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 3khy_1_A DATA FIRST_RESID 2 DATA SEQUENCE SEILVLNCGS SSVKFALINP HTSQSLVTGL AENIATKNCK VVFKAEHKIV DATA SEQUENCE KYLENGSYKD VFEXLKDFLV ENKHLEKIVA IGHRVVHGGQ YFSKSVLINA DATA SEQUENCE DSLEKIKACI ALAPLHNPAH IEGIRFCQQI FPELPQVAVF DTAFHQTXPS DATA SEQUENCE YIAEYAIPYE LTHKHNIRKY GAHGTSHKYV SEQAAKILTQ QKANVIVAHL DATA SEQUENCE GNGCSITAVV DGKSIDTSXG LTPLDGLVXG TRSGCIDPSI FAYISDNLGW DATA SEQUENCE SVTEITNXLN KQSGLLGICG HNDXREVSQL AAKGDSLAKL AIEIFSHRVA DATA SEQUENCE KFVASYXIYF NKLDALVFTG GIGENAANIR KNIISKLANL GFXIDHQKNS DATA SEQUENCE NSETFINSKN SHNIXVIATN EELXIAQETQ NLI 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 2 S HA 0.000 nan 4.470 nan 0.000 0.327 2 S C 0.000 174.614 174.600 0.024 0.000 1.055 2 S CA 0.000 58.209 58.200 0.015 0.000 1.107 2 S CB 0.000 63.201 63.200 0.002 0.000 0.593 3 E N 0.581 120.791 120.200 0.016 0.000 2.343 3 E HA 0.633 4.983 4.350 -0.000 0.000 0.270 3 E C -1.060 175.530 176.600 -0.017 0.000 0.895 3 E CA -1.015 55.390 56.400 0.008 0.000 0.767 3 E CB 1.800 31.513 29.700 0.023 0.000 1.248 3 E HN 0.552 nan 8.360 nan 0.000 0.440 4 I N 2.485 123.036 120.570 -0.031 0.000 2.433 4 I HA 0.252 4.422 4.170 -0.000 0.000 0.292 4 I C -0.695 175.376 176.117 -0.078 0.000 1.001 4 I CA -0.880 60.387 61.300 -0.055 0.000 1.119 4 I CB 1.415 39.386 38.000 -0.048 0.000 1.289 4 I HN 0.407 nan 8.210 nan 0.000 0.438 5 L N 8.008 129.161 121.223 -0.116 0.000 2.265 5 L HA 0.422 4.762 4.340 -0.000 0.000 0.288 5 L C -0.560 176.229 176.870 -0.135 0.000 1.058 5 L CA -0.072 54.689 54.840 -0.131 0.000 0.809 5 L CB 1.171 43.100 42.059 -0.216 0.000 1.179 5 L HN 0.291 nan 8.230 nan 0.000 0.429 6 V N 6.932 126.791 119.914 -0.092 0.000 2.398 6 V HA 0.491 4.610 4.120 -0.000 0.000 0.286 6 V C 0.017 176.069 176.094 -0.070 0.000 1.026 6 V CA -0.530 61.706 62.300 -0.107 0.000 0.868 6 V CB 1.427 33.195 31.823 -0.092 0.000 0.982 6 V HN 0.620 nan 8.190 nan 0.000 0.443 7 L N 4.003 125.159 121.223 -0.111 0.000 2.381 7 L HA 0.636 4.976 4.340 -0.000 0.000 0.268 7 L C -0.505 176.386 176.870 0.034 0.000 0.997 7 L CA -0.641 54.192 54.840 -0.012 0.000 0.818 7 L CB 2.267 44.331 42.059 0.008 0.000 1.310 7 L HN 0.545 nan 8.230 nan 0.000 0.416 8 N N 1.307 120.060 118.700 0.088 0.000 2.569 8 N HA 0.294 5.034 4.740 -0.000 0.000 0.254 8 N C -1.364 174.285 175.510 0.232 0.000 1.004 8 N CA -0.347 52.791 53.050 0.148 0.000 0.904 8 N CB 1.052 39.591 38.487 0.087 0.000 1.165 8 N HN 0.503 nan 8.380 nan 0.000 0.513 9 C N 2.693 122.217 119.300 0.373 0.000 2.281 9 C HA 0.762 5.221 4.460 -0.000 0.000 0.336 9 C C 1.331 176.539 174.990 0.363 0.000 1.217 9 C CA -0.647 58.626 59.018 0.426 0.000 1.730 9 C CB -0.532 27.554 27.740 0.576 0.000 2.338 9 C HN 0.704 nan 8.230 nan 0.000 0.521 10 G N 2.042 111.017 108.800 0.292 0.000 2.557 10 G HA2 0.437 4.397 3.960 -0.000 0.000 0.302 10 G HA3 0.437 4.397 3.960 -0.000 0.000 0.302 10 G C 0.939 175.983 174.900 0.239 0.000 1.311 10 G CA 0.211 45.435 45.100 0.207 0.000 1.030 10 G HN 0.710 nan 8.290 nan 0.000 0.509 11 S N -1.018 114.753 115.700 0.118 0.000 2.382 11 S HA -0.135 4.335 4.470 -0.000 0.000 0.228 11 S C 1.755 176.490 174.600 0.225 0.000 1.027 11 S CA 1.704 59.972 58.200 0.113 0.000 0.991 11 S CB -0.223 62.977 63.200 -0.000 0.000 0.823 11 S HN 1.133 nan 8.310 nan 0.000 0.469 12 S N 0.140 115.937 115.700 0.163 0.000 2.846 12 S HA 0.503 4.973 4.470 -0.000 0.000 0.249 12 S C 0.058 174.666 174.600 0.014 0.000 1.028 12 S CA -0.067 58.202 58.200 0.115 0.000 1.043 12 S CB 0.113 63.347 63.200 0.056 0.000 0.990 12 S HN 0.761 nan 8.310 nan 0.000 0.564 13 S N -0.117 115.595 115.700 0.021 0.000 2.550 13 S HA 0.760 5.230 4.470 -0.000 0.000 0.270 13 S C -1.367 173.183 174.600 -0.083 0.000 1.145 13 S CA -0.724 57.427 58.200 -0.083 0.000 0.852 13 S CB 1.687 64.864 63.200 -0.037 0.000 1.119 13 S HN 0.338 nan 8.310 nan 0.000 0.465 14 V N 2.185 121.995 119.914 -0.172 0.000 2.482 14 V HA 0.534 4.654 4.120 -0.000 0.000 0.295 14 V C -0.253 175.808 176.094 -0.056 0.000 1.026 14 V CA -0.638 61.600 62.300 -0.103 0.000 0.856 14 V CB 1.561 33.207 31.823 -0.295 0.000 1.001 14 V HN 0.989 nan 8.190 nan 0.000 0.424 15 K N 5.523 125.904 120.400 -0.031 0.000 2.201 15 K HA 0.686 5.006 4.320 -0.000 0.000 0.278 15 K C -1.196 175.374 176.600 -0.051 0.000 1.027 15 K CA -0.330 55.877 56.287 -0.133 0.000 0.909 15 K CB 1.051 33.483 32.500 -0.113 0.000 1.062 15 K HN 0.593 nan 8.250 nan 0.000 0.465 16 F N 0.886 120.726 119.950 -0.183 0.000 2.613 16 F HA 0.821 5.348 4.527 -0.000 0.000 0.314 16 F C -1.420 174.283 175.800 -0.160 0.000 1.075 16 F CA -1.086 56.813 58.000 -0.168 0.000 0.945 16 F CB 1.527 40.414 39.000 -0.188 0.000 1.310 16 F HN 0.481 nan 8.300 nan 0.000 0.467 17 A N 2.176 125.045 122.820 0.081 0.000 2.574 17 A HA 0.722 5.041 4.320 -0.000 0.000 0.297 17 A C -2.530 175.064 177.584 0.017 0.000 1.062 17 A CA -0.663 51.375 52.037 0.002 0.000 0.686 17 A CB 1.778 20.727 19.000 -0.085 0.000 1.285 17 A HN 0.961 nan 8.150 nan 0.000 0.403 18 L N 2.496 123.716 121.223 -0.005 0.000 2.298 18 L HA 0.742 5.082 4.340 -0.000 0.000 0.284 18 L C -1.002 175.841 176.870 -0.045 0.000 1.013 18 L CA -0.261 54.553 54.840 -0.044 0.000 0.824 18 L CB 0.474 42.469 42.059 -0.106 0.000 1.221 18 L HN 0.576 nan 8.230 nan 0.000 0.418 19 I N 4.391 124.938 120.570 -0.039 0.000 2.545 19 I HA 0.366 4.536 4.170 -0.000 0.000 0.292 19 I C -0.381 175.731 176.117 -0.010 0.000 1.040 19 I CA -0.739 60.543 61.300 -0.031 0.000 1.068 19 I CB 2.042 40.015 38.000 -0.046 0.000 1.251 19 I HN 0.512 nan 8.210 nan 0.000 0.424 20 N N 7.471 126.175 118.700 0.006 0.000 2.462 20 N HA 0.276 5.015 4.740 -0.000 0.000 0.242 20 N C -2.137 173.395 175.510 0.037 0.000 1.010 20 N CA -1.993 51.075 53.050 0.031 0.000 0.939 20 N CB 1.849 40.364 38.487 0.046 0.000 1.127 20 N HN 0.224 nan 8.380 nan 0.000 0.509 21 P HA -0.064 nan 4.420 nan 0.000 0.220 21 P C 0.779 178.131 177.300 0.087 0.000 1.148 21 P CA 1.105 64.236 63.100 0.051 0.000 0.803 21 P CB 0.258 31.987 31.700 0.048 0.000 0.782 22 H N -0.275 118.799 119.070 0.006 0.000 2.415 22 H HA -0.020 4.536 4.556 -0.000 0.000 0.297 22 H C 1.581 176.915 175.328 0.011 0.000 1.048 22 H CA 2.159 58.213 56.048 0.009 0.000 1.365 22 H CB -0.447 29.320 29.762 0.008 0.000 1.421 22 H HN 0.042 nan 8.280 nan 0.000 0.533 23 T N -3.786 110.752 114.554 -0.027 0.000 3.044 23 T HA 0.171 4.521 4.350 -0.000 0.000 0.250 23 T C 1.044 175.715 174.700 -0.049 0.000 1.081 23 T CA 0.487 62.540 62.100 -0.077 0.000 1.040 23 T CB -0.081 68.783 68.868 -0.006 0.000 0.962 23 T HN 0.266 nan 8.240 nan 0.000 0.506 24 S N 0.461 116.148 115.700 -0.021 0.000 3.228 24 S HA -0.174 4.295 4.470 -0.000 0.000 0.282 24 S C 0.027 174.617 174.600 -0.016 0.000 1.286 24 S CA 0.579 58.771 58.200 -0.012 0.000 1.066 24 S CB -1.687 61.508 63.200 -0.007 0.000 1.277 24 S HN 0.828 nan 8.310 nan 0.000 0.661 25 Q N 1.186 120.979 119.800 -0.011 0.000 2.267 25 Q HA 0.487 4.826 4.340 -0.000 0.000 0.255 25 Q C 0.039 176.028 176.000 -0.018 0.000 0.923 25 Q CA -0.043 55.752 55.803 -0.013 0.000 0.925 25 Q CB 1.481 30.218 28.738 -0.002 0.000 1.195 25 Q HN 0.264 nan 8.270 nan 0.000 0.417 26 S N 2.730 118.412 115.700 -0.030 0.000 2.439 26 S HA 0.169 4.639 4.470 -0.000 0.000 0.282 26 S C 0.573 175.159 174.600 -0.023 0.000 1.170 26 S CA -0.489 57.688 58.200 -0.038 0.000 1.054 26 S CB 0.273 63.437 63.200 -0.060 0.000 0.956 26 S HN 0.535 nan 8.310 nan 0.000 0.490 27 L N 5.904 127.118 121.223 -0.015 0.000 2.168 27 L HA 0.344 4.684 4.340 -0.000 0.000 0.203 27 L C 0.120 176.998 176.870 0.013 0.000 1.078 27 L CA 0.684 55.530 54.840 0.010 0.000 0.780 27 L CB -0.260 41.813 42.059 0.024 0.000 0.939 27 L HN 0.481 nan 8.230 nan 0.000 0.451 28 V N -1.471 118.435 119.914 -0.013 0.000 2.888 28 V HA 0.645 4.765 4.120 -0.000 0.000 0.309 28 V C -0.411 175.671 176.094 -0.019 0.000 1.114 28 V CA -0.542 61.775 62.300 0.028 0.000 0.940 28 V CB 1.981 33.861 31.823 0.095 0.000 1.021 28 V HN 0.274 nan 8.190 nan 0.000 0.426 29 T N 0.005 114.504 114.554 -0.091 0.000 2.901 29 T HA 0.989 5.339 4.350 -0.000 0.000 0.293 29 T C -0.220 174.156 174.700 -0.539 0.000 1.084 29 T CA -0.246 61.693 62.100 -0.269 0.000 1.008 29 T CB 2.294 71.014 68.868 -0.247 0.000 1.170 29 T HN 1.532 nan 8.240 nan 0.000 0.509 30 G N -0.310 107.804 108.800 -1.143 0.000 2.506 30 G HA2 0.591 4.551 3.960 -0.000 0.000 0.292 30 G HA3 0.591 4.551 3.960 -0.000 0.000 0.292 30 G C -2.433 171.571 174.900 -1.494 0.000 1.425 30 G CA -0.744 43.407 45.100 -1.581 0.000 0.788 30 G HN 1.179 nan 8.290 nan 0.000 0.490 31 L N 0.049 120.691 121.223 -0.967 0.000 2.614 31 L HA 0.801 5.141 4.340 -0.000 0.000 0.264 31 L C -0.208 176.450 176.870 -0.355 0.000 0.940 31 L CA -0.348 54.170 54.840 -0.536 0.000 0.903 31 L CB 1.546 43.379 42.059 -0.377 0.000 1.306 31 L HN 1.362 nan 8.230 nan 0.000 0.410 32 A N 4.038 126.714 122.820 -0.240 0.000 2.301 32 A HA 0.802 5.122 4.320 -0.000 0.000 0.298 32 A C -0.405 177.048 177.584 -0.219 0.000 1.185 32 A CA -0.278 51.608 52.037 -0.252 0.000 0.830 32 A CB 0.572 19.391 19.000 -0.302 0.000 1.112 32 A HN 0.768 nan 8.150 nan 0.000 0.508 33 E N 1.186 121.272 120.200 -0.190 0.000 2.343 33 E HA 0.342 4.692 4.350 -0.000 0.000 0.270 33 E C -0.791 175.749 176.600 -0.100 0.000 0.895 33 E CA -1.008 55.312 56.400 -0.132 0.000 0.767 33 E CB 1.248 30.878 29.700 -0.118 0.000 1.248 33 E HN 0.721 nan 8.360 nan 0.000 0.440 34 N N 0.993 119.657 118.700 -0.061 0.000 2.735 34 N HA -0.206 4.533 4.740 -0.000 0.000 0.248 34 N C -0.342 175.149 175.510 -0.032 0.000 1.083 34 N CA 0.763 53.795 53.050 -0.030 0.000 0.703 34 N CB -1.716 36.762 38.487 -0.014 0.000 1.005 34 N HN 0.522 nan 8.380 nan 0.000 0.550 35 I N 0.416 120.953 120.570 -0.055 0.000 2.815 35 I HA 0.003 4.173 4.170 -0.000 0.000 0.291 35 I C 1.523 177.649 176.117 0.015 0.000 1.209 35 I CA 1.013 62.276 61.300 -0.061 0.000 1.431 35 I CB 0.244 38.157 38.000 -0.144 0.000 1.351 35 I HN 0.422 nan 8.210 nan 0.000 0.585 36 A N 3.273 126.105 122.820 0.020 0.000 2.887 36 A HA -0.192 4.128 4.320 -0.000 0.000 0.257 36 A C 0.580 178.185 177.584 0.035 0.000 1.372 36 A CA 1.381 53.445 52.037 0.045 0.000 0.879 36 A CB -2.522 16.526 19.000 0.081 0.000 1.082 36 A HN 0.930 nan 8.150 nan 0.000 0.703 37 T N -4.897 109.671 114.554 0.024 0.000 2.910 37 T HA 0.696 5.045 4.350 -0.000 0.000 0.287 37 T C 0.770 175.486 174.700 0.026 0.000 1.050 37 T CA -0.014 62.100 62.100 0.023 0.000 1.011 37 T CB 1.287 70.167 68.868 0.019 0.000 1.195 37 T HN 0.130 nan 8.240 nan 0.000 0.540 38 K N 0.718 121.134 120.400 0.026 0.000 2.152 38 K HA 0.051 4.371 4.320 -0.000 0.000 0.206 38 K C 1.398 178.027 176.600 0.048 0.000 1.048 38 K CA 1.249 57.554 56.287 0.030 0.000 0.933 38 K CB -0.200 32.312 32.500 0.021 0.000 0.721 38 K HN 0.460 nan 8.250 nan 0.000 0.447 39 N N 0.180 118.909 118.700 0.050 0.000 2.276 39 N HA 0.001 4.740 4.740 -0.000 0.000 0.212 39 N C -0.496 175.058 175.510 0.074 0.000 1.127 39 N CA -0.063 53.036 53.050 0.081 0.000 0.834 39 N CB -0.163 38.361 38.487 0.062 0.000 1.014 39 N HN 0.120 nan 8.380 nan 0.000 0.491 40 C N 2.696 122.022 119.300 0.043 0.000 2.596 40 C HA 0.149 4.609 4.460 -0.000 0.000 0.414 40 C C 0.471 175.450 174.990 -0.018 0.000 1.396 40 C CA 0.051 59.066 59.018 -0.006 0.000 1.698 40 C CB -1.481 26.250 27.740 -0.014 0.000 2.572 40 C HN 0.513 nan 8.230 nan 0.000 0.604 41 K N 4.417 124.745 120.400 -0.120 0.000 2.568 41 K HA 0.749 5.069 4.320 -0.000 0.000 0.273 41 K C -1.978 174.462 176.600 -0.267 0.000 0.951 41 K CA -0.926 55.210 56.287 -0.252 0.000 0.854 41 K CB 1.288 33.487 32.500 -0.503 0.000 1.424 41 K HN 0.301 nan 8.250 nan 0.000 0.427 42 V N 1.769 121.515 119.914 -0.281 0.000 2.444 42 V HA 0.358 4.478 4.120 -0.000 0.000 0.294 42 V C -0.541 175.315 176.094 -0.397 0.000 1.022 42 V CA -0.923 61.168 62.300 -0.349 0.000 0.850 42 V CB 1.581 33.191 31.823 -0.354 0.000 0.992 42 V HN 0.610 nan 8.190 nan 0.000 0.426 43 V N 5.197 124.842 119.914 -0.449 0.000 2.439 43 V HA 0.518 4.638 4.120 -0.000 0.000 0.282 43 V C -0.576 175.204 176.094 -0.523 0.000 1.039 43 V CA -0.279 61.807 62.300 -0.357 0.000 0.913 43 V CB 1.168 32.821 31.823 -0.283 0.000 0.983 43 V HN 0.668 nan 8.190 nan 0.000 0.460 44 F N 3.262 123.115 119.950 -0.162 0.000 2.493 44 F HA 0.573 5.100 4.527 -0.000 0.000 0.329 44 F C 0.338 176.063 175.800 -0.124 0.000 1.126 44 F CA -0.731 57.144 58.000 -0.208 0.000 0.937 44 F CB 1.881 40.668 39.000 -0.356 0.000 1.146 44 F HN 0.284 nan 8.300 nan 0.000 0.442 45 K N 2.984 