0.342 0.156 0.466 108 F N 7.306 127.395 119.950 0.231 0.000 2.639 108 F HA 0.490 nan 4.527 nan 0.000 0.339 108 F C -0.839 175.013 175.800 0.086 0.000 1.071 108 F CA -2.688 55.423 58.000 0.184 0.000 0.994 108 F CB 0.585 39.710 39.000 0.208 0.000 1.341 108 F HN 0.617 9.248 8.300 0.552 0.000 0.498 109 P HA -0.095 nan 4.420 nan 0.000 0.222 109 P C -0.911 176.390 177.300 0.001 0.000 1.147 109 P CA 2.381 65.527 63.100 0.077 0.000 0.790 109 P CB 0.154 31.877 31.700 0.039 0.000 0.780 110 I N -11.111 109.409 120.570 -0.084 0.000 4.154 110 I HA 0.263 nan 4.170 nan 0.000 0.334 110 I C -1.920 173.968 176.117 -0.382 0.000 1.371 110 I CA -0.840 60.277 61.300 -0.304 0.000 1.110 110 I CB 1.173 38.795 38.000 -0.630 0.000 1.085 110 I HN -0.167 8.004 8.210 -0.013 0.032 0.398 111 Y N -1.565 118.840 120.300 0.175 0.000 2.534 111 Y HA 0.630 nan 4.550 nan 0.000 0.345 111 Y C -1.659 174.419 175.900 0.296 0.000 1.031 111 Y CA -1.677 56.537 58.100 0.189 0.000 1.022 111 Y CB 3.804 42.302 38.460 0.063 0.000 1.292 111 Y HN -0.988 7.333 8.280 0.252 0.111 0.459 112 S N 1.347 117.277 115.700 0.383 0.000 2.718 112 S HA 0.644 nan 4.470 nan 0.000 0.300 112 S C -0.664 174.192 174.600 0.427 0.000 1.117 112 S CA -3.370 55.010 58.200 0.299 0.000 1.002 112 S CB 0.663 63.935 63.200 0.121 0.000 1.092 112 S HN 0.616 9.512 8.310 0.312 -0.399 0.542 113 P HA -0.175 nan 4.420 nan 0.000 0.221 113 P C 0.716 178.212 177.300 0.326 0.000 1.145 113 P CA 2.655 65.956 63.100 0.335 0.000 0.795 113 P CB 0.021 31.814 31.700 0.155 0.000 0.775 114 Q N -3.525 116.395 119.800 0.199 0.000 2.482 114 Q HA -0.121 nan 4.340 nan 0.000 0.209 114 Q C 0.634 176.677 176.000 0.072 0.000 0.961 114 Q CA 1.740 57.616 55.803 0.121 0.000 0.945 114 Q CB -0.862 27.914 28.738 0.063 0.000 1.012 114 Q HN -0.373 7.960 8.270 0.170 0.039 0.515 115 D N -0.461 119.963 120.400 0.040 0.000 2.340 115 D HA 0.128 nan 4.640 nan 0.000 0.217 115 D C -1.305 174.655 176.300 -0.567 0.000 1.081 115 D CA 1.292 55.164 54.000 -0.214 0.000 0.842 115 D CB 0.763 41.453 40.800 -0.183 0.000 0.934 115 D HN -0.154 8.131 8.370 0.172 0.189 0.511 116 F N -2.038 117.861 119.950 -0.085 0.000 2.611 116 F HA 0.412 nan 4.527 nan 0.000 0.324 116 F C -0.311 175.442 175.800 -0.077 0.000 1.061 116 F CA -1.231 56.679 58.000 -0.151 0.000 0.954 116 F CB 3.620 42.586 39.000 -0.056 0.000 1.301 116 F HN -0.810 7.520 8.300 0.189 0.083 0.482 117 H N -1.436 117.743 119.070 0.182 0.000 2.607 117 H HA 0.012 nan 4.556 nan 0.000 0.367 117 H C -0.491 174.903 175.328 0.111 0.000 1.181 117 H CA -0.014 56.095 56.048 0.101 0.000 1.402 117 H CB 1.143 30.929 29.762 0.041 0.000 1.474 117 H HN 0.586 8.870 8.280 0.006 0.000 0.596 118 E N 1.793 122.126 120.200 0.221 0.000 2.413 118 E HA -0.177 nan 4.350 nan 0.000 0.263 118 E C -0.873 175.793 176.600 0.110 0.000 1.015 118 E CA -0.161 56.322 56.400 0.138 0.000 0.916 118 E CB -0.006 29.760 29.700 0.109 0.000 0.947 118 E HN 0.291 8.785 8.360 0.223 0.000 0.440 119 S N 1.010 116.754 115.700 0.072 0.000 2.533 119 S HA -0.012 nan 4.470 nan 0.000 0.282 119 S C -0.899 173.723 174.600 0.037 0.000 1.304 119 S CA 0.903 59.130 58.200 0.045 0.000 1.063 119 S CB 0.151 63.362 63.200 0.018 0.000 0.881 119 S HN 0.222 8.570 8.310 0.064 0.000 0.493 120 c N -0.199 118.416 118.600 0.026 0.000 3.239 120 c HA 0.277 nan 4.570 nan 0.000 0.329 120 c C -1.735 172.355 174.090 0.000 0.000 1.252 120 c CA -1.592 54.748 56.329 0.018 0.000 1.323 120 c CB 3.677 46.206 42.510 0.031 0.000 1.663 120 c HN 0.046 8.291 8.230 0.025 0.000 0.487 121 T N 2.015 116.565 114.554 -0.005 0.000 2.837 121 T HA 0.532 nan 4.350 nan 0.000 0.285 121 T C -0.973 173.710 174.700 -0.028 0.000 0.984 121 T CA 0.064 62.153 62.100 -0.017 0.000 1.049 121 T CB 0.878 69.739 68.868 -0.013 0.000 0.947 121 T HN 0.283 8.524 8.240 0.001 0.000 0.472 122 I N 5.456 126.000 120.570 -0.043 0.000 2.379 122 I HA -0.189 nan 4.170 nan 0.000 0.290 122 I C -0.711 175.377 176.117 -0.048 0.000 1.063 122 I CA 0.381 61.633 61.300 -0.080 0.000 1.351 122 I CB -0.082 37.855 38.000 -0.105 0.000 1.410 122 I HN -0.239 7.946 8.210 -0.042 0.000 0.505 123 N N 8.349 127.020 118.700 -0.048 0.000 2.508 123 N HA 0.142 nan 4.740 nan 0.000 0.285 123 N C 0.595 176.135 175.510 0.050 0.000 1.144 123 N CA -0.356 52.699 53.050 0.009 0.000 0.978 123 N CB 1.154 39.647 38.487 0.010 0.000 1.180 123 N HN 0.269 8.974 8.380 -0.067 -0.365 0.484 124 N N 2.606 121.391 118.700 0.141 0.000 2.149 124 N HA -0.354 nan 4.740 nan 0.000 0.188 124 N C 1.214 176.873 175.510 0.248 0.000 1.019 124 N CA 3.440 56.653 53.050 0.270 0.000 0.857 124 N CB 0.011 38.597 38.487 0.166 0.000 0.997 124 N HN 0.616 9.059 8.380 0.106 0.000 0.426 125 S N -2.803 112.970 115.700 0.121 0.000 2.515 125 S HA -0.140 nan 4.470 nan 0.000 0.231 125 S C 1.362 176.001 174.600 0.064 0.000 0.987 125 S CA 2.196 60.451 58.200 0.091 0.000 0.936 125 S CB -0.649 62.584 63.200 0.055 0.000 0.766 125 S HN 0.010 8.359 8.310 0.088 0.015 0.528 126 D N 2.489 122.891 120.400 0.003 0.000 2.178 126 D HA -0.204 nan 4.640 nan 0.000 0.201 126 D C 1.738 177.981 176.300 -0.094 0.000 0.980 126 D CA 2.933 56.883 54.000 -0.082 0.000 0.842 126 D CB -0.381 40.308 40.800 -0.185 0.000 0.948 126 D HN -0.215 7.986 8.370 0.003 0.171 0.472 127 Y N -1.464 118.848 120.300 0.020 0.000 2.207 127 Y HA -0.336 nan 4.550 nan 0.000 0.287 127 Y C 2.133 178.037 175.900 0.008 0.000 1.156 127 Y CA 3.551 61.654 58.100 0.006 0.000 1.182 127 Y CB -0.622 37.840 38.460 0.003 0.000 0.979 127 Y HN -0.671 7.603 8.280 0.017 0.015 0.521 128 G N -4.326 104.572 108.800 0.164 0.000 2.494 128 G HA2 -0.193 nan 3.960 nan 0.000 0.216 128 G HA3 -0.193 nan 3.960 nan 0.000 0.216 128 G C -0.535 174.403 174.900 0.063 0.000 1.140 128 G CA 0.893 46.053 45.100 0.100 0.000 0.801 128 G HN -0.032 8.348 8.290 0.175 0.015 0.536 129 N N -3.631 115.098 118.700 0.048 0.000 2.301 129 N HA 0.085 nan 4.740 nan 0.000 0.247 129 N C -1.618 173.907 175.510 0.025 0.000 1.347 129 N CA -0.440 52.630 53.050 0.033 0.000 0.844 129 N CB 1.361 39.865 38.487 0.029 0.000 1.332 129 N HN -0.746 7.566 8.380 0.048 0.097 0.494 130 D N 0.920 121.330 120.400 0.017 0.000 2.584 130 D HA 0.286 nan 4.640 nan 0.000 0.238 130 D C -0.998 175.312 176.300 0.016 0.000 1.302 130 D CA -0.455 53.561 54.000 0.027 0.000 0.884 130 D CB 1.405 42.221 40.800 0.027 0.000 1.456 130 D HN -0.141 8.235 8.370 0.011 0.000 0.528 131 R N 4.322 124.842 120.500 0.034 0.000 2.152 131 R HA -0.301 nan 4.340 nan 0.000 0.232 131 R C 0.675 176.983 176.300 0.013 0.000 1.117 131 R CA 2.439 58.549 56.100 0.017 0.000 0.981 131 R CB -0.580 29.739 30.300 0.033 0.000 0.870 131 R HN 0.118 8.414 8.270 0.043 0.000 0.451 132 Y N 1.477 121.750 120.300 -0.045 0.000 2.145 132 Y HA -0.366 nan 4.550 nan 0.000 0.286 132 Y C 1.537 177.396 175.900 -0.069 0.000 1.145 132 Y CA 3.309 61.375 58.100 -0.056 0.000 1.148 132 Y CB 0.074 38.502 38.460 -0.052 0.000 0.981 132 Y HN -0.554 7.889 8.280 0.179 -0.055 0.507 133 R N -2.018 118.477 120.500 -0.009 0.000 2.092 133 R HA -0.391 nan 4.340 nan 0.000 0.231 133 R C 2.592 178.796 176.300 -0.160 0.000 1.119 133 R CA 3.463 59.507 56.100 -0.093 0.000 0.970 133 R CB -0.142 30.152 30.300 -0.010 0.000 0.864 133 R HN -0.494 8.133 8.270 0.129 -0.280 0.440 134 V N 0.157 119.973 119.914 -0.162 0.000 2.343 134 V HA -0.377 nan 4.120 nan 0.000 0.247 134 V C 1.816 177.883 176.094 -0.044 0.000 1.051 134 V CA 4.404 66.599 62.300 -0.175 0.000 1.036 134 V CB -0.623 31.064 31.823 -0.226 0.000 0.654 134 V HN -0.195 7.917 8.190 -0.130 0.000 0.451 135 Q N -4.787 114.950 119.800 -0.105 0.000 2.384 135 Q HA -0.023 nan 4.340 nan 0.000 0.207 135 Q C 1.260 177.177 176.000 -0.139 0.000 0.904 135 Q CA 2.013 57.782 55.803 -0.058 0.000 0.933 135 Q CB 0.428 29.138 28.738 -0.047 0.000 1.077 135 Q HN -0.100 8.076 8.270 -0.157 0.000 0.522 136 N N -3.148 115.340 118.700 -0.354 0.000 2.257 136 N HA 0.201 nan 4.740 nan 0.000 0.200 136 N C -0.373 175.003 175.510 -0.224 0.000 1.163 136 N CA 1.133 53.861 53.050 -0.537 0.000 0.891 136 N CB 2.911 40.734 38.487 -1.106 0.000 1.067 136 N HN -0.372 7.679 8.380 -0.376 0.104 0.497 137 c N -0.599 117.915 118.600 -0.142 0.000 2.328 137 c HA 0.230 nan 4.570 nan 0.000 0.378 137 c C -0.794 173.296 174.090 -0.001 0.000 1.249 137 c CA -0.352 55.949 56.329 -0.048 0.000 2.204 137 c CB 1.527 44.004 42.510 -0.056 0.000 2.218 137 c HN -0.246 7.880 8.230 -0.173 0.000 0.564 138 E N -0.204 119.991 120.200 -0.008 0.000 2.289 138 E HA 0.034 nan 4.350 nan 0.000 0.278 138 E C -1.194 175.357 176.600 -0.082 0.000 1.032 138 E CA -0.466 55.915 56.400 -0.032 0.000 0.854 138 E CB 0.899 30.581 29.700 -0.029 0.000 1.046 138 E HN 0.482 8.731 8.360 -0.008 0.106 0.409 139 L N 6.026 127.156 121.223 -0.155 0.000 2.295 139 L HA 0.146 nan 4.340 nan 0.000 0.288 139 L C -0.450 176.292 176.870 -0.213 0.000 1.079 139 L CA -0.353 54.348 54.840 -0.232 0.000 0.830 139 L CB 0.702 42.500 42.059 -0.435 0.000 1.200 139 L HN 0.494 8.632 8.230 -0.153 0.000 0.438 140 V N 2.006 121.832 119.914 -0.145 0.000 5.479 140 V HA -0.304 nan 4.120 nan 0.000 0.289 140 V C 0.076 176.085 176.094 -0.141 0.000 0.595 140 V CA 0.877 63.090 62.300 -0.144 0.000 0.649 140 V CB -3.107 28.602 31.823 -0.190 0.000 0.390 140 V HN 0.554 8.683 8.190 -0.102 0.000 0.974 141 G N -1.983 106.755 108.800 -0.104 0.000 2.184 141 G HA2 -0.352 nan 3.960 nan 0.000 0.264 141 G HA3 -0.352 nan 3.960 nan 0.000 0.264 141 G C 0.023 174.879 174.900 -0.073 0.000 0.975 141 G CA 0.124 45.178 45.100 -0.077 0.000 0.642 141 G HN 0.040 8.264 8.290 -0.092 0.010 0.536 142 L N 1.877 123.027 121.223 -0.122 0.000 2.410 142 L HA -0.117 nan 4.340 nan 0.000 0.273 142 L C -0.280 176.574 176.870 -0.026 0.000 1.144 142 L CA -0.575 54.200 54.840 -0.108 0.000 0.863 142 L CB -0.358 41.496 42.059 -0.342 0.000 1.140 142 L HN -0.502 7.449 8.230 -0.169 0.178 0.463 143 A N 5.992 128.815 122.820 0.005 0.000 2.537 143 A HA -0.215 nan 4.320 nan 0.000 0.260 143 A C -0.958 176.726 177.584 0.167 0.000 1.082 143 A CA 0.780 52.783 52.037 -0.057 0.000 0.765 143 A CB 0.572 19.345 19.000 -0.378 0.000 1.019 143 A HN -0.000 8.168 8.150 0.030 0.000 0.507 144 D N 4.653 125.170 120.400 0.195 0.000 2.365 144 D HA 0.221 nan 4.640 nan 0.000 0.237 144 D C -0.755 175.641 176.300 0.160 0.000 1.190 144 D CA -0.575 53.551 54.000 0.209 0.000 0.867 144 D CB 0.817 41.738 40.800 0.203 0.000 1.050 144 D HN 0.024 8.469 8.370 0.125 0.000 0.491 145 L N 4.952 126.154 121.223 -0.035 0.000 2.485 145 L HA -0.157 nan 4.340 nan 0.000 0.275 145 L C -0.270 176.218 176.870 -0.636 0.000 1.207 145 L CA 0.778 55.344 54.840 -0.457 0.000 0.855 145 L CB 0.641 42.381 42.059 -0.531 0.000 1.114 145 L HN -0.121 8.117 8.230 0.014 0.000 0.485 146 D N 2.663 122.645 120.400 -0.696 0.000 2.470 146 D HA 0.075 nan 4.640 nan 0.000 0.226 146 D C 0.970 177.083 176.300 -0.313 0.000 1.196 146 D CA -0.695 52.913 54.000 -0.654 0.000 0.979 146 D CB -0.187 40.408 40.800 -0.342 0.000 1.059 146 D HN 0.122 7.984 8.370 -0.687 0.096 0.515 147 T N -0.204 114.218 114.554 -0.220 0.000 3.163 147 T HA -0.045 nan 4.350 nan 0.000 0.260 147 T C 0.118 174.790 174.700 -0.045 0.000 1.156 147 T CA 0.854 62.884 62.100 -0.118 0.000 1.072 147 T CB -0.807 68.013 68.868 -0.080 0.000 0.937 147 T HN -0.158 7.922 8.240 -0.239 0.016 0.528 148 A N -0.162 122.655 122.820 -0.005 0.000 2.169 148 A HA 0.233 nan 4.320 nan 0.000 0.210 148 A C -0.244 177.346 177.584 0.011 0.000 1.168 148 A CA -0.221 51.830 52.037 0.023 0.000 0.813 148 A CB 0.558 19.597 19.000 0.065 0.000 0.861 148 A HN -0.593 7.694 8.150 -0.002 -0.139 0.481 149 S N -0.163 115.533 115.700 -0.006 0.000 2.533 149 S HA -0.107 nan 4.470 nan 0.000 0.282 149 S C 1.211 175.824 174.600 0.021 0.000 1.304 149 S CA -0.213 57.997 58.200 0.017 0.000 1.063 149 S CB 1.050 64.261 63.200 0.018 0.000 0.881 149 S HN -0.567 7.570 8.310 -0.035 0.152 0.493 150 N N 9.391 128.118 118.700 0.044 0.000 2.223 150 N HA -0.294 nan 4.740 nan 0.000 0.185 150 N C 1.396 176.934 175.510 0.047 0.000 1.016 150 N CA 2.936 56.007 53.050 0.035 0.000 0.863 150 N CB -0.145 38.368 38.487 0.044 0.000 0.983 150 N HN 0.607 