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 1ems_1_B DATA FIRST_RESID 10 DATA SEQUENCE MATGRHFIAV CQMTSDNDLE KNFQAAKNMI ERAGEKKCEM VFLPECFDFI DATA SEQUENCE GLNKNEQIDL AMATDCEYME KYRELARKHN IWLSLGGLHH KDPSDAAHPW DATA SEQUENCE NTHLIIDSDG VTRAEYNKLH LFDLEIPGKV RLMESEFSKA GTEMIPPVDT DATA SEQUENCE PIGRLGLSIC YDVRFPELSL WNRKRGAQLL SFPSAFTLNT GLAHWETLLR DATA SEQUENCE ARAIENQCYV VAAAQTGAHN PKRQSYGHSM VVDPWGAVVA QCSERVDMCF DATA SEQUENCE AEIDLSYVDT LREMQPVFSH RRSDLYTLHI NEKSSETGGL KFARFNIPAD DATA SEQUENCE HIFYSTPHSF VFVNLKPVTD GHVLVSPKRV VPRLTDLTDA ETADLFIVAK DATA SEQUENCE KVQAMLEKHH NVTSTTICVQ DGKDAGQTVP HVHIHILPRR AGDXXXXXXX DATA SEQUENCE XXXXXXXXXX XXXXRSNEQM AEEAVVYRNL M 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 10 M HA 0.000 nan 4.480 nan 0.000 0.227 10 M C 0.000 176.266 176.300 -0.056 0.000 1.140 10 M CA 0.000 55.270 55.300 -0.050 0.000 0.988 10 M CB 0.000 32.567 32.600 -0.056 0.000 1.302 11 A N 1.283 124.040 122.820 -0.104 0.000 2.587 11 A HA 0.439 4.760 4.320 0.001 0.000 0.235 11 A C -0.001 177.570 177.584 -0.022 0.000 1.044 11 A CA 1.075 53.038 52.037 -0.124 0.000 0.754 11 A CB 0.040 18.859 19.000 -0.302 0.000 0.968 11 A HN 0.705 nan 8.150 nan 0.000 0.509 12 T N 0.352 114.972 114.554 0.110 0.000 2.821 12 T HA 0.664 5.015 4.350 0.001 0.000 0.306 12 T C 0.268 175.094 174.700 0.210 0.000 1.313 12 T CA 1.194 63.367 62.100 0.122 0.000 1.012 12 T CB 0.854 69.753 68.868 0.052 0.000 1.298 12 T HN 2.753 nan 8.240 nan 0.000 0.502 13 G N 2.450 111.304 108.800 0.090 0.000 2.553 13 G HA2 -0.146 3.814 3.960 0.001 0.000 0.242 13 G HA3 -0.146 3.814 3.960 0.001 0.000 0.242 13 G C -0.679 174.157 174.900 -0.107 0.000 1.277 13 G CA -0.186 44.901 45.100 -0.021 0.000 0.910 13 G HN 0.898 nan 8.290 nan 0.000 0.576 14 R N 0.512 120.836 120.500 -0.292 0.000 2.457 14 R HA 0.625 4.966 4.340 0.001 0.000 0.284 14 R C -0.511 175.378 176.300 -0.685 0.000 1.024 14 R CA -0.546 55.380 56.100 -0.291 0.000 1.025 14 R CB 0.963 31.161 30.300 -0.170 0.000 1.063 14 R HN 0.635 nan 8.270 nan 0.000 0.493 15 H N 1.722 120.790 119.070 -0.004 0.000 2.947 15 H HA 0.191 4.748 4.556 0.001 0.000 0.354 15 H C -1.370 174.032 175.328 0.123 0.000 1.085 15 H CA -0.665 55.399 56.048 0.026 0.000 1.253 15 H CB 1.720 31.456 29.762 -0.044 0.000 1.757 15 H HN 0.372 nan 8.280 nan 0.000 0.523 16 F N 4.937 124.927 119.950 0.067 0.000 2.410 16 F HA 0.466 4.994 4.527 0.001 0.000 0.349 16 F C -0.030 175.844 175.800 0.123 0.000 1.117 16 F CA -0.987 57.058 58.000 0.074 0.000 1.104 16 F CB 0.264 39.296 39.000 0.054 0.000 1.122 16 F HN 0.479 nan 8.300 nan 0.000 0.483 17 I N 2.633 123.059 120.570 -0.241 0.000 2.969 17 I HA 0.932 5.103 4.170 0.001 0.000 0.307 17 I C -1.645 174.318 176.117 -0.257 0.000 1.149 17 I CA -1.118 60.099 