123.399 120.400 0.025 0.000 2.521 45 K HA 0.739 5.058 4.320 -0.000 0.000 0.248 45 K C -0.188 176.451 176.600 0.064 0.000 0.978 45 K CA -0.371 55.932 56.287 0.028 0.000 0.947 45 K CB 1.897 34.363 32.500 -0.057 0.000 1.165 45 K HN 0.740 nan 8.250 nan 0.000 0.445 46 A N 1.895 124.791 122.820 0.125 0.000 3.078 46 A HA 0.210 4.530 4.320 -0.000 0.000 0.206 46 A C 1.239 178.835 177.584 0.020 0.000 1.967 46 A CA -0.118 51.990 52.037 0.118 0.000 1.845 46 A CB -0.121 19.020 19.000 0.235 0.000 1.345 46 A HN 0.543 nan 8.150 nan 0.000 0.393 47 E N 0.240 120.432 120.200 -0.014 0.000 2.077 47 E HA -0.062 4.288 4.350 -0.000 0.000 0.193 47 E C -0.005 176.315 176.600 -0.467 0.000 0.989 47 E CA 0.975 57.240 56.400 -0.225 0.000 0.800 47 E CB -0.150 29.421 29.700 -0.216 0.000 0.746 47 E HN 0.598 nan 8.360 nan 0.000 0.452 48 H N -0.966 118.144 119.070 0.067 0.000 2.907 48 H HA 0.324 4.880 4.556 -0.000 0.000 0.361 48 H C -0.282 175.087 175.328 0.068 0.000 1.194 48 H CA -0.784 55.297 56.048 0.055 0.000 1.152 48 H CB 1.330 31.122 29.762 0.049 0.000 1.867 48 H HN -0.155 nan 8.280 nan 0.000 0.561 49 K N 1.637 122.150 120.400 0.189 0.000 2.234 49 K HA 0.411 4.731 4.320 -0.000 0.000 0.282 49 K C -0.867 175.813 176.600 0.133 0.000 1.039 49 K CA -0.213 56.145 56.287 0.118 0.000 0.928 49 K CB 0.321 32.860 32.500 0.064 0.000 1.039 49 K HN 0.405 nan 8.250 nan 0.000 0.470 50 I N 4.456 125.116 120.570 0.149 0.000 2.498 50 I HA 0.228 4.397 4.170 -0.000 0.000 0.290 50 I C -0.982 175.221 176.117 0.144 0.000 1.032 50 I CA -1.236 60.159 61.300 0.159 0.000 1.073 50 I CB 2.205 40.327 38.000 0.204 0.000 1.251 50 I HN 0.295 nan 8.210 nan 0.000 0.426 51 V N 6.411 126.375 119.914 0.083 0.000 2.384 51 V HA 0.373 4.493 4.120 -0.000 0.000 0.287 51 V C -0.187 175.889 176.094 -0.031 0.000 1.020 51 V CA -0.772 61.507 62.300 -0.036 0.000 0.850 51 V CB 1.541 33.297 31.823 -0.113 0.000 0.987 51 V HN 0.615 nan 8.190 nan 0.000 0.436 52 K N 4.863 125.228 120.400 -0.058 0.000 2.339 52 K HA 0.532 4.852 4.320 -0.000 0.000 0.264 52 K C -1.340 175.189 176.600 -0.119 0.000 0.986 52 K CA -0.551 55.754 56.287 0.029 0.000 0.866 52 K CB 1.650 34.256 32.500 0.177 0.000 1.103 52 K HN 0.540 nan 8.250 nan 0.000 0.441 53 Y N 1.832 122.158 120.300 0.043 0.000 2.301 53 Y HA 0.302 4.852 4.550 -0.000 0.000 0.325 53 Y C 0.162 176.074 175.900 0.019 0.000 1.203 53 Y CA -0.705 57.406 58.100 0.019 0.000 1.255 53 Y CB 0.874 39.341 38.460 0.012 0.000 1.232 53 Y HN 0.358 nan 8.280 nan 0.000 0.501 54 L N 3.187 124.495 121.223 0.141 0.000 2.457 54 L HA 0.271 4.611 4.340 -0.000 0.000 0.259 54 L C -0.793 176.118 176.870 0.068 0.000 1.377 54 L CA -0.228 54.661 54.840 0.081 0.000 0.887 54 L CB 0.471 42.550 42.059 0.033 0.000 1.085 54 L HN 0.583 nan 8.230 nan 0.000 0.509 55 E N 2.090 122.338 120.200 0.080 0.000 2.729 55 E HA -0.103 4.247 4.350 -0.000 0.000 0.246 55 E C 0.292 176.915 176.600 0.039 0.000 0.984 55 E CA 0.845 57.280 56.400 0.057 0.000 0.951 55 E CB -0.005 29.721 29.700 0.043 0.000 0.914 55 E HN 0.616 nan 8.360 nan 0.000 0.509 56 N N 0.865 119.585 118.700 0.033 0.000 2.741 56 N HA -0.176 4.563 4.740 -0.000 0.000 0.251 56 N C 0.217 175.742 175.510 0.026 0.000 1.112 56 N CA 0.248 53.315 53.050 0.028 0.000 0.750 56 N CB -0.825 37.678 38.487 0.028 0.000 1.119 56 N HN 0.603 nan 8.380 nan 0.000 0.561 57 G N 0.590 109.400 108.800 0.017 0.000 2.353 57 G HA2 0.300 4.260 3.960 -0.000 0.000 0.239 57 G HA3 0.300 4.260 3.960 -0.000 0.000 0.239 57 G C 0.539 175.443 174.900 0.007 0.000 1.295 57 G CA 0.288 45.392 45.100 0.007 0.000 0.884 57 G HN 0.374 nan 8.290 nan 0.000 0.537 58 S N 1.913 117.627 115.700 0.025 0.000 2.614 58 S HA 0.094 4.564 4.470 -0.000 0.000 0.265 58 S C 1.125 175.745 174.600 0.033 0.000 1.303 58 S CA -0.507 57.729 58.200 0.061 0.000 1.000 58 S CB 0.730 63.982 63.200 0.088 0.000 0.935 58 S HN 0.575 nan 8.310 nan 0.000 0.551 59 Y N 1.197 121.468 120.300 -0.048 0.000 2.207 59 Y HA -0.156 4.394 4.550 -0.000 0.000 0.287 59 Y C 2.621 178.329 175.900 -0.320 0.000 1.156 59 Y CA 2.190 60.198 58.100 -0.154 0.000 1.182 59 Y CB -0.101 38.317 38.460 -0.069 0.000 0.979 59 Y HN 0.818 nan 8.280 nan 0.000 0.521 60 K N 0.006 120.351 120.400 -0.092 0.000 2.057 60 K HA -0.190 4.130 4.320 -0.000 0.000 0.206 60 K C 1.460 178.053 176.600 -0.012 0.000 1.050 60 K CA 1.809 58.030 56.287 -0.109 0.000 0.935 60 K CB -0.154 32.404 32.500 0.097 0.000 0.715 60 K HN 0.278 nan 8.250 nan 0.000 0.439 61 D N 0.515 120.911 120.400 -0.006 0.000 2.123 61 D HA -0.149 4.491 4.640 -0.000 0.000 0.196 61 D C 1.982 178.253 176.300 -0.048 0.000 0.992 61 D CA 0.981 54.975 54.000 -0.009 0.000 0.833 61 D CB -0.256 40.543 40.800 -0.002 0.000 0.954 61 D HN 0.032 nan 8.370 nan 0.000 0.455 62 V N 0.669 120.502 119.914 -0.134 0.000 2.287 62 V HA -0.256 3.863 4.120 -0.000 0.000 0.248 62 V C 2.227 178.171 176.094 -0.250 0.000 1.053 62 V CA 1.411 63.559 62.300 -0.253 0.000 1.027 62 V CB -0.596 30.942 31.823 -0.475 0.000 0.646 62 V HN 0.063 nan 8.190 nan 0.000 0.447 63 F N 0.074 119.909 119.950 -0.192 0.000 2.171 63 F HA -0.063 4.464 4.527 -0.000 0.000 0.300 63 F C 1.680 177.438 175.800 -0.071 0.000 1.090 63 F CA 0.871 58.797 58.000 -0.123 0.000 1.293 63 F CB -0.255 38.653 39.000 -0.153 0.000 1.013 63 F HN 0.222 nan 8.300 nan 0.000 0.486 67 K N 0.379 120.930 120.400 0.251 0.000 2.032 67 K HA -0.176 4.144 4.320 -0.000 0.000 0.209 67 K C 1.289 178.009 176.600 0.201 0.000 1.048 67 K CA 2.239 58.706 56.287 0.301 0.000 0.927 67 K CB -0.096 32.503 32.500 0.165 0.000 0.712 67 K HN 0.443 nan 8.250 nan 0.000 0.441 68 D N 0.124 120.609 120.400 0.142 0.000 2.104 68 D HA -0.197 4.443 4.640 -0.000 0.000 0.194 68 D C 1.635 177.983 176.300 0.080 0.000 0.994 68 D CA 1.074 55.127 54.000 0.089 0.000 0.830 68 D CB -0.334 40.507 40.800 0.067 0.000 0.959 68 D HN 0.240 nan 8.370 nan 0.000 0.452 69 F N 1.093 121.015 119.950 -0.046 0.000 2.134 69 F HA -0.110 4.417 4.527 -0.000 0.000 0.299 69 F C 2.099 177.901 175.800 0.003 0.000 1.097 69 F CA 1.090 59.008 58.000 -0.137 0.000 1.264 69 F CB -0.161 38.624 39.000 -0.359 0.000 1.001 69 F HN -0.103 nan 8.300 nan 0.000 0.479 70 L N -0.929 120.456 121.223 0.270 0.000 2.156 70 L HA -0.156 4.184 4.340 -0.000 0.000 0.208 70 L C 2.237 179.161 176.870 0.090 0.000 1.095 70 L CA 0.513 55.503 54.840 0.250 0.000 0.770 70 L CB -0.656 41.556 42.059 0.254 0.000 0.914 70 L HN 0.043 nan 8.230 nan 0.000 0.439 71 V N -0.163 119.783 119.914 0.054 0.000 2.255 71 V HA -0.216 3.904 4.120 -0.000 0.000 0.243 71 V C 2.301 178.344 176.094 -0.086 0.000 1.038 71 V CA 1.613 63.915 62.300 0.002 0.000 1.008 71 V CB -0.416 31.422 31.823 0.025 0.000 0.645 71 V HN 0.405 nan 8.190 nan 0.000 0.449 72 E N 0.687 120.812 120.200 -0.126 0.000 2.114 72 E HA -0.225 4.125 4.350 -0.000 0.000 0.199 72 E C 1.403 177.843 176.600 -0.267 0.000 1.008 72 E CA 1.502 57.790 56.400 -0.186 0.000 0.810 72 E CB -0.203 29.368 29.700 -0.216 0.000 0.739 72 E HN 0.559 nan 8.360 nan 0.000 0.456 73 N N 0.300 118.768 118.700 -0.387 0.000 2.268 73 N HA 0.046 4.786 4.740 -0.000 0.000 0.204 73 N C -0.604 174.572 175.510 -0.556 0.000 1.124 73 N CA 0.154 52.913 53.050 -0.485 0.000 0.838 73 N CB 0.653 38.749 38.487 -0.652 0.000 0.994 73 N HN 0.084 nan 8.380 nan 0.000 0.489 74 K N -0.043 120.158 120.400 -0.332 0.000 3.129 74 K HA -0.190 4.130 4.320 -0.000 0.000 0.273 74 K C 0.142 176.589 176.600 -0.255 0.000 1.123 74 K CA 0.467 56.608 56.287 -0.244 0.000 0.800 74 K CB -1.308 31.066 32.500 -0.210 0.000 1.238 74 K HN 0.430 nan 8.250 nan 0.000 0.492 75 H N -0.299 118.749 119.070 -0.038 0.000 2.451 75 H HA 0.068 4.623 4.556 -0.000 0.000 0.294 75 H C 2.095 177.424 175.328 0.002 0.000 1.028 75 H CA 1.010 57.056 56.048 -0.004 0.000 1.349 75 H CB 0.087 29.868 29.762 0.031 0.000 1.444 75 H HN 0.291 nan 8.280 nan 0.000 0.538 76 L N 1.417 122.717 121.223 0.128 0.000 2.013 76 L HA -0.215 4.125 4.340 -0.000 0.000 0.212 76 L C 2.004 178.911 176.870 0.062 0.000 1.073 76 L CA 1.614 56.512 54.840 0.096 0.000 0.753 76 L CB -0.145 41.987 42.059 0.122 0.000 0.890 76 L HN 0.215 nan 8.230 nan 0.000 0.432 77 E N -0.446 119.780 120.200 0.044 0.000 2.267 77 E HA -0.244 4.106 4.350 -0.000 0.000 0.197 77 E C 1.815 178.431 176.600 0.026 0.000 0.998 77 E CA 1.080 57.497 56.400 0.029 0.000 0.830 77 E CB 0.029 29.736 29.700 0.011 0.000 0.751 77 E HN 0.537 nan 8.360 nan 0.000 0.491 78 K N 0.205 120.626 120.400 0.035 0.000 2.379 78 K HA 0.144 4.464 4.320 -0.000 0.000 0.194 78 K C 0.396 177.010 176.600 0.024 0.000 1.031 78 K CA 0.024 56.330 56.287 0.033 0.000 1.037 78 K CB 0.476 33.007 32.500 0.052 0.000 0.824 78 K HN 0.077 nan 8.250 nan 0.000 0.516 79 I N 1.308 121.887 120.570 0.015 0.000 2.471 79 I HA -0.059 4.111 4.170 -0.000 0.000 0.286 79 I C 1.146 177.253 176.117 -0.018 0.000 1.079 79 I CA -0.006 61.283 61.300 -0.019 0.000 1.398 79 I CB 1.526 39.485 38.000 -0.069 0.000 1.403 79 I HN -0.139 nan 8.210 nan 0.000 0.530 80 V N 6.447 126.349 119.914 -0.020 0.000 3.621 80 V HA 0.499 4.619 4.120 -0.000 0.000 0.263 80 V C 0.556 176.641 176.094 -0.014 0.000 1.272 80 V CA 0.920 63.214 62.300 -0.010 0.000 1.080 80 V CB 0.465 32.285 31.823 -0.004 0.000 0.816 80 V HN 0.860 nan 8.190 nan 0.000 0.451 81 A N -0.365 122.434 122.820 -0.035 0.000 2.566 81 A HA 0.716 5.036 4.320 -0.000 0.000 0.290 81 A C -1.607 175.932 177.584 -0.076 0.000 1.071 81 A CA -0.542 51.474 52.037 -0.035 0.000 0.658 81 A CB 1.087 20.076 19.000 -0.017 0.000 1.285 81 A HN 0.152 nan 8.150 nan 0.000 0.427 82 I N 0.936 121.465 120.570 -0.067 0.000 2.436 82 I HA 0.562 4.732 4.170 -0.000 0.000 0.289 82 I C 0.554 176.586 176.117 -0.140 0.000 1.010 82 I CA -0.592 60.626 61.300 -0.138 0.000 1.098 82 I CB 2.185 40.108 38.000 -0.129 0.000 1.266 82 I HN 0.786 nan 8.210 nan 0.000 0.434 83 G N 4.797 113.475 108.800 -0.204 0.000 2.368 83 G HA2 0.483 4.442 3.960 -0.000 0.000 0.320 83 G HA3 0.483 4.442 3.960 -0.000 0.000 0.320 83 G C -0.800 173.933 174.900 -0.278 0.000 1.158 83 G CA -0.315 44.684 45.100 -0.169 0.000 0.912 83 G HN 0.582 nan 8.290 nan 0.000 0.456 84 H N 1.702 120.696 119.070 -0.126 0.000 2.481 84 H HA 0.285 4.841 4.556 -0.000 0.000 0.333 84 H C 0.028 175.201 175.328 -0.259 0.000 1.066 84 H CA -0.587 55.378 56.048 -0.139 0.000 1.209 84 H CB 2.186 31.870 29.762 -0.130 0.000 1.445 84 H HN 0.475 nan 8.280 nan 0.000 0.488 85 R N 2.457 122.879 120.500 -0.130 0.000 2.489 85 R HA 0.250 4.589 4.340 -0.000 0.000 0.287 85 R C -1.076 174.906 176.300 -0.530 0.000 1.053 85 R CA -0.246 55.707 56.100 -0.245 0.000 1.036 85 R CB 0.340 30.562 30.300 -0.130 0.000 0.966 85 R HN 0.292 nan 8.270 nan 0.000 0.432 86 V N 6.615 126.177 119.914 -0.588 0.000 2.483 86 V HA 0.071 4.190 4.120 -0.000 0.000 0.297 86 V C 1.101 177.085 176.094 -0.184 0.000 1.027 86 V CA -0.585 61.291 62.300 -0.707 0.000 0.855 86 V CB 1.645 33.153 31.823 -0.526 0.000 0.995 86 V HN 0.838 nan 8.190 nan 0.000 0.424 87 V N 0.738 120.698 119.914 0.077 0.000 2.515 87 V HA 0.049 4.168 4.120 -0.000 0.000 0.250 87 V C 0.770 176.980 176.094 0.193 0.000 1.058 87 V CA 1.419 63.814 62.300 0.158 0.000 1.064 87 V CB -0.424 31.489 31.823 0.151 0.000 0.675 87 V HN 0.840 nan 8.190 nan 0.000 0.461 88 H N -0.165 119.030 119.070 0.209 0.000 2.924 88 H HA 0.590 5.146 4.556 -0.000 0.000 0.333 88 H C 0.422 175.869 175.328 0.198 0.000 0.979 88 H CA 0.130 56.268 56.048 0.149 0.000 1.326 88 H CB 1.858 31.655 29.762 0.058 0.000 1.600 88 H HN 0.232 nan 8.280 nan 0.000 0.520 89 G N 2.328 111.309 108.800 0.301 0.000 3.453 89 G HA2 0.350 4.310 3.960 -0.000 0.000 0.263 89 G HA3 0.350 4.310 3.960 -0.000 0.000 0.263 89 G C 0.890 175.917 174.900 0.211 0.000 1.060 89 G CA 0.267 45.471 45.100 0.173 0.000 0.793 89 G HN 0.973 nan 8.290 nan 0.000 0.532 90 G N 1.049 109.975 108.800 0.209 0.000 2.594 90 G HA2 -0.365 3.595 3.960 -0.000 0.000 0.297 90 G HA3 -0.365 3.595 3.960 -0.000 0.000 0.297 90 G C 0.829 175.781 174.900 0.087 0.000 1.273 90 G CA 0.578 45.651 45.100 -0.044 0.000 0.974 90 G HN 0.418 nan 8.290 nan 0.000 0.552 91 Q N -0.476 119.336 119.800 0.020 0.000 2.360 91 Q HA 0.217 4.557 4.340 -0.000 0.000 0.202 91 Q C 2.046 177.902 176.000 -0.241 0.000 0.915 91 Q CA 0.394 56.162 55.803 -0.058 0.000 0.943 91 Q CB 0.242 28.919 28.738 -0.101 0.000 1.064 91 Q HN 0.652 nan 8.270 nan 0.000 0.511 92 Y N -0.722 119.436 120.300 -0.237 0.000 2.263 92 Y HA -0.087 4.463 4.550 -0.000 0.000 0.292 92 Y C 0.383 175.829 175.900 -0.756 0.000 1.130 92 Y CA 0.707 58.466 58.100 -0.568 0.000 1.179 92 Y CB 0.361 38.298 