9.018 8.380 0.051 0.000 0.429 151 Y N -0.427 119.870 120.300 -0.004 0.000 2.163 151 Y HA -0.306 nan 4.550 nan 0.000 0.288 151 Y C 1.468 177.387 175.900 0.031 0.000 1.136 151 Y CA 3.909 62.014 58.100 0.008 0.000 1.147 151 Y CB 0.179 38.646 38.460 0.011 0.000 0.987 151 Y HN -0.533 7.854 8.280 0.205 0.016 0.509 152 V N -1.023 118.864 119.914 -0.045 0.000 2.343 152 V HA -0.553 nan 4.120 nan 0.000 0.247 152 V C 2.048 178.061 176.094 -0.135 0.000 1.051 152 V CA 3.815 66.063 62.300 -0.086 0.000 1.036 152 V CB -0.929 30.821 31.823 -0.122 0.000 0.654 152 V HN -0.713 7.540 8.190 0.104 0.000 0.451 153 Q N -1.322 118.408 119.800 -0.116 0.000 2.050 153 Q HA -0.437 nan 4.340 nan 0.000 0.202 153 Q C 2.532 178.456 176.000 -0.128 0.000 0.980 153 Q CA 3.510 59.246 55.803 -0.111 0.000 0.840 153 Q CB -0.330 28.362 28.738 -0.076 0.000 0.898 153 Q HN 0.166 8.386 8.270 -0.084 0.000 0.424 154 N N -0.158 118.454 118.700 -0.146 0.000 2.104 154 N HA -0.265 nan 4.740 nan 0.000 0.190 154 N C 2.563 177.968 175.510 -0.175 0.000 1.024 154 N CA 3.204 56.168 53.050 -0.144 0.000 0.853 154 N CB -0.294 38.112 38.487 -0.134 0.000 1.008 154 N HN -0.211 8.084 8.380 -0.141 0.000 0.424 155 T N 3.540 117.927 114.554 -0.279 0.000 2.708 155 T HA -0.241 nan 4.350 nan 0.000 0.266 155 T C 2.069 176.751 174.700 -0.030 0.000 1.037 155 T CA 4.736 66.704 62.100 -0.219 0.000 1.146 155 T CB -0.345 68.278 68.868 -0.407 0.000 0.865 155 T HN -0.231 7.768 8.240 -0.379 0.013 0.435 156 I N 0.905 121.449 120.570 -0.042 0.000 2.286 156 I HA -0.432 nan 4.170 nan 0.000 0.245 156 I C 1.180 177.217 176.117 -0.133 0.000 1.104 156 I CA 3.877 65.111 61.300 -0.109 0.000 1.397 156 I CB -0.399 37.502 38.000 -0.164 0.000 1.072 156 I HN -0.304 7.862 8.210 -0.073 0.000 0.417 157 A N -0.846 121.896 122.820 -0.131 0.000 1.933 157 A HA -0.319 nan 4.320 nan 0.000 0.218 157 A C 1.745 179.264 177.584 -0.107 0.000 1.175 157 A CA 3.171 55.127 52.037 -0.134 0.000 0.628 157 A CB -1.100 17.835 19.000 -0.108 0.000 0.814 157 A HN 0.156 8.231 8.150 -0.125 0.000 0.444 158 A N -1.257 121.523 122.820 -0.066 0.000 1.902 158 A HA -0.249 nan 4.320 nan 0.000 0.217 158 A C 1.431 179.018 177.584 0.005 0.000 1.181 158 A CA 2.804 54.823 52.037 -0.029 0.000 0.623 158 A CB -0.843 18.148 19.000 -0.014 0.000 0.818 158 A HN -0.122 7.971 8.150 -0.071 0.015 0.443 159 Y N -0.170 120.042 120.300 -0.147 0.000 2.145 159 Y HA -0.388 nan 4.550 nan 0.000 0.286 159 Y C 1.722 177.520 175.900 -0.170 0.000 1.145 159 Y CA 2.582 60.575 58.100 -0.178 0.000 1.148 159 Y CB -0.063 38.155 38.460 -0.403 0.000 0.981 159 Y HN -0.747 7.495 8.280 0.069 0.080 0.507 160 I N -1.589 118.760 120.570 -0.369 0.000 2.208 160 I HA -0.710 nan 4.170 nan 0.000 0.245 160 I C 2.107 178.036 176.117 -0.314 0.000 1.097 160 I CA 4.143 65.094 61.300 -0.581 0.000 1.363 160 I CB -0.469 37.120 38.000 -0.685 0.000 1.051 160 I HN -0.074 8.005 8.210 -0.217 0.000 0.413 161 N N -0.656 117.932 118.700 -0.186 0.000 2.188 161 N HA -0.268 nan 4.740 nan 0.000 0.184 161 N C 2.385 177.872 175.510 -0.038 0.000 1.018 161 N CA 3.012 56.013 53.050 -0.083 0.000 0.858 161 N CB -0.762 37.688 38.487 -0.062 0.000 0.989 161 N HN -0.162 8.111 8.380 -0.179 0.000 0.426 162 D N 1.158 121.529 120.400 -0.048 0.000 2.144 162 D HA -0.179 nan 4.640 nan 0.000 0.200 162 D C 2.341 178.637 176.300 -0.007 0.000 0.978 162 D CA 3.312 57.304 54.000 -0.014 0.000 0.833 162 D CB -0.003 40.802 40.800 0.010 0.000 0.961 162 D HN -0.376 7.950 8.370 -0.072 0.000 0.470 163 L N -1.071 120.123 121.223 -0.048 0.000 2.093 163 L HA -0.387 nan 4.340 nan 0.000 0.208 163 L C 2.125 179.061 176.870 0.110 0.000 1.085 163 L CA 2.977 57.835 54.840 0.030 0.000 0.755 163 L CB -0.272 41.804 42.059 0.028 0.000 0.904 163 L HN -0.374 7.773 8.230 -0.138 0.000 0.435 164 Q N -1.576 118.309 119.800 0.142 0.000 2.119 164 Q HA -0.317 nan 4.340 nan 0.000 0.201 164 Q C 2.884 178.918 176.000 0.057 0.000 0.972 164 Q CA 2.956 58.833 55.803 0.124 0.000 0.847 164 Q CB -0.260 28.554 28.738 0.127 0.000 0.903 164 Q HN -0.292 7.960 8.270 0.114 0.086 0.433 165 A N 0.211 123.055 122.820 0.040 0.000 1.972 165 A HA -0.185 nan 4.320 nan 0.000 0.219 165 A C 1.186 178.786 177.584 0.027 0.000 1.169 165 A CA 2.576 54.629 52.037 0.027 0.000 0.635 165 A CB -0.524 18.489 19.000 0.021 0.000 0.810 165 A HN -0.353 7.734 8.150 0.037 0.085 0.446 166 I N -4.629 115.964 120.570 0.038 0.000 2.676 166 I HA -0.197 nan 4.170 nan 0.000 0.259 166 I C 0.459 176.581 176.117 0.008 0.000 1.194 166 I CA 1.533 62.856 61.300 0.039 0.000 1.473 166 I CB 0.411 38.465 38.000 0.090 0.000 1.096 166 I HN -0.331 7.796 8.210 0.047 0.112 0.443 167 G N -2.497 106.307 108.800 0.007 0.000 2.227 167 G HA2 -0.270 nan 3.960 nan 0.000 0.168 167 G HA3 -0.270 nan 3.960 nan 0.000 0.168 167 G C -0.848 174.026 174.900 -0.043 0.000 1.006 167 G CA -0.456 44.631 45.100 -0.022 0.000 0.684 167 G HN -0.749 7.388 8.290 0.027 0.170 0.489 168 V N 0.176 120.068 119.914 -0.036 0.000 2.599 168 V HA -0.238 nan 4.120 nan 0.000 0.300 168 V C 0.314 176.338 176.094 -0.117 0.000 1.034 168 V CA 1.399 63.633 62.300 -0.110 0.000 1.115 168 V CB -0.167 31.571 31.823 -0.142 0.000 0.934 168 V HN -0.322 7.873 8.190 0.008 0.000 0.485 169 K N 6.406 126.737 120.400 -0.114 0.000 2.354 169 K HA 0.241 nan 4.320 nan 0.000 0.194 169 K C -0.878 175.666 176.600 -0.093 0.000 1.038 169 K CA -0.741 55.522 56.287 -0.040 0.000 1.052 169 K CB 1.422 33.944 32.500 0.036 0.000 0.861 169 K HN 0.167 8.356 8.250 -0.103 0.000 0.535 170 G N -4.193 104.417 108.800 -0.317 0.000 2.660 170 G HA2 0.687 nan 3.960 nan 0.000 0.290 170 G HA3 0.687 nan 3.960 nan 0.000 0.290 170 G C -2.829 171.481 174.900 -0.983 0.000 1.432 170 G CA 0.050 44.824 45.100 -0.543 0.000 0.807 170 G HN -0.775 7.293 8.290 -0.370 0.000 0.485 171 F N -3.053 116.738 119.950 -0.265 0.000 2.591 171 F HA 0.622 nan 4.527 nan 0.000 0.309 171 F C -2.190 173.345 175.800 -0.442 0.000 1.098 171 F CA -1.164 56.707 58.000 -0.216 0.000 0.937 171 F CB 5.211 44.129 39.000 -0.138 0.000 1.250 171 F HN 0.655 8.779 8.300 -0.293 0.000 0.447 172 R N 1.384 121.736 120.500 -0.247 0.000 2.255 172 R HA 0.585 nan 4.340 nan 0.000 0.326 172 R C -1.269 174.966 176.300 -0.107 0.000 0.986 172 R CA -1.541 54.121 56.100 -0.730 0.000 0.847 172 R CB 2.118 32.009 30.300 -0.682 0.000 1.111 172 R HN 0.549 8.706 8.270 -0.013 0.106 0.452 173 F N 7.690 127.479 119.950 -0.268 0.000 2.368 173 F HA 0.306 nan 4.527 nan 0.000 0.362 173 F C -0.372 175.390 175.800 -0.064 0.000 1.137 173 F CA -3.752 54.186 58.000 -0.104 0.000 1.161 173 F CB -0.896 38.061 39.000 -0.071 0.000 1.265 173 F HN 0.798 8.889 8.300 -0.349 0.000 0.530 174 D N 5.301 125.818 120.400 0.194 0.000 2.414 174 D HA -0.074 nan 4.640 nan 0.000 0.242 174 D C 0.045 176.446 176.300 0.167 0.000 1.129 174 D CA 0.776 54.895 54.000 0.197 0.000 0.885 174 D CB 1.494 42.474 40.800 0.299 0.000 1.198 174 D HN 0.223 8.718 8.370 0.208 0.000 0.437 175 A N 4.683 127.616 122.820 0.187 0.000 2.745 175 A HA -0.435 nan 4.320 nan 0.000 0.296 175 A C 1.084 178.782 177.584 0.190 0.000 1.500 175 A CA 1.075 53.253 52.037 0.236 0.000 0.766 175 A CB -1.725 17.442 19.000 0.278 0.000 1.030 175 A HN 0.572 9.153 8.150 0.184 -0.321 0.489 176 S N 0.150 115.889 115.700 0.065 0.000 2.399 176 S HA -0.357 nan 4.470 nan 0.000 0.231 176 S C 1.672 176.175 174.600 -0.161 0.000 1.022 176 S CA 4.160 62.327 58.200 -0.056 0.000 0.983 176 S CB -0.066 63.026 63.200 -0.180 0.000 0.803 176 S HN -0.090 8.259 8.310 0.064 0.000 0.480 177 K N 1.359 121.646 120.400 -0.189 0.000 2.211 177 K HA -0.287 nan 4.320 nan 0.000 0.204 177 K C 0.865 177.391 176.600 -0.123 0.000 1.047 177 K CA 2.217 58.399 56.287 -0.175 0.000 0.935 177 K CB -0.122 32.245 32.500 -0.220 0.000 0.728 177 K HN -0.806 7.352 8.250 -0.119 0.020 0.452 178 H N -3.286 115.835 119.070 0.085 0.000 2.536 178 H HA 0.035 nan 4.556 nan 0.000 0.276 178 H C -0.494 174.888 175.328 0.089 0.000 1.019 178 H CA 0.407 56.506 56.048 0.085 0.000 1.159 178 H CB 0.002 29.817 29.762 0.088 0.000 1.373 178 H HN -0.621 7.632 8.280 0.190 0.140 0.584 179 V N 0.021 120.047 119.914 0.188 0.000 2.577 179 V HA 0.154 nan 4.120 nan 0.000 0.303 179 V C -1.649 174.568 176.094 0.206 0.000 1.042 179 V CA -1.548 60.850 62.300 0.164 0.000 0.872 179 V CB 2.869 34.763 31.823 0.119 0.000 0.998 179 V HN -0.373 7.734 8.190 0.186 0.194 0.423 180 A N 5.604 128.498 122.820 0.123 0.000 2.546 180 A HA -0.012 nan 4.320 nan 0.000 0.243 180 A C 0.743 178.364 177.584 0.060 0.000 1.063 180 A CA 0.588 52.670 52.037 0.075 0.000 0.757 180 A CB 0.637 19.657 19.000 0.034 0.000 0.991 180 A HN 0.657 8.866 8.150 0.098 0.000 0.503 181 A N 2.603 125.370 122.820 -0.089 0.000 1.986 181 A HA -0.359 nan 4.320 nan 0.000 0.220 181 A C 1.569 179.119 177.584 -0.056 0.000 1.171 181 A CA 2.946 54.865 52.037 -0.196 0.000 0.640 181 A CB -0.710 17.977 19.000 -0.521 0.000 0.811 181 A HN 0.778 8.831 8.150 -0.162 0.000 0.451 182 S N -3.020 112.653 115.700 -0.044 0.000 2.402 182 S HA -0.331 nan 4.470 nan 0.000 0.229 182 S C 1.571 176.174 174.600 0.005 0.000 1.021 182 S CA 2.987 61.177 58.200 -0.017 0.000 0.974 182 S CB -0.807 62.384 63.200 -0.014 0.000 0.800 182 S HN 0.030 8.287 8.310 -0.055 0.019 0.484 183 D N 3.382 123.792 120.400 0.017 0.000 2.144 183 D HA -0.126 nan 4.640 nan 0.000 0.200 183 D C 2.382 178.687 176.300 0.009 0.000 0.978 183 D CA 3.053 57.062 54.000 0.014 0.000 0.833 183 D CB -0.327 40.486 40.800 0.022 0.000 0.961 183 D HN -0.470 7.786 8.370 0.022 0.127 0.470 184 I N 0.079 120.674 120.570 0.042 0.000 2.315 184 I HA -0.548 nan 4.170 nan 0.000 0.248 184 I C 1.819 177.977 176.117 0.068 0.000 1.117 184 I CA 3.873 65.214 61.300 0.069 0.000 1.404 184 I CB -0.232 37.881 38.000 0.189 0.000 1.071 184 I HN -0.449 7.722 8.210 0.063 0.077 0.419 185 Q N -0.381 119.448 119.800 0.048 0.000 2.124 185 Q HA -0.375 nan 4.340 nan 0.000 0.202 185 Q C 2.767 178.778 176.000 0.018 0.000 0.977 185 Q CA 3.510 59.333 55.803 0.033 0.000 0.850 185 Q CB -0.251 28.495 28.738 0.013 0.000 0.901 185 Q HN -0.044 8.167 8.270 0.038 0.082 0.429 186 S N 0.177 115.881 115.700 0.007 0.000 2.368 186 S HA -0.293 nan 4.470 nan 0.000 0.224 186 S C 1.706 176.297 174.600 -0.014 0.000 1.029 186 S CA 3.479 61.677 58.200 -0.004 0.000 0.988 186 S CB -0.205 62.991 63.200 -0.007 0.000 0.838 186 S HN -0.564 7.751 8.310 0.008 0.000 0.462 187 L N 0.972 122.181 121.223 -0.023 0.000 2.012 187 L HA -0.274 nan 4.340 nan 0.000 0.210 187 L C 1.931 178.786 176.870 -0.025 0.000 1.073 187 L CA 2.948 57.758 54.840 -0.050 0.000 0.748 187 L CB -0.041 41.961 42.059 -0.095 0.000 0.891 187 L HN -0.373 7.846 8.230 -0.018 0.000 0.431 188 M N -2.559 117.053 119.600 0.019 0.000 2.279 188 M HA -0.305 nan 4.480 nan 0.000 0.264 188 M C 2.509 178.812 176.300 0.005 0.000 1.062 188 M CA 1.558 56.878 55.300 0.034 0.000 1.099 188 M CB -1.916 30.724 32.600 0.066 0.000 1.394 188 M HN 0.124 8.434 8.290 0.034 0.000 0.426 189 A N -1.358 121.462 122.820 -0.001 0.000 2.121 189 A HA -0.160 nan 4.320 nan 0.000 0.218 189 A C 0.868 178.443 177.584 -0.015 0.000 1.154 189 A CA 2.315 54.348 52.037 -0.007 0.000 0.679 189 A CB -0.851 18.145 19.000 -0.005 0.000 0.795 189 A HN -0.301 7.717 8.150 0.001 0.133 0.458 190 K N -4.818 115.566 120.400 -0.025 0.000 2.367 190 K HA 0.082 nan 4.320 nan 0.000 0.194 190 K C -1.058 175.515 176.600 -0.045 0.000 1.027 190 K CA -0.203 56.063 56.287 -0.036 0.000 1.075 190 K CB 1.036 33.508 32.500 -0.047 0.000 0.845 190 K HN -0.369 7.685 8.250 -0.026 0.181 0.529 191 V N 0.647 120.534 119.914 -0.044 0.000 2.498 191 V HA -0.110 nan 4.120 nan 0.000 0.279 191 V C -0.014 176.058 176.094 -0.036 0.000 1.048 191 V CA -0.235 62.030 62.300 -0.058 0.000 0.967 191 V CB 0.083 31.866 31.823 -0.067 0.000 0.988 191 V HN -0.679 7.355 8.190 -0.032 0.138 0.473 192 N N 6.714 125.393 118.700 -0.035 0.000 2.483 192 N HA -0.073 nan 4.740 nan 0.000 0.264 192 N C 0.373 175.880 175.510 -0.005 0.000 1.197 192 N CA 0.658 53.698 53.050 -0.016 0.000 0.927 192 N CB 0.242 38.722 38.487 -0.012 0.000 1.065 192 N HN 0.251 8.957 8.380 -0.049 -0.356 0.461 193 G N 3.390 