61.300 -0.138 0.000 1.008 17 I CB 2.132 40.178 38.000 0.077 0.000 1.232 17 I HN 0.627 nan 8.210 nan 0.000 0.435 18 A N 4.001 126.753 122.820 -0.113 0.000 2.371 18 A HA 0.787 5.107 4.320 0.001 0.000 0.311 18 A C -1.095 176.437 177.584 -0.087 0.000 1.068 18 A CA -0.636 51.253 52.037 -0.247 0.000 0.744 18 A CB 1.748 20.569 19.000 -0.299 0.000 1.239 18 A HN 0.554 nan 8.150 nan 0.000 0.435 19 V N 1.643 121.446 119.914 -0.185 0.000 2.398 19 V HA 0.313 4.434 4.120 0.001 0.000 0.286 19 V C -0.208 175.832 176.094 -0.091 0.000 1.026 19 V CA -0.498 61.763 62.300 -0.065 0.000 0.868 19 V CB 1.099 32.865 31.823 -0.096 0.000 0.982 19 V HN 1.002 nan 8.190 nan 0.000 0.443 20 C N 4.604 123.900 119.300 -0.006 0.000 2.350 20 C HA 0.614 5.075 4.460 0.001 0.000 0.348 20 C C 0.165 175.168 174.990 0.022 0.000 1.260 20 C CA -0.537 58.471 59.018 -0.015 0.000 1.966 20 C CB 0.790 28.537 27.740 0.011 0.000 2.380 20 C HN 0.931 nan 8.230 nan 0.000 0.535 21 Q N 4.003 123.804 119.800 0.002 0.000 2.340 21 Q HA 0.830 5.170 4.340 0.001 0.000 0.268 21 Q C -0.862 175.156 176.000 0.030 0.000 1.031 21 Q CA -0.419 55.394 55.803 0.016 0.000 0.804 21 Q CB 1.165 29.888 28.738 -0.025 0.000 1.286 21 Q HN 0.906 nan 8.270 nan 0.000 0.448 22 M N 0.685 120.326 119.600 0.068 0.000 2.683 22 M HA 0.518 4.998 4.480 0.001 0.000 0.274 22 M C -1.215 175.163 176.300 0.129 0.000 1.272 22 M CA -0.937 54.416 55.300 0.089 0.000 0.833 22 M CB 2.172 34.845 32.600 0.122 0.000 1.708 22 M HN 0.456 nan 8.290 nan 0.000 0.463 23 T N 1.063 115.698 114.554 0.135 0.000 3.155 23 T HA 0.459 4.809 4.350 0.001 0.000 0.384 23 T C -0.755 174.110 174.700 0.275 0.000 1.351 23 T CA -0.270 61.948 62.100 0.196 0.000 1.198 23 T CB 0.078 68.953 68.868 0.012 0.000 1.106 23 T HN 0.671 nan 8.240 nan 0.000 0.564 24 S N 4.319 120.207 115.700 0.313 0.000 2.562 24 S HA 0.221 4.692 4.470 0.001 0.000 0.281 24 S C 0.420 175.163 174.600 0.238 0.000 1.333 24 S CA -0.451 57.882 58.200 0.222 0.000 1.052 24 S CB 0.652 63.929 63.200 0.130 0.000 0.884 24 S HN 0.735 nan 8.310 nan 0.000 0.506 25 D N 0.837 121.347 120.400 0.184 0.000 2.511 25 D HA 0.233 4.873 4.640 0.001 0.000 0.283 25 D C 0.951 177.335 176.300 0.140 0.000 1.198 25 D CA -0.316 53.775 54.000 0.151 0.000 1.097 25 D CB 0.284 41.152 40.800 0.114 0.000 1.160 25 D HN 0.600 nan 8.370 nan 0.000 0.589 26 N N -0.060 118.690 118.700 0.083 0.000 2.200 26 N HA -0.046 4.695 4.740 0.001 0.000 0.224 26 N C -0.623 174.858 175.510 -0.048 0.000 1.179 26 N CA -0.099 52.961 53.050 0.017 0.000 0.877 26 N CB 0.586 39.065 38.487 -0.015 0.000 1.072 26 N HN 0.123 nan 8.380 nan 0.000 0.519 27 D N 1.550 121.961 120.400 0.017 0.000 2.557 27 D HA 0.144 4.785 4.640 0.001 0.000 0.236 27 D C 1.031 177.360 176.300 0.048 0.000 1.154 27 D CA -0.539 