38.460 -0.871 0.000 0.998 92 Y HN -0.035 nan 8.280 nan 0.000 0.532 93 F N -0.663 119.209 119.950 -0.131 0.000 2.460 93 F HA 0.296 4.823 4.527 -0.000 0.000 0.341 93 F C 0.667 176.378 175.800 -0.148 0.000 1.130 93 F CA -1.094 56.741 58.000 -0.274 0.000 0.962 93 F CB 1.494 39.929 39.000 -0.941 0.000 1.171 93 F HN -0.231 nan 8.300 nan 0.000 0.436 94 S N 1.416 117.186 115.700 0.116 0.000 2.554 94 S HA 0.319 4.788 4.470 -0.000 0.000 0.226 94 S C -0.066 174.623 174.600 0.149 0.000 0.980 94 S CA -0.322 57.937 58.200 0.098 0.000 0.939 94 S CB -0.305 62.921 63.200 0.045 0.000 0.832 94 S HN 0.698 nan 8.310 nan 0.000 0.486 95 K N -0.649 119.883 120.400 0.219 0.000 2.617 95 K HA 0.540 4.860 4.320 -0.000 0.000 0.293 95 K C -1.215 175.576 176.600 0.318 0.000 1.034 95 K CA -0.814 55.610 56.287 0.229 0.000 0.884 95 K CB 0.514 33.115 32.500 0.167 0.000 1.541 95 K HN -0.091 nan 8.250 nan 0.000 0.409 96 S N 0.286 116.126 115.700 0.235 0.000 2.584 96 S HA 0.412 4.882 4.470 -0.000 0.000 0.270 96 S C -0.194 174.518 174.600 0.187 0.000 1.346 96 S CA -0.400 57.911 58.200 0.186 0.000 1.018 96 S CB 0.787 64.022 63.200 0.059 0.000 0.899 96 S HN 0.596 nan 8.310 nan 0.000 0.542 97 V N 0.202 120.199 119.914 0.140 0.000 3.012 97 V HA 0.561 4.681 4.120 -0.000 0.000 0.307 97 V C -0.716 175.417 176.094 0.064 0.000 1.166 97 V CA -1.245 61.141 62.300 0.144 0.000 0.974 97 V CB 1.083 33.060 31.823 0.257 0.000 1.040 97 V HN 0.724 nan 8.190 nan 0.000 0.428 98 L N 3.869 125.134 121.223 0.071 0.000 2.485 98 L HA 0.253 4.593 4.340 -0.000 0.000 0.275 98 L C 0.239 177.136 176.870 0.046 0.000 1.207 98 L CA -0.089 54.780 54.840 0.048 0.000 0.855 98 L CB 0.297 42.386 42.059 0.051 0.000 1.114 98 L HN 0.510 nan 8.230 nan 0.000 0.485 99 I N 3.526 124.110 120.570 0.023 0.000 2.452 99 I HA 0.108 4.278 4.170 -0.000 0.000 0.287 99 I C 0.031 176.162 176.117 0.022 0.000 1.079 99 I CA 0.312 61.617 61.300 0.009 0.000 1.387 99 I CB 0.004 37.991 38.000 -0.022 0.000 1.404 99 I HN 0.761 nan 8.210 nan 0.000 0.522 100 N N 4.147 122.866 118.700 0.032 0.000 2.972 100 N HA 0.524 5.263 4.740 -0.000 0.000 0.262 100 N C 0.407 175.931 175.510 0.023 0.000 1.478 100 N CA -0.448 52.617 53.050 0.026 0.000 0.841 100 N CB 0.600 39.108 38.487 0.036 0.000 1.512 100 N HN 0.285 nan 8.380 nan 0.000 0.548 101 A N -0.288 122.540 122.820 0.014 0.000 1.917 101 A HA -0.240 4.080 4.320 -0.000 0.000 0.219 101 A C 1.245 178.839 177.584 0.016 0.000 1.182 101 A CA 2.145 54.187 52.037 0.007 0.000 0.633 101 A CB -1.062 17.939 19.000 0.002 0.000 0.819 101 A HN 0.745 nan 8.150 nan 0.000 0.448 102 D N 0.053 120.470 120.400 0.028 0.000 2.078 102 D HA -0.134 4.506 4.640 -0.000 0.000 0.193 102 D C 2.565 178.903 176.300 0.064 0.000 0.990 102 D CA 2.114 56.134 54.000 0.033 0.000 0.827 102 D CB -0.664 40.160 40.800 0.039 0.000 0.975 102 D HN 0.590 nan 8.370 nan 0.000 0.451 103 S N 0.617 116.391 115.700 0.122 0.000 2.382 103 S HA -0.101 4.369 4.470 -0.000 0.000 0.228 103 S C 2.317 177.034 174.600 0.195 0.000 1.027 103 S CA 0.521 58.873 58.200 0.253 0.000 0.991 103 S CB -0.749 62.612 63.200 0.269 0.000 0.823 103 S HN 0.212 nan 8.310 nan 0.000 0.469 104 L N 1.278 122.550 121.223 0.082 0.000 2.042 104 L HA -0.135 4.205 4.340 -0.000 0.000 0.210 104 L C 2.959 179.842 176.870 0.022 0.000 1.076 104 L CA 1.786 56.649 54.840 0.038 0.000 0.749 104 L CB -0.588 41.469 42.059 -0.002 0.000 0.893 104 L HN 0.453 nan 8.230 nan 0.000 0.432 105 E N -0.056 120.144 120.200 0.000 0.000 2.058 105 E HA -0.258 4.092 4.350 -0.000 0.000 0.194 105 E C 2.184 178.719 176.600 -0.107 0.000 0.997 105 E CA 1.294 57.667 56.400 -0.044 0.000 0.801 105 E CB 0.003 29.673 29.700 -0.049 0.000 0.746 105 E HN 0.452 nan 8.360 nan 0.000 0.450 106 K N 0.535 120.851 120.400 -0.139 0.000 2.026 106 K HA -0.120 4.200 4.320 -0.000 0.000 0.208 106 K C 2.214 178.720 176.600 -0.156 0.000 1.048 106 K CA 1.095 57.130 56.287 -0.420 0.000 0.929 106 K CB -0.179 32.038 32.500 -0.471 0.000 0.713 106 K HN 0.120 nan 8.250 nan 0.000 0.439 107 I N 1.545 122.218 120.570 0.172 0.000 2.208 107 I HA -0.327 3.843 4.170 -0.000 0.000 0.245 107 I C 2.588 178.763 176.117 0.097 0.000 1.097 107 I CA 1.312 62.740 61.300 0.213 0.000 1.363 107 I CB -0.265 37.843 38.000 0.179 0.000 1.051 107 I HN 0.194 nan 8.210 nan 0.000 0.413 108 K N 1.524 121.942 120.400 0.030 0.000 2.147 108 K HA -0.160 4.160 4.320 -0.000 0.000 0.205 108 K C 2.040 178.640 176.600 0.000 0.000 1.049 108 K CA 1.405 57.698 56.287 0.011 0.000 0.936 108 K CB -0.072 32.421 32.500 -0.012 0.000 0.722 108 K HN 0.307 nan 8.250 nan 0.000 0.446 109 A N 0.108 122.900 122.820 -0.047 0.000 2.168 109 A HA -0.059 4.260 4.320 -0.000 0.000 0.215 109 A C 1.813 179.438 177.584 0.069 0.000 1.152 109 A CA 0.946 52.973 52.037 -0.016 0.000 0.716 109 A CB -0.421 18.519 19.000 -0.100 0.000 0.794 109 A HN 0.512 nan 8.150 nan 0.000 0.465 110 C N -0.128 119.217 119.300 0.075 0.000 2.697 110 C HA 0.209 4.669 4.460 -0.000 0.000 0.267 110 C C 2.165 177.174 174.990 0.033 0.000 1.278 110 C CA -0.503 58.568 59.018 0.087 0.000 1.708 110 C CB -1.187 26.655 27.740 0.170 0.000 1.860 110 C HN 0.568 nan 8.230 nan 0.000 0.589 111 I N 2.195 122.789 120.570 0.041 0.000 2.151 111 I HA -0.246 3.923 4.170 -0.000 0.000 0.243 111 I C 2.771 178.889 176.117 0.002 0.000 1.080 111 I CA 2.156 63.474 61.300 0.029 0.000 1.339 111 I CB -1.541 36.472 38.000 0.021 0.000 1.039 111 I HN 0.323 nan 8.210 nan 0.000 0.409 112 A N 0.623 123.440 122.820 -0.005 0.000 2.024 112 A HA -0.161 4.159 4.320 -0.000 0.000 0.220 112 A C 2.360 179.908 177.584 -0.060 0.000 1.164 112 A CA 1.296 53.324 52.037 -0.015 0.000 0.643 112 A CB -0.742 18.261 19.000 0.006 0.000 0.806 112 A HN 0.465 nan 8.150 nan 0.000 0.451 113 L N -1.953 119.181 121.223 -0.149 0.000 2.313 113 L HA 0.097 4.437 4.340 -0.000 0.000 0.214 113 L C 1.266 177.999 176.870 -0.229 0.000 1.119 113 L CA 0.762 55.391 54.840 -0.351 0.000 0.809 113 L CB -0.100 41.424 42.059 -0.892 0.000 0.933 113 L HN 0.395 nan 8.230 nan 0.000 0.449 114 A N -0.679 122.105 122.820 -0.061 0.000 3.300 114 A HA 0.378 4.698 4.320 -0.000 0.000 0.300 114 A C -1.983 175.654 177.584 0.087 0.000 1.099 114 A CA -0.651 51.442 52.037 0.094 0.000 0.846 114 A CB 0.078 19.204 19.000 0.209 0.000 1.255 114 A HN -0.115 nan 8.150 nan 0.000 0.519 115 P HA -0.097 nan 4.420 nan 0.000 0.222 115 P C 0.978 178.260 177.300 -0.030 0.000 1.147 115 P CA 0.877 63.981 63.100 0.007 0.000 0.790 115 P CB 0.246 31.947 31.700 0.002 0.000 0.780 116 L N -2.548 118.636 121.223 -0.065 0.000 2.585 116 L HA 0.143 4.483 4.340 -0.000 0.000 0.226 116 L C 1.945 178.579 176.870 -0.393 0.000 1.113 116 L CA 0.463 55.167 54.840 -0.226 0.000 0.876 116 L CB -0.491 41.387 42.059 -0.302 0.000 1.072 116 L HN 0.026 nan 8.230 nan 0.000 0.468 117 H N -2.159 116.863 119.070 -0.079 0.000 2.521 117 H HA 0.135 4.691 4.556 -0.000 0.000 0.267 117 H C 1.780 176.883 175.328 -0.376 0.000 0.963 117 H CA 0.103 56.009 56.048 -0.237 0.000 1.175 117 H CB 0.313 29.982 29.762 -0.156 0.000 1.450 117 H HN 0.018 nan 8.280 nan 0.000 0.472 118 N N 0.941 119.663 118.700 0.036 0.000 2.166 118 N HA -0.086 4.654 4.740 -0.000 0.000 0.186 118 N C -1.219 174.323 175.510 0.053 0.000 1.019 118 N CA 1.112 54.246 53.050 0.139 0.000 0.856 118 N CB -1.012 37.590 38.487 0.192 0.000 0.993 118 N HN 0.311 nan 8.380 nan 0.000 0.426 119 P HA -0.054 nan 4.420 nan 0.000 0.215 119 P C 0.995 178.267 177.300 -0.046 0.000 1.157 119 P CA 1.508 64.591 63.100 -0.029 0.000 0.863 119 P CB -0.063 31.609 31.700 -0.046 0.000 0.787 120 A N -0.725 122.045 122.820 -0.083 0.000 1.933 120 A HA -0.237 4.083 4.320 -0.000 0.000 0.218 120 A C 2.075 179.689 177.584 0.050 0.000 1.175 120 A CA 1.496 53.500 52.037 -0.055 0.000 0.628 120 A CB -1.690 17.278 19.000 -0.053 0.000 0.814 120 A HN 0.198 nan 8.150 nan 0.000 0.444 121 H N -0.002 119.126 119.070 0.097 0.000 2.319 121 H HA -0.091 4.465 4.556 -0.000 0.000 0.299 121 H C 2.108 177.433 175.328 -0.005 0.000 1.092 121 H CA 1.692 57.789 56.048 0.081 0.000 1.302 121 H CB -0.557 29.244 29.762 0.064 0.000 1.373 121 H HN 0.507 nan 8.280 nan 0.000 0.497 122 I N 0.767 121.396 120.570 0.099 0.000 2.179 122 I HA -0.238 3.932 4.170 -0.000 0.000 0.242 122 I C 2.361 178.436 176.117 -0.071 0.000 1.088 122 I CA 1.292 62.584 61.300 -0.013 0.000 1.357 122 I CB -0.222 37.768 38.000 -0.017 0.000 1.051 122 I HN 0.223 nan 8.210 nan 0.000 0.409 123 E N 0.699 120.852 120.200 -0.078 0.000 2.085 123 E HA -0.195 4.155 4.350 -0.000 0.000 0.194 123 E C 2.265 178.819 176.600 -0.077 0.000 0.994 123 E CA 1.335 57.627 56.400 -0.180 0.000 0.801 123 E CB -0.385 29.192 29.700 -0.206 0.000 0.743 123 E HN 0.598 nan 8.360 nan 0.000 0.453 124 G N 1.016 109.910 108.800 0.156 0.000 2.440 124 G HA2 -0.254 3.706 3.960 -0.000 0.000 0.218 124 G HA3 -0.254 3.706 3.960 -0.000 0.000 0.218 124 G C 1.586 176.609 174.900 0.206 0.000 1.154 124 G CA 0.720 46.068 45.100 0.414 0.000 0.767 124 G HN 0.145 nan 8.290 nan 0.000 0.552 125 I N 0.052 120.596 120.570 -0.044 0.000 2.226 125 I HA -0.174 3.996 4.170 -0.000 0.000 0.245 125 I C 3.066 179.118 176.117 -0.109 0.000 1.100 125 I CA 1.061 62.222 61.300 -0.233 0.000 1.374 125 I CB -0.178 37.594 38.000 -0.380 0.000 1.057 125 I HN 0.100 nan 8.210 nan 0.000 0.413 126 R N -0.114 120.292 120.500 -0.157 0.000 2.075 126 R HA -0.130 4.210 4.340 -0.000 0.000 0.232 126 R C 2.289 178.454 176.300 -0.226 0.000 1.126 126 R CA 1.387 57.360 56.100 -0.211 0.000 0.963 126 R CB -0.382 29.738 30.300 -0.300 0.000 0.858 126 R HN 0.151 nan 8.270 nan 0.000 0.435 127 F N 0.335 120.153 119.950 -0.220 0.000 2.120 127 F HA -0.300 4.227 4.527 -0.000 0.000 0.300 127 F C 2.501 178.060 175.800 -0.402 0.000 1.095 127 F CA 1.019 58.788 58.000 -0.384 0.000 1.249 127 F CB -0.714 37.860 39.000 -0.711 0.000 0.995 127 F HN 0.072 nan 8.300 nan 0.000 0.480 128 C N -0.692 118.558 119.300 -0.083 0.000 2.435 128 C HA -0.156 4.304 4.460 -0.000 0.000 0.279 128 C C 2.708 177.761 174.990 0.105 0.000 1.321 128 C CA 0.661 59.746 59.018 0.111 0.000 1.752 128 C CB -1.164 26.770 27.740 0.324 0.000 1.959 128 C HN 0.501 nan 8.230 nan 0.000 0.500 129 Q N 0.098 119.914 119.800 0.028 0.000 2.124 129 Q HA -0.221 4.119 4.340 -0.000 0.000 0.202 129 Q C 2.274 178.264 176.000 -0.017 0.000 0.977 129 Q CA 1.413 57.223 55.803 0.012 0.000 0.850 129 Q CB -0.169 28.554 28.738 -0.026 0.000 0.901 129 Q HN 0.742 nan 8.270 nan 0.000 0.429 130 Q N -0.038 119.728 119.800 -0.057 0.000 2.049 130 Q HA -0.054 4.286 4.340 -0.000 0.000 0.198 130 Q C 2.001 177.935 176.000 -0.111 0.000 0.971 130 Q CA 0.943 56.705 55.803 -0.068 0.000 0.833 130 Q CB 0.180 28.884 28.738 -0.056 0.000 0.896 130 Q HN 0.409 nan 8.270 nan 0.000 0.434 131 I N -0.957 119.484 120.570 -0.215 0.000 2.703 131 I HA -0.057 4.112 4.170 -0.000 0.000 0.259 131 I C 0.152 175.897 176.117 -0.621 0.000 1.151 131 I CA 0.507 61.523 61.300 -0.474 0.000 1.470 131 I CB 0.462 38.035 38.000 -0.712 0.000 1.112 131 I HN 0.022 nan 8.210 nan 0.000 0.437 132 F N 1.710 121.674 119.950 0.022 0.000 2.530 132 F HA 0.335 4.862 4.527 -0.000 0.000 0.318 132 F C -1.596 174.218 175.800 0.024 0.000 1.356 132 F CA -2.272 55.746 58.000 0.032 0.000 1.135 132 F CB -0.242 38.785 39.000 0.045 0.000 1.315 132 F HN -0.126 nan 8.300 nan 0.000 0.549 133 P HA -0.169 nan 4.420 nan 0.000 0.220 133 P C 0.802 178.150 177.300 0.079 0.000 1.148 133 P CA 1.483 64.626 63.100 0.072 0.000 0.803 133 P CB 0.382 32.101 31.700 0.032 0.000 0.782 134 E N -0.638 119.620 120.200 0.097 0.000 2.371 134 E HA 0.061 4.411 4.350 -0.000 0.000 0.194 134 E C 0.695 177.339 176.600 0.073 0.000 1.012 134 E CA 0.011 56.456 56.400 0.075 0.000 0.860 134 E CB -0.076 29.667 29.700 0.071 0.000 0.811 134 E HN 0.317 nan 8.360 nan 0.000 0.502 135 L N 2.678 123.960 121.223 0.097 0.000 2.292 135 L HA 0.284 4.624 4.340 -0.000 0.000 0.284 135 L C -2.172 174.736 176.870 0.063 0.000 1.065 135 L CA -2.296 52.587 54.840 0.070 0.000 0.806 135 L CB 0.413 42.508 42.059 0.061 0.000 1.175 135 L HN -0.190 nan 8.230 nan 0.000 0.431 136 P HA 0.144 nan 4.420 nan 0.000 0.272 136 P C -1.273 176.057 177.300 0.050 0.000 1.223 136 P CA -0.321 62.805 63.100 0.042 0.000 0.784 136 P CB 0.553 32.271 31.700 0.030 0.000 0.923 137 Q N 0.154 119.991 119.800 0.062 0.000 2.394 137 Q HA 0.660 5.000 4.340 -0.000 0.000 0.273 137 Q C -1.303 174.738 176.000 0.067 0.000 1.089 137 Q CA -1.061 54.800 55.803 0.097 0.000 0.812 137 Q CB 2.602 31.434 28.738 0.158 0.000 1.353 137 Q HN 0.119 nan 8.270 nan 0.000 0.438 138 V