112.188 108.800 -0.003 0.000 2.564 193 G HA2 -0.359 nan 3.960 nan 0.000 0.273 193 G HA3 -0.359 nan 3.960 nan 0.000 0.273 193 G C -1.481 173.419 174.900 0.000 0.000 1.242 193 G CA 0.559 45.659 45.100 0.001 0.000 0.951 193 G HN 0.386 8.672 8.290 -0.006 0.000 0.564 194 S N -0.051 115.650 115.700 0.003 0.000 2.312 194 S HA 0.283 nan 4.470 nan 0.000 0.173 194 S C -2.190 172.412 174.600 0.003 0.000 1.488 194 S CA -1.629 56.570 58.200 -0.002 0.000 1.239 194 S CB 0.930 64.121 63.200 -0.014 0.000 1.215 194 S HN 0.243 8.556 8.310 0.005 0.000 0.438 195 P HA 0.247 nan 4.420 nan 0.000 0.274 195 P C -1.502 175.788 177.300 -0.017 0.000 1.256 195 P CA -0.418 62.714 63.100 0.054 0.000 0.795 195 P CB 1.122 32.955 31.700 0.222 0.000 1.038 196 V N 0.603 120.466 119.914 -0.085 0.000 2.508 196 V HA -0.002 nan 4.120 nan 0.000 0.281 196 V C -0.827 175.133 176.094 -0.222 0.000 1.041 196 V CA 0.801 62.983 62.300 -0.196 0.000 1.016 196 V CB -0.072 31.542 31.823 -0.349 0.000 0.984 196 V HN -0.054 8.090 8.190 -0.076 0.000 0.478 197 V N 6.308 126.106 119.914 -0.192 0.000 2.577 197 V HA 0.715 nan 4.120 nan 0.000 0.303 197 V C -1.707 174.297 176.094 -0.150 0.000 1.042 197 V CA -1.323 60.803 62.300 -0.291 0.000 0.872 197 V CB 2.263 33.826 31.823 -0.434 0.000 0.998 197 V HN 0.224 8.323 8.190 -0.152 0.000 0.423 198 F N 5.055 124.803 119.950 -0.337 0.000 2.540 198 F HA 0.880 nan 4.527 nan 0.000 0.317 198 F C -2.566 173.175 175.800 -0.099 0.000 1.104 198 F CA -3.079 54.824 58.000 -0.163 0.000 0.913 198 F CB 2.887 41.837 39.000 -0.084 0.000 1.170 198 F HN 0.793 8.897 8.300 -0.325 0.000 0.450 199 Q N 2.568 122.392 119.800 0.040 0.000 2.293 199 Q HA 0.348 nan 4.340 nan 0.000 0.261 199 Q C -1.481 174.578 176.000 0.099 0.000 0.960 199 Q CA -1.566 54.249 55.803 0.020 0.000 0.882 199 Q CB 2.454 31.220 28.738 0.045 0.000 1.275 199 Q HN 0.944 9.198 8.270 0.161 0.113 0.445 200 E N 5.181 125.435 120.200 0.090 0.000 2.070 200 E HA 0.227 nan 4.350 nan 0.000 0.282 200 E C -1.877 174.777 176.600 0.090 0.000 1.104 200 E CA 0.066 56.591 56.400 0.207 0.000 0.876 200 E CB 0.894 30.729 29.700 0.226 0.000 1.055 200 E HN -0.100 8.291 8.360 0.052 0.000 0.401 201 V N 7.516 127.500 119.914 0.116 0.000 2.482 201 V HA 0.274 nan 4.120 nan 0.000 0.295 201 V C -1.011 175.078 176.094 -0.009 0.000 1.026 201 V CA -1.160 61.119 62.300 -0.036 0.000 0.856 201 V CB 2.011 33.764 31.823 -0.117 0.000 1.001 201 V HN -0.048 8.309 8.190 0.279 0.000 0.424 202 I N 7.383 127.812 120.570 -0.234 0.000 2.291 202 I HA 0.064 nan 4.170 nan 0.000 0.292 202 I C -1.407 174.600 176.117 -0.183 0.000 1.064 202 I CA -0.071 60.949 61.300 -0.468 0.000 1.269 202 I CB 0.451 38.011 38.000 -0.734 0.000 1.418 202 I HN 0.187 8.273 8.210 -0.207 0.000 0.485 203 D N 8.062 128.435 120.400 -0.046 0.000 2.402 203 D HA 0.156 nan 4.640 nan 0.000 0.252 203 D C -0.889 175.435 176.300 0.040 0.000 1.294 203 D CA -1.158 52.849 54.000 0.011 0.000 0.948 203 D CB 1.273 42.112 40.800 0.064 0.000 1.202 203 D HN 0.165 8.549 8.370 0.024 0.000 0.561 204 Q N 1.921 121.733 119.800 0.020 0.000 2.247 204 Q HA 0.102 nan 4.340 nan 0.000 0.204 204 Q C 0.667 176.700 176.000 0.054 0.000 0.872 204 Q CA -0.529 55.302 55.803 0.046 0.000 0.951 204 Q CB 0.518 29.276 28.738 0.033 0.000 1.099 204 Q HN 0.295 8.557 8.270 -0.013 0.000 0.501 205 G N -0.383 108.448 108.800 0.051 0.000 2.650 205 G HA2 -0.186 nan 3.960 nan 0.000 0.686 205 G HA3 -0.186 nan 3.960 nan 0.000 0.686 205 G C -0.582 174.343 174.900 0.042 0.000 1.205 205 G CA -0.651 44.480 45.100 0.053 0.000 0.781 205 G HN -0.105 8.419 8.290 0.045 -0.207 0.648 206 G N 0.081 108.907 108.800 0.044 0.000 2.176 206 G HA2 -0.382 nan 3.960 nan 0.000 0.252 206 G HA3 -0.382 nan 3.960 nan 0.000 0.252 206 G C -0.732 174.199 174.900 0.052 0.000 1.024 206 G CA -0.109 45.016 45.100 0.042 0.000 0.755 206 G HN 0.193 8.511 8.290 0.046 0.000 0.507 207 E N -0.743 119.492 120.200 0.059 0.000 2.222 207 E HA 0.195 nan 4.350 nan 0.000 0.272 207 E C -0.602 176.042 176.600 0.074 0.000 0.982 207 E CA -1.221 55.226 56.400 0.078 0.000 0.842 207 E CB 1.681 31.427 29.700 0.077 0.000 1.144 207 E HN -0.586 7.778 8.360 0.056 0.029 0.397 208 A N 2.221 125.089 122.820 0.080 0.000 1.970 208 A HA -0.002 nan 4.320 nan 0.000 0.216 208 A C -0.922 176.697 177.584 0.060 0.000 1.170 208 A CA 2.233 54.305 52.037 0.059 0.000 0.645 208 A CB 0.918 19.946 19.000 0.047 0.000 0.816 208 A HN 0.853 9.064 8.150 0.101 0.000 0.447 209 V N -3.154 116.806 119.914 0.077 0.000 2.347 209 V HA 0.225 nan 4.120 nan 0.000 0.280 209 V C -0.272 175.898 176.094 0.125 0.000 1.021 209 V CA -0.776 61.583 62.300 0.097 0.000 0.847 209 V CB -0.383 31.502 31.823 0.102 0.000 0.990 209 V HN -0.336 7.887 8.190 0.087 0.019 0.444 210 G N 4.369 113.247 108.800 0.131 0.000 2.410 210 G HA2 0.437 nan 3.960 nan 0.000 0.330 210 G HA3 0.437 nan 3.960 nan 0.000 0.330 210 G C -0.478 174.559 174.900 0.228 0.000 1.142 210 G CA -1.352 43.833 45.100 0.141 0.000 0.902 210 G HN -0.116 8.538 8.290 0.103 -0.302 0.491 211 A N 3.154 126.097 122.820 0.206 0.000 1.940 211 A HA -0.242 nan 4.320 nan 0.000 0.219 211 A C 1.913 179.661 177.584 0.274 0.000 1.176 211 A CA 2.989 55.179 52.037 0.255 0.000 0.631 211 A CB -0.074 19.033 19.000 0.177 0.000 0.814 211 A HN 0.299 8.878 8.150 0.153 -0.338 0.446 212 S N -2.298 113.506 115.700 0.174 0.000 2.469 212 S HA -0.296 nan 4.470 nan 0.000 0.238 212 S C 2.254 176.899 174.600 0.076 0.000 0.998 212 S CA 2.985 61.258 58.200 0.121 0.000 0.957 212 S CB -0.859 62.392 63.200 0.085 0.000 0.764 212 S HN 0.324 8.703 8.310 0.150 0.020 0.514 213 E N 2.282 122.507 120.200 0.041 0.000 2.338 213 E HA -0.194 nan 4.350 nan 0.000 0.197 213 E C 1.396 177.804 176.600 -0.320 0.000 1.007 213 E CA 2.145 58.439 56.400 -0.176 0.000 0.849 213 E CB -0.047 29.458 29.700 -0.326 0.000 0.774 213 E HN -0.523 7.748 8.360 0.116 0.159 0.506 214 Y N -4.211 116.124 120.300 0.059 0.000 2.458 214 Y HA 0.078 nan 4.550 nan 0.000 0.256 214 Y C 0.518 176.453 175.900 0.059 0.000 1.159 214 Y CA -0.191 57.949 58.100 0.068 0.000 1.261 214 Y CB 0.104 38.617 38.460 0.089 0.000 1.119 214 Y HN -0.341 7.954 8.280 0.286 0.157 0.524 215 L N -1.069 120.239 121.223 0.142 0.000 2.265 215 L HA -0.338 nan 4.340 nan 0.000 0.215 215 L C 1.200 178.105 176.870 0.060 0.000 1.117 215 L CA 2.387 57.285 54.840 0.096 0.000 0.782 215 L CB -0.686 41.415 42.059 0.071 0.000 0.914 215 L HN -0.858 7.384 8.230 0.114 0.057 0.441 216 S N -4.011 111.715 115.700 0.044 0.000 2.528 216 S HA -0.025 nan 4.470 nan 0.000 0.219 216 S C 0.879 175.501 174.600 0.037 0.000 0.985 216 S CA 1.827 60.042 58.200 0.026 0.000 0.914 216 S CB 0.236 63.440 63.200 0.007 0.000 0.776 216 S HN -0.010 8.288 8.310 0.036 0.034 0.526 217 T N -4.683 109.913 114.554 0.071 0.000 3.069 217 T HA 0.298 nan 4.350 nan 0.000 0.252 217 T C 0.434 175.169 174.700 0.058 0.000 1.053 217 T CA -0.416 61.736 62.100 0.085 0.000 0.964 217 T CB 0.340 69.298 68.868 0.150 0.000 1.005 217 T HN -0.432 7.827 8.240 0.095 0.039 0.532 218 G N 0.889 109.718 108.800 0.049 0.000 2.352 218 G HA2 -0.119 nan 3.960 nan 0.000 0.283 218 G HA3 -0.119 nan 3.960 nan 0.000 0.283 218 G C -2.274 172.652 174.900 0.044 0.000 1.308 218 G CA 0.020 45.127 45.100 0.010 0.000 0.892 218 G HN -0.781 7.502 8.290 0.066 0.046 0.504 219 L N -0.115 121.135 121.223 0.045 0.000 2.464 219 L HA 0.469 nan 4.340 nan 0.000 0.264 219 L C -0.790 176.172 176.870 0.152 0.000 1.199 219 L CA 0.692 55.583 54.840 0.085 0.000 0.818 219 L CB 0.765 42.877 42.059 0.089 0.000 1.102 219 L HN 0.231 8.471 8.230 0.018 0.000 0.473 220 V N -0.686 119.320 119.914 0.153 0.000 2.656 220 V HA 0.535 nan 4.120 nan 0.000 0.307 220 V C -0.164 176.051 176.094 0.203 0.000 1.051 220 V CA -1.669 60.745 62.300 0.189 0.000 0.893 220 V CB 3.038 34.966 31.823 0.174 0.000 0.999 220 V HN 0.813 9.071 8.190 0.113 0.000 0.426 221 T N 3.195 117.924 114.554 0.291 0.000 2.817 221 T HA 0.066 nan 4.350 nan 0.000 0.295 221 T C -0.164 174.648 174.700 0.186 0.000 0.958 221 T CA -0.660 61.606 62.100 0.278 0.000 1.157 221 T CB -0.182 68.979 68.868 0.489 0.000 0.898 221 T HN 0.478 8.913 8.240 0.324 0.000 0.536 222 E N 7.670 127.844 120.200 -0.045 0.000 1.998 222 E HA 0.165 nan 4.350 nan 0.000 0.257 222 E C 0.054 176.508 176.600 -0.245 0.000 1.038 222 E CA -2.554 53.800 56.400 -0.078 0.000 0.869 222 E CB -0.464 29.188 29.700 -0.080 0.000 1.135 222 E HN 0.169 8.441 8.360 -0.147 0.000 0.430 223 F N 6.134 125.990 119.950 -0.156 0.000 2.451 223 F HA -0.307 nan 4.527 nan 0.000 0.299 223 F C 1.042 176.733 175.800 -0.182 0.000 1.101 223 F CA 3.092 61.010 58.000 -0.137 0.000 1.436 223 F CB -0.041 38.973 39.000 0.024 0.000 1.074 223 F HN -0.097 8.466 8.300 0.440 0.000 0.553 224 K N -0.184 120.134 120.400 -0.137 0.000 2.211 224 K HA -0.398 nan 4.320 nan 0.000 0.203 224 K C 1.741 178.053 176.600 -0.481 0.000 1.050 224 K CA 3.080 59.204 56.287 -0.271 0.000 0.945 224 K CB -0.423 31.845 32.500 -0.388 0.000 0.732 224 K HN -0.255 8.149 8.250 -0.136 -0.236 0.451 225 Y N 0.478 120.270 120.300 -0.847 0.000 2.145 225 Y HA -0.433 nan 4.550 nan 0.000 0.286 225 Y C 1.690 177.495 175.900 -0.157 0.000 1.145 225 Y CA 3.718 61.455 58.100 -0.604 0.000 1.148 225 Y CB -0.097 38.043 38.460 -0.533 0.000 0.981 225 Y HN -0.582 7.319 8.280 -0.582 0.029 0.507 226 S N -2.267 113.432 115.700 -0.001 0.000 2.356 226 S HA -0.390 nan 4.470 nan 0.000 0.223 226 S C 2.362 177.024 174.600 0.104 0.000 1.032 226 S CA 3.939 62.176 58.200 0.062 0.000 1.005 226 S CB -0.163 63.041 63.200 0.007 0.000 0.867 226 S HN -0.037 8.152 8.310 -0.202 0.000 0.449 227 T N 4.941 119.556 114.554 0.102 0.000 2.737 227 T HA -0.239 nan 4.350 nan 0.000 0.265 227 T C 2.436 177.233 174.700 0.163 0.000 1.038 227 T CA 4.872 67.053 62.100 0.136 0.000 1.144 227 T CB -0.461 68.491 68.868 0.140 0.000 0.866 227 T HN -0.517 7.763 8.240 0.067 0.000 0.434 228 E N 1.298 121.620 120.200 0.203 0.000 2.072 228 E HA -0.189 nan 4.350 nan 0.000 0.190 228 E C 2.288 179.013 176.600 0.208 0.000 0.982 228 E CA 2.391 58.994 56.400 0.339 0.000 0.803 228 E CB -0.738 29.330 29.700 0.613 0.000 0.755 228 E HN 0.038 8.485 8.360 0.146 0.000 0.453 229 L N -0.320 120.962 121.223 0.099 0.000 1.994 229 L HA -0.290 nan 4.340 nan 0.000 0.208 229 L C 1.878 178.776 176.870 0.045 0.000 1.071 229 L CA 3.236 58.017 54.840 -0.099 0.000 0.745 229 L CB -0.395 41.587 42.059 -0.128 0.000 0.892 229 L HN 0.167 8.477 8.230 0.134 0.000 0.431 230 G N -2.925 105.921 108.800 0.077 0.000 2.442 230 G HA2 -0.486 nan 3.960 nan 0.000 0.219 230 G HA3 -0.486 nan 3.960 nan 0.000 0.219 230 G C 0.985 175.959 174.900 0.123 0.000 1.141 230 G CA 2.265 47.425 45.100 0.099 0.000 0.763 230 G HN -0.122 8.217 8.290 0.082 0.000 0.554 231 N N 0.003 118.785 118.700 0.136 0.000 2.270 231 N HA -0.131 nan 4.740 nan 0.000 0.181 231 N C 2.343 177.930 175.510 0.129 0.000 1.016 231 N CA 2.849 55.987 53.050 0.145 0.000 0.870 231 N CB 0.297 38.895 38.487 0.185 0.000 0.979 231 N HN -0.171 8.203 8.380 0.146 0.094 0.431 232 T N 3.008 117.629 114.554 0.111 0.000 2.812 232 T HA -0.180 nan 4.350 nan 0.000 0.264 232 T C 2.372 176.956 174.700 -0.193 0.000 1.042 232 T CA 4.618 66.709 62.100 -0.017 0.000 1.140 232 T CB -0.455 68.371 68.868 -0.070 0.000 0.870 232 T HN -0.065 8.154 8.240 0.119 0.093 0.445 233 F N 2.110 121.930 119.950 -0.218 0.000 2.234 233 F HA -0.308 nan 4.527 nan 0.000 0.299 233 F C 0.657 176.356 175.800 -0.168 0.000 1.087 233 F CA 4.006 61.863 58.000 -0.238 0.000 1.340 233 F CB 0.096 38.967 39.000 -0.216 0.000 1.031 233 F HN -0.073 8.325 8.300 0.164 0.000 0.500 234 R N -4.796 115.751 120.500 0.078 0.000 2.075 234 R HA -0.097 nan 4.340 nan 0.000 0.220 234 R C 1.619 177.928 176.300 0.015 0.000 1.118 234 R CA 2.282 58.421 56.100 0.064 0.000 0.986 234 R CB 0.734 31.088 30.300 0.090 0.000 0.884 234 R HN -0.499 7.815 8.270 0.103 0.018 0.439 235 N N -3.632 115.069 118.700 0.002 0.000 2.171 235 N HA 0.128 nan 4.740 nan 0.000 0.212 235 N C -0.479 174.988 175.510 -0.070 0.000 1.184 235 N CA 0.221 53.269 53.050 -0.003 0.000 0.888 235 N CB 2.295 40.816 38.487 0.057 0.000 1.038 235 N HN -0.123 8.163 8.380 0.020 0.106 0.517 236 G N 0.182 108.849 108.800 -0.222 0.000 3.212 236 G HA2 0.312 nan 3.960 nan 0.000 0.188 236 G HA3 0.312 nan 3.960 nan 0.000 0.188 236 G C -2.201 172.148 174.900 -0.920 0.000 1.254 236 G CA -1.164 43.557 45.100 -0.632 0.000 0.957 236 G HN -0.423 7.645 8.290 -0.199 0.103 0.596 237 S N -0.690 114.016 115.700 -1.655 0.000 2.482 237 S HA 0.289 nan 4.470 nan 0.000 0.303 237 S C 1.003 175.029 174.600 -0.957 0.000 1.091 237 S CA -1.096 56.378 58.200 -1.209 0.000 1.057 237 S CB 1.858 64.309 63.200 -1.248 0.000 1.031 237 S HN -0.206 6.358 8.310 -2.909 0.000 0.485 238 L N 4.775 125.593 121.223 -0.675 0.000 2.201 238 L HA -0.281 nan 4.340 nan 0.000 0.212 238 L C 1.314 178.046 176.870 -0.230 0.000 1.105 238 L CA 2.898 57.395 54.840 -0.572 0.000 0.775 238 L CB -0.669 41.030 42.059 -0.599 0.000 0.913 238 L HN 0.495 8.599 8.230 -0.618 -0.244 0.440 239 A N 0.100 122.816 122.820 -0.173 0.000 2.024 239 A HA -0.195 nan 4.320 nan 0.000 0.220 239 A C 1.950 179.678 177.584 0.240 0.000 1.164 239 A CA 2.893 55.001 52.037 0.118 0.000 0.643 239 A CB -1.118 17.898 19.000 0.026 0.000 0.806 239 A HN 0.016 7.933 8.150 -0.335 0.032 0.451 240 W N -3.258 118.037 121.300 -0.007 0.000 2.465 240 W HA -0.137 nan 4.660 nan 0.000 0.268 240 W C 1.106 177.694 176.519 0.114 0.000 1.242 240 W CA 0.605 57.983 57.345 0.054 0.000 1.248 240 W CB -1.036 28.497 29.460 0.122 0.000 1.118 240 W HN -0.552 7.409 8.180 -0.124 0.145 0.587 241 L N -3.269 118.000 121.223 0.077 0.000 2.622 241 L HA -0.235 nan 4.340 nan 0.000 0.233 241 L C 1.906 178.522 176.870 -0.423 0.000 1.156 241 L CA 1.102 55.766 54.840 -0.294 0.000 0.866 241 L CB -1.262 40.361 42.059 -0.726 0.000 0.980 241 L HN -0.427 7.662 8.230 0.029 0.158 0.448 242 S N 1.650 116.931 115.700 -0.698 0.000 2.440 242 S HA -0.291 nan 4.470 nan 0.000 0.238 242 S C 0.728 174.981 174.600 -0.578 0.000 1.010 242 S CA 2.630 59.952 58.200 -1.464 0.000 0.972 242 S CB -0.069 62.205 63.200 -1.542 0.000 0.774 242 S HN -0.203 7.812 8.310 -0.362 0.077 0.501 243 N N -1.350 117.245 118.700 -0.174 0.000 2.365 243 N HA 0.105 nan 4.740 nan 0.000 0.257 243 N C -1.746 173.815 175.510 0.085 0.000 1.287 243 N CA -1.603 51.458 53.050 0.019 0.000 0.882 243 N CB -0.119 38.389 38.487 0.034 0.000 1.250 243 N HN -0.691 7.602 8.380 -0.070 0.045 0.507 244 F N 2.479 122.218 119.950 -0.352 0.000 2.629 244 F HA -0.249 nan 4.527 nan 0.000 0.377 244 F C 0.009 175.514 175.800 -0.492 0.000 1.101 244 F CA 2.019 59.492 58.000 -0.878 0.000 1.301 244 F CB 0.557 38.983 39.000 -0.957 0.000 1.062 244 F HN -0.499 7.650 8.300 -0.074 0.107 0.583 245 G N 5.148 113.204 108.800 -1.241 0.000 2.317 245 G HA2 -0.256 nan 3.960 nan 0.000 0.196 245 G HA3 -0.256 nan 3.960 nan 0.000 0.196 245 G C -0.043 174.439 174.900 -0.697 0.000 1.255 245 G CA 0.187 44.675 45.100 -1.021 0.000 1.243 245 G HN -0.021 7.017 8.290 -2.087 0.000 0.535 246 E N 4.643 124.738 120.200 -0.176 0.000 2.160 246 E HA -0.308 nan 4.350 nan 0.000 0.195 246 E C 2.589 179.143 176.600 -0.076 0.000 0.991 246 E CA 2.964 59.346 56.400 -0.030 0.000 0.810 246 E CB -0.201 29.544 29.700 0.075 0.000 0.742 246 E HN 0.486 8.827 8.360 -0.031 0.000 0.466 247 G N -1.264 107.491 108.800 -0.075 0.000 2.448 247 G HA2 -0.223 nan 3.960 nan 0.000 0.219 247 G HA3 -0.223 nan 3.960 nan 0.000 0.219 247 G C 0.153 175.054 174.900 0.001 0.000 1.127 247 G CA 1.154 46.248 45.100 -0.010 0.000 0.766 247 G HN 0.279 8.493 8.290 -0.085 0.025 0.552 248 W N 0.260 121.259 121.300 -0.503 0.000 3.290 248 W HA 0.189 nan 4.660 nan 0.000 0.287 248 W C -0.180 176.117 176.519 -0.369 0.000 1.288 248 W CA -1.184 55.844 57.345 -0.528 0.000 1.725 248 W CB -0.134 28.780 29.460 -0.910 0.000 1.103 248 W HN -0.558 7.322 8.180 -0.251 0.149 0.670 249 G N -2.638 106.121 108.800 -0.068 0.000 2.159 249 G HA2 -0.356 nan 3.960 nan 0.000 0.227 249 G HA3 -0.356 nan 3.960 nan 0.000 0.227 249 G C -0.215 174.836 174.900 0.251 0.000 0.986 249 G CA -0.303 44.844 45.100 0.080 0.000 0.651 249 G HN -0.349 7.663 8.290 -0.112 0.211 0.523 250 F N -0.034 119.921 119.950 0.009 0.000 2.435 250 F HA 0.173 nan 4.527 nan 0.000 0.316 250 F C 0.732 176.594 175.800 0.103 0.000 1.220 250 F CA -1.411 56.598 58.000 0.015 0.000 1.241 250 F CB 0.612 39.520 39.000 -0.154 0.000 1.234 250 F HN -0.772 7.435 8.300 -0.155 0.000 0.569 251 M N -0.224 119.592 119.600 0.360 0.000 2.113 251 M HA 0.341 nan 4.480 nan 0.000 0.288 251 M C -1.505 174.969 176.300 0.289 0.000 1.225 251 M CA -0.451 55.002 55.300 0.254 0.000 1.148 251 M CB -0.764 31.951 32.600 0.191 0.000 1.388 251 M HN 0.599 9.443 8.290 0.347 -0.345 0.469 252 P HA -0.092 nan 4.420 nan 0.000 0.266 252 P C 0.256 177.570 177.300 0.024 0.000 1.195 252 P CA 0.577 63.747 63.100 0.117 0.000 0.768 252 P CB 0.086 31.812 31.700 0.045 0.000 0.838 253 S N 5.466 121.141 115.700 -0.042 0.000 2.365 253 S HA -0.383 nan 4.470 nan 0.000 0.225 253 S C 1.563 175.924 174.600 -0.399 0.000 1.039 253 S CA 3.720 61.642 58.200 -0.463 0.000 1.033 253 S CB -0.100 62.942 63.200 -0.263 0.000 0.887 253 S HN 0.161 8.797 8.310 0.085 -0.275 0.447 254 S N -0.425 115.126 115.700 -0.248 0.000 2.547 254 S HA -0.113 nan 4.470 nan 0.000 0.235 254 S C 1.033 175.533 174.600 -0.166 0.000 0.980 254 S CA 2.423 60.484 58.200 -0.231 0.000 0.941 254 S CB -0.577 62.509 63.200 -0.189 0.000 0.763 254 S HN 0.322 8.524 8.310 -0.181 0.000 0.532 255 S N 0.774 116.400 115.700 -0.123 0.000 2.512 255 S HA 0.109 nan 4.470 nan 0.000 0.216 255 S C -1.870 172.708 174.600 -0.037 0.000 1.006 255 S CA 0.271 58.439 58.200 -0.053 0.000 0.915 255 S CB 1.042 64.243 63.200 0.002 0.000 0.824 255 S HN -0.346 7.697 8.310 -0.132 0.187 0.497 256 A N 0.476 123.228 122.820 -0.114 0.000 2.301 256 A HA 0.520 nan 4.320 nan 0.000 0.312 256 A C -1.859 175.663 177.584 -0.102 0.000 1.182 256 A CA -0.922 51.055 52.037 -0.099 0.000 0.826 256 A CB 1.544 20.465 19.000 -0.131 0.000 1.134 256 A HN -0.651 7.264 8.150 -0.209 0.110 0.501 257 V N 4.145 124.033 119.914 -0.044 0.000 2.370 257 V HA 0.550 nan 4.120 nan 0.000 0.283 257 V C -1.121 174.863 176.094 -0.184 0.000 1.023 257 V CA -0.479 61.786 62.300 -0.059 0.000 0.857 257 V CB 1.046 32.847 31.823 -0.038 0.000 0.985 257 V HN 0.098 8.292 8.190 0.007 0.000 0.443 258 V N 0.819 120.552 119.914 -0.302 0.000 3.046 258 V HA 0.989 nan 4.120 nan 0.000 0.316 258 V C -2.306 173.538 176.094 -0.417 0.000 1.104 258 V CA -3.619 58.290 62.300 -0.652 0.000 1.006 258 V CB 3.018 34.210 31.823 -1.053 0.000 1.058 258 V HN 0.028 8.085 8.190 -0.222 0.000 0.440 259 F N -4.171 115.608 119.950 -0.285 0.000 2.770 259 F HA 0.453 nan 4.527 nan 0.000 0.313 259 F C -0.868 174.959 175.800 0.044 0.000 1.154 259 F CA -0.764 57.151 58.000 -0.142 0.000 0.923 259 F CB 1.267 40.150 39.000 -0.196 0.000 1.301 259 F HN -0.145 7.592 8.300 -0.938 0.000 0.449 260 V N -1.771 118.311 119.914 0.279 0.000 2.446 260 V HA -0.070 nan 4.120 nan 0.000 0.244 260 V C -0.777 175.508 176.094 0.320 0.000 1.039 260 V CA 2.827 65.257 62.300 0.217 0.000 1.045 260 V CB -0.110 31.721 31.823 0.013 0.000 0.681 260 V HN 0.805 9.127 8.190 0.220 0.000 0.459 261 D N -5.314 115.309 120.400 0.371 0.000 2.622 261 D HA 0.243 nan 4.640 nan 0.000 0.255 261 D C -2.062 174.243 176.300 0.009 0.000 1.246 261 D CA -1.245 52.920 54.000 0.275 0.000 0.795 261 D CB 2.904 43.826 40.800 0.203 0.000 1.369 261 D HN -0.690 7.878 8.370 0.329 0.000 0.425 262 N N -1.521 117.064 118.700 -0.192 0.000 2.831 262 N HA 0.203 nan 4.740 nan 0.000 0.276 262 N C 0.306 175.636 175.510 -0.300 0.000 1.416 262 N CA -1.616 51.191 53.050 -0.405 0.000 0.799 262 N CB 2.482 40.413 38.487 -0.926 0.000 1.554 262 N HN 0.439 9.160 8.380 -0.072 -0.384 0.541 263 H N -2.311 116.499 119.070 -0.434 0.000 2.456 263 H HA -0.258 nan 4.556 nan 0.000 0.296 263 H C 0.983 175.937 175.328 -0.624 0.000 1.079 263 H CA 3.936 59.508 56.048 -0.793 0.000 1.322 263 H CB -0.362 28.568 29.762 -1.386 0.000 1.388 263 H HN 0.537 8.826 8.280 0.016 0.000 0.538 264 D N 0.255 120.100 120.400 -0.925 0.000 2.146 264 D HA -0.151 nan 4.640 nan 0.000 0.209 264 D C 2.309 178.527 176.300 -0.136 0.000 0.973 264 D CA 3.385 57.102 54.000 -0.471 0.000 0.860 264 D CB 0.198 40.802 40.800 -0.326 0.000 1.015 264 D HN -0.575 7.313 8.370 -0.982 -0.107 0.465 265 N N -0.179 118.485 118.700 -0.060 0.000 2.520 265 N HA -0.253 nan 4.740 nan 0.000 0.185 265 N C 2.332 177.843 175.510 0.000 0.000 1.068 265 N CA 2.261 55.338 53.050 0.045 0.000 0.911 265 N CB -0.499 38.107 38.487 0.198 0.000 0.961 265 N HN 0.117 8.826 8.380 -0.079 -0.377 0.446 266 Q N -1.206 118.551 119.800 -0.070 0.000 2.451 266 Q HA 0.011 nan 4.340 nan 0.000 0.206 266 Q C 1.137 177.109 176.000 -0.046 0.000 0.947 266 Q CA 1.774 57.554 55.803 -0.038 0.000 0.937 266 Q CB -0.254 28.467 28.738 -0.028 0.000 1.025 266 Q HN -0.216 7.928 8.270 -0.146 0.038 0.511 267 R N -1.841 118.582 120.500 -0.129 0.000 2.509 267 R HA 0.189 nan 4.340 nan 0.000 0.300 267 R C -0.217 175.995 176.300 -0.147 0.000 0.985 267 R CA -0.437 55.572 56.100 -0.152 0.000 1.092 267 R CB 0.219 30.423 30.300 -0.160 0.000 1.237 267 R HN -0.282 7.725 8.270 -0.131 0.185 0.546 268 G N -0.501 108.232 108.800 -0.112 0.000 2.157 268 G HA2 -0.403 nan 3.960 nan 0.000 0.248 268 G HA3 -0.403 nan 3.960 nan 0.000 0.248 268 G C -0.341 174.419 174.900 -0.232 0.000 0.979 268 G CA 0.168 45.173 45.100 -0.158 0.000 0.650 268 G HN -0.444 7.643 8.290 -0.056 0.170 0.529 269 H N 2.341 121.407 119.070 -0.008 0.000 2.685 269 H HA 0.072 nan 4.556 nan 0.000 0.286 269 H C 0.019 175.329 175.328 -0.031 0.000 1.102 269 H CA -0.221 55.815 56.048 -0.019 0.000 1.254 269 H CB -0.648 29.109 29.762 -0.008 0.000 1.397 269 H HN -0.491 7.731 8.280 -0.017 0.048 0.473 270 G N 4.884 113.709 108.800 0.041 0.000 2.132 270 G HA2 -0.235 nan 3.960 nan 0.000 0.234 270 G HA3 -0.235 nan 3.960 nan 0.000 0.234 270 G C -1.211 173.739 174.900 0.082 0.000 0.989 270 G CA 0.020 45.114 45.100 -0.009 0.000 0.676 270 G HN 0.179 8.479 8.290 0.017 0.000 0.522 271 G N -2.453 106.391 108.800 0.073 0.000 2.752 271 G HA2 0.097 nan 3.960 nan 0.000 0.298 271 G HA3 0.097 nan 3.960 nan 0.000 0.298 271 G C -2.290 172.642 174.900 0.053 0.000 1.434 271 G CA 0.158 45.319 45.100 0.101 0.000 1.004 271 G HN -0.820 7.455 8.290 0.035 0.037 0.560 272 A N 1.752 124.606 122.820 0.057 0.000 2.450 272 A HA 0.357 nan 4.320 nan 0.000 0.281 272 A C 1.012 178.622 177.584 0.045 0.000 1.372 272 A CA -1.324 50.736 52.037 0.039 0.000 0.886 272 A CB 1.345 20.370 19.000 0.043 0.000 1.462 272 A HN 0.576 8.771 8.150 0.075 0.000 0.514 273 G N -2.725 106.098 108.800 0.039 0.000 2.509 273 G HA2 -0.223 nan 3.960 nan 0.000 0.218 273 G HA3 -0.223 nan 3.960 nan 0.000 0.218 273 G C -0.116 174.815 174.900 0.051 0.000 1.124 273 G CA 1.381 46.505 45.100 0.038 0.000 0.776 273 G HN 0.481 8.792 8.290 0.035 0.000 0.547 274 N N -2.186 116.553 118.700 0.065 0.000 2.550 274 N HA -0.106 nan 4.740 nan 0.000 0.186 274 N C 0.346 175.909 175.510 0.089 0.000 1.110 274 N CA 0.037 53.135 53.050 0.079 0.000 0.912 274 N CB -0.813 37.727 38.487 0.090 0.000 0.968 274 N HN -0.172 8.198 8.380 0.064 0.048 0.448 275 V N 2.811 122.778 119.914 0.088 0.000 2.572 275 V HA -0.057 nan 4.120 nan 0.000 0.291 275 V C -0.561 175.589 176.094 0.094 0.000 1.039 275 V CA 1.192 63.555 62.300 0.105 0.000 1.055 275 V CB -0.136 31.754 31.823 0.112 0.000 0.969 275 V HN -0.616 7.562 8.190 0.079 0.059 0.482 276 I N 7.921 128.564 120.570 0.121 0.000 2.395 276 I HA 0.308 nan 4.170 nan 0.000 0.289 276 I C -0.346 175.902 176.117 0.219 0.000 1.023 276 I CA 0.087 61.477 61.300 0.150 0.000 1.350 276 I CB 0.269 38.351 38.000 0.136 0.000 1.409 276 I HN 0.115 8.401 8.210 0.127 0.000 0.507 277 T N 0.454 115.024 114.554 0.026 0.000 2.858 277 T HA 0.586 nan 4.350 nan 0.000 0.285 277 T C 1.052 175.304 174.700 -0.746 0.000 1.052 277 T CA -2.269 59.636 62.100 -0.325 0.000 1.009 277 T CB 3.541 72.182 68.868 -0.378 0.000 1.241 277 T HN 0.009 8.539 8.240 -0.012 -0.297 0.542 278 F N -1.246 118.165 119.950 -0.898 0.000 2.202 278 F HA -0.215 nan 4.527 nan 0.000 0.301 278 F C 1.525 177.287 175.800 -0.063 0.000 