53.468 54.000 0.012 0.000 0.985 27 D CB 0.555 41.380 40.800 0.042 0.000 1.010 27 D HN -0.107 nan 8.370 nan 0.000 0.516 28 L N 2.256 123.461 121.223 -0.029 0.000 2.151 28 L HA -0.209 4.132 4.340 0.001 0.000 0.215 28 L C 2.235 179.226 176.870 0.202 0.000 1.084 28 L CA 1.478 56.309 54.840 -0.016 0.000 0.764 28 L CB -0.593 41.225 42.059 -0.402 0.000 0.891 28 L HN 0.339 nan 8.230 nan 0.000 0.435 29 E N -0.142 120.151 120.200 0.155 0.000 2.051 29 E HA -0.186 4.164 4.350 0.001 0.000 0.189 29 E C 2.226 178.990 176.600 0.273 0.000 0.979 29 E CA 1.237 57.788 56.400 0.253 0.000 0.803 29 E CB -0.098 29.690 29.700 0.146 0.000 0.761 29 E HN 0.372 nan 8.360 nan 0.000 0.451 30 K N 0.086 120.594 120.400 0.179 0.000 2.002 30 K HA -0.174 4.146 4.320 0.001 0.000 0.209 30 K C 1.798 178.505 176.600 0.178 0.000 1.048 30 K CA 1.609 57.983 56.287 0.146 0.000 0.930 30 K CB -0.184 32.379 32.500 0.105 0.000 0.714 30 K HN 0.085 nan 8.250 nan 0.000 0.438 31 N N 0.638 119.475 118.700 0.228 0.000 2.061 31 N HA -0.213 4.528 4.740 0.001 0.000 0.193 31 N C 1.700 177.406 175.510 0.326 0.000 1.030 31 N CA 1.405 54.619 53.050 0.273 0.000 0.856 31 N CB -0.637 38.044 38.487 0.323 0.000 1.023 31 N HN 0.204 nan 8.380 nan 0.000 0.424 32 F N 2.573 122.705 119.950 0.303 0.000 2.069 32 F HA -0.195 4.332 4.527 0.001 0.000 0.298 32 F C 2.360 178.214 175.800 0.090 0.000 1.113 32 F CA 1.514 59.646 58.000 0.220 0.000 1.214 32 F CB -0.425 38.703 39.000 0.214 0.000 0.978 32 F HN -0.052 nan 8.300 nan 0.000 0.474 33 Q N 0.761 120.507 119.800 -0.090 0.000 2.112 33 Q HA -0.225 4.115 4.340 0.001 0.000 0.206 33 Q C 2.523 178.412 176.000 -0.186 0.000 0.987 33 Q CA 1.757 57.445 55.803 -0.193 0.000 0.858 33 Q CB -1.383 27.360 28.738 0.009 0.000 0.905 33 Q HN 0.571 nan 8.270 nan 0.000 0.420 34 A N 1.144 123.927 122.820 -0.063 0.000 1.859 34 A HA -0.181 4.139 4.320 0.001 0.000 0.217 34 A C 2.370 179.912 177.584 -0.069 0.000 1.198 34 A CA 2.581 54.601 52.037 -0.029 0.000 0.629 34 A CB -1.010 18.016 19.000 0.043 0.000 0.830 34 A HN 0.404 nan 8.150 nan 0.000 0.446 35 A N -0.257 122.526 122.820 -0.062 0.000 1.865 35 A HA -0.228 4.092 4.320 0.001 0.000 0.217 35 A C 2.181 179.646 177.584 -0.198 0.000 1.191 35 A CA 2.273 54.282 52.037 -0.046 0.000 0.623 35 A CB -0.610 18.474 19.000 0.140 0.000 0.826 35 A HN 0.589 nan 8.150 nan 0.000 0.444 36 K N -0.123 119.982 120.400 -0.492 0.000 2.113 36 K HA -0.252 4.068 4.320 0.001 0.000 0.208 36 K C 1.999 178.451 176.600 -0.246 0.000 1.047 36 K CA 1.774 57.758 56.287 -0.504 0.000 0.928 36 K CB -0.326 31.651 32.500 -0.871 0.000 0.716 36 K HN 0.592 nan 8.250 nan 0.000 0.446 37 N N 0.672 119.253 118.700 -0.197 0.000 2.120 37 N HA -0.159 4.582 4.740 0.001 0.000 0.188 37 N C 1.771 177.231 175.510 -0.083 0.000 1.024 