N 0.775 120.731 119.914 0.071 0.000 2.735 138 V HA 0.731 4.851 4.120 -0.000 0.000 0.310 138 V C -0.947 175.117 176.094 -0.050 0.000 1.061 138 V CA -0.757 61.544 62.300 0.001 0.000 0.913 138 V CB 1.914 33.727 31.823 -0.017 0.000 1.005 138 V HN 0.874 nan 8.190 nan 0.000 0.428 139 A N 4.062 126.762 122.820 -0.200 0.000 2.292 139 A HA 0.840 5.160 4.320 -0.000 0.000 0.319 139 A C -0.848 176.307 177.584 -0.715 0.000 1.206 139 A CA -0.478 51.256 52.037 -0.505 0.000 0.835 139 A CB 1.242 19.811 19.000 -0.718 0.000 1.164 139 A HN 0.718 nan 8.150 nan 0.000 0.505 140 V N 3.178 122.678 119.914 -0.690 0.000 2.407 140 V HA 0.411 4.530 4.120 -0.000 0.000 0.291 140 V C -1.070 174.701 176.094 -0.538 0.000 1.018 140 V CA -0.255 61.758 62.300 -0.477 0.000 0.842 140 V CB 0.719 32.410 31.823 -0.219 0.000 0.996 140 V HN 0.708 nan 8.190 nan 0.000 0.426 141 F N 2.219 122.118 119.950 -0.085 0.000 2.408 141 F HA 0.427 4.953 4.527 -0.000 0.000 0.344 141 F C 1.308 177.091 175.800 -0.029 0.000 1.112 141 F CA -0.697 57.262 58.000 -0.067 0.000 1.096 141 F CB 1.038 40.020 39.000 -0.031 0.000 1.129 141 F HN 0.435 nan 8.300 nan 0.000 0.486 142 D N 0.341 120.810 120.400 0.115 0.000 2.309 142 D HA -0.108 4.532 4.640 -0.000 0.000 0.212 142 D C 2.033 178.402 176.300 0.115 0.000 0.968 142 D CA 1.471 55.519 54.000 0.081 0.000 0.882 142 D CB -0.182 40.644 40.800 0.043 0.000 0.918 142 D HN 0.625 nan 8.370 nan 0.000 0.503 143 T N -2.836 111.788 114.554 0.116 0.000 3.037 143 T HA 0.354 4.704 4.350 -0.000 0.000 0.251 143 T C 1.991 176.775 174.700 0.140 0.000 1.079 143 T CA 0.422 62.582 62.100 0.100 0.000 1.067 143 T CB 0.281 69.077 68.868 -0.121 0.000 0.948 143 T HN 0.028 nan 8.240 nan 0.000 0.496 144 A N 1.649 124.574 122.820 0.174 0.000 1.877 144 A HA 0.045 4.365 4.320 -0.000 0.000 0.216 144 A C 1.896 179.556 177.584 0.126 0.000 1.186 144 A CA 1.306 53.445 52.037 0.170 0.000 0.620 144 A CB -1.217 17.940 19.000 0.262 0.000 0.822 144 A HN 0.455 nan 8.150 nan 0.000 0.443 145 F N 0.770 120.663 119.950 -0.095 0.000 2.192 145 F HA -0.219 4.308 4.527 -0.000 0.000 0.301 145 F C 2.123 177.796 175.800 -0.212 0.000 1.079 145 F CA 1.950 59.836 58.000 -0.191 0.000 1.303 145 F CB -0.269 38.553 39.000 -0.297 0.000 1.024 145 F HN 0.422 nan 8.300 nan 0.000 0.494 146 H N -0.727 118.319 119.070 -0.039 0.000 2.547 146 H HA 0.097 4.653 4.556 -0.000 0.000 0.266 146 H C 1.735 176.958 175.328 -0.175 0.000 0.988 146 H CA 0.428 56.366 56.048 -0.183 0.000 1.147 146 H CB -0.144 29.570 29.762 -0.079 0.000 1.365 146 H HN 0.358 nan 8.280 nan 0.000 0.589 147 Q N 1.045 120.825 119.800 -0.034 0.000 2.488 147 Q HA -0.021 4.319 4.340 -0.000 0.000 0.211 147 Q C 1.038 176.976 176.000 -0.104 0.000 0.967 147 Q CA 0.355 56.133 55.803 -0.041 0.000 0.926 147 Q CB -0.123 28.617 28.738 0.003 0.000 0.992 147 Q HN 0.550 nan 8.270 nan 0.000 0.506 151 S N -0.360 115.260 115.700 -0.133 0.000 2.382 151 S HA -0.155 4.315 4.470 -0.000 0.000 0.228 151 S C 1.656 176.197 174.600 -0.098 0.000 1.027 151 S CA 1.718 59.851 58.200 -0.113 0.000 0.991 151 S CB -0.761 62.427 63.200 -0.020 0.000 0.823 151 S HN 0.723 nan 8.310 nan 0.000 0.469 152 Y N 0.234 120.491 120.300 -0.072 0.000 2.574 152 Y HA 0.194 4.744 4.550 -0.000 0.000 0.294 152 Y C 1.541 177.404 175.900 -0.063 0.000 1.142 152 Y CA 0.489 58.557 58.100 -0.054 0.000 1.314 152 Y CB -0.493 37.950 38.460 -0.030 0.000 0.991 152 Y HN 0.197 nan 8.280 nan 0.000 0.555 153 I N -0.034 120.182 120.570 -0.590 0.000 3.039 153 I HA 0.106 4.276 4.170 -0.000 0.000 0.270 153 I C 2.518 178.436 176.117 -0.332 0.000 1.150 153 I CA 0.705 61.728 61.300 -0.462 0.000 1.448 153 I CB -0.200 37.452 38.000 -0.580 0.000 1.197 153 I HN 0.267 nan 8.210 nan 0.000 0.450 154 A N 0.222 122.823 122.820 -0.365 0.000 1.970 154 A HA 0.005 4.325 4.320 -0.000 0.000 0.216 154 A C 1.037 178.306 177.584 -0.524 0.000 1.170 154 A CA 0.512 52.300 52.037 -0.415 0.000 0.645 154 A CB -0.338 18.428 19.000 -0.390 0.000 0.816 154 A HN 0.311 nan 8.150 nan 0.000 0.447 155 E N -0.422 119.544 120.200 -0.391 0.000 2.373 155 E HA 0.286 4.636 4.350 -0.000 0.000 0.267 155 E C -1.091 175.308 176.600 -0.335 0.000 1.032 155 E CA -0.262 55.913 56.400 -0.375 0.000 0.889 155 E CB 0.370 29.945 29.700 -0.210 0.000 0.984 155 E HN 0.499 nan 8.360 nan 0.000 0.425 156 Y N 0.130 120.369 120.300 -0.102 0.000 2.334 156 Y HA 0.289 4.839 4.550 -0.000 0.000 0.325 156 Y C 0.690 176.568 175.900 -0.037 0.000 1.308 156 Y CA -0.941 57.124 58.100 -0.058 0.000 1.389 156 Y CB 0.740 39.168 38.460 -0.054 0.000 1.328 156 Y HN 0.511 nan 8.280 nan 0.000 0.532 157 A N 3.309 126.233 122.820 0.173 0.000 3.078 157 A HA 0.517 4.837 4.320 -0.000 0.000 0.279 157 A C -0.183 177.450 177.584 0.081 0.000 1.594 157 A CA -0.197 51.899 52.037 0.099 0.000 1.301 157 A CB -1.750 17.297 19.000 0.079 0.000 1.162 157 A HN 0.628 nan 8.150 nan 0.000 0.585 158 I N -2.676 117.943 120.570 0.082 0.000 3.239 158 I HA 0.706 4.876 4.170 -0.000 0.000 0.314 158 I C -2.797 173.365 176.117 0.075 0.000 1.126 158 I CA -3.175 58.163 61.300 0.064 0.000 0.973 158 I CB 1.139 39.173 38.000 0.057 0.000 1.252 158 I HN -0.009 nan 8.210 nan 0.000 0.463 159 P HA 0.010 nan 4.420 nan 0.000 0.264 159 P C 0.045 177.439 177.300 0.157 0.000 1.183 159 P CA 0.240 63.411 63.100 0.119 0.000 0.763 159 P CB 0.197 31.960 31.700 0.105 0.000 0.807 160 Y N 3.210 123.566 120.300 0.092 0.000 2.096 160 Y HA -0.338 4.212 4.550 -0.000 0.000 0.278 160 Y C 2.263 178.272 175.900 0.182 0.000 1.192 160 Y CA 2.444 60.643 58.100 0.164 0.000 1.143 160 Y CB -0.150 38.393 38.460 0.138 0.000 0.963 160 Y HN 0.525 nan 8.280 nan 0.000 0.505 161 E N -0.240 120.154 120.200 0.323 0.000 2.110 161 E HA -0.197 4.153 4.350 -0.000 0.000 0.193 161 E C 2.111 178.803 176.600 0.153 0.000 0.988 161 E CA 1.357 57.895 56.400 0.229 0.000 0.804 161 E CB -0.296 29.538 29.700 0.224 0.000 0.745 161 E HN 0.620 nan 8.360 nan 0.000 0.458 162 L N 0.189 121.504 121.223 0.153 0.000 2.056 162 L HA -0.138 4.202 4.340 -0.000 0.000 0.207 162 L C 2.588 179.475 176.870 0.029 0.000 1.078 162 L CA 1.424 56.359 54.840 0.159 0.000 0.749 162 L CB -0.512 41.601 42.059 0.089 0.000 0.901 162 L HN 0.205 nan 8.230 nan 0.000 0.433 163 T N -1.804 112.676 114.554 -0.123 0.000 2.708 163 T HA -0.172 4.178 4.350 -0.000 0.000 0.266 163 T C 1.750 176.150 174.700 -0.500 0.000 1.037 163 T CA 1.318 63.196 62.100 -0.371 0.000 1.146 163 T CB -0.178 68.316 68.868 -0.623 0.000 0.865 163 T HN 0.382 nan 8.240 nan 0.000 0.435 164 H N 0.074 118.981 119.070 -0.271 0.000 2.379 164 H HA 0.267 4.823 4.556 -0.000 0.000 0.308 164 H C 2.374 177.589 175.328 -0.188 0.000 1.047 164 H CA 0.837 56.714 56.048 -0.286 0.000 1.371 164 H CB -0.106 29.352 29.762 -0.505 0.000 1.449 164 H HN 0.235 nan 8.280 nan 0.000 0.564 165 K N 0.804 121.153 120.400 -0.086 0.000 2.057 165 K HA -0.136 4.183 4.320 -0.000 0.000 0.207 165 K C 0.888 177.274 176.600 -0.357 0.000 1.049 165 K CA 1.456 57.587 56.287 -0.259 0.000 0.931 165 K CB 0.089 32.340 32.500 -0.415 0.000 0.714 165 K HN 0.357 nan 8.250 nan 0.000 0.440 166 H N -0.300 118.771 119.070 0.003 0.000 2.652 166 H HA 0.248 4.803 4.556 -0.000 0.000 0.274 166 H C -0.401 174.933 175.328 0.009 0.000 1.021 166 H CA -0.058 55.995 56.048 0.007 0.000 1.187 166 H CB 0.609 30.377 29.762 0.010 0.000 1.505 166 H HN 0.248 nan 8.280 nan 0.000 0.530 167 N N 0.602 119.330 118.700 0.046 0.000 2.741 167 N HA -0.183 4.557 4.740 -0.000 0.000 0.250 167 N C -0.751 174.836 175.510 0.128 0.000 1.115 167 N CA 0.657 53.743 53.050 0.060 0.000 0.724 167 N CB -1.638 36.909 38.487 0.100 0.000 1.090 167 N HN 0.442 nan 8.380 nan 0.000 0.558 168 I N 1.617 122.230 120.570 0.072 0.000 2.322 168 I HA 0.209 4.379 4.170 -0.000 0.000 0.292 168 I C 1.035 177.161 176.117 0.016 0.000 1.060 168 I CA -0.035 61.334 61.300 0.115 0.000 1.309 168 I CB 0.474 38.544 38.000 0.116 0.000 1.415 168 I HN 0.136 nan 8.210 nan 0.000 0.492 169 R N 4.375 124.837 120.500 -0.063 0.000 2.752 169 R HA 0.378 4.718 4.340 -0.000 0.000 0.277 169 R C -1.425 174.538 176.300 -0.561 0.000 1.024 169 R CA -1.209 54.607 56.100 -0.474 0.000 0.866 169 R CB 1.105 31.037 30.300 -0.613 0.000 1.278 169 R HN 0.279 nan 8.270 nan 0.000 0.473 170 K N 0.954 120.861 120.400 -0.821 0.000 2.379 170 K HA 0.113 4.433 4.320 -0.000 0.000 0.284 170 K C -0.649 175.645 176.600 -0.509 0.000 1.044 170 K CA 0.035 56.044 56.287 -0.464 0.000 0.974 170 K CB 0.377 32.618 32.500 -0.433 0.000 0.962 170 K HN 0.573 nan 8.250 nan 0.000 0.474 171 Y N 2.859 123.136 120.300 -0.039 0.000 2.558 171 Y HA 0.198 4.748 4.550 -0.000 0.000 0.273 171 Y C 1.189 177.046 175.900 -0.073 0.000 1.100 171 Y CA 0.557 58.632 58.100 -0.041 0.000 1.276 171 Y CB 0.553 39.005 38.460 -0.014 0.000 1.196 171 Y HN 1.023 nan 8.280 nan 0.000 0.527 172 G N 0.789 109.609 108.800 0.033 0.000 2.796 172 G HA2 0.181 4.141 3.960 -0.000 0.000 0.226 172 G HA3 0.181 4.141 3.960 -0.000 0.000 0.226 172 G C -0.301 174.637 174.900 0.063 0.000 1.381 172 G CA -0.239 44.793 45.100 -0.113 0.000 0.867 172 G HN 0.874 nan 8.290 nan 0.000 0.552 173 A N -2.703 120.176 122.820 0.097 0.000 2.791 173 A HA 0.849 5.168 4.320 -0.000 0.000 0.309 173 A C 0.543 178.304 177.584 0.296 0.000 1.200 173 A CA 0.825 52.949 52.037 0.145 0.000 0.635 173 A CB -0.298 18.663 19.000 -0.064 0.000 1.393 173 A HN 2.437 nan 8.150 nan 0.000 0.557 174 H N -1.123 118.009 119.070 0.104 0.000 2.884 174 H HA -0.235 4.320 4.556 -0.000 0.000 0.289 174 H C 1.479 176.867 175.328 0.099 0.000 1.142 174 H CA 0.656 56.680 56.048 -0.039 0.000 1.158 174 H CB -1.131 28.485 29.762 -0.243 0.000 1.325 174 H HN 1.126 nan 8.280 nan 0.000 0.366 175 G N -0.427 108.528 108.800 0.258 0.000 2.442 175 G HA2 -0.297 3.663 3.960 -0.000 0.000 0.219 175 G HA3 -0.297 3.663 3.960 -0.000 0.000 0.219 175 G C 1.592 176.477 174.900 -0.024 0.000 1.141 175 G CA 1.428 46.582 45.100 0.091 0.000 0.763 175 G HN 0.457 nan 8.290 nan 0.000 0.554 176 T N 0.264 114.803 114.554 -0.025 0.000 2.867 176 T HA -0.079 4.271 4.350 -0.000 0.000 0.268 176 T C 2.641 177.281 174.700 -0.100 0.000 1.057 176 T CA 1.494 63.546 62.100 -0.080 0.000 1.136 176 T CB -0.157 68.675 68.868 -0.061 0.000 0.874 176 T HN 0.353 nan 8.240 nan 0.000 0.466 177 S N 0.311 115.947 115.700 -0.107 0.000 2.371 177 S HA -0.139 4.331 4.470 -0.000 0.000 0.224 177 S C 1.973 176.503 174.600 -0.117 0.000 1.029 177 S CA 0.719 58.859 58.200 -0.100 0.000 0.978 177 S CB -0.394 62.717 63.200 -0.148 0.000 0.833 177 S HN 0.537 nan 8.310 nan 0.000 0.466 178 H N 1.115 120.167 119.070 -0.031 0.000 2.387 178 H HA -0.026 4.530 4.556 -0.000 0.000 0.299 178 H C 2.237 177.301 175.328 -0.440 0.000 1.099 178 H CA 1.624 57.638 56.048 -0.056 0.000 1.315 178 H CB -0.298 29.580 29.762 0.193 0.000 1.380 178 H HN 0.463 nan 8.280 nan 0.000 0.513 179 K N 0.202 120.120 120.400 -0.804 0.000 2.001 179 K HA -0.186 4.134 4.320 -0.000 0.000 0.208 179 K C 2.251 178.620 176.600 -0.385 0.000 1.048 179 K CA 1.150 56.783 56.287 -1.091 0.000 0.932 179 K CB -0.265 31.635 32.500 -1.001 0.000 0.715 179 K HN 0.149 nan 8.250 nan 0.000 0.437 180 Y N 1.029 121.152 120.300 -0.295 0.000 2.128 180 Y HA -0.255 4.295 4.550 -0.000 0.000 0.284 180 Y C 1.836 177.661 175.900 -0.124 0.000 1.154 180 Y CA 1.703 59.702 58.100 -0.168 0.000 1.149 180 Y CB -0.308 38.074 38.460 -0.131 0.000 0.976 180 Y HN -0.133 nan 8.280 nan 0.000 0.505 181 V N 0.169 120.042 119.914 -0.069 0.000 2.427 181 V HA -0.274 3.846 4.120 -0.000 0.000 0.248 181 V C 2.572 178.586 176.094 -0.133 0.000 1.051 181 V CA 2.014 64.252 62.300 -0.103 0.000 1.048 181 V CB -0.973 30.867 31.823 0.028 0.000 0.666 181 V HN 0.660 nan 8.190 nan 0.000 0.456 182 S N -0.299 115.351 115.700 -0.084 0.000 2.402 182 S HA -0.203 4.267 4.470 -0.000 0.000 0.229 182 S C 1.771 176.324 174.600 -0.079 0.000 1.021 182 S CA 1.394 59.578 58.200 -0.027 0.000 0.974 182 S CB -0.435 62.816 63.200 0.085 0.000 0.800 182 S HN 0.697 nan 8.310 nan 0.000 0.484 183 E N 0.916 121.020 120.200 -0.160 0.000 2.077 183 E HA -0.137 4.213 4.350 -0.000 0.000 0.193 183 E C 2.427 178.901 176.600 -0.209 0.000 0.989 183 E CA 1.245 57.544 56.400 -0.169 0.000 0.800 183 E CB -0.129 29.451 29.700 -0.200 0.000 0.746 183 E HN 0.512 nan 8.360 nan 0.000 0.452 184 Q N -0.015 119.587 119.800 -0.330 0.000 2.119 184 Q HA -0.079 4.261 4.340 -0.000 0.000 0.201 184 Q C 2.184 178.090 176.000 -0.157 0.000 0.972 184 Q CA 1.230 56.859 55.803 -0.289 0.000 0.847 184 Q CB -0.329 28.176 28.738 -0.388 0.000 0.903 184 Q HN 0.244 nan 8.270 nan 0.000 0.433 