1.082 278 F CA 2.670 60.329 58.000 -0.568 0.000 1.313 278 F CB -0.710 38.077 39.000 -0.355 0.000 1.024 278 F HN 0.583 8.486 8.300 -0.662 0.000 0.495 279 E N -1.018 118.748 120.200 -0.724 0.000 2.265 279 E HA -0.288 nan 4.350 nan 0.000 0.196 279 E C 0.857 177.395 176.600 -0.103 0.000 0.996 279 E CA 1.871 58.039 56.400 -0.386 0.000 0.832 279 E CB -0.541 28.831 29.700 -0.546 0.000 0.756 279 E HN -0.575 6.936 8.360 -1.367 0.029 0.491 280 D N -2.088 118.284 120.400 -0.047 0.000 2.340 280 D HA 0.153 nan 4.640 nan 0.000 0.220 280 D C 0.467 176.874 176.300 0.178 0.000 1.039 280 D CA 0.734 54.782 54.000 0.080 0.000 0.866 280 D CB 0.949 41.818 40.800 0.114 0.000 0.913 280 D HN -0.443 7.685 8.370 -0.129 0.164 0.523 281 G N 0.336 109.268 108.800 0.221 0.000 2.665 281 G HA2 -0.606 nan 3.960 nan 0.000 0.326 281 G HA3 -0.606 nan 3.960 nan 0.000 0.326 281 G C 0.382 175.443 174.900 0.269 0.000 1.231 281 G CA 1.688 46.923 45.100 0.225 0.000 0.992 281 G HN -0.007 8.228 8.290 0.215 0.184 0.549 282 R N 2.512 123.109 120.500 0.162 0.000 2.159 282 R HA -0.176 nan 4.340 nan 0.000 0.237 282 R C 1.694 178.126 176.300 0.219 0.000 1.131 282 R CA 1.472 57.658 56.100 0.143 0.000 0.982 282 R CB -0.697 29.699 30.300 0.160 0.000 0.868 282 R HN 0.122 8.460 8.270 0.112 0.000 0.453 283 L N -1.211 120.200 121.223 0.313 0.000 2.056 283 L HA -0.317 nan 4.340 nan 0.000 0.207 283 L C 1.205 178.132 176.870 0.096 0.000 1.078 283 L CA 3.330 58.295 54.840 0.209 0.000 0.749 283 L CB -0.392 41.831 42.059 0.273 0.000 0.901 283 L HN -0.204 8.202 8.230 0.341 0.029 0.433 284 Y N -0.318 120.025 120.300 0.072 0.000 2.181 284 Y HA -0.522 nan 4.550 nan 0.000 0.288 284 Y C 1.846 177.785 175.900 0.064 0.000 1.146 284 Y CA 3.521 61.659 58.100 0.063 0.000 1.164 284 Y CB -0.381 38.191 38.460 0.188 0.000 0.982 284 Y HN -0.515 7.909 8.280 0.383 0.086 0.515 285 D N -0.073 120.449 120.400 0.203 0.000 2.087 285 D HA -0.366 nan 4.640 nan 0.000 0.192 285 D C 2.596 178.877 176.300 -0.032 0.000 0.993 285 D CA 3.850 57.901 54.000 0.085 0.000 0.828 285 D CB -0.284 40.425 40.800 -0.153 0.000 0.968 285 D HN -0.519 7.960 8.370 0.314 0.079 0.448 286 L N -1.665 119.511 121.223 -0.078 0.000 2.083 286 L HA -0.354 nan 4.340 nan 0.000 0.209 286 L C 2.233 178.948 176.870 -0.258 0.000 1.083 286 L CA 2.909 57.712 54.840 -0.060 0.000 0.752 286 L CB -0.516 41.552 42.059 0.015 0.000 0.899 286 L HN -0.252 7.943 8.230 -0.059 0.000 0.433 287 A N -1.388 121.045 122.820 -0.645 0.000 1.930 287 A HA -0.376 nan 4.320 nan 0.000 0.217 287 A C 1.970 179.365 177.584 -0.315 0.000 1.175 287 A CA 3.195 54.682 52.037 -0.917 0.000 0.627 287 A CB -0.889 17.596 19.000 -0.859 0.000 0.815 287 A HN 0.073 7.918 8.150 -0.508 0.000 0.443 288 N N -1.482 117.051 118.700 -0.279 0.000 2.188 288 N HA -0.237 nan 4.740 nan 0.000 0.184 288 N C 2.190 177.705 175.510 0.008 0.000 1.018 288 N CA 3.781 56.742 53.050 -0.148 0.000 0.858 288 N CB 0.281 38.636 38.487 -0.221 0.000 0.989 288 N HN -0.413 7.753 8.380 -0.358 0.000 0.426 289 V N 0.571 120.508 119.914 0.038 0.000 2.343 289 V HA -0.399 nan 4.120 nan 0.000 0.247 289 V C 1.678 177.835 176.094 0.105 0.000 1.051 289 V CA 4.345 66.690 62.300 0.075 0.000 1.036 289 V CB -0.834 31.055 31.823 0.109 0.000 0.654 289 V HN -0.156 7.953 8.190 0.000 0.081 0.451 290 F N 0.386 120.383 119.950 0.079 0.000 2.075 290 F HA -0.460 nan 4.527 nan 0.000 0.297 290 F C 1.344 177.327 175.800 0.304 0.000 1.113 290 F CA 3.635 61.763 58.000 0.212 0.000 1.218 290 F CB 0.510 39.659 39.000 0.249 0.000 0.984 290 F HN -0.492 7.961 8.300 0.255 0.000 0.472 291 M N -0.024 119.732 119.600 0.260 0.000 2.080 291 M HA -0.519 nan 4.480 nan 0.000 0.260 291 M C 1.686 178.117 176.300 0.219 0.000 1.068 291 M CA 4.117 59.611 55.300 0.323 0.000 1.109 291 M CB 0.110 32.928 32.600 0.363 0.000 1.342 291 M HN -0.388 8.102 8.290 0.332 0.000 0.405 292 L N -4.194 117.121 121.223 0.154 0.000 2.217 292 L HA -0.253 nan 4.340 nan 0.000 0.211 292 L C 2.530 179.535 176.870 0.225 0.000 1.107 292 L CA 2.292 57.230 54.840 0.164 0.000 0.783 292 L CB -0.522 41.608 42.059 0.119 0.000 0.919 292 L HN -0.146 8.160 8.230 0.127 0.000 0.442 293 A N -0.880 122.040 122.820 0.167 0.000 1.984 293 A HA -0.073 nan 4.320 nan 0.000 0.214 293 A C -0.561 177.282 177.584 0.432 0.000 1.173 293 A CA 1.564 53.753 52.037 0.253 0.000 0.673 293 A CB 0.340 19.221 19.000 -0.198 0.000 0.830 293 A HN -0.481 7.696 8.150 0.084 0.023 0.453 294 Y N 0.692 121.063 120.300 0.118 0.000 2.377 294 Y HA 0.103 nan 4.550 nan 0.000 0.330 294 Y C -1.874 174.171 175.900 0.242 0.000 1.108 294 Y CA -2.080 56.054 58.100 0.057 0.000 1.308 294 Y CB 1.378 39.593 38.460 -0.409 0.000 1.216 294 Y HN -0.209 8.171 8.280 0.167 0.000 0.518 295 P HA -0.056 nan 4.420 nan 0.000 0.237 295 P C -2.358 175.081 177.300 0.233 0.000 1.723 295 P CA 0.080 63.322 63.100 0.236 0.000 0.882 295 P CB -1.863 29.998 31.700 0.268 0.000 1.810 296 Y N 0.231 120.662 120.300 0.218 0.000 2.376 296 Y HA -0.075 nan 4.550 nan 0.000 0.340 296 Y C -0.715 175.262 175.900 0.128 0.000 0.965 296 Y CA -0.462 57.765 58.100 0.210 0.000 1.078 296 Y CB 2.326 41.042 38.460 0.426 0.000 1.193 296 Y HN -0.548 7.963 8.280 0.520 0.081 0.452 297 G N 7.901 116.273 108.800 -0.713 0.000 2.804 297 G HA2 -0.440 nan 3.960 nan 0.000 0.230 297 G HA3 -0.440 nan 3.960 nan 0.000 0.230 297 G C -2.714 172.110 174.900 -0.127 0.000 1.386 297 G CA 0.013 44.803 45.100 -0.516 0.000 0.875 297 G HN 0.229 7.970 8.290 -0.916 0.000 0.557 298 Y N 0.315 120.490 120.300 -0.208 0.000 2.478 298 Y HA 0.454 nan 4.550 nan 0.000 0.329 298 Y C -2.326 173.576 175.900 0.004 0.000 0.967 298 Y CA -4.695 53.369 58.100 -0.060 0.000 1.255 298 Y CB 1.301 39.723 38.460 -0.062 0.000 1.103 298 Y HN -0.166 8.092 8.280 -0.038 0.000 0.497 299 P HA 0.452 nan 4.420 nan 0.000 0.282 299 P C -2.228 174.862 177.300 -0.351 0.000 1.249 299 P CA -0.831 62.202 63.100 -0.113 0.000 0.806 299 P CB 0.903 32.600 31.700 -0.006 0.000 0.984 300 K N -1.010 119.085 120.400 -0.509 0.000 2.413 300 K HA 0.554 nan 4.320 nan 0.000 0.257 300 K C -0.548 175.836 176.600 -0.360 0.000 0.946 300 K CA -1.506 54.248 56.287 -0.888 0.000 0.823 300 K CB 2.055 33.549 32.500 -1.677 0.000 1.109 300 K HN -0.109 7.961 8.250 -0.300 0.000 0.427 301 V N 6.093 125.881 119.914 -0.210 0.000 2.614 301 V HA 0.098 nan 4.120 nan 0.000 0.291 301 V C -0.817 175.234 176.094 -0.072 0.000 1.049 301 V CA 0.623 62.900 62.300 -0.039 0.000 1.038 301 V CB 0.728 32.639 31.823 0.148 0.000 0.980 301 V HN 0.609 8.675 8.190 -0.207 0.000 0.481 302 M N 6.662 126.263 119.600 0.002 0.000 2.274 302 M HA 0.327 nan 4.480 nan 0.000 0.344 302 M C -1.331 174.959 176.300 -0.016 0.000 1.161 302 M CA -0.876 54.423 55.300 -0.001 0.000 1.126 302 M CB 1.592 34.235 32.600 0.071 0.000 1.522 302 M HN 0.355 8.680 8.290 0.058 0.000 0.461 303 S N 3.959 119.617 115.700 -0.070 0.000 2.789 303 S HA 0.306 nan 4.470 nan 0.000 0.286 303 S C -1.547 173.103 174.600 0.082 0.000 1.153 303 S CA -0.911 57.274 58.200 -0.025 0.000 1.084 303 S CB 0.515 63.589 63.200 -0.210 0.000 1.036 303 S HN 0.050 8.294 8.310 -0.110 0.000 0.484 304 S N 7.891 123.630 115.700 0.065 0.000 2.786 304 S HA 0.722 nan 4.470 nan 0.000 0.307 304 S C -1.824 172.837 174.600 0.101 0.000 1.121 304 S CA -1.491 56.739 58.200 0.050 0.000 0.975 304 S CB 2.547 65.660 63.200 -0.146 0.000 1.220 304 S HN 0.514 9.336 8.310 -0.034 -0.533 0.550 305 Y N -3.857 116.450 120.300 0.011 0.000 2.512 305 Y HA 0.544 nan 4.550 nan 0.000 0.348 305 Y C -1.855 173.897 175.900 -0.247 0.000 0.990 305 Y CA -2.958 55.022 58.100 -0.200 0.000 1.033 305 Y CB 2.296 40.531 38.460 -0.375 0.000 1.259 305 Y HN 0.129 8.181 8.280 -0.379 0.000 0.461 306 D N 2.493 122.769 120.400 -0.208 0.000 2.346 306 D HA -0.132 nan 4.640 nan 0.000 0.260 306 D C -0.563 175.556 176.300 -0.301 0.000 1.252 306 D CA 0.166 53.977 54.000 -0.316 0.000 0.895 306 D CB 0.292 40.871 40.800 -0.368 0.000 1.097 306 D HN -0.083 8.161 8.370 -0.210 0.000 0.489 307 F N -0.374 119.537 119.950 -0.065 0.000 2.765 307 F HA 0.152 nan 4.527 nan 0.000 0.302 307 F C 0.158 175.981 175.800 0.038 0.000 1.111 307 F CA -0.846 57.186 58.000 0.053 0.000 1.359 307 F CB -0.123 38.978 39.000 0.168 0.000 1.097 307 F HN -0.398 7.529 8.300 -0.623 0.000 0.577 308 H N 0.124 119.169 119.070 -0.043 0.000 2.677 308 H HA -0.394 nan 4.556 nan 0.000 0.321 308 H C 0.959 176.334 175.328 0.078 0.000 1.171 308 H CA 0.162 56.207 56.048 -0.004 0.000 1.139 308 H CB -3.299 26.495 29.762 0.054 0.000 1.515 308 H HN -0.102 7.932 8.280 -0.712 -0.181 0.423 309 G N -2.781 106.077 108.800 0.096 0.000 2.228 309 G HA2 -0.573 nan 3.960 nan 0.000 0.270 309 G HA3 -0.573 nan 3.960 nan 0.000 0.270 309 G C -0.769 174.391 174.900 0.434 0.000 0.976 309 G CA 0.294 45.560 45.100 0.277 0.000 0.636 309 G HN 0.457 8.571 8.290 -0.292 0.000 0.542 310 D N 1.953 122.659 120.400 0.510 0.000 2.393 310 D HA 0.154 nan 4.640 nan 0.000 0.232 310 D C 1.057 177.600 176.300 0.404 0.000 1.192 310 D CA -0.898 53.342 54.000 0.399 0.000 0.882 310 D CB 0.325 41.328 40.800 0.339 0.000 1.038 310 D HN -0.526 7.966 8.370 0.535 0.199 0.499 311 T N 1.724 116.447 114.554 0.282 0.000 3.113 311 T HA -0.092 nan 4.350 nan 0.000 0.263 311 T C 1.092 176.074 174.700 0.470 0.000 1.143 311 T CA 1.807 64.009 62.100 0.170 0.000 1.090 311 T CB -0.301 68.658 68.868 0.151 0.000 0.922 311 T HN 0.277 8.683 8.240 0.276 0.000 0.521 312 D N 1.866 122.543 120.400 0.461 0.000 2.392 312 D HA 0.170 nan 4.640 nan 0.000 0.206 312 D C -0.659 175.850 176.300 0.348 0.000 1.046 312 D CA 1.029 55.328 54.000 0.498 0.000 0.865 312 D CB 0.605 41.665 40.800 0.433 0.000 0.969 312 D HN -0.118 8.668 8.370 0.364 -0.198 0.509 313 A N -0.585 122.455 122.820 0.366 0.000 2.540 313 A HA -0.081 nan 4.320 nan 0.000 0.239 313 A C -0.307 177.499 177.584 0.370 0.000 1.061 313 A CA 0.744 52.959 52.037 0.297 0.000 0.758 313 A CB 0.559 19.749 19.000 0.317 0.000 0.991 313 A HN -0.916 7.612 8.150 0.373 -0.155 0.502 314 G N 0.409 109.285 108.800 0.127 0.000 2.588 314 G HA2 0.033 nan 3.960 nan 0.000 0.278 314 G HA3 0.033 nan 3.960 nan 0.000 0.278 314 G C -0.302 174.366 174.900 -0.386 0.000 1.307 314 G CA -1.087 44.017 45.100 0.006 0.000 1.016 314 G HN 0.128 8.442 8.290 0.040 0.000 0.503 315 G N -2.663 105.667 108.800 -0.785 0.000 2.653 315 G HA2 0.196 nan 3.960 nan 0.000 0.265 315 G HA3 0.196 nan 3.960 nan 0.000 0.265 315 G C -1.703 172.649 174.900 -0.914 0.000 1.237 315 G CA -1.054 43.147 45.100 -1.498 0.000 0.946 315 G HN 0.080 8.079 8.290 -0.485 0.000 0.522 316 P HA -0.016 nan 4.420 nan 0.000 0.268 316 P C -0.800 176.284 177.300 -0.359 0.000 1.208 316 P CA 0.199 62.879 63.100 -0.700 0.000 0.777 316 P CB 0.573 31.628 31.700 -1.075 0.000 0.875 317 N N -0.179 118.392 118.700 -0.216 0.000 2.383 317 N HA -0.014 nan 4.740 nan 0.000 0.192 317 N C -0.807 174.665 175.510 -0.062 0.000 1.141 317 N CA 0.638 53.618 53.050 -0.117 0.000 0.851 317 N CB 0.091 38.523 38.487 -0.091 0.000 0.976 317 N HN 0.252 8.502 8.380 -0.215 0.000 0.465 318 V N 1.516 121.407 119.914 -0.038 0.000 2.735 318 V HA 0.517 nan 4.120 nan 0.000 0.310 318 V C -2.208 173.978 176.094 0.154 0.000 1.061 318 V CA -3.230 59.084 62.300 0.025 0.000 0.913 318 V CB 3.187 35.011 31.823 0.002 0.000 1.005 318 V HN -0.445 7.595 8.190 -0.093 0.094 0.428 319 P HA 0.214 nan 4.420 nan 0.000 0.274 319 P C -0.403 176.770 177.300 -0.213 0.000 1.246 319 P CA -0.517 62.534 63.100 -0.082 0.000 0.795 319 P CB 0.913 32.550 31.700 -0.103 0.000 1.006 320 V N -2.639 116.862 119.914 -0.688 0.000 2.358 320 V HA -0.202 nan 4.120 nan 0.000 0.246 320 V C 1.089 176.800 176.094 -0.638 0.000 1.047 320 V CA 3.233 64.982 62.300 -0.920 0.000 1.035 320 V CB 0.033 30.884 31.823 -1.620 0.000 0.658 320 V HN 0.098 8.204 8.190 -0.856 -0.430 0.452 321 H N -1.686 117.214 119.070 -0.283 0.000 2.746 321 H HA 0.377 nan 4.556 nan 0.000 0.269 321 H C -1.188 174.078 175.328 -0.103 0.000 1.248 321 H CA -1.056 54.905 56.048 -0.145 0.000 1.258 321 H CB -1.186 28.514 29.762 -0.104 0.000 1.441 321 H HN -0.507 7.885 8.280 -0.278 -0.279 0.508 322 N N 4.526 123.214 118.700 -0.021 0.000 2.699 322 N HA 0.037 nan 4.740 nan 0.000 0.232 322 N C -0.908 174.606 175.510 0.006 0.000 1.027 322 N CA -1.534 51.509 53.050 -0.012 0.000 0.920 322 N CB 0.403 38.873 38.487 -0.028 0.000 1.148 322 N HN 0.254 8.599 8.380 -0.058 0.000 0.509 323 N N 6.917 125.626 118.700 0.016 0.000 2.725 323 N HA -0.333 nan 4.740 nan 0.000 0.251 323 N C -0.079 175.445 175.510 0.024 0.000 1.031 323 N CA 0.759 53.819 53.050 0.016 0.000 0.720 323 N CB -1.005 37.488 38.487 0.009 0.000 0.930 323 N HN 0.730 9.120 8.380 0.017 0.000 0.543 324 G N -5.473 103.349 108.800 0.038 0.000 2.179 324 G HA2 -0.480 nan 3.960 nan 0.000 0.260 324 G HA3 -0.480 nan 3.960 nan 0.000 0.260 324 G C -1.069 173.858 174.900 0.045 0.000 0.977 324 G CA 0.024 45.151 45.100 0.045 0.000 0.641 324 G HN 0.429 8.747 8.290 0.047 0.000 0.533 325 N N 0.083 118.800 118.700 0.029 0.000 2.405 325 N HA 0.153 nan 4.740 nan 0.000 0.299 325 N C -1.955 173.542 175.510 -0.022 0.000 1.075 325 N CA -0.683 52.375 53.050 0.013 0.000 0.884 325 N CB 2.189 40.679 38.487 0.004 0.000 1.194 325 N HN -0.540 7.650 8.380 0.025 0.205 0.491 326 L N 3.168 124.366 121.223 -0.041 0.000 2.276 326 L HA 0.288 nan 4.340 nan 0.000 0.286 326 L C -0.145 176.634 176.870 -0.152 0.000 1.024 326 L CA -0.571 54.182 54.840 -0.145 0.000 0.826 326 L CB 1.246 43.236 42.059 -0.115 0.000 1.211 326 L HN 0.378 8.605 8.230 -0.005 0.000 0.422 327 E N 7.101 127.195 120.200 -0.178 0.000 2.773 327 E HA 0.024 nan 4.350 nan 0.000 0.302 327 E C -1.330 175.216 176.600 -0.090 0.000 1.574 327 E CA -0.798 55.557 56.400 -0.074 0.000 1.775 327 E CB -2.417 27.303 29.700 0.033 0.000 1.413 327 E HN 0.358 8.467 8.360 -0.244 0.105 0.471 328 c N -0.280 118.154 118.600 -0.278 0.000 2.486 328 c HA 0.407 nan 4.570 nan 0.000 0.348 328 c C -0.497 173.324 174.090 -0.449 0.000 1.203 328 c CA 0.156 56.148 56.329 -0.562 0.000 1.911 328 c CB 1.879 43.598 42.510 -1.319 0.000 2.340 328 c HN -0.073 7.910 8.230 -0.268 0.086 0.511 329 F N -3.200 116.833 119.950 0.140 0.000 2.705 329 F HA -0.513 nan 4.527 nan 0.000 0.413 329 F C -0.890 174.948 175.800 0.063 0.000 0.588 329 F CA 1.493 59.563 58.000 0.117 0.000 1.187 329 F CB -2.044 36.982 39.000 0.043 0.000 1.737 329 F HN 0.163 8.289 8.300 -0.289 0.000 0.285 330 A N -1.587 121.324 122.820 0.152 0.000 3.792 330 A HA 0.237 nan 4.320 nan 0.000 0.176 330 A C -0.111 177.511 177.584 0.062 0.000 1.354 330 A CA -0.001 52.096 52.037 0.101 0.000 1.480 330 A CB 1.105 20.150 19.000 0.075 0.000 1.585 330 A HN -0.662 7.458 8.150 0.089 0.084 0.640 331 S N -1.168 114.564 115.700 0.053 0.000 2.631 331 S HA 0.016 nan 4.470 nan 0.000 0.217 331 S C 0.099 174.694 174.600 -0.009 0.000 0.958 331 S CA 0.939 59.184 58.200 0.076 0.000 0.920 331 S CB 0.124 63.420 63.200 0.161 0.000 0.776 331 S HN 0.287 8.627 8.310 0.050 0.000 0.517 332 N N 1.137 119.780 118.700 -0.095 0.000 1.908 332 N HA 0.338 nan 4.740 nan 0.000 0.154 332 N C -0.697 174.607 175.510 -0.344 0.000 1.371 332 N CA 0.037 52.911 53.050 -0.293 0.000 1.044 332 N CB 0.687 38.998 38.487 -0.293 0.000 1.216 332 N HN -0.521 7.760 8.380 -0.051 0.069 0.331 333 W N 0.359 121.588 121.300 -0.118 0.000 2.216 333 W HA -0.053 nan 4.660 nan 0.000 0.326 333 W C 0.228 176.687 176.519 -0.101 0.000 1.319 333 W CA 0.213 57.504 57.345 -0.091 0.000 1.213 333 W CB -0.033 29.303 29.460 -0.208 0.000 1.171 333 W HN -0.408 7.634 8.180 -0.230 0.000 0.557 334 K N 0.782 121.240 120.400 0.096 0.000 2.186 334 K HA -0.053 nan 4.320 nan 0.000 0.202 334 K C 0.494 177.226 176.600 0.220 0.000 1.052 334 K CA -0.329 55.997 56.287 0.066 0.000 0.965 334 K CB 0.404 32.733 32.500 -0.285 0.000 0.746 334 K HN 0.596 8.800 8.250 0.110 0.111 0.457 335 c N -2.201 116.502 118.600 0.172 0.000 4.056 335 c HA -0.311 nan 4.570 nan 0.000 0.302 335 c C 1.243 175.287 174.090 -0.075 0.000 1.356 335 c CA -0.295 56.086 56.329 0.086 0.000 2.074 335 c CB -3.174 39.225 42.510 -0.185 0.000 1.328 335 c HN -0.052 8.341 8.230 0.271 0.000 0.684 336 E N 1.353 121.366 120.200 -0.311 0.000 2.204 336 E HA -0.361 nan 4.350 nan 0.000 0.195 336 E C 1.489 177.909 176.600 -0.299 0.000 0.990 336 E CA 3.331 59.184 56.400 -0.911 0.000 0.821 336 E CB -0.333 28.931 29.700 -0.727 0.000 0.750 336 E HN 0.611 8.880 8.360 -0.152 0.000 0.477 337 H N -3.391 115.614 119.070 -0.108 0.000 2.560 337 H HA -0.078 nan 4.556 nan 0.000 0.283 337 H C 0.641 176.108 175.328 0.233 0.000 1.028 337 H CA 2.012 58.088 56.048 0.048 0.000 1.221 337 H CB -0.625 28.993 29.762 -0.239 0.000 1.363 337 H HN -0.151 8.194 8.280 0.147 0.023 0.594 338 R N -2.377 117.986 120.500 -0.228 0.000 2.282 338 R HA 0.042 nan 4.340 nan 0.000 0.195 338 R C -0.590 175.967 176.300 0.427 0.000 0.909 338 R CA -0.045 56.050 56.100 -0.007 0.000 1.039 338 R CB 1.142 31.341 30.300 -0.168 0.000 1.015 338 R HN -0.276 7.612 8.270 -0.319 0.190 0.513 339 W N 1.274 122.696 121.300 0.204 0.000 2.295 339 W HA -0.085 nan 4.660 nan 0.000 0.335 339 W C 1.176 177.820 176.519 0.209 0.000 1.351 339 W CA -1.006 56.449 57.345 0.184 0.000 1.273 339 W CB -1.068 28.532 29.460 0.233 0.000 1.214 339 W HN -0.554 7.820 8.180 0.533 0.126 0.563 340 S N 5.330 121.242 115.700 0.353 0.000 2.378 340 S HA -0.520 nan 4.470 nan 0.000 0.229 340 S C 1.596 176.347 174.600 0.253 0.000 1.052 340 S CA 3.520 61.869 58.200 0.249 0.000 1.084 340 S CB -0.296 62.988 63.200 0.139 0.000 0.950 340 S HN 0.297 8.747 8.310 0.234 0.000 0.440 341 Y N -1.305 119.113 120.300 0.197 0.000 2.224 341 Y HA -0.275 nan 4.550 nan 0.000 0.289 341 Y C 2.362 178.362 175.900 0.166 0.000 1.146 341 Y CA 3.159 61.355 58.100 0.160 0.000 1.182 341 Y CB -0.336 38.218 38.460 0.157 0.000 0.983 341 Y HN -0.006 8.723 8.280 0.748 0.000 0.524 342 I N -0.990 119.818 120.570 0.396 0.000 2.193 342 I HA -0.591 nan 4.170 nan 0.000 0.240 342 I C 1.512 177.785 176.117 0.259 0.000 1.084 342 I CA 3.271 64.741 61.300 0.283 0.000 1.365 342 I CB -0.437 37.723 38.000 0.266 0.000 1.064 342 I HN -0.765 7.749 8.210 0.506 0.000 0.410 343 A N -1.229 121.786 122.820 0.326 0.000 1.933 343 A HA -0.253 nan 4.320 nan 0.000 0.218 343 A C 2.186 179.870 177.584 0.166 0.000 1.175 343 A CA 3.258 55.476 52.037 0.302 0.000 0.628 343 A CB -0.941 18.319 19.000 0.433 0.000 0.814 343 A HN 0.303 8.679 8.150 0.377 0.000 0.444 344 G N -2.536 106.357 108.800 0.155 0.000 2.422 344 G HA2 -0.333 nan 3.960 nan 0.000 0.218 344 G HA3 -0.333 nan 3.960 nan 0.000 0.218 344 G C 1.207 176.179 174.900 0.121 0.000 1.140 344 G CA 1.655 46.819 45.100 0.106 0.000 0.775 344 G HN 0.093 8.482 8.290 0.184 0.011 0.545 345 G N 1.286 110.153 108.800 0.113 0.000 2.402 345 G HA2 -0.241 nan 3.960 nan 0.000 0.216 345 G HA3 -0.241 nan 3.960 nan 0.000 0.216 345 G C 1.041 176.016 174.900 0.124 0.000 1.162 345 G CA 1.634 46.798 45.100 0.108 0.000 0.777 345 G HN -0.467 7.780 8.290 0.132 0.122 0.539 346 V N 2.747 122.686 119.914 0.041 0.000 2.343 346 V HA -0.483 nan 4.120 nan 0.000 0.247 346 V C 1.476 177.537 176.094 -0.055 0.000 1.051 346 V CA 4.024 66.276 62.300 -0.081 0.000 1.036 346 V CB -0.571 31.043 31.823 -0.350 0.000 0.654 346 V HN -0.170 7.973 8.190 0.054 0.080 0.451 347 D N -0.328 120.071 120.400 -0.002 0.000 2.123 347 D HA -0.323 nan 4.640 nan 0.000 0.196 347 D C 1.655 177.939 176.300 -0.028 0.000 0.992 347 D CA 3.250 57.250 54.000 -0.001 0.000 0.833 347 D CB 0.127 40.986 40.800 0.098 0.000 0.954 347 D HN -0.266 8.122 8.370 0.029 0.000 0.455 348 F N 0.217 120.138 119.950 -0.049 0.000 2.102 348 F HA -0.379 nan 4.527 nan 0.000 0.298 348 F C 1.433 177.139 175.800 -0.157 0.000 1.105 348 F CA 3.243 61.206 58.000 -0.062 0.000 1.239 348 F CB 0.427 39.431 39.000 0.006 0.000 0.991 348 F HN -0.515 7.856 8.300 0.267 0.089 0.474 349 R N -1.671 118.861 120.500 0.054 0.000 2.096 349 R HA -0.425 nan 4.340 nan 0.000 0.235 349 R C 2.912 179.079 176.300 -0.222 0.000 1.127 349 R CA 3.422 59.480 56.100 -0.070 0.000 0.968 349 R CB -0.137 30.210 30.300 0.078 0.000 0.861 349 R HN -0.041 8.336 8.270 0.179 0.000 0.440 350 N N -1.097 117.492 118.700 -0.186 0.000 2.223 350 N HA -0.196 nan 4.740 nan 0.000 0.185 350 N C 1.915 177.246 175.510 -0.299 0.000 1.016 350 N CA 2.614 55.549 53.050 -0.193 0.000 0.863 350 N CB -0.432 37.962 38.487 -0.156 0.000 0.983 350 N HN 0.078 8.374 8.380 -0.139 0.000 0.429 351 N N -2.732 115.690 118.700 -0.464 0.000 2.280 351 N HA 0.117 nan 4.740 nan 0.000 0.192 351 N C -0.478 174.713 175.510 -0.531 0.000 1.109 351 N CA 1.470 54.191 53.050 -0.548 0.000 0.855 351 N CB 1.187 39.102 38.487 -0.953 0.000 0.974 351 N HN -0.399 7.559 8.380 -0.497 0.123 0.482 352 T N -6.689 107.497 114.554 -0.613 0.000 3.200 352 T HA 0.359 nan 4.350 nan 0.000 0.284 352 T C 0.517 174.783 174.700 -0.723 0.000 1.009 352 T CA -0.872 60.847 62.100 -0.635 0.000 0.907 352 T CB 0.446 68.819 68.868 -0.825 0.000 1.120 352 T HN -0.736 7.086 8.240 -0.607 0.054 0.534 353 A N 1.160 123.596 122.820 -0.641 0.000 2.255 353 A HA -0.163 nan 4.320 nan 0.000 0.206 353 A C -0.753 176.549 177.584 -0.470 0.000 1.193 353 A CA 2.373 53.972 52.037 -0.729 0.000 0.794 353 A CB -0.326 18.547 19.000 -0.212 0.000 0.794 353 A HN -0.429 7.367 8.150 -0.480 0.066 0.481 354 D N -5.235 114.934 120.400 -0.385 0.000 2.369 354 D HA -0.050 nan 4.640 nan 0.000 0.211 354 D C -0.493 175.700 176.300 -0.178 0.000 1.077 354 D CA -0.728 53.164 54.000 -0.181 0.000 0.842 354 D CB 0.472 41.201 40.800 -0.119 0.000 0.947 354 D HN -0.184 7.842 8.370 -0.418 0.094 0.509 355 N N 0.234 118.721 118.700 -0.353 0.000 2.581 355 N HA 0.173 nan 4.740 nan 0.000 0.279 355 N C -0.971 174.357 175.510 -0.304 0.000 1.124 355 N CA -0.195 52.731 53.050 -0.207 0.000 0.833 355 N CB 0.962 39.366 38.487 -0.138 0.000 1.338 355 N HN -0.463 7.520 8.380 -0.573 0.053 0.533 356 W N 3.636 124.916 121.300 -0.034 0.000 3.391 356 W HA 0.061 nan 4.660 nan 0.000 0.372 356 W C -0.806 175.685 176.519 -0.046 0.000 1.171 356 W CA -0.746 56.574 57.345 -0.042 0.000 1.862 356 W CB -0.801 28.629 29.460 -0.050 0.000 1.048 356 W HN 0.167 8.463 8.180 0.193 0.000 0.726 357 A N -0.519 122.366 122.820 0.108 0.000 2.294 357 A HA 0.284 nan 4.320 nan 0.000 0.330 357 A C -2.039 175.580 177.584 0.057 0.000 1.133 357 A CA -1.118 50.963 52.037 0.074 0.000 0.836 357 A CB 2.318 21.362 19.000 0.074 0.000 1.190 357 A HN -0.607 7.732 8.150 0.059 -0.153 0.492 358 V N -0.214 119.720 119.914 0.033 0.000 2.350 358 V HA 0.206 nan 4.120 nan 0.000 0.276 358 V C -0.123 176.077 176.094 0.176 0.000 1.028 358 V CA -0.784 61.562 62.300 0.076 0.000 0.860 358 V CB -0.473 31.303 31.823 -0.079 0.000 0.990 358 V HN 0.234 8.433 8.190 0.014 0.000 0.453 359 T N 3.632 118.334 114.554 0.246 0.000 2.918 359 T HA 0.396 nan 4.350 nan 0.000 0.286 359 T C -0.130 174.760 174.700 0.316 0.000 1.026 359 T CA -2.048 60.195 62.100 0.238 0.000 1.031 359 T CB 3.033 72.013 68.868 0.186 0.000 1.046 359 T HN 0.381 8.682 8.240 0.286 0.110 0.479 360 N N 0.578 119.455 118.700 0.293 0.000 2.686 360 N HA -0.421 nan 4.740 nan 0.000 0.261 360 N C -1.082 174.675 175.510 0.411 0.000 1.001 360 N CA 0.925 54.170 53.050 0.325 0.000 0.764 360 N CB -0.817 37.852 38.487 0.303 0.000 0.898 360 N HN 0.298 8.823 8.380 0.241 0.000 0.544 361 W N -1.687 119.773 121.300 0.266 0.000 2.251 361 W HA -0.193 nan 4.660 nan 0.000 0.327 361 W C -1.080 175.632 176.519 0.322 0.000 1.361 361 W CA -0.444 57.079 57.345 0.297 0.000 1.234 361 W CB 0.350 29.923 29.460 0.188 0.000 1.212 361 W HN -0.525 7.964 8.180 0.516 0.000 0.557 362 W N 8.710 129.804 121.300 -0.343 0.000 3.022 362 W HA 0.221 nan 4.660 nan 0.000 0.335 362 W C -2.805 173.504 176.519 -0.351 0.000 1.133 362 W CA -0.352 56.893 57.345 -0.167 0.000 1.219 362 W CB 3.088 32.514 29.460 -0.058 0.000 1.409 362 W HN 0.743 8.631 8.180 -0.488 0.000 0.507 363 D N 2.541 122.171 120.400 -1.284 0.000 2.615 363 D HA 0.211 nan 4.640 nan 0.000 0.267 363 D C -1.130 174.256 176.300 -1.524 0.000 1.236 363 D CA -0.964 52.308 54.000 -1.214 0.000 0.839 363 D CB 3.108 43.703 40.800 -0.343 0.000 1.380 363 D HN -0.269 7.256 8.370 -1.408 0.000 0.433 364 N N -1.408 116.724 118.700 -0.946 0.000 2.279 364 N HA 0.026 nan 4.740 nan 0.000 0.226 364 N C 0.158 175.514 