185 A N 1.161 123.904 122.820 -0.129 0.000 1.933 185 A HA -0.087 4.233 4.320 -0.000 0.000 0.218 185 A C 2.327 179.888 177.584 -0.039 0.000 1.175 185 A CA 1.844 53.833 52.037 -0.080 0.000 0.628 185 A CB -0.611 18.355 19.000 -0.057 0.000 0.814 185 A HN 0.356 nan 8.150 nan 0.000 0.444 186 A N -0.099 122.699 122.820 -0.036 0.000 1.933 186 A HA -0.150 4.170 4.320 -0.000 0.000 0.218 186 A C 2.062 179.641 177.584 -0.008 0.000 1.175 186 A CA 1.709 53.742 52.037 -0.007 0.000 0.628 186 A CB -0.404 18.594 19.000 -0.004 0.000 0.814 186 A HN 0.556 nan 8.150 nan 0.000 0.444 187 K N -0.663 119.717 120.400 -0.033 0.000 2.209 187 K HA -0.006 4.314 4.320 -0.000 0.000 0.204 187 K C 1.511 178.113 176.600 0.003 0.000 1.048 187 K CA 1.371 57.645 56.287 -0.022 0.000 0.940 187 K CB -0.221 32.252 32.500 -0.046 0.000 0.729 187 K HN 0.583 nan 8.250 nan 0.000 0.451 188 I N -0.034 120.541 120.570 0.009 0.000 2.927 188 I HA -0.123 4.047 4.170 -0.000 0.000 0.268 188 I C 1.919 178.103 176.117 0.110 0.000 1.153 188 I CA 0.406 61.739 61.300 0.054 0.000 1.459 188 I CB 0.080 38.096 38.000 0.027 0.000 1.149 188 I HN 0.018 nan 8.210 nan 0.000 0.443 189 L N -0.059 121.221 121.223 0.095 0.000 2.051 189 L HA 0.049 4.388 4.340 -0.000 0.000 0.202 189 L C 1.347 178.270 176.870 0.089 0.000 1.097 189 L CA 1.262 56.180 54.840 0.130 0.000 0.762 189 L CB -0.303 41.820 42.059 0.107 0.000 0.913 189 L HN 0.352 nan 8.230 nan 0.000 0.447 190 T N -5.445 109.146 114.554 0.062 0.000 2.742 190 T HA 0.101 4.450 4.350 -0.000 0.000 0.282 190 T C 0.355 175.077 174.700 0.037 0.000 1.025 190 T CA -0.629 61.499 62.100 0.048 0.000 1.020 190 T CB 1.607 70.504 68.868 0.047 0.000 1.317 190 T HN 0.142 nan 8.240 nan 0.000 0.538 191 Q N -0.376 119.443 119.800 0.032 0.000 2.167 191 Q HA -0.027 4.312 4.340 -0.000 0.000 0.202 191 Q C 0.281 176.297 176.000 0.027 0.000 0.970 191 Q CA 1.173 56.992 55.803 0.026 0.000 0.855 191 Q CB -0.014 28.738 28.738 0.023 0.000 0.911 191 Q HN 0.609 nan 8.270 nan 0.000 0.438 192 Q N 0.624 120.444 119.800 0.033 0.000 2.222 192 Q HA 0.183 4.523 4.340 -0.000 0.000 0.211 192 Q C -0.552 175.471 176.000 0.038 0.000 1.013 192 Q CA -0.355 55.469 55.803 0.035 0.000 0.993 192 Q CB 0.461 29.223 28.738 0.041 0.000 1.151 192 Q HN -0.089 nan 8.270 nan 0.000 0.544 193 K N 0.308 120.733 120.400 0.042 0.000 2.230 193 K HA 0.377 4.697 4.320 -0.000 0.000 0.253 193 K C -0.494 176.144 176.600 0.063 0.000 1.008 193 K CA -0.159 56.157 56.287 0.048 0.000 0.910 193 K CB 0.101 32.633 32.500 0.054 0.000 0.994 193 K HN 0.711 nan 8.250 nan 0.000 0.495 194 A N 2.167 125.028 122.820 0.069 0.000 2.388 194 A HA 0.184 4.504 4.320 -0.000 0.000 0.257 194 A C -0.165 177.495 177.584 0.128 0.000 1.095 194 A CA -0.365 51.720 52.037 0.080 0.000 0.791 194 A CB -0.024 19.013 19.000 0.061 0.000 1.029 194 A HN 0.594 nan 8.150 nan 0.000 0.489 195 N N 1.598 120.382 118.700 0.141 0.000 2.816 195 N HA 0.424 5.163 4.740 -0.000 0.000 0.236 195 N C -0.842 174.723 175.510 0.093 0.000 1.076 195 N CA -0.029 53.183 53.050 0.269 0.000 0.902 195 N CB 1.380 40.055 38.487 0.314 0.000 1.149 195 N HN 0.606 nan 8.380 nan 0.000 0.506 196 V N -0.928 119.060 119.914 0.124 0.000 3.078 196 V HA 0.672 4.792 4.120 -0.000 0.000 0.311 196 V C -0.217 175.898 176.094 0.034 0.000 1.138 196 V CA -1.030 61.238 62.300 -0.053 0.000 1.007 196 V CB 2.261 34.089 31.823 0.008 0.000 1.045 196 V HN 0.189 nan 8.190 nan 0.000 0.432 197 I N 2.285 122.822 120.570 -0.055 0.000 2.339 197 I HA 0.551 4.721 4.170 -0.000 0.000 0.290 197 I C -0.686 175.459 176.117 0.046 0.000 0.994 197 I CA -0.837 60.519 61.300 0.092 0.000 1.191 197 I CB 1.903 39.950 38.000 0.079 0.000 1.343 197 I HN 0.452 nan 8.210 nan 0.000 0.458 198 V N 6.006 126.004 119.914 0.139 0.000 2.384 198 V HA 0.536 4.656 4.120 -0.000 0.000 0.287 198 V C 0.309 176.531 176.094 0.214 0.000 1.020 198 V CA -0.587 61.812 62.300 0.165 0.000 0.850 198 V CB 1.481 33.507 31.823 0.338 0.000 0.987 198 V HN 0.813 nan 8.190 nan 0.000 0.436 199 A N 3.471 126.329 122.820 0.064 0.000 2.341 199 A HA 0.496 4.816 4.320 -0.000 0.000 0.326 199 A C -0.313 177.372 177.584 0.168 0.000 1.402 199 A CA -0.364 51.731 52.037 0.097 0.000 0.957 199 A CB -0.348 18.614 19.000 -0.064 0.000 1.151 199 A HN 1.021 nan 8.150 nan 0.000 0.533 200 H N 3.284 122.427 119.070 0.121 0.000 2.820 200 H HA 0.540 5.096 4.556 -0.000 0.000 0.278 200 H C -0.990 174.350 175.328 0.020 0.000 1.142 200 H CA -0.228 55.796 56.048 -0.040 0.000 1.346 200 H CB 0.120 29.688 29.762 -0.323 0.000 1.438 200 H HN 0.539 nan 8.280 nan 0.000 0.473 201 L N 5.955 127.188 121.223 0.016 0.000 2.294 201 L HA 0.550 4.890 4.340 -0.000 0.000 0.283 201 L C 0.624 177.526 176.870 0.052 0.000 1.015 201 L CA -0.300 54.634 54.840 0.156 0.000 0.831 201 L CB 1.505 43.725 42.059 0.268 0.000 1.217 201 L HN 0.817 nan 8.230 nan 0.000 0.420 202 G N 1.419 110.306 108.800 0.145 0.000 3.039 202 G HA2 0.142 4.102 3.960 -0.000 0.000 0.202 202 G HA3 0.142 4.102 3.960 -0.000 0.000 0.202 202 G C 0.252 175.247 174.900 0.158 0.000 1.151 202 G CA -0.255 44.900 45.100 0.092 0.000 0.836 202 G HN 0.388 nan 8.290 nan 0.000 0.598 203 N N 0.548 119.332 118.700 0.139 0.000 2.084 203 N HA -0.036 4.704 4.740 -0.000 0.000 0.190 203 N C 1.269 176.888 175.510 0.183 0.000 1.030 203 N CA 1.332 54.464 53.050 0.138 0.000 0.849 203 N CB -0.271 38.278 38.487 0.103 0.000 1.012 203 N HN 0.491 nan 8.380 nan 0.000 0.423 204 G N -0.340 108.606 108.800 0.244 0.000 2.425 204 G HA2 0.466 4.426 3.960 -0.000 0.000 0.302 204 G HA3 0.466 4.426 3.960 -0.000 0.000 0.302 204 G C -0.858 174.302 174.900 0.433 0.000 1.159 204 G CA -0.259 45.011 45.100 0.284 0.000 0.865 204 G HN 0.212 nan 8.290 nan 0.000 0.515 205 C N 0.847 120.351 119.300 0.340 0.000 2.482 205 C HA 0.871 5.331 4.460 -0.000 0.000 0.317 205 C C 0.137 175.257 174.990 0.217 0.000 1.197 205 C CA -0.774 58.426 59.018 0.305 0.000 1.432 205 C CB 0.639 28.461 27.740 0.137 0.000 2.062 205 C HN 1.040 nan 8.230 nan 0.000 0.471 206 S N 2.709 118.601 115.700 0.319 0.000 2.579 206 S HA 0.849 5.318 4.470 -0.000 0.000 0.272 206 S C -1.309 173.446 174.600 0.257 0.000 1.141 206 S CA -0.619 57.708 58.200 0.213 0.000 0.843 206 S CB 1.507 64.900 63.200 0.323 0.000 1.122 206 S HN 0.866 nan 8.310 nan 0.000 0.468 207 I N 1.048 121.657 120.570 0.065 0.000 2.647 207 I HA 0.706 4.876 4.170 -0.000 0.000 0.295 207 I C -1.452 174.745 176.117 0.132 0.000 1.078 207 I CA -0.153 61.214 61.300 0.112 0.000 1.048 207 I CB 2.244 40.224 38.000 -0.033 0.000 1.239 207 I HN 0.861 nan 8.210 nan 0.000 0.421 208 T N 5.997 120.602 114.554 0.085 0.000 2.886 208 T HA 0.628 4.978 4.350 -0.000 0.000 0.292 208 T C -0.733 174.023 174.700 0.093 0.000 1.012 208 T CA -0.477 61.597 62.100 -0.044 0.000 0.982 208 T CB 1.646 70.269 68.868 -0.408 0.000 1.018 208 T HN 0.655 nan 8.240 nan 0.000 0.451 209 A N 2.698 125.413 122.820 -0.175 0.000 2.252 209 A HA 0.667 4.987 4.320 -0.000 0.000 0.309 209 A C -0.287 177.242 177.584 -0.093 0.000 1.285 209 A CA -0.478 51.508 52.037 -0.084 0.000 0.900 209 A CB 0.163 18.861 19.000 -0.503 0.000 1.157 209 A HN 0.671 nan 8.150 nan 0.000 0.536 210 V N 4.298 124.310 119.914 0.164 0.000 2.357 210 V HA 0.362 4.482 4.120 -0.000 0.000 0.284 210 V C -0.301 175.894 176.094 0.169 0.000 1.018 210 V CA -0.401 61.971 62.300 0.121 0.000 0.841 210 V CB 1.359 33.319 31.823 0.229 0.000 0.991 210 V HN 0.610 nan 8.190 nan 0.000 0.437 211 V N 3.778 123.681 119.914 -0.018 0.000 2.448 211 V HA 0.402 4.521 4.120 -0.000 0.000 0.295 211 V C 0.461 176.560 176.094 0.008 0.000 1.025 211 V CA -0.487 61.802 62.300 -0.018 0.000 0.859 211 V CB 1.372 33.067 31.823 -0.213 0.000 0.988 211 V HN 1.002 nan 8.190 nan 0.000 0.431 212 D N 4.117 124.556 120.400 0.064 0.000 2.702 212 D HA -0.196 4.443 4.640 -0.000 0.000 0.233 212 D C 1.295 177.628 176.300 0.054 0.000 1.164 212 D CA 2.091 56.123 54.000 0.053 0.000 0.638 212 D CB -1.023 39.792 40.800 0.025 0.000 1.041 212 D HN 1.442 nan 8.370 nan 0.000 0.422 213 G N -0.767 108.086 108.800 0.089 0.000 2.199 213 G HA2 -0.348 3.612 3.960 -0.000 0.000 0.254 213 G HA3 -0.348 3.612 3.960 -0.000 0.000 0.254 213 G C 0.327 175.322 174.900 0.158 0.000 0.982 213 G CA 0.613 45.791 45.100 0.130 0.000 0.632 213 G HN 0.587 nan 8.290 nan 0.000 0.529 214 K N 0.709 121.117 120.400 0.014 0.000 2.221 214 K HA 0.581 4.901 4.320 -0.000 0.000 0.258 214 K C 0.138 176.540 176.600 -0.330 0.000 0.944 214 K CA -0.239 55.941 56.287 -0.178 0.000 0.823 214 K CB 1.916 34.316 32.500 -0.167 0.000 1.113 214 K HN 0.151 nan 8.250 nan 0.000 0.431 215 S N 2.536 117.811 115.700 -0.709 0.000 2.525 215 S HA 0.066 4.536 4.470 -0.000 0.000 0.285 215 S C 0.704 175.043 174.600 -0.435 0.000 1.283 215 S CA -0.235 57.634 58.200 -0.551 0.000 1.072 215 S CB 0.100 62.907 63.200 -0.654 0.000 0.867 215 S HN 0.676 nan 8.310 nan 0.000 0.492 216 I N 2.772 123.053 120.570 -0.483 0.000 4.312 216 I HA 0.363 4.533 4.170 -0.000 0.000 0.324 216 I C -0.334 175.374 176.117 -0.680 0.000 1.298 216 I CA 0.167 61.107 61.300 -0.600 0.000 1.231 216 I CB 0.389 37.922 38.000 -0.778 0.000 1.152 216 I HN 0.555 nan 8.210 nan 0.000 0.421 217 D N -0.454 119.546 120.400 -0.667 0.000 2.663 217 D HA 0.378 5.018 4.640 -0.000 0.000 0.233 217 D C -1.237 174.790 176.300 -0.455 0.000 1.240 217 D CA 0.030 53.690 54.000 -0.566 0.000 0.774 217 D CB 2.370 42.763 40.800 -0.679 0.000 1.443 217 D HN -0.059 nan 8.370 nan 0.000 0.441 218 T N -0.231 114.176 114.554 -0.245 0.000 2.802 218 T HA 0.578 4.928 4.350 -0.000 0.000 0.311 218 T C -0.675 174.035 174.700 0.017 0.000 1.405 218 T CA -0.207 61.798 62.100 -0.159 0.000 1.016 218 T CB 0.829 69.353 68.868 -0.573 0.000 1.352 218 T HN 0.416 nan 8.240 nan 0.000 0.498 222 L N 1.369 122.794 121.223 0.337 0.000 2.042 222 L HA 0.223 4.563 4.340 -0.000 0.000 0.210 222 L C 1.712 178.829 176.870 0.412 0.000 1.076 222 L CA 3.170 58.272 54.840 0.437 0.000 0.749 222 L CB -0.547 41.709 42.059 0.327 0.000 0.893 222 L HN 0.926 nan 8.230 nan 0.000 0.432 223 T N -5.510 109.199 114.554 0.259 0.000 2.858 223 T HA 0.489 4.839 4.350 -0.000 0.000 0.285 223 T C -2.287 172.489 174.700 0.126 0.000 1.052 223 T CA -1.443 60.782 62.100 0.209 0.000 1.009 223 T CB 1.224 70.190 68.868 0.165 0.000 1.241 223 T HN -0.145 nan 8.240 nan 0.000 0.542 224 P HA 0.182 nan 4.420 nan 0.000 0.252 224 P C 1.075 178.387 177.300 0.020 0.000 1.265 224 P CA -0.170 62.928 63.100 -0.004 0.000 0.775 224 P CB -0.124 31.538 31.700 -0.062 0.000 1.128 225 L N -0.721 120.541 121.223 0.064 0.000 2.179 225 L HA 0.103 4.443 4.340 -0.000 0.000 0.208 225 L C 0.590 177.500 176.870 0.066 0.000 1.096 225 L CA 1.441 56.326 54.840 0.075 0.000 0.779 225 L CB -0.727 41.394 42.059 0.102 0.000 0.922 225 L HN -0.152 nan 8.230 nan 0.000 0.443 226 D N -1.034 119.406 120.400 0.067 0.000 2.354 226 D HA 0.482 5.121 4.640 -0.000 0.000 0.247 226 D C 0.759 177.075 176.300 0.027 0.000 1.138 226 D CA 0.915 54.958 54.000 0.071 0.000 0.958 226 D CB 1.252 42.114 40.800 0.103 0.000 1.144 226 D HN 0.378 nan 8.370 nan 0.000 0.458 227 G N 0.783 109.611 108.800 0.046 0.000 2.936 227 G HA2 -0.195 3.765 3.960 -0.000 0.000 0.237 227 G HA3 -0.195 3.765 3.960 -0.000 0.000 0.237 227 G C -0.315 174.510 174.900 -0.126 0.000 1.403 227 G CA -0.105 44.957 45.100 -0.064 0.000 1.011 227 G HN 0.583 nan 8.290 nan 0.000 0.568 228 L N 1.309 122.352 121.223 -0.300 0.000 2.473 228 L HA 0.413 4.752 4.340 -0.000 0.000 0.268 228 L C 1.727 178.528 176.870 -0.115 0.000 1.215 228 L CA -0.590 54.092 54.840 -0.263 0.000 0.823 228 L CB 0.580 42.435 42.059 -0.339 0.000 1.099 228 L HN 0.499 nan 8.230 nan 0.000 0.483 232 T N -1.183 113.427 114.554 0.094 0.000 3.058 232 T HA 0.459 4.809 4.350 -0.000 0.000 0.278 232 T C 0.587 175.336 174.700 0.082 0.000 0.974 232 T CA -0.208 61.939 62.100 0.078 0.000 0.893 232 T CB 0.594 69.500 68.868 0.063 0.000 1.138 232 T HN 0.231 nan 8.240 nan 0.000 0.529 233 R N 1.552 122.107 120.500 0.092 0.000 2.407 233 R HA 0.525 4.865 4.340 -0.000 0.000 0.303 233 R C 1.482 177.835 176.300 0.088 0.000 0.981 233 R CA 0.136 56.289 56.100 0.087 0.000 0.905 233 R CB 1.459 31.809 30.300 0.084 0.000 1.099 233 R HN 0.309 nan 8.270 nan 0.000 0.459 234 S N 1.550 117.299 115.700 0.082 0.000 2.402 234 S HA -0.025 4.445 4.470 -0.000 0.000 0.229 234 S C 1.267 175.912 174.600 0.075 0.000 1.021 234 S CA 0.406 58.652 58.200 0.077 0.000 0.974 234 S CB -0.443 62.798 63.200 0.069 0.000 0.800 234 S HN 0.991 nan 8.310 nan 0.000 0.484 235 G N 0.797 109.639 108.800 0.071 0.000 2.575 235 G HA2 -0.309 3.650 3.960 -0.000 0.000 0.267 235 G HA3 -0.309 3.650 3.960 -0.000 0.000 0.267 235 G C 0.060 175.011 174.900 0.085 0.000 1.264 235 G CA -0.443 44.694 45.100 0.062 0.000 0.935 235 G HN 0.982 nan 8.290 nan 0.000 0.568 236 C N -0.151 119.213 119.300 0.107 0.000 2.465 236 C HA 0.440 4.900 4.460 -0.000 0.000 0.402 236 C C 0.962 176.006 174.990 0.090 0.000 1.448 236 C CA 1.335 60.424 59.018 0.119 0.000 1.589 236 C CB -1.833 26.003 27.740 0.161 0.000 2.535 236 C HN 0.821 nan 8.230 nan 0.000 0.600 237 I N 2.316 122.934 120.570 0.080 0.000 2.908 237 I HA 0.251 4.420 4.170 -0.000 0.000 0.300 237 I C -0.997 175.157 176.117 0.062 0.000 1.385 237 I CA -0.428 60.910 61.300 0.064 0.000 1.004 237 I CB 1.600 39.637 38.000 0.062 0.000 1.309 237 I HN 0.531 nan 8.210 nan 0.000 0.449 238 D N 7.718 128.143 120.400 0.042 0.000 2.450 238 D HA 0.128 4.768 4.640 -0.000 0.000 0.247 238 D C -1.625 174.725 176.300 0.083 0.000 1.162 238 D CA -1.648 52.376 54.000 0.040 0.000 0.879 238 D CB 1.448 42.255 40.800 0.013 0.000 1.163 238 D HN 0.271 nan 8.370 nan 0.000 0.472 239 P HA -0.107 nan 4.420 nan 0.000 0.221 239 P C 1.020 178.436 177.300 0.193 0.000 1.145 239 P CA 0.554 63.738 63.100 0.141 0.000 0.795 239 P CB 0.217 31.930 31.700 0.021 0.000 0.775 240 S N 0.502 116.270 115.700 0.113 0.000 2.493 240 S HA -0.132 4.337 4.470 -0.000 0.000 0.243 240 S C 1.807 176.489 174.600 0.137 0.000 0.991 240 S CA 1.185 59.450 58.200 0.108 0.000 0.957 240 S CB -1.153 62.080 63.200 0.056 0.000 0.756 240 S HN 0.313 nan 8.310 nan 0.000 0.521 241 I N -1.649 118.996 120.570 0.124 0.000 2.614 241 I HA 0.001 4.170 4.170 -0.000 0.000 0.258 241 I C 1.689 177.828 176.117 0.037 0.000 1.189 241 I CA 1.200 62.524 61.300 0.040 0.000 1.462 241 I CB -0.858 37.101 38.000 -0.070 0.000 1.092 241 I HN 0.044 nan 8.210 nan 0.000 0.442 242 F N 1.704 121.679 119.950 0.042 0.000 2.084 242 F HA -0.030 4.497 4.527 -0.000 0.000 0.296 242 F C 2.721 178.542 175.800 0.035 0.000 1.111 242 F CA 1.723 59.748 58.000 0.041 0.000 1.224 242 F CB -0.700 38.322 39.000 0.035 0.000 0.991 242 F HN 0.132 nan 8.300 nan 0.000 0.471 243 A N -1.007 121.948 122.820 0.224 0.000 1.930 243 A HA -0.248 4.071 4.320 -0.000 0.000 0.217 243 A C 1.998 179.624 177.584 0.070 0.000 1.175 243 A CA 1.453 53.563 52.037 0.123 0.000 0.627 243 A CB -1.411 17.650 19.000 0.102 0.000 0.815 243 A HN 0.529 nan 8.150 nan 0.000 0.443 244 Y N 0.488 120.776 120.300 -0.020 0.000 2.114 244 Y HA -0.212 4.338 4.550 -0.000 0.000 0.284 244 Y C 2.048 177.868 175.900 -0.133 0.000 1.143 244 Y CA 2.085 60.143 58.100 -0.070 0.000 1.135 244 Y CB -0.216 38.196 38.460 -0.080 0.000 0.980 244 Y HN 0.267 nan 8.280 nan 0.000 0.499 245 I N -1.023 119.493 120.570 -0.089 0.000 2.202 245 I HA -0.304 3.866 4.170 -0.000 0.000 0.242 245 I C 2.777 178.725 176.117 -0.281 0.000 1.091 245 I CA 1.552 62.654 61.300 -0.329 0.000 1.368 245 I CB -0.671 37.063 38.000 -0.443 0.000 1.058 245 I HN 0.248 nan 8.210 nan 0.000 0.410 246 S N 0.731 116.371 115.700 -0.099 0.000 2.359 246 S HA -0.233 4.237 4.470 -0.000 0.000 0.224 246 S C 1.737 176.303 174.600 -0.056 0.000 1.035 246 S CA 1.965 60.160 58.200 -0.007 0.000 1.018 246 S CB -0.268 62.974 63.200 0.071 0.000 0.876 246 S HN 0.364 nan 8.310 nan 0.000 0.448 247 D N 0.875 121.214 120.400 -0.101 0.000 2.183 247 D HA 0.038 4.678 4.640 -0.000 0.000 0.203 247 D C 1.743 177.935 176.300 -0.180 0.000 0.969 247 D CA 0.778 54.709 54.000 -0.114 0.000 0.842 247 D CB -0.300 40.438 40.800 -0.102 0.000 0.957 247 D HN 0.499 nan 8.370 nan 0.000 0.484 248 N N -0.446 118.065 118.700 -0.314 0.000 2.454 248 N HA 0.030 4.770 4.740 -0.000 0.000 0.177 248 N C 1.208 176.567 175.510 -0.252 0.000 1.049 248 N CA 0.204 53.045 53.050 -0.348 0.000 0.887 248 N CB 0.761 38.864 38.487 -0.640 0.000 1.095 248 N HN 0.094 nan 8.380 nan 0.000 0.446 249 L N -0.451 120.608 121.223 -0.272 0.000 2.609 249 L HA 0.367 4.707 4.340 -0.000 0.000 0.230 249 L C 1.280 178.165 176.870 0.025 0.000 1.087 249 L CA 0.390 55.121 54.840 -0.181 0.000 0.874 249 L CB -0.118 41.657 42.059 -0.473 0.000 1.114 249 L HN 0.194 nan 8.230 nan 0.000 0.488 250 G N -1.841 106.967 108.800 0.013 0.000 2.143 250 G HA2 -0.268 3.692 3.960 -0.000 0.000 0.248 250 G HA3 -0.268 3.692 3.960 -0.000 0.000 0.248 250 G C -0.185 174.878 174.900 0.272 0.000 0.991 250 G CA -0.198 44.972 45.100 0.117 0.000 0.689 250 G HN 0.087 nan 8.290 nan 0.000 0.522 251 W N 1.608 122.897 121.300 -0.018 0.000 2.150 251 W HA 0.592 5.252 4.660 -0.000 0.000 0.341 251 W C 1.250 177.777 176.519 0.013 0.000 1.276 251 W CA -0.566 56.775 57.345 -0.007 0.000 1.238 251 W CB 0.357 29.806 29.460 -0.018 0.000 1.128 251 W HN 0.586 nan 8.180 nan 0.000 0.581 252 S N -0.017 115.821 115.700 0.231 0.000 2.632 252 S HA 0.251 4.721 4.470 -0.000 0.000 0.267 252 S C 0.738 175.463 174.600 0.208 0.000 1.276 252 S CA -0.721 57.577 58.200 0.164 0.000 0.998 252 S CB 1.162 64.416 63.200 0.091 0.000 0.953 252 S HN 0.278 nan 8.310 nan 0.000 0.547 253 V N 1.834 121.870 119.914 0.203 0.000 2.324 253 V HA -0.202 3.917 4.120 -0.000 0.000 0.250 253 V C 2.751 178.992 176.094 0.245 0.000 1.060 253 V CA 2.587 65.054 62.300 0.279 0.000 1.042 253 V CB -1.696 30.240 31.823 0.189 0.000 0.650 253 V HN 1.037 nan 8.190 nan 0.000 0.450 254 T N -0.540 114.101 114.554 0.146 0.000 2.746 254 T HA -0.191 4.158 4.350 -0.000 0.000 0.267 254 T C 1.825 176.576 174.700 0.084 0.000 1.039 254 T CA 1.711 63.872 62.100 0.102 0.000 1.142 254 T CB -0.215 68.684 68.868 0.052 0.000 0.866 254 T HN 0.616 nan 8.240 nan 0.000 0.444 255 E N 0.474 120.711 120.200 0.062 0.000 2.072 255 E HA -0.020 4.330 4.350 -0.000 0.000 0.191 255 E C 2.157 178.815 176.600 0.098 0.000 0.985 255 E CA 0.813 57.199 56.400 -0.023 0.000 0.801 255 E CB -0.218 29.381 29.700 -0.168 0.000 0.750 255 E HN 0.474 nan 8.360 nan 0.000 0.452 256 I N 0.845 121.558 120.570 0.238 0.000 2.226 256 I HA -0.242 3.928 4.170 -0.000 0.000 0.245 256 I C 2.321 178.486 176.117 0.079 0.000 1.100 256 I CA 1.115 62.529 61.300 0.190 0.000 1.374 256 I CB -0.343 37.601 38.000 -0.092 0.000 1.057 256 I HN 0.087 nan 8.210 nan 0.000 0.413 257 T N 0.384 115.049 114.554 0.184 0.000 2.821 257 T HA -0.124 4.226 4.350 -0.000 0.000 0.267 257 T C 1.098 175.877 174.700 0.131 0.000 1.046 257 T CA 0.610 62.840 62.100 0.217 0.000 1.139 257 T CB -0.482 68.542 68.868 0.260 0.000 0.871 257 T HN 0.382 nan 8.240 nan 0.000 0.454 261 N N 0.403 119.155 118.700 0.087 0.000 2.409 261 N HA 0.059 4.799 4.740 -0.000 0.000 0.174 261 N C 1.156 176.709 175.510 0.072 0.000 1.037 261 N CA 0.922 54.023 53.050 0.084 0.000 0.898 261 N CB 0.539 39.080 38.487 0.090 0.000 1.010 261 N HN 0.201 nan 8.380 nan 0.000 0.445 262 K N -0.207 120.229 120.400 0.061 0.000 2.502 262 K HA 0.241 4.561 4.320 -0.000 0.000 0.211 262 K C 0.494 177.118 176.600 0.040 0.000 1.259 262 K CA 0.234 56.549 56.287 0.047 0.000 0.983 262 K CB 0.938 33.458 32.500 0.033 0.000 1.054 262 K HN 0.028 nan 8.250 nan 0.000 0.572 263 Q N -0.080 119.749 119.800 0.048 0.000 2.139 263 Q HA 0.298 4.637 4.340 -0.000 0.000 0.219 263 Q C 0.265 176.299 176.000 0.056 0.000 0.805 263 Q CA 0.043 55.873 55.803 0.045 0.000 1.024 263 Q CB 1.539 30.305 28.738 0.046 0.000 1.163 263 Q HN -0.038 nan 8.270 nan 0.000 0.485 264 S N -1.012 114.726 115.700 0.063 0.000 2.702 264 S HA 0.772 5.241 4.470 -0.000 0.000 0.272 264 S C 0.666 175.312 174.600 0.076 0.000 1.068 264 S CA -0.021 58.219 58.200 0.068 0.000 0.964 264 S CB 0.644 63.885 63.200 0.069 0.000 1.307 264 S HN 0.457 nan 8.310 nan 0.000 0.567 265 G N 0.704 109.557 108.800 0.088 0.000 2.574 265 G HA2 -0.256 3.703 3.960 -0.000 0.000 0.282 265 G HA3 -0.256 3.703 3.960 -0.000 0.000 0.282 265 G C 0.623 175.590 174.900 0.112 0.000 1.257 265 G CA 0.383 45.551 45.100 0.114 0.000 0.956 265 G HN 0.589 nan 8.290 nan 0.000 0.560 266 L N -0.593 120.706 121.223 0.127 0.000 2.042 266 L HA -0.110 4.230 4.340 -0.000 0.000 0.210 266 L C 2.999 179.916 176.870 0.078 0.000 1.076 266 L CA 1.789 56.688 54.840 0.098 0.000 0.749 266 L CB -0.700 41.400 42.059 0.068 0.000 0.893 266 L HN 0.518 nan 8.230 nan 0.000 0.432 267 L N 0.493 121.756 121.223 0.067 0.000 2.012 267 L HA -0.109 4.231 4.340 -0.000 0.000 0.210 267 L C 2.392 179.281 176.870 0.031 0.000 1.073 267 L CA 2.277 57.140 54.840 0.037 0.000 0.748 267 L CB -1.184 40.892 42.059 0.028 0.000 0.891 267 L HN 0.141 nan 8.230 nan 0.000 0.431 268 G N -0.402 108.426 108.800 0.047 0.000 2.421 268 G HA2 -0.240 3.719 3.960 -0.000 0.000 0.216 268 G HA3 -0.240 3.719 3.960 -0.000 0.000 0.216 268 G C 1.619 176.547 174.900 0.046 0.000 1.171 268 G CA 1.202 46.330 45.100 0.046 0.000 0.775 268 G HN 0.493 nan 8.290 nan 0.000 0.543 269 I N 0.488 121.092 120.570 0.057 0.000 2.202 269 I HA -0.144 4.026 4.170 -0.000 0.000 0.242 269 I C 2.570 178.719 176.117 0.054 0.000 1.091 269 I CA 1.527 62.860 61.300 0.056 0.000 1.368 269 I CB -0.122 37.920 38.000 0.069 0.000 1.058 269 I HN 0.464 nan 8.210 nan 0.000 0.410 270 C N -1.448 117.891 119.300 0.065 0.000 3.642 270 C HA 0.685 5.145 4.460 -0.000 0.000 0.305 270 C C 1.568 176.623 174.990 0.108 0.000 1.492 270 C CA -0.087 58.983 59.018 0.088 0.000 1.809 270 C CB 0.158 27.958 27.740 0.101 0.000 2.639 270 C HN 0.702 nan 8.230 nan 0.000 0.672 271 G N 0.515 109.328 108.800 0.022 0.000 2.176 271 G HA2 -0.113 3.847 3.960 -0.000 0.000 0.232 271 G HA3 -0.113 3.847 3.960 -0.000 0.000 0.232 271 G C -0.489 174.149 174.900 -0.437 0.000 0.986 271 G CA 0.480 45.486 45.100 -0.156 0.000 0.643 271 G HN 0.806 nan 8.290 nan 0.000 0.522 272 H N -0.351 118.723 119.070 0.006 0.000 2.782 272 H HA 0.465 5.021 4.556 -0.000 0.000 0.347 272 H C 1.018 176.347 175.328 0.001 0.000 1.038 272 H CA -0.342 55.705 56.048 -0.000 0.000 1.255 272 H CB 1.175 30.930 29.762 -0.011 0.000 1.623 272 H HN 0.138 nan 8.280 nan 0.000 0.525 273 N N 1.487 120.243 118.700 0.092 0.000 2.415 273 N HA -0.083 4.657 4.740 -0.000 0.000 0.176 273 N C 0.287 175.829 175.510 0.053 0.000 1.042 273 N CA 0.400 53.490 53.050 0.065 0.000 0.902 273 N CB 0.546 39.062 38.487 0.049 0.000 0.986 273 N HN 0.550 nan 8.380 nan 0.000 0.447 277 E N 1.391 121.542 120.200 -0.082 0.000 2.107 277 E HA -0.065 4.285 4.350 -0.000 0.000 0.191 277 E C 1.769 178.263 176.600 -0.177 0.000 0.982 277 E CA 1.558 57.885 56.400 -0.123 0.000 0.809 277 E CB 0.181 29.821 29.700 -0.100 0.000 0.756 277 E HN 0.020 nan 8.360 nan 0.000 0.459 278 V N 1.313 121.148 119.914 -0.132 0.000 2.287 278 V HA -0.289 3.831 4.120 -0.000 0.000 0.248 278 V C 2.329 178.350 176.094 -0.122 0.000 1.053 278 V CA 2.008 64.233 62.300 -0.124 0.000 1.027 278 V CB -0.548 31.220 31.823 -0.091 0.000 0.646 278 V HN 0.199 nan 8.190 nan 0.000 0.447 279 S N -0.874 114.755 115.700 -0.119 0.000 2.368 279 S HA -0.274 4.196 4.470 -0.000 0.000 0.225 279 S C 2.011 176.557 174.600 -0.090 0.000 1.030 279 S CA 1.671 59.810 58.200 -0.102 0.000 0.999 279 S CB -0.313 62.826 63.200 -0.103 0.000 0.844 279 S HN 0.670 nan 8.310 nan 0.000 0.459 280 Q N 0.429 120.170 119.800 -0.098 0.000 2.079 280 Q HA 0.011 4.351 4.340 -0.000 0.000 0.200 280 Q C 2.219 178.162 176.000 -0.095 0.000 0.974 280 Q CA 1.013 56.763 55.803 -0.089 0.000 0.840 280 Q CB -0.313 28.371 28.738 -0.090 0.000 0.898 280 Q HN 0.462 nan 8.270 nan 0.000 0.430 281 L N 0.111 121.256 121.223 -0.130 0.000 2.017 281 L HA -0.197 4.143 4.340 -0.000 0.000 0.208 281 L C 2.522 179.345 176.870 -0.079 0.000 1.073 281 L CA 1.035 55.800 54.840 -0.125 0.000 0.745 281 L CB -0.610 41.332 42.059 -0.195 0.000 0.894 281 L HN 0.224 nan 8.230 nan 0.000 0.432 282 A N 0.001 122.778 122.820 -0.073 0.000 1.933 282 A HA -0.185 4.135 4.320 -0.000 0.000 0.218 282 A C 2.488 180.046 177.584 -0.042 0.000 1.175 282 A CA 1.728 53.736 52.037 -0.049 0.000 0.628 282 A CB -0.706 18.265 19.000 -0.047 0.000 0.814 282 A HN 0.415 nan 8.150 nan 0.000 0.444 283 A N -0.429 122.361 122.820 -0.049 0.000 2.019 283 A HA -0.106 4.214 4.320 -0.000 0.000 0.219 283 A C 1.967 179.529 177.584 -0.036 0.000 1.164 283 A CA 1.605 53.617 52.037 -0.042 0.000 0.644 283 A CB -0.321 18.651 19.000 -0.046 0.000 0.805 283 A HN 0.552 nan 8.150 nan 0.000 0.449 284 K N -1.672 118.704 120.400 -0.040 0.000 2.444 284 K HA 0.234 4.553 4.320 -0.000 0.000 0.193 284 K C 0.946 177.530 176.600 -0.025 0.000 1.024 284 K CA 0.500 56.768 56.287 -0.032 0.000 1.077 284 K CB 0.141 32.619 32.500 -0.036 0.000 0.833 284 K HN 0.613 nan 8.250 nan 0.000 0.517 285 G N 1.844 110.630 108.800 -0.025 0.000 2.175 285 G HA2 -0.196 3.763 3.960 -0.000 