175.510 -0.257 0.000 1.126 364 N CA -0.760 51.989 53.050 -0.502 0.000 0.846 364 N CB 0.181 38.550 38.487 -0.197 0.000 1.050 364 N HN -0.068 7.896 8.380 -0.693 0.000 0.502 365 T N -5.711 108.695 114.554 -0.245 0.000 6.412 365 T HA -0.391 nan 4.350 nan 0.000 0.279 365 T C -1.418 173.209 174.700 -0.121 0.000 2.177 365 T CA 2.116 64.146 62.100 -0.117 0.000 3.599 365 T CB -1.536 67.294 68.868 -0.063 0.000 1.259 365 T HN 0.317 8.503 8.240 -0.335 -0.146 1.146 366 N N 1.542 120.133 118.700 -0.180 0.000 2.517 366 N HA 0.183 nan 4.740 nan 0.000 0.121 366 N C -0.994 174.346 175.510 -0.283 0.000 1.776 366 N CA 0.729 53.644 53.050 -0.224 0.000 1.255 366 N CB 1.398 39.785 38.487 -0.166 0.000 0.954 366 N HN -0.198 8.226 8.380 -0.207 -0.167 0.414 367 N N 0.276 118.828 118.700 -0.246 0.000 2.320 367 N HA 0.222 nan 4.740 nan 0.000 0.237 367 N C -1.631 173.751 175.510 -0.213 0.000 1.129 367 N CA -0.556 52.324 53.050 -0.283 0.000 0.854 367 N CB 0.459 38.773 38.487 -0.288 0.000 1.083 367 N HN -0.269 8.268 8.380 -0.189 -0.271 0.504 368 Q N -1.797 117.906 119.800 -0.163 0.000 2.321 368 Q HA 0.736 nan 4.340 nan 0.000 0.270 368 Q C -1.931 174.014 176.000 -0.091 0.000 1.032 368 Q CA -0.819 54.958 55.803 -0.043 0.000 0.784 368 Q CB 3.428 32.238 28.738 0.120 0.000 1.264 368 Q HN -0.471 7.819 8.270 -0.200 -0.139 0.448 369 I N -1.748 118.801 120.570 -0.034 0.000 2.994 369 I HA 0.966 nan 4.170 nan 0.000 0.306 369 I C -2.457 173.638 176.117 -0.037 0.000 1.195 369 I CA -2.030 59.176 61.300 -0.156 0.000 1.001 369 I CB 4.218 42.030 38.000 -0.314 0.000 1.244 369 I HN 0.439 8.644 8.210 -0.008 0.000 0.437 370 S N 0.429 116.055 115.700 -0.124 0.000 2.535 370 S HA 0.819 nan 4.470 nan 0.000 0.272 370 S C -2.297 172.226 174.600 -0.128 0.000 1.149 370 S CA -1.064 57.081 58.200 -0.091 0.000 0.888 370 S CB 2.152 65.421 63.200 0.115 0.000 1.110 370 S HN 0.475 8.555 8.310 -0.383 0.000 0.463 371 F N 0.561 120.308 119.950 -0.337 0.000 2.741 371 F HA 0.865 nan 4.527 nan 0.000 0.311 371 F C -2.437 172.969 175.800 -0.657 0.000 1.149 371 F CA -1.284 56.543 58.000 -0.288 0.000 0.930 371 F CB 2.326 41.351 39.000 0.042 0.000 1.312 371 F HN 0.274 8.130 8.300 -0.740 0.000 0.450 372 G N -2.670 106.066 108.800 -0.107 0.000 2.735 372 G HA2 0.670 nan 3.960 nan 0.000 0.301 372 G HA3 0.670 nan 3.960 nan 0.000 0.301 372 G C -1.301 173.740 174.900 0.234 0.000 1.279 372 G CA -1.673 43.385 45.100 -0.070 0.000 1.019 372 G HN 0.739 9.075 8.290 0.246 0.102 0.497 373 R N -0.398 120.191 120.500 0.148 0.000 2.881 373 R HA 0.363 nan 4.340 nan 0.000 0.331 373 R C 0.098 176.409 176.300 0.019 0.000 1.207 373 R CA -3.075 53.067 56.100 0.069 0.000 1.265 373 R CB -0.413 29.854 30.300 -0.054 0.000 1.351 373 R HN 0.204 8.547 8.270 0.121 0.000 0.613 374 G N 2.260 111.107 108.800 0.079 0.000 2.547 374 G HA2 -0.405 nan 3.960 nan 0.000 0.271 374 G HA3 -0.405 nan 3.960 nan 0.000 0.271 374 G C -0.065 174.868 174.900 0.055 0.000 1.209 374 G CA 0.638 45.774 45.100 0.061 0.000 0.959 374 G HN 0.221 8.525 8.290 0.127 0.062 0.563 375 S N 1.889 117.604 115.700 0.025 0.000 2.631 375 S HA -0.007 nan 4.470 nan 0.000 0.217 375 S C 0.638 175.239 174.600 0.001 0.000 0.958 375 S CA 1.060 59.273 58.200 0.021 0.000 0.920 375 S CB -0.471 62.742 63.200 0.022 0.000 0.776 375 S HN 0.218 8.537 8.310 0.015 0.000 0.517 376 S N 0.687 116.363 115.700 -0.040 0.000 2.478 376 S HA 0.061 nan 4.470 nan 0.000 0.222 376 S C -0.561 173.977 174.600 -0.102 0.000 1.008 376 S CA 2.109 60.254 58.200 -0.092 0.000 0.928 376 S CB 1.244 64.329 63.200 -0.191 0.000 0.781 376 S HN -0.655 7.549 8.310 -0.043 0.080 0.518 377 G N -2.962 105.804 108.800 -0.057 0.000 2.451 377 G HA2 0.334 nan 3.960 nan 0.000 0.292 377 G HA3 0.334 nan 3.960 nan 0.000 0.292 377 G C -3.355 171.667 174.900 0.204 0.000 1.427 377 G CA 0.501 45.624 45.100 0.038 0.000 0.792 377 G HN -0.972 7.306 8.290 -0.020 0.000 0.498 378 H N -0.834 118.354 119.070 0.196 0.000 3.064 378 H HA 0.880 nan 4.556 nan 0.000 0.352 378 H C -2.362 172.896 175.328 -0.116 0.000 1.260 378 H CA -0.287 55.773 56.048 0.020 0.000 1.160 378 H CB 4.396 34.106 29.762 -0.087 0.000 1.879 378 H HN 0.492 9.031 8.280 0.433 0.000 0.544 379 M N -0.866 118.474 119.600 -0.433 0.000 2.721 379 M HA 0.828 nan 4.480 nan 0.000 0.271 379 M C -2.595 173.479 176.300 -0.377 0.000 1.259 379 M CA -1.568 53.454 55.300 -0.464 0.000 0.835 379 M CB 5.104 37.213 32.600 -0.820 0.000 1.689 379 M HN 0.386 8.169 8.290 -0.845 0.000 0.470 380 A N -2.412 120.258 122.820 -0.249 0.000 2.566 380 A HA 0.850 nan 4.320 nan 0.000 0.297 380 A C -2.772 174.765 177.584 -0.077 0.000 1.059 380 A CA -0.071 51.882 52.037 -0.141 0.000 0.691 380 A CB 3.214 22.172 19.000 -0.069 0.000 1.282 380 A HN 0.629 8.638 8.150 -0.235 0.000 0.401 381 I N 0.523 121.073 120.570 -0.033 0.000 2.509 381 I HA 0.506 nan 4.170 nan 0.000 0.293 381 I C -2.291 173.818 176.117 -0.013 0.000 1.020 381 I CA -1.249 60.052 61.300 0.001 0.000 1.088 381 I CB 3.566 41.590 38.000 0.040 0.000 1.267 381 I HN 0.491 8.680 8.210 -0.036 0.000 0.430 382 N N 6.696 125.389 118.700 -0.010 0.000 2.524 382 N HA 0.321 nan 4.740 nan 0.000 0.261 382 N C -1.783 173.671 175.510 -0.094 0.000 0.998 382 N CA -0.819 52.222 53.050 -0.014 0.000 0.915 382 N CB 1.398 39.910 38.487 0.041 0.000 1.187 382 N HN 0.518 8.905 8.380 0.011 0.000 0.507 383 K N 5.102 125.379 120.400 -0.204 0.000 2.514 383 K HA 0.144 nan 4.320 nan 0.000 0.207 383 K C -0.802 175.668 176.600 -0.217 0.000 1.035 383 K CA -1.558 54.460 56.287 -0.448 0.000 1.113 383 K CB 0.776 32.918 32.500 -0.598 0.000 0.846 383 K HN 0.463 8.609 8.250 -0.174 0.000 0.491 384 E N 0.012 120.202 120.200 -0.017 0.000 2.302 384 E HA 0.005 nan 4.350 nan 0.000 0.255 384 E C -0.412 176.315 176.600 0.211 0.000 1.099 384 E CA -0.803 55.645 56.400 0.080 0.000 0.929 384 E CB 1.268 30.992 29.700 0.042 0.000 1.203 384 E HN -0.487 8.073 8.360 -0.015 -0.209 0.459 385 D N -2.287 118.209 120.400 0.160 0.000 2.339 385 D HA 0.039 nan 4.640 nan 0.000 0.217 385 D C -0.379 175.975 176.300 0.090 0.000 1.050 385 D CA 1.058 55.140 54.000 0.136 0.000 0.856 385 D CB 0.371 41.221 40.800 0.083 0.000 0.922 385 D HN 0.385 8.822 8.370 0.112 0.000 0.518 386 S N -1.132 114.617 115.700 0.083 0.000 2.634 386 S HA 0.094 nan 4.470 nan 0.000 0.296 386 S C -0.785 173.853 174.600 0.065 0.000 1.104 386 S CA -0.958 57.279 58.200 0.061 0.000 0.920 386 S CB 2.296 65.523 63.200 0.046 0.000 1.111 386 S HN -0.627 7.678 8.310 0.088 0.057 0.493 387 T N 0.321 114.905 114.554 0.050 0.000 2.928 387 T HA -0.047 nan 4.350 nan 0.000 0.305 387 T C -0.319 174.405 174.700 0.040 0.000 1.035 387 T CA 0.801 62.926 62.100 0.043 0.000 1.145 387 T CB 0.122 69.006 68.868 0.027 0.000 0.963 387 T HN -0.128 8.136 8.240 0.041 0.000 0.545 388 L N 6.719 127.964 121.223 0.037 0.000 2.283 388 L HA 0.242 nan 4.340 nan 0.000 0.287 388 L C -0.640 176.218 176.870 -0.020 0.000 1.073 388 L CA -0.772 54.085 54.840 0.028 0.000 0.822 388 L CB 1.074 43.154 42.059 0.036 0.000 1.186 388 L HN 0.446 8.700 8.230 0.039 0.000 0.436 389 T N 3.427 117.962 114.554 -0.033 0.000 3.252 389 T HA 0.197 nan 4.350 nan 0.000 0.286 389 T C -0.210 174.423 174.700 -0.112 0.000 1.013 389 T CA -1.924 60.139 62.100 -0.062 0.000 0.914 389 T CB -0.383 68.465 68.868 -0.032 0.000 1.131 389 T HN 0.118 8.354 8.240 -0.007 0.000 0.529 390 A N 0.634 123.339 122.820 -0.191 0.000 2.366 390 A HA 0.159 nan 4.320 nan 0.000 0.249 390 A C -0.888 176.485 177.584 -0.352 0.000 1.084 390 A CA -0.290 51.563 52.037 -0.306 0.000 0.794 390 A CB 0.786 19.430 19.000 -0.592 0.000 1.034 390 A HN -0.286 7.752 8.150 -0.186 0.000 0.491 391 T N 1.762 116.127 114.554 -0.315 0.000 2.744 391 T HA 0.370 nan 4.350 nan 0.000 0.291 391 T C -0.642 173.838 174.700 -0.367 0.000 0.957 391 T CA -0.050 61.889 62.100 -0.268 0.000 1.002 391 T CB 0.187 68.956 68.868 -0.164 0.000 0.919 391 T HN -0.218 7.862 8.240 -0.268 0.000 0.468 392 V N 3.257 122.953 119.914 -0.363 0.000 2.815 392 V HA 0.551 nan 4.120 nan 0.000 0.314 392 V C -1.674 174.277 176.094 -0.240 0.000 1.064 392 V CA -3.033 59.053 62.300 -0.356 0.000 0.952 392 V CB 3.082 34.687 31.823 -0.363 0.000 1.020 392 V HN 0.367 8.368 8.190 -0.315 0.000 0.439 393 Q N 3.119 122.834 119.800 -0.142 0.000 2.243 393 Q HA 0.461 nan 4.340 nan 0.000 0.252 393 Q C -0.879 175.034 176.000 -0.145 0.000 0.909 393 Q CA -0.443 55.298 55.803 -0.103 0.000 0.922 393 Q CB 1.250 29.985 28.738 -0.005 0.000 1.215 393 Q HN 0.174 8.392 8.270 -0.087 0.000 0.427 394 T N 0.570 115.007 114.554 -0.195 0.000 2.831 394 T HA 0.459 nan 4.350 nan 0.000 0.287 394 T C -1.310 173.366 174.700 -0.040 0.000 1.070 394 T CA -1.875 60.105 62.100 -0.201 0.000 1.010 394 T CB 3.381 71.970 68.868 -0.466 0.000 1.264 394 T HN -0.050 8.093 8.240 -0.161 0.000 0.532 395 D N -0.207 120.207 120.400 0.022 0.000 2.462 395 D HA 0.350 nan 4.640 nan 0.000 0.221 395 D C -0.521 175.788 176.300 0.015 0.000 1.173 395 D CA 0.381 54.399 54.000 0.031 0.000 0.831 395 D CB 0.539 41.376 40.800 0.062 0.000 1.001 395 D HN 0.361 8.773 8.370 0.070 0.000 0.499 396 M N 1.112 120.700 119.600 -0.021 0.000 2.314 396 M HA 0.042 nan 4.480 nan 0.000 0.342 396 M C -0.382 175.937 176.300 0.032 0.000 1.171 396 M CA -0.241 55.050 55.300 -0.015 0.000 1.098 396 M CB 1.081 33.603 32.600 -0.130 0.000 1.559 396 M HN -0.625 7.549 8.290 -0.060 0.081 0.459 397 A N 2.233 125.117 122.820 0.105 0.000 2.498 397 A HA 0.082 nan 4.320 nan 0.000 0.239 397 A C 0.058 177.745 177.584 0.172 0.000 1.068 397 A CA -0.237 51.870 52.037 0.116 0.000 0.766 397 A CB 0.506 19.574 19.000 0.113 0.000 1.003 397 A HN 0.342 8.567 8.150 0.125 0.000 0.497 398 S N 1.392 117.151 115.700 0.098 0.000 2.579 398 S HA 0.174 nan 4.470 nan 0.000 0.275 398 S C 0.076 174.736 174.600 0.100 0.000 1.345 398 S CA -0.013 58.247 58.200 0.100 0.000 1.031 398 S CB 0.667 63.891 63.200 0.040 0.000 0.892 398 S HN 0.257 8.603 8.310 0.060 0.000 0.529 399 G N 0.753 109.618 108.800 0.109 0.000 2.339 399 G HA2 -0.061 nan 3.960 nan 0.000 0.275 399 G HA3 -0.061 nan 3.960 nan 0.000 0.275 399 G C -3.425 171.482 174.900 0.011 0.000 1.323 399 G CA -0.206 44.885 45.100 -0.014 0.000 0.927 399 G HN 0.024 8.396 8.290 0.136 0.000 0.486 400 Q N 0.728 120.430 119.800 -0.163 0.000 2.316 400 Q HA 0.934 nan 4.340 nan 0.000 0.264 400 Q C -1.304 174.547 176.000 -0.249 0.000 0.987 400 Q CA -0.975 54.781 55.803 -0.079 0.000 0.852 400 Q CB 3.372 32.072 28.738 -0.063 0.000 1.287 400 Q HN 0.252 8.373 8.270 -0.248 0.000 0.448 401 Y N -0.148 120.118 120.300 -0.057 0.000 2.536 401 Y HA 0.596 nan 4.550 nan 0.000 0.347 401 Y C -1.085 174.768 175.900 -0.079 0.000 1.000 401 Y CA -1.991 56.064 58.100 -0.075 0.000 1.051 401 Y CB 4.407 42.821 38.460 -0.077 0.000 1.259 401 Y HN 0.709 9.142 8.280 0.255 0.000 0.468 402 c N 2.054 120.684 118.600 0.051 0.000 2.514 402 c HA 0.151 nan 4.570 nan 0.000 0.392 402 c C -0.202 173.882 174.090 -0.010 0.000 1.294 402 c CA -0.148 56.181 56.329 -0.001 0.000 1.957 402 c CB -0.731 41.758 42.510 -0.034 0.000 2.541 402 c HN 0.414 8.656 8.230 0.021 0.000 0.569 403 N N 4.156 122.842 118.700 -0.024 0.000 2.406 403 N HA -0.034 nan 4.740 nan 0.000 0.269 403 N C 1.606 177.076 175.510 -0.066 0.000 1.210 403 N CA -0.215 52.805 53.050 -0.050 0.000 0.966 403 N CB -0.190 38.259 38.487 -0.064 0.000 1.293 403 N HN 0.055 8.422 8.380 -0.021 0.000 0.491 404 V N 0.853 120.740 119.914 -0.044 0.000 3.186 404 V HA -0.126 nan 4.120 nan 0.000 0.270 404 V C -0.044 176.018 176.094 -0.055 0.000 1.149 404 V CA 1.883 64.172 62.300 -0.017 0.000 1.160 404 V CB -0.949 30.915 31.823 0.068 0.000 0.758 404 V HN -0.060 8.112 8.190 -0.031 0.000 0.516 405 L N -2.101 119.030 121.223 -0.153 0.000 2.341 405 L HA 0.039 nan 4.340 nan 0.000 0.214 405 L C 1.181 177.786 176.870 -0.441 0.000 1.115 405 L CA 1.298 55.940 54.840 -0.330 0.000 0.820 405 L CB -0.152 41.617 42.059 -0.484 0.000 0.944 405 L HN -0.492 7.831 8.230 -0.146 -0.181 0.452 406 K N -4.283 115.956 120.400 -0.270 0.000 2.402 406 K HA 0.195 nan 4.320 nan 0.000 0.204 406 K C -0.142 176.408 176.600 -0.083 0.000 1.056 406 K CA -0.331 55.842 56.287 -0.190 