0.000 0.182 285 G HA3 -0.196 3.763 3.960 -0.000 0.000 0.182 285 G C -0.485 174.407 174.900 -0.014 0.000 1.003 285 G CA -0.339 44.751 45.100 -0.017 0.000 0.666 285 G HN 0.369 nan 8.290 nan 0.000 0.506 286 D N 1.537 121.926 120.400 -0.018 0.000 2.346 286 D HA 0.335 4.975 4.640 -0.000 0.000 0.260 286 D C 1.869 178.167 176.300 -0.003 0.000 1.252 286 D CA 0.623 54.617 54.000 -0.009 0.000 0.895 286 D CB 0.924 41.715 40.800 -0.015 0.000 1.097 286 D HN 0.334 nan 8.370 nan 0.000 0.489 287 S N 3.816 119.518 115.700 0.003 0.000 2.402 287 S HA -0.133 4.337 4.470 -0.000 0.000 0.229 287 S C 2.109 176.716 174.600 0.012 0.000 1.021 287 S CA 0.286 58.489 58.200 0.006 0.000 0.974 287 S CB -0.119 63.085 63.200 0.006 0.000 0.800 287 S HN 0.616 nan 8.310 nan 0.000 0.484 288 L N 0.919 122.154 121.223 0.019 0.000 2.156 288 L HA 0.071 4.411 4.340 -0.000 0.000 0.208 288 L C 3.144 180.032 176.870 0.031 0.000 1.095 288 L CA 0.997 55.855 54.840 0.029 0.000 0.770 288 L CB -0.726 41.356 42.059 0.038 0.000 0.914 288 L HN 0.486 nan 8.230 nan 0.000 0.439 289 A N 0.177 123.010 122.820 0.021 0.000 1.898 289 A HA -0.208 4.112 4.320 -0.000 0.000 0.216 289 A C 2.282 179.865 177.584 -0.002 0.000 1.181 289 A CA 1.488 53.528 52.037 0.005 0.000 0.620 289 A CB -0.272 18.712 19.000 -0.027 0.000 0.819 289 A HN 0.291 nan 8.150 nan 0.000 0.442 290 K N -0.879 119.520 120.400 -0.001 0.000 2.057 290 K HA -0.129 4.190 4.320 -0.000 0.000 0.207 290 K C 1.906 178.517 176.600 0.018 0.000 1.049 290 K CA 1.417 57.706 56.287 0.002 0.000 0.931 290 K CB -0.378 32.123 32.500 0.001 0.000 0.714 290 K HN 0.393 nan 8.250 nan 0.000 0.440 291 L N 1.113 122.350 121.223 0.023 0.000 2.046 291 L HA -0.110 4.230 4.340 -0.000 0.000 0.208 291 L C 2.191 179.094 176.870 0.055 0.000 1.077 291 L CA 1.712 56.572 54.840 0.034 0.000 0.747 291 L CB -0.644 41.432 42.059 0.029 0.000 0.896 291 L HN 0.123 nan 8.230 nan 0.000 0.432 292 A N -0.290 122.562 122.820 0.053 0.000 1.902 292 A HA -0.197 4.123 4.320 -0.000 0.000 0.217 292 A C 2.285 179.926 177.584 0.096 0.000 1.181 292 A CA 2.167 54.249 52.037 0.075 0.000 0.623 292 A CB -0.868 18.164 19.000 0.053 0.000 0.818 292 A HN 0.515 nan 8.150 nan 0.000 0.443 293 I N -0.518 120.080 120.570 0.047 0.000 2.315 293 I HA -0.185 3.985 4.170 -0.000 0.000 0.248 293 I C 2.436 178.636 176.117 0.140 0.000 1.117 293 I CA 1.041 62.369 61.300 0.047 0.000 1.404 293 I CB -0.291 37.701 38.000 -0.014 0.000 1.071 293 I HN 0.289 nan 8.210 nan 0.000 0.419 294 E N 0.931 121.196 120.200 0.107 0.000 2.051 294 E HA -0.182 4.168 4.350 -0.000 0.000 0.192 294 E C 2.285 178.984 176.600 0.165 0.000 0.991 294 E CA 1.370 57.840 56.400 0.116 0.000 0.799 294 E CB -0.304 29.432 29.700 0.059 0.000 0.748 294 E HN 0.511 nan 8.360 nan 0.000 0.449 295 I N 0.466 121.129 120.570 0.154 0.000 2.179 295 I HA -0.270 3.900 4.170 -0.000 0.000 0.242 295 I C 2.424 178.682 176.117 0.235 0.000 1.088 295 I CA 1.085 62.488 61.300 0.173 0.000 1.357 295 I CB -0.344 37.737 38.000 0.136 0.000 1.051 295 I HN -0.009 nan 8.210 nan 0.000 0.409 296 F N 1.664 121.666 119.950 0.087 0.000 2.069 296 F HA -0.270 4.257 4.527 -0.000 0.000 0.298 296 F C 2.692 178.548 175.800 0.093 0.000 1.113 296 F CA 2.104 60.154 58.000 0.083 0.000 1.214 296 F CB -0.354 38.684 39.000 0.063 0.000 0.978 296 F HN -0.072 nan 8.300 nan 0.000 0.474 297 S N -1.203 114.751 115.700 0.423 0.000 2.368 297 S HA -0.250 4.220 4.470 -0.000 0.000 0.224 297 S C 1.828 176.525 174.600 0.162 0.000 1.029 297 S CA 1.385 59.760 58.200 0.291 0.000 0.988 297 S CB -0.730 62.627 63.200 0.263 0.000 0.838 297 S HN 0.648 nan 8.310 nan 0.000 0.462 298 H N 1.580 120.703 119.070 0.088 0.000 2.387 298 H HA 0.076 4.632 4.556 -0.000 0.000 0.299 298 H C 2.275 177.624 175.328 0.035 0.000 1.090 298 H CA 1.807 57.887 56.048 0.053 0.000 1.332 298 H CB -0.065 29.728 29.762 0.052 0.000 1.386 298 H HN 0.214 nan 8.280 nan 0.000 0.516 299 R N -0.265 120.253 120.500 0.030 0.000 2.075 299 R HA -0.094 4.246 4.340 -0.000 0.000 0.232 299 R C 2.075 178.374 176.300 -0.002 0.000 1.126 299 R CA 1.429 57.530 56.100 0.002 0.000 0.963 299 R CB -0.221 30.109 30.300 0.050 0.000 0.858 299 R HN 0.256 nan 8.270 nan 0.000 0.435 300 V N 1.098 120.953 119.914 -0.099 0.000 2.287 300 V HA -0.252 3.868 4.120 -0.000 0.000 0.248 300 V C 2.490 178.537 176.094 -0.078 0.000 1.053 300 V CA 1.985 64.224 62.300 -0.102 0.000 1.027 300 V CB -0.834 30.926 31.823 -0.106 0.000 0.646 300 V HN 0.553 nan 8.190 nan 0.000 0.447 301 A N -0.432 122.326 122.820 -0.103 0.000 1.908 301 A HA -0.261 4.058 4.320 -0.000 0.000 0.218 301 A C 2.305 179.771 177.584 -0.197 0.000 1.181 301 A CA 2.085 54.033 52.037 -0.148 0.000 0.627 301 A CB -0.472 18.459 19.000 -0.114 0.000 0.818 301 A HN 0.545 nan 8.150 nan 0.000 0.445 302 K N -1.572 118.663 120.400 -0.275 0.000 2.057 302 K HA -0.111 4.208 4.320 -0.000 0.000 0.207 302 K C 1.651 178.080 176.600 -0.285 0.000 1.049 302 K CA 1.608 57.720 56.287 -0.292 0.000 0.931 302 K CB -0.322 31.968 32.500 -0.350 0.000 0.714 302 K HN 0.510 nan 8.250 nan 0.000 0.440 303 F N 0.464 120.223 119.950 -0.319 0.000 2.146 303 F HA -0.211 4.316 4.527 -0.000 0.000 0.298 303 F C 2.280 177.735 175.800 -0.575 0.000 1.096 303 F CA 0.871 58.574 58.000 -0.495 0.000 1.275 303 F CB -0.407 38.286 39.000 -0.511 0.000 1.008 303 F HN -0.227 nan 8.300 nan 0.000 0.480 304 V N 0.073 119.871 119.914 -0.194 0.000 2.252 304 V HA -0.379 3.741 4.120 -0.000 0.000 0.249 304 V C 2.586 178.641 176.094 -0.064 0.000 1.056 304 V CA 1.965 64.174 62.300 -0.153 0.000 1.022 304 V CB -1.421 30.261 31.823 -0.235 0.000 0.641 304 V HN 0.383 nan 8.190 nan 0.000 0.445 305 A N -0.834 121.933 122.820 -0.088 0.000 1.908 305 A HA -0.279 4.041 4.320 -0.000 0.000 0.218 305 A C 2.558 180.140 177.584 -0.004 0.000 1.181 305 A CA 2.452 54.479 52.037 -0.017 0.000 0.627 305 A CB -0.900 18.074 19.000 -0.043 0.000 0.818 305 A HN 0.492 nan 8.150 nan 0.000 0.445 306 S N -1.644 114.004 115.700 -0.086 0.000 2.368 306 S HA -0.066 4.404 4.470 -0.000 0.000 0.225 306 S C 1.001 175.691 174.600 0.151 0.000 1.030 306 S CA 0.543 58.716 58.200 -0.045 0.000 0.999 306 S CB -0.482 62.614 63.200 -0.173 0.000 0.844 306 S HN 0.446 nan 8.310 nan 0.000 0.459 310 Y N 2.012 122.244 120.300 -0.113 0.000 2.529 310 Y HA 0.419 4.969 4.550 -0.000 0.000 0.290 310 Y C 0.056 175.587 175.900 -0.615 0.000 1.177 310 Y CA 0.246 58.071 58.100 -0.458 0.000 1.305 310 Y CB -0.150 37.837 38.460 -0.787 0.000 1.047 310 Y HN 0.080 nan 8.280 nan 0.000 0.522 311 F N -0.677 119.342 119.950 0.116 0.000 2.477 311 F HA 0.301 4.828 4.527 -0.000 0.000 0.335 311 F C 1.004 176.834 175.800 0.050 0.000 1.130 311 F CA -1.381 56.669 58.000 0.082 0.000 0.948 311 F CB 1.185 40.227 39.000 0.070 0.000 1.154 311 F HN -0.257 nan 8.300 nan 0.000 0.439 312 N N 2.336 121.152 118.700 0.193 0.000 2.142 312 N HA -0.139 4.600 4.740 -0.000 0.000 0.186 312 N C 0.027 175.625 175.510 0.147 0.000 1.023 312 N CA 1.392 54.522 53.050 0.133 0.000 0.852 312 N CB 0.238 38.780 38.487 0.092 0.000 0.998 312 N HN 0.553 nan 8.380 nan 0.000 0.424 313 K N 0.067 120.574 120.400 0.179 0.000 2.613 313 K HA 0.221 4.540 4.320 -0.000 0.000 0.248 313 K C -1.683 174.988 176.600 0.118 0.000 0.959 313 K CA -0.742 55.623 56.287 0.131 0.000 0.855 313 K CB 0.730 33.289 32.500 0.098 0.000 1.143 313 K HN 0.064 nan 8.250 nan 0.000 0.437 314 L N 4.755 125.969 121.223 -0.014 0.000 2.361 314 L HA 0.171 4.511 4.340 -0.000 0.000 0.278 314 L C 0.537 177.327 176.870 -0.133 0.000 1.113 314 L CA 0.561 55.236 54.840 -0.274 0.000 0.849 314 L CB 0.838 42.596 42.059 -0.503 0.000 1.155 314 L HN 0.732 nan 8.230 nan 0.000 0.452 315 D N 3.912 124.248 120.400 -0.107 0.000 2.103 315 D HA 0.159 4.799 4.640 -0.000 0.000 0.199 315 D C 0.205 176.514 176.300 0.016 0.000 0.978 315 D CA 1.474 55.472 54.000 -0.003 0.000 0.829 315 D CB 0.199 41.016 40.800 0.028 0.000 0.981 315 D HN 0.638 nan 8.370 nan 0.000 0.464 316 A N -0.501 122.289 122.820 -0.049 0.000 2.605 316 A HA 0.481 4.801 4.320 -0.000 0.000 0.294 316 A C -1.862 175.687 177.584 -0.057 0.000 1.062 316 A CA -0.707 51.331 52.037 0.002 0.000 0.682 316 A CB 0.999 20.010 19.000 0.018 0.000 1.278 316 A HN 0.060 nan 8.150 nan 0.000 0.410 317 L N 1.643 122.872 121.223 0.010 0.000 2.276 317 L HA 0.735 5.075 4.340 -0.000 0.000 0.286 317 L C -0.933 175.823 176.870 -0.190 0.000 1.061 317 L CA -0.102 54.671 54.840 -0.112 0.000 0.807 317 L CB 1.319 43.298 42.059 -0.134 0.000 1.177 317 L HN 0.480 nan 8.230 nan 0.000 0.429 318 V N 5.936 125.711 119.914 -0.231 0.000 2.409 318 V HA 0.428 4.548 4.120 -0.000 0.000 0.291 318 V C -0.391 175.563 176.094 -0.233 0.000 1.020 318 V CA -0.434 61.762 62.300 -0.174 0.000 0.848 318 V CB 1.174 32.952 31.823 -0.074 0.000 0.990 318 V HN 0.533 nan 8.190 nan 0.000 0.430 319 F N 2.708 122.648 119.950 -0.016 0.000 2.394 319 F HA 0.732 5.259 4.527 -0.000 0.000 0.340 319 F C 0.693 176.461 175.800 -0.054 0.000 1.105 319 F CA 0.129 58.116 58.000 -0.021 0.000 1.124 319 F CB 1.955 40.942 39.000 -0.020 0.000 1.145 319 F HN 0.530 nan 8.300 nan 0.000 0.505 320 T N 0.693 115.305 114.554 0.098 0.000 2.731 320 T HA 0.688 5.038 4.350 -0.000 0.000 0.300 320 T C -0.543 173.995 174.700 -0.270 0.000 1.283 320 T CA 0.120 62.179 62.100 -0.068 0.000 1.005 320 T CB 1.160 69.980 68.868 -0.081 0.000 1.420 320 T HN 1.335 nan 8.240 nan 0.000 0.503 321 G N -0.353 108.184 108.800 -0.438 0.000 2.756 321 G HA2 0.184 4.144 3.960 -0.000 0.000 0.678 321 G HA3 0.184 4.144 3.960 -0.000 0.000 0.678 321 G C 0.909 175.658 174.900 -0.252 0.000 1.349 321 G CA 0.095 44.833 45.100 -0.603 0.000 0.847 321 G HN 1.503 nan 8.290 nan 0.000 0.548 322 G N -0.688 108.005 108.800 -0.179 0.000 2.469 322 G HA2 -0.074 3.886 3.960 -0.000 0.000 0.219 322 G HA3 -0.074 3.886 3.960 -0.000 0.000 0.219 322 G C 1.827 176.682 174.900 -0.075 0.000 1.150 322 G CA 1.790 46.833 45.100 -0.096 0.000 0.763 322 G HN 0.865 nan 8.290 nan 0.000 0.561 323 I N 0.760 121.296 120.570 -0.056 0.000 2.339 323 I HA 0.051 4.221 4.170 -0.000 0.000 0.245 323 I C 3.091 179.180 176.117 -0.047 0.000 1.096 323 I CA 0.785 62.061 61.300 -0.039 0.000 1.408 323 I CB -0.487 37.525 38.000 0.019 0.000 1.092 323 I HN 0.218 nan 8.210 nan 0.000 0.423 324 G N 0.575 109.363 108.800 -0.019 0.000 2.442 324 G HA2 -0.222 3.738 3.960 -0.000 0.000 0.219 324 G HA3 -0.222 3.738 3.960 -0.000 0.000 0.219 324 G C 1.507 176.388 174.900 -0.030 0.000 1.141 324 G CA 0.669 45.783 45.100 0.023 0.000 0.763 324 G HN 0.413 nan 8.290 nan 0.000 0.554 325 E N -0.034 120.133 120.200 -0.054 0.000 2.216 325 E HA 0.015 4.365 4.350 -0.000 0.000 0.192 325 E C 1.759 178.323 176.600 -0.061 0.000 0.988 325 E CA 0.545 56.915 56.400 -0.051 0.000 0.834 325 E CB 0.159 29.823 29.700 -0.061 0.000 0.772 325 E HN 0.345 nan 8.360 nan 0.000 0.479 326 N N -0.379 118.277 118.700 -0.074 0.000 2.360 326 N HA 0.096 4.836 4.740 -0.000 0.000 0.211 326 N C -0.131 175.331 175.510 -0.081 0.000 1.147 326 N CA 0.176 53.184 53.050 -0.069 0.000 0.866 326 N CB 0.964 39.414 38.487 -0.062 0.000 1.206 326 N HN -0.083 nan 8.380 nan 0.000 0.478 327 A N 1.161 123.920 122.820 -0.103 0.000 2.798 327 A HA 0.616 4.936 4.320 -0.000 0.000 0.316 327 A C 1.337 178.840 177.584 -0.135 0.000 1.506 327 A CA -0.170 51.800 52.037 -0.112 0.000 1.162 327 A CB -0.126 18.802 19.000 -0.120 0.000 1.138 327 A HN 0.215 nan 8.150 nan 0.000 0.532 328 A N 2.700 125.459 122.820 -0.102 0.000 1.940 328 A HA -0.197 4.123 4.320 -0.000 0.000 0.219 328 A C 2.063 179.598 177.584 -0.083 0.000 1.176 328 A CA 1.740 53.720 52.037 -0.094 0.000 0.631 328 A CB -0.524 18.449 19.000 -0.044 0.000 0.814 328 A HN 0.875 nan 8.150 nan 0.000 0.446 329 N N 0.486 119.145 118.700 -0.068 0.000 2.166 329 N HA -0.150 4.590 4.740 -0.000 0.000 0.186 329 N C 1.462 176.938 175.510 -0.056 0.000 1.019 329 N CA 1.774 54.795 53.050 -0.048 0.000 0.856 329 N CB -0.496 37.961 38.487 -0.050 0.000 0.993 329 N HN 0.385 nan 8.380 nan 0.000 0.426 330 I N 1.439 121.953 120.570 -0.092 0.000 2.286 330 I HA -0.072 4.098 4.170 -0.000 0.000 0.245 330 I C 2.555 178.608 176.117 -0.108 0.000 1.104 330 I CA 0.756 62.011 61.300 -0.075 0.000 1.397 330 I CB -0.887 37.057 38.000 -0.093 0.000 1.072 330 I HN 0.156 nan 8.210 nan 0.000 0.417 331 R N 0.850 121.179 120.500 -0.285 0.000 2.081 331 R HA -0.203 4.137 4.340 -0.000 0.000 0.235 331 R C 2.268 178.467 176.300 -0.169 0.000 1.131 331 R CA 1.431 57.217 56.100 -0.523 0.000 0.960 331 R CB -0.374 29.452 30.300 -0.790 0.000 0.856 331 R HN 0.344 nan 8.270 nan 0.000 0.436 332 K N 0.859 121.214 120.400 -0.076 0.000 2.063 332 K HA -0.200 4.119 4.320 -0.000 0.000 0.208 332 K C 1.987 178.624 176.600 0.061 0.000 1.048 332 K CA 1.584 57.890 56.287 0.031 0.000 0.928 332 K CB -0.136 32.417 32.500 0.087 0.000 0.713 332 K HN 0.064 nan 8.250 nan 0.000 0.442 333 N N 1.244 119.973 118.700 0.047 0.000 2.106 333 N HA -0.135 4.605 4.740 -0.000 0.000 0.188 333 N C 1.891 177.461 175.510 0.101 0.000 1.029 333 N CA 1.413 54.508 53.050 0.075 0.000 0.848 333 N CB -0.127 38.402 38.487 0.071 0.000 1.007 333 N HN 0.266 nan 8.380 nan 0.000 0.423 334 I N 0.923 121.560 120.570 0.111 0.000 2.163 334 I HA -0.257 3.913 4.170 -0.000 0.000 0.243 334 I C 2.029 178.213 176.117 0.111 0.000 1.085 334 I CA 0.714 62.098 61.300 0.140 0.000 1.347 334 I CB -0.160 37.980 38.000 0.233 0.000 1.044 334 I HN 0.129 nan 8.210 nan 0.000 0.408 335 I N 0.018 120.666 120.570 0.130 0.000 2.315 335 I HA -0.243 3.927 4.170 -0.000 0.000 0.248 335 I C 2.770 178.957 176.117 0.117 0.000 1.117 335 I CA 1.284 62.656 61.300 0.120 0.000 1.404 335 I CB -1.379 36.718 38.000 0.161 0.000 1.071 335 I HN 0.214 nan 8.210 nan 0.000 0.419 336 S N 0.977 116.743 115.700 0.110 0.000 2.374 336 S HA -0.234 4.236 4.470 -0.000 0.000 0.227 336 S C 1.916 176.581 174.600 0.108 0.000 1.037 336 S CA 1.618 59.883 58.200 0.108 0.000 1.024 336 S CB -0.108 63.153 63.200 0.102 0.000 0.861 336 S HN 0.427 nan 8.310 nan 0.000 0.456 337 K N 0.085 120.548 120.400 0.105 0.000 2.439 337 K HA 0.157 4.477 4.320 -0.000 0.000 0.197 337 K C 1.101 177.756 176.600 0.092 0.000 1.041 337 K CA 0.491 56.845 56.287 0.112 0.000 0.970 337 K CB -0.038 32.546 32.500 0.139 0.000 0.773 337 K HN 0.387 nan 8.250 nan 0.000 0.479 338 L N -0.010 121.264 121.223 0.085 0.000 2.700 338 L HA 0.184 4.524 4.340 -0.000 0.000 0.234 338 L C 1.814 178.828 176.870 0.240 0.000 1.156 338 L CA -0.290 54.617 54.840 0.112 0.000 0.946 338 L CB 0.134 42.148 42.059 -0.075 0.000 1.216 338 L HN 0.083 nan 8.230 nan 0.000 0.493 339 A N 0.684 123.609 122.820 0.174 0.000 1.917 339 A HA -0.227 4.093 4.320 -0.000 0.000 0.219 339 A C 1.902 179.572 177.584 0.144 0.000 1.182 339 A CA 1.834 53.966 52.037 0.157 0.000 0.633 339 A CB -0.361 18.705 19.000 0.111 0.000 0.819 339 A HN 0.475 nan 8.150 nan 0.000 0.448 340 N N -0.664 118.115 118.700 0.131 0.000 2.550 340 N HA -0.014 4.726 4.740 -0.000 0.000 0.186 340 N C 0.475 176.061 175.510 0.127 0.000 1.110 340 N CA 0.683 53.797 53.050 0.106 0.000 0.912 340 N CB -0.039 38.500 38.487 0.087 0.000 0.968 340 N HN 0.330 nan 8.380 nan 0.000 0.448 341 L N -0.549 120.800 121.223 0.209 0.000 2.700 341 L HA 0.319 4.659 4.340 -0.000 0.000 0.234 341 L C 1.142 178.119 176.870 0.180 0.000 1.156 341 L CA -0.025 54.971 54.840 0.260 0.000 0.946 341 L CB -0.187 42.127 42.059 0.424 0.000 1.216 341 L HN 0.138 nan 8.230 nan 0.000 0.493 342 G N -1.237 107.602 108.800 0.065 0.000 2.160 342 G HA2 -0.301 3.659 3.960 -0.000 0.000 0.244 342 G HA3 -0.301 3.659 3.960 -0.000 0.000 0.244 342 G C 0.129 174.842 174.900 -0.312 0.000 1.022 342 G CA -0.029 44.962 45.100 -0.182 0.000 0.741 342 G HN 0.180 nan 8.290 nan 0.000 0.508 346 D N 5.027 125.350 120.400 -0.129 0.000 2.329 346 D HA 0.258 4.897 4.640 -0.000 0.000 0.232 346 D C 0.612 176.839 176.300 -0.122 0.000 1.088 346 D CA -0.138 53.790 54.000 -0.120 0.000 0.835 346 D CB 0.958 41.751 40.800 -0.013 0.000 1.078 346 D HN 0.507 nan 8.370 nan 0.000 0.495 347 H N 2.666 121.756 119.070 0.034 0.000 2.353 347 H HA -0.141 4.415 4.556 -0.000 0.000 0.300 347 H C 1.493 176.831 175.328 0.017 0.000 1.090 347 H CA 1.263 57.325 56.048 0.022 0.000 1.327 347 H CB 0.255 30.027 29.762 0.016 0.000 1.383 347 H HN 0.474 nan 8.280 nan 0.000 0.508 348 Q N 1.599 121.474 119.800 0.125 0.000 2.079 348 Q HA -0.082 4.257 4.340 -0.000 0.000 0.200 348 Q C 2.050 178.083 176.000 0.056 0.000 0.974 348 Q CA 1.431 57.280 55.803 0.077 0.000 0.840 348 Q CB 0.122 28.896 28.738 0.059 0.000 0.898 348 Q HN 0.295 nan 8.270 nan 0.000 0.430 349 K N -0.041 120.390 120.400 0.052 0.000 2.057 349 K HA -0.139 4.181 4.320 -0.000 0.000 0.207 349 K C 1.986 178.613 176.600 0.045 0.000 1.049 349 K CA 1.283 57.601 56.287 0.051 0.000 0.931 349 K CB -0.242 32.297 32.500 0.065 0.000 0.714 349 K HN 0.199 nan 8.250 nan 0.000 0.440 350 N N 0.882 119.605 118.700 0.039 0.000 2.104 350 N HA -0.172 4.567 4.740 -0.000 0.000 0.190 350 N C 1.627 177.149 175.510 0.019 0.000 1.024 350 N CA 1.880 54.944 53.050 0.023 0.000 0.853 350 N CB -0.174 38.325 38.487 0.021 0.000 1.008 350 N HN 0.184 nan 8.380 nan 0.000 0.424 351 S N -0.925 114.797 115.700 0.036 0.000 2.419 351 S HA -0.039 4.430 4.470 -0.000 0.000 0.233 351 S C 1.247 175.852 174.600 0.009 0.000 1.016 351 S CA 0.878 59.091 58.200 0.023 0.000 0.974 351 S CB -0.270 62.949 63.200 0.031 0.000 0.786 351 S HN 0.302 nan 8.310 nan 0.000 0.492 352 N N 0.978 119.687 118.700 0.014 0.000 2.251 352 N HA 0.240 4.980 4.740 -0.000 0.000 0.217 352 N C -0.474 175.040 175.510 0.005 0.000 1.124 352 N CA 0.394 53.450 53.050 0.009 0.000 0.843 352 N CB 0.423 38.920 38.487 0.015 0.000 1.024 352 N HN 0.331 nan 8.380 nan 0.000 0.501 353 S N 1.047 116.747 115.700 0.000 0.000 3.559 353 S HA -0.180 4.290 4.470 -0.000 0.000 0.369 353 S C 0.278 174.883 174.600 0.008 0.000 0.987 353 S CA 0.696 58.893 58.200 -0.005 0.000 1.187 353 S CB -1.207 61.980 63.200 -0.020 0.000 0.914 353 S HN 0.446 nan 8.310 nan 0.000 0.480 354 E N 0.287 120.503 120.200 0.027 0.000 2.391 354 E HA 0.146 4.496 4.350 -0.000 0.000 0.255 354 E C 1.600 178.216 176.600 0.027 0.000 1.187 354 E CA 0.011 56.435 56.400 0.041 0.000 0.941 354 E CB 0.285 30.027 29.700 0.070 0.000 1.010 354 E HN 0.285 nan 8.360 nan 0.000 0.458 355 T N 0.749 115.318 114.554 0.024 0.000 2.684 355 T HA -0.129 4.220 4.350 -0.000 0.000 0.267 355 T C 0.248 174.807 174.700 -0.235 0.000 1.036 355 T CA 1.375 63.421 62.100 -0.089 0.000 1.148 355 T CB -0.116 68.726 68.868 -0.044 0.000 0.863 355 T HN 0.214 nan 8.240 nan 0.000 0.436 356 F N 0.509 120.483 119.950 0.039 0.000 2.458 356 F HA 0.457 4.983 4.527 -0.000 0.000 0.336 356 F C 0.911 176.741 175.800 0.050 0.000 1.114 356 F CA -1.212 56.817 58.000 0.048 0.000 0.987 356 F CB 1.202 40.224 39.000 0.036 0.000 1.130 356 F HN 0.005 nan 8.300 nan 0.000 0.458 357 I N -0.201 120.501 120.570 0.220 0.000 4.147 357 I HA 0.249 4.419 4.170 -0.000 0.000 0.329 357 I C -0.068 176.129 176.117 0.134 0.000 1.424 357 I CA -0.510 60.878 61.300 0.145 0.000 1.127 357 I CB -0.159 37.903 38.000 0.104 0.000 1.128 357 I HN 0.408 nan 8.210 nan 0.000 0.417 358 N N 1.690 120.498 118.700 0.181 0.000 2.483 358 N HA 0.153 4.893 4.740 -0.000 0.000 0.269 358 N C -0.245 175.308 175.510 0.071 0.000 1.209 358 N CA -0.249 52.884 53.050 0.138 0.000 0.969 358 N CB 1.727 40.319 38.487 0.175 0.000 1.173 358 N HN 0.155 nan 8.380 nan 0.000 0.475 359 S N -0.633 115.087 115.700 0.033 0.000 2.686 359 S HA 0.062 4.531 4.470 -0.000 0.000 0.270 359 S C 1.283 175.879 174.600 -0.008 0.000 1.194 359 S CA -0.620 57.582 58.200 0.003 0.000 0.990 359 S CB 0.809 64.001 63.200 -0.014 0.000 1.029 359 S HN 0.721 nan 8.310 nan 0.000 0.560 360 K N 0.704 121.092 120.400 -0.019 0.000 2.032 360 K HA -0.090 4.230 4.320 -0.000 0.000 0.209 360 K C -0.150 176.421 176.600 -0.049 0.000 1.048 360 K CA 1.376 57.642 56.287 -0.034 0.000 0.927 360 K CB -0.243 32.239 32.500 -0.029 0.000 0.712 360 K HN 0.466 nan 8.250 nan 0.000 0.441 361 N N 1.143 119.813 118.700 -0.049 0.000 2.949 361 N HA 0.077 4.817 4.740 -0.000 0.000 0.243 361 N C -1.467 173.978 175.510 -0.108 0.000 1.113 361 N CA 0.037 53.041 53.050 -0.076 0.000 0.980 361 N CB 1.272 39.722 38.487 -0.062 0.000 1.256 361 N HN 0.101 nan 8.380 nan 0.000 0.508 362 S N 0.524 116.137 115.700 -0.145 0.000 2.558 362 S HA 0.180 4.650 4.470 -0.000 0.000 0.277 362 S C -1.071 173.387 174.600 -0.237 0.000 1.143 362 S CA -0.697 57.388 58.200 -0.192 0.000 0.865 362 S CB 0.558 63.735 63.200 -0.037 0.000 1.102 362 S HN 0.392 nan 8.310 nan 0.000 0.454 363 H N 2.423 121.319 119.070 -0.289 0.000 2.998 363 H HA 0.110 4.665 4.556 -0.000 0.000 0.353 363 H C 0.482 175.789 175.328 -0.035 0.000 1.099 363 H CA 0.562 56.451 56.048 -0.265 0.000 1.393 363 H CB 0.217 29.598 29.762 -0.635 0.000 1.343 363 H HN 0.523 nan 8.280 nan 0.000 0.609 364 N N 1.733 120.547 118.700 0.190 0.000 2.458 364 N HA 0.085 4.825 4.740 -0.000 0.000 0.258 364 N C 0.443 176.122 175.510 0.280 0.000 1.219 364 N CA 0.357 53.572 53.050 0.275 0.000 0.902 364 N CB 0.698 39.397 38.487 0.353 0.000 1.076 364 N HN 0.405 nan 8.380 nan 0.000 0.455 368 I N 3.468 124.028 120.570 -0.016 0.000 2.499 368 I HA 0.742 4.911 4.170 -0.000 0.000 0.288 368 I C 0.485 176.605 176.117 0.005 0.000 1.048 368 I CA -0.796 60.489 61.300 -0.026 0.000 1.062 368 I CB 2.188 40.156 38.000 -0.052 0.000 1.238 368 I HN 0.747 nan 8.210 nan 0.000 0.426 369 A N 4.234 127.066 122.820 0.019 0.000 2.450 369 A HA 0.422 4.741 4.320 -0.000 0.000 0.255 369 A C 0.229 177.864 177.584 0.084 0.000 1.096 369 A CA 0.139 52.186 52.037 0.018 0.000 0.778 369 A CB 0.482 19.486 19.000 0.007 0.000 1.031 369 A HN 0.698 nan 8.150 nan 0.000 0.494 370 T N 1.168 115.730 114.554 0.014 0.000 2.899 370 T HA 0.389 4.739 4.350 -0.000 0.000 0.284 370 T C -0.069 174.522 174.700 -0.182 0.000 1.004 370 T CA -0.403 61.713 62.100 0.027 0.000 1.043 370 T CB 0.158 69.018 68.868 -0.013 0.000 1.013 370 T HN 0.696 nan 8.240 nan 0.000 0.518 371 N N 1.938 120.307 118.700 -0.552 0.000 2.751 371 N HA 0.168 4.908 4.740 -0.000 0.000 0.234 371 N C 0.297 175.420 175.510 -0.646 0.000 1.403 371 N CA -0.237 52.445 53.050 -0.615 0.000 0.747 371 N CB 0.826 38.903 38.487 -0.683 0.000 1.326 371 N HN 0.684 nan 8.380 nan 0.000 0.532 372 E N 0.266 120.256 120.200 -0.350 0.000 2.150 372 E HA -0.139 4.211 4.350 -0.000 0.000 0.193 372 E C 0.646 177.117 176.600 -0.216 0.000 0.985 372 E CA 1.315 57.567 56.400 -0.247 0.000 0.814 372 E CB 0.411 30.027 29.700 -0.141 0.000 0.752 372 E HN 0.492 nan 8.360 nan 0.000 0.466 373 E N 0.631 120.708 120.200 -0.205 0.000 2.072 373 E HA -0.094 4.256 4.350 -0.000 0.000 0.191 373 E C 0.754 177.257 176.600 -0.161 0.000 0.985 373 E CA 0.248 56.552 56.400 -0.160 0.000 0.801 373 E CB -0.145 29.469 29.700 -0.144 0.000 0.750 373 E HN 0.082 nan 8.360 nan 0.000 0.452 377 A N 0.809 123.589 122.820 -0.066 0.000 1.933 377 A HA -0.202 4.118 4.320 -0.000 0.000 0.218 377 A C 1.984 179.556 177.584 -0.021 0.000 1.175 377 A CA 1.983 53.992 52.037 -0.047 0.000 0.628 377 A CB -0.446 18.526 19.000 -0.047 0.000 0.814 377 A HN 0.541 nan 8.150 nan 0.000 0.444 378 Q N -0.714 119.082 119.800 -0.008 0.000 2.079 378 Q HA -0.138 4.201 4.340 -0.000 0.000 0.200 378 Q C 1.950 177.958 176.000 0.014 0.000 0.974 378 Q CA 1.246 57.059 55.803 0.016 0.000 0.840 378 Q CB -0.135 28.627 28.738 0.040 0.000 0.898 378 Q HN 0.589 nan 8.270 nan 0.000 0.430 379 E N 0.080 120.283 120.200 0.004 0.000 2.110 379 E HA -0.138 4.212 4.350 -0.000 0.000 0.193 379 E C 2.014 178.615 176.600 0.002 0.000 0.988 379 E CA 1.391 57.795 56.400 0.007 0.000 0.804 379 E CB -0.133 29.563 29.700 -0.006 0.000 0.745 379 E HN 0.340 nan 8.360 nan 0.000 0.458 380 T N 1.152 115.698 114.554 -0.014 0.000 2.732 380 T HA -0.179 4.170 4.350 -0.000 0.000 0.261 380 T C 1.920 176.620 174.700 -0.001 0.000 1.040 380 T CA 1.546 63.638 62.100 -0.015 0.000 1.145 380 T CB -0.225 68.622 68.868 -0.035 0.000 0.866 380 T HN 0.076 nan 8.240 nan 0.000 0.427 381 Q N 1.996 121.797 119.800 0.002 0.000 2.112 381 Q HA -0.149 4.191 4.340 -0.000 0.000 0.206 381 Q C 2.016 178.027 176.000 0.018 0.000 0.987 381 Q CA 1.777 57.587 55.803 0.011 0.000 0.858 381 Q CB -0.702 28.048 28.738 0.019 0.000 0.905 381 Q HN 0.586 nan 8.270 nan 0.000 0.420 382 N N -0.794 117.919 118.700 0.022 0.000 2.272 382 N HA -0.138 4.601 4.740 -0.000 0.000 0.185 382 N C 0.982 176.509 175.510 0.029 0.000 1.014 382 N CA 1.055 54.121 53.050 0.028 0.000 0.870 382 N CB 0.024 38.531 38.487 0.033 0.000 0.975 382 N HN 0.381 nan 8.380 nan 0.000 0.433 383 L N 0.994 122.233 121.223 0.026 0.000 2.640 383 L HA 0.294 4.633 4.340 -0.000 0.000 0.230 383 L C 0.933 177.819 176.870 0.026 0.000 1.123 383 L CA -0.158 54.700 54.840 0.030 0.000 0.900 383 L CB 0.078 42.158 42.059 0.034 0.000 1.146 383 L HN 0.188 nan 8.230 nan 0.000 0.484 384 I N 0.000 120.582 120.570 0.020 0.000 2.984 384 I HA 0.000 4.170 4.170 -0.000 0.000 0.288 384 I CA 0.000 61.310 61.300 0.017 0.000 1.566 384 I CB 0.000 38.007 38.000 0.012 0.000 1.214 384 I HN 0.000 nan 8.210 nan 0.000 0.494