0.000 1.069 406 K CB 2.240 34.648 32.500 -0.152 0.000 0.888 406 K HN -0.229 7.752 8.250 -0.197 0.150 0.546 407 G N -1.656 107.109 108.800 -0.058 0.000 2.321 407 G HA2 0.074 nan 3.960 nan 0.000 0.296 407 G HA3 0.074 nan 3.960 nan 0.000 0.296 407 G C -2.388 172.508 174.900 -0.007 0.000 1.287 407 G CA 0.536 45.624 45.100 -0.020 0.000 0.846 407 G HN -0.866 7.381 8.290 -0.071 0.000 0.508 408 E N -2.430 117.771 120.200 0.002 0.000 2.446 408 E HA 0.239 nan 4.350 nan 0.000 0.276 408 E C -1.781 174.816 176.600 -0.005 0.000 0.969 408 E CA -1.735 54.668 56.400 0.006 0.000 0.800 408 E CB 3.148 32.864 29.700 0.026 0.000 1.341 408 E HN 0.519 8.881 8.360 0.003 0.000 0.460 409 L N -0.267 120.951 121.223 -0.009 0.000 2.380 409 L HA 0.185 nan 4.340 nan 0.000 0.273 409 L C 0.196 177.062 176.870 -0.007 0.000 1.138 409 L CA 0.023 54.853 54.840 -0.018 0.000 0.832 409 L CB 1.074 43.117 42.059 -0.028 0.000 1.124 409 L HN 0.136 8.364 8.230 -0.004 0.000 0.454 410 S N 7.229 122.922 115.700 -0.011 0.000 2.600 410 S HA 0.035 nan 4.470 nan 0.000 0.265 410 S C 1.153 175.750 174.600 -0.005 0.000 1.325 410 S CA -0.298 57.899 58.200 -0.005 0.000 1.002 410 S CB 1.005 64.200 63.200 -0.008 0.000 0.921 410 S HN 0.299 8.598 8.310 -0.018 0.000 0.554 411 A N 4.319 127.139 122.820 -0.001 0.000 1.948 411 A HA -0.245 nan 4.320 nan 0.000 0.220 411 A C 0.217 177.796 177.584 -0.007 0.000 1.177 411 A CA 2.739 54.776 52.037 -0.002 0.000 0.636 411 A CB -0.895 18.106 19.000 0.001 0.000 0.815 411 A HN 0.514 8.665 8.150 0.002 0.000 0.449 412 D N -5.347 115.047 120.400 -0.010 0.000 2.328 412 D HA -0.095 nan 4.640 nan 0.000 0.226 412 D C -0.032 176.255 176.300 -0.021 0.000 1.066 412 D CA -0.938 53.054 54.000 -0.014 0.000 0.861 412 D CB -1.224 39.568 40.800 -0.013 0.000 0.912 412 D HN -0.473 7.876 8.370 -0.008 0.016 0.521 413 A N -1.781 121.025 122.820 -0.024 0.000 2.826 413 A HA -0.455 nan 4.320 nan 0.000 0.274 413 A C 0.131 177.688 177.584 -0.044 0.000 1.443 413 A CA 1.530 53.545 52.037 -0.036 0.000 0.833 413 A CB -1.111 17.864 19.000 -0.041 0.000 1.023 413 A HN 0.087 8.018 8.150 -0.019 0.208 0.600 414 K N -2.878 117.501 120.400 -0.035 0.000 2.361 414 K HA 0.114 nan 4.320 nan 0.000 0.194 414 K C -0.407 176.173 176.600 -0.035 0.000 1.032 414 K CA -0.021 56.245 56.287 -0.035 0.000 1.048 414 K CB 0.730 33.214 32.500 -0.027 0.000 0.842 414 K HN -0.320 8.045 8.250 -0.027 -0.131 0.526 415 S N -3.020 112.661 115.700 -0.031 0.000 2.625 415 S HA 0.184 nan 4.470 nan 0.000 0.271 415 S C -2.316 172.268 174.600 -0.026 0.000 1.161 415 S CA -1.036 57.147 58.200 -0.028 0.000 0.820 415 S CB 2.723 65.911 63.200 -0.019 0.000 1.137 415 S HN -0.490 7.803 8.310 -0.030 0.000 0.470 416 c N -0.366 118.220 118.600 -0.023 0.000 2.595 416 c HA 0.650 nan 4.570 nan 0.000 0.338 416 c C 0.668 174.750 174.090 -0.013 0.000 1.219 416 c CA -1.532 54.785 56.329 -0.020 0.000 1.811 416 c CB 3.936 46.433 42.510 -0.023 0.000 2.313 416 c HN 0.551 8.768 8.230 -0.022 0.000 0.499 417 S N 0.646 116.340 115.700 -0.009 0.000 2.503 417 S HA 0.013 nan 4.470 nan 0.000 0.215 417 S C 0.050 174.644 174.600 -0.010 0.000 1.003 417 S CA 1.131 59.328 58.200 -0.005 0.000 0.910 417 S CB 0.622 63.824 63.200 0.003 0.000 0.790 417 S HN 0.474 8.778 8.310 -0.010 0.000 0.514 418 G N 1.938 110.728 108.800 -0.017 0.000 3.209 418 G HA2 0.208 nan 3.960 nan 0.000 0.236 418 G HA3 0.208 nan 3.960 nan 0.000 0.236 418 G C -2.106 172.781 174.900 -0.021 0.000 1.329 418 G CA -1.347 43.739 45.100 -0.023 0.000 1.015 418 G HN -0.642 7.602 8.290 -0.018 0.035 0.571 419 E N -2.700 117.486 120.200 -0.024 0.000 2.408 419 E HA -0.048 nan 4.350 nan 0.000 0.259 419 E C -0.588 176.003 176.600 -0.015 0.000 1.110 419 E CA -0.344 56.045 56.400 -0.018 0.000 0.929 419 E CB 0.977 30.666 29.700 -0.017 0.000 0.971 419 E HN -0.062 8.280 8.360 -0.031 0.000 0.438 420 V N 0.864 120.773 119.914 -0.008 0.000 2.472 420 V HA 0.519 nan 4.120 nan 0.000 0.290 420 V C -0.559 175.542 176.094 0.010 0.000 1.037 420 V CA -1.025 61.277 62.300 0.003 0.000 0.908 420 V CB 1.028 32.850 31.823 -0.002 0.000 0.985 420 V HN 0.145 8.330 8.190 -0.009 0.000 0.454 421 I N 6.200 126.793 120.570 0.037 0.000 2.441 421 I HA 0.308 nan 4.170 nan 0.000 0.295 421 I C -0.836 175.327 176.117 0.076 0.000 0.994 421 I CA -1.847 59.469 61.300 0.028 0.000 1.144 421 I CB 1.996 39.995 38.000 -0.001 0.000 1.314 421 I HN 1.008 9.151 8.210 0.067 0.107 0.445 422 T N 7.079 121.653 114.554 0.033 0.000 2.771 422 T HA 0.383 nan 4.350 nan 0.000 0.281 422 T C -0.654 174.059 174.700 0.022 0.000 0.982 422 T CA -0.673 61.458 62.100 0.053 0.000 0.978 422 T CB 1.080 69.957 68.868 0.016 0.000 0.930 422 T HN 0.244 8.483 8.240 -0.002 0.000 0.447 423 V N 8.123 128.082 119.914 0.075 0.000 2.333 423 V HA 0.218 nan 4.120 nan 0.000 0.274 423 V C -0.408 175.697 176.094 0.019 0.000 1.028 423 V CA -1.043 61.263 62.300 0.009 0.000 0.851 423 V CB -0.106 31.737 31.823 0.034 0.000 1.000 423 V HN 0.624 8.924 8.190 0.183 0.000 0.456 424 N N 9.608 128.295 118.700 -0.021 0.000 2.297 424 N HA -0.032 nan 4.740 nan 0.000 0.232 424 N C 1.166 176.671 175.510 -0.010 0.000 1.311 424 N CA 0.560 53.599 53.050 -0.017 0.000 0.897 424 N CB 0.762 39.229 38.487 -0.034 0.000 1.137 424 N HN 0.504 8.855 8.380 -0.048 0.000 0.449 425 S N -0.415 115.281 115.700 -0.008 0.000 2.440 425 S HA -0.273 nan 4.470 nan 0.000 0.238 425 S C -0.018 174.577 174.600 -0.007 0.000 1.010 425 S CA 2.994 61.191 58.200 -0.004 0.000 0.972 425 S CB -0.356 62.841 63.200 -0.005 0.000 0.774 425 S HN 0.506 8.810 8.310 -0.010 0.000 0.501 426 D N -1.978 118.412 120.400 -0.016 0.000 2.325 426 D HA 0.060 nan 4.640 nan 0.000 0.225 426 D C 0.967 177.250 176.300 -0.028 0.000 1.096 426 D CA -0.803 53.186 54.000 -0.018 0.000 0.844 426 D CB -0.666 40.122 40.800 -0.020 0.000 0.925 426 D HN -0.342 7.977 8.370 -0.020 0.039 0.513 427 G N -1.035 107.745 108.800 -0.034 0.000 2.179 427 G HA2 -0.409 nan 3.960 nan 0.000 0.260 427 G HA3 -0.409 nan 3.960 nan 0.000 0.260 427 G C -0.553 174.283 174.900 -0.106 0.000 0.977 427 G CA 0.500 45.566 45.100 -0.056 0.000 0.641 427 G HN 0.148 8.237 8.290 -0.024 0.186 0.533 428 T N -2.555 111.939 114.554 -0.100 0.000 2.918 428 T HA 0.638 nan 4.350 nan 0.000 0.283 428 T C -1.344 173.265 174.700 -0.152 0.000 1.001 428 T CA -1.590 60.427 62.100 -0.140 0.000 1.041 428 T CB 1.824 70.624 68.868 -0.112 0.000 1.028 428 T HN -0.485 7.931 8.240 -0.072 -0.220 0.511 429 I N 0.143 120.596 120.570 -0.195 0.000 2.465 429 I HA 0.335 nan 4.170 nan 0.000 0.291 429 I C -1.658 174.359 176.117 -0.165 0.000 1.014 429 I CA -0.742 60.454 61.300 -0.174 0.000 1.093 429 I CB 3.146 41.018 38.000 -0.213 0.000 1.267 429 I HN 0.187 8.260 8.210 -0.229 0.000 0.431 430 N N 7.240 125.866 118.700 -0.124 0.000 2.521 430 N HA 0.260 nan 4.740 nan 0.000 0.236 430 N C 0.080 175.522 175.510 -0.113 0.000 1.067 430 N CA -0.179 52.800 53.050 -0.118 0.000 0.939 430 N CB -0.107 38.330 38.487 -0.083 0.000 1.201 430 N HN 0.400 8.719 8.380 -0.101 0.000 0.511 431 L N 2.239 123.375 121.223 -0.145 0.000 2.483 431 L HA -0.063 nan 4.340 nan 0.000 0.275 431 L C -0.579 176.243 176.870 -0.080 0.000 1.220 431 L CA 0.948 55.715 54.840 -0.121 0.000 0.833 431 L CB 0.555 42.519 42.059 -0.158 0.000 1.102 431 L HN -0.121 7.996 8.230 -0.189 0.000 0.490 432 N N 2.008 120.675 118.700 -0.054 0.000 2.785 432 N HA 0.121 nan 4.740 nan 0.000 0.224 432 N C -1.470 174.033 175.510 -0.011 0.000 1.448 432 N CA -0.083 52.949 53.050 -0.029 0.000 0.748 432 N CB 0.570 39.042 38.487 -0.025 0.000 1.385 432 N HN -0.204 8.144 8.380 -0.054 0.000 0.538 433 I N 2.858 123.427 120.570 -0.001 0.000 2.389 433 I HA 0.273 nan 4.170 nan 0.000 0.288 433 I C -0.845 175.300 176.117 0.047 0.000 0.999 433 I CA -1.214 60.100 61.300 0.024 0.000 1.129 433 I CB 2.786 40.799 38.000 0.022 0.000 1.288 433 I HN 0.129 8.334 8.210 -0.008 0.000 0.444 434 G N 4.206 113.043 108.800 0.062 0.000 2.684 434 G HA2 -0.057 nan 3.960 nan 0.000 0.255 434 G HA3 -0.057 nan 3.960 nan 0.000 0.255 434 G C -1.449 173.521 174.900 0.117 0.000 1.219 434 G CA -0.979 44.167 45.100 0.076 0.000 0.901 434 G HN 0.291 8.617 8.290 0.060 0.000 0.548 435 A N -0.311 122.592 122.820 0.138 0.000 2.540 435 A HA -0.238 nan 4.320 nan 0.000 0.239 435 A C -0.113 177.696 177.584 0.375 0.000 1.061 435 A CA 0.445 52.628 52.037 0.244 0.000 0.758 435 A CB 0.023 19.149 19.000 0.210 0.000 0.991 435 A HN 0.054 8.266 8.150 0.104 0.000 0.502 436 W N -0.844 120.468 121.300 0.020 0.000 5.563 436 W HA -0.451 nan 4.660 nan 0.000 0.396 436 W C -1.976 174.559 176.519 0.028 0.000 1.519 436 W CA 1.275 58.633 57.345 0.022 0.000 0.953 436 W CB -2.089 27.375 29.460 0.007 0.000 2.691 436 W HN 0.432 8.841 8.180 0.383 0.000 1.444 437 D N -2.408 118.101 120.400 0.182 0.000 2.592 437 D HA 0.400 nan 4.640 nan 0.000 0.263 437 D C -2.724 173.674 176.300 0.164 0.000 1.132 437 D CA -2.024 52.091 54.000 0.192 0.000 0.996 437 D CB 4.045 44.954 40.800 0.183 0.000 1.442 437 D HN -0.634 7.821 8.370 0.141 0.000 0.486 438 A N -2.442 120.513 122.820 0.225 0.000 2.599 438 A HA 0.908 nan 4.320 nan 0.000 0.290 438 A C -2.593 175.018 177.584 0.046 0.000 1.101 438 A CA -0.480 51.631 52.037 0.124 0.000 0.674 438 A CB 3.430 22.518 19.000 0.148 0.000 1.277 438 A HN 0.003 8.351 8.150 0.330 0.000 0.419 439 M N -4.152 115.424 119.600 -0.039 0.000 2.484 439 M HA 0.594 nan 4.480 nan 0.000 0.289 439 M C -2.568 173.637 176.300 -0.157 0.000 1.206 439 M CA -1.472 53.776 55.300 -0.087 0.000 0.892 439 M CB 4.480 37.041 32.600 -0.066 0.000 1.712 439 M HN 0.257 8.513 8.290 -0.056 0.000 0.462 440 A N 0.934 123.658 122.820 -0.160 0.000 2.437 440 A HA 0.965 nan 4.320 nan 0.000 0.293 440 A C -2.672 174.902 177.584 -0.017 0.000 1.038 440 A CA -0.346 51.562 52.037 -0.215 0.000 0.708 440 A CB 2.257 21.010 19.000 -0.411 0.000 1.251 440 A HN 0.092 8.390 8.150 -0.122 -0.221 0.409 441 I N -2.132 118.484 120.570 0.077 0.000 2.689 441 I HA 0.754 nan 4.170 nan 0.000 0.299 441 I C -2.621 173.614 176.117 0.197 0.000 1.059 441 I CA -1.706 59.626 61.300 0.053 0.000 1.055 441 I CB 3.337 41.248 38.000 -0.148 0.000 1.243 441 I HN 0.831 9.090 8.210 0.083 0.000 0.425 442 H N 0.715 119.864 119.070 0.131 0.000 2.928 442 H HA 0.493 nan 4.556 nan 0.000 0.371 442 H C 0.272 175.678 175.328 0.130 0.000 1.186 442 H CA -1.665 54.401 56.048 0.031 0.000 1.134 442 H CB 3.116 32.811 29.762 -0.112 0.000 1.824 442 H HN -0.079 8.084 8.280 -0.195 0.000 0.554 443 K N -0.650 119.918 120.400 0.279 0.000 2.281 443 K HA -0.394 nan 4.320 nan 0.000 0.203 443 K C 0.904 177.642 176.600 0.230 0.000 1.046 443 K CA 2.948 59.394 56.287 0.266 0.000 0.938 443 K CB -0.386 32.196 32.500 0.135 0.000 0.737 443 K HN 0.268 8.528 8.250 0.182 0.099 0.458 444 N N -1.030 117.905 118.700 0.392 0.000 2.276 444 N HA 0.038 nan 4.740 nan 0.000 0.212 444 N C -1.000 174.593 175.510 0.139 0.000 1.127 444 N CA 0.518 53.718 53.050 0.250 0.000 0.834 444 N CB 0.188 38.799 38.487 0.207 0.000 1.014 444 N HN -0.468 8.363 8.380 0.818 0.040 0.491 445 A N -0.762 122.007 122.820 -0.085 0.000 2.992 445 A HA 0.223 nan 4.320 nan 0.000 0.263 445 A C -2.439 175.069 177.584 -0.126 0.000 0.928 445 A CA -0.756 51.175 52.037 -0.176 0.000 1.061 445 A CB 0.943 19.684 19.000 -0.432 0.000 1.173 445 A HN -0.431 7.616 8.150 -0.041 0.078 0.482 446 K N 0.051 120.346 120.400 -0.175 0.000 2.183 446 K HA 0.489 nan 4.320 nan 0.000 0.274 446 K C -0.828 175.602 176.600 -0.283 0.000 1.009 446 K CA -1.666 54.360 56.287 -0.435 0.000 0.888 446 K CB 1.330 33.515 32.500 -0.524 0.000 1.078 446 K HN -0.206 7.916 8.250 -0.110 0.061 0.459 447 L N 5.880 126.929 121.223 -0.290 0.000 2.473 447 L HA 0.119 nan 4.340 nan 0.000 0.268 447 L C 0.232 177.014 176.870 -0.146 0.000 1.215 447 L CA 0.730 55.466 54.840 -0.174 0.000 0.823 447 L CB -0.001 41.974 42.059 -0.140 0.000 1.099 447 L HN 0.634 8.526 8.230 -0.383 0.108 0.483 448 N N 0.000 118.642 118.700 -0.097 0.000 1.763 448 N HA 0.000 nan 4.740 nan 0.000 0.220 448 N CA 0.000 53.006 53.050 -0.073 0.000 0.885 448 N CB 0.000 38.450 38.487 -0.062 0.000 1.341 448 N HN 0.000 8.329 8.380 -0.086 0.000 0.667