37 N CA 1.522 54.508 53.050 -0.108 0.000 0.852 37 N CB -0.071 38.371 38.487 -0.074 0.000 1.003 37 N HN 0.316 nan 8.380 nan 0.000 0.424 38 M N 0.218 119.771 119.600 -0.079 0.000 2.200 38 M HA -0.018 4.462 4.480 0.001 0.000 0.265 38 M C 2.219 178.478 176.300 -0.069 0.000 1.066 38 M CA 0.907 56.173 55.300 -0.056 0.000 1.127 38 M CB -0.159 32.410 32.600 -0.052 0.000 1.379 38 M HN 0.091 nan 8.290 nan 0.000 0.420 39 I N 0.287 120.802 120.570 -0.091 0.000 2.226 39 I HA -0.280 3.890 4.170 0.001 0.000 0.245 39 I C 2.166 178.143 176.117 -0.233 0.000 1.100 39 I CA 1.477 62.718 61.300 -0.099 0.000 1.374 39 I CB -0.505 37.459 38.000 -0.059 0.000 1.057 39 I HN 0.347 nan 8.210 nan 0.000 0.413 40 E N 0.718 120.743 120.200 -0.291 0.000 2.058 40 E HA -0.242 4.109 4.350 0.001 0.000 0.194 40 E C 2.355 178.782 176.600 -0.290 0.000 0.997 40 E CA 1.247 57.349 56.400 -0.497 0.000 0.801 40 E CB -0.090 29.496 29.700 -0.190 0.000 0.746 40 E HN 0.422 nan 8.360 nan 0.000 0.450 41 R N 0.240 120.678 120.500 -0.105 0.000 2.115 41 R HA -0.055 4.286 4.340 0.001 0.000 0.230 41 R C 2.290 178.643 176.300 0.089 0.000 1.111 41 R CA 0.989 57.099 56.100 0.017 0.000 0.976 41 R CB -0.192 30.162 30.300 0.089 0.000 0.870 41 R HN 0.106 nan 8.270 nan 0.000 0.445 42 A N 0.570 123.425 122.820 0.059 0.000 1.930 42 A HA -0.052 4.269 4.320 0.001 0.000 0.217 42 A C 2.329 179.962 177.584 0.081 0.000 1.175 42 A CA 1.659 53.775 52.037 0.132 0.000 0.627 42 A CB -0.965 18.060 19.000 0.042 0.000 0.815 42 A HN 0.452 nan 8.150 nan 0.000 0.443 43 G N -0.583 108.187 108.800 -0.051 0.000 2.404 43 G HA2 -0.233 3.727 3.960 0.001 0.000 0.215 43 G HA3 -0.233 3.727 3.960 0.001 0.000 0.215 43 G C 1.437 176.370 174.900 0.055 0.000 1.174 43 G CA 0.989 46.086 45.100 -0.006 0.000 0.780 43 G HN 0.641 nan 8.290 nan 0.000 0.537 44 E N 0.543 120.750 120.200 0.012 0.000 2.130 44 E HA -0.164 4.186 4.350 0.001 0.000 0.196 44 E C 1.667 178.301 176.600 0.058 0.000 0.998 44 E CA 0.955 57.380 56.400 0.042 0.000 0.806 44 E CB -0.069 29.644 29.700 0.021 0.000 0.738 44 E HN 0.344 nan 8.360 nan 0.000 0.459 45 K N 0.375 120.827 120.400 0.087 0.000 2.476 45 K HA 0.042 4.363 4.320 0.001 0.000 0.196 45 K C -0.227 176.508 176.600 0.226 0.000 1.025 45 K CA 0.060 56.421 56.287 0.123 0.000 1.138 45 K CB 0.247 32.812 32.500 0.109 0.000 0.860 45 K HN 0.061 nan 8.250 nan 0.000 0.515 46 K N 0.311 120.813 120.400 0.169 0.000 3.077 46 K HA -0.192 4.129 4.320 0.001 0.000 0.264 46 K C -0.400 176.358 176.600 0.263 0.000 1.008 46 K CA 0.104 56.497 56.287 0.177 0.000 0.740 46 K CB -2.320 30.251 32.500 0.118 0.000 1.273 46 K HN 0.287 nan 8.250 nan 0.000 0.477 47 C N 0.641 120.093 119.300 0.253 0.000 2.604 47 C HA 0.069 4.530 4.460 0.001 0.000 0.396 47 C C 2.049 177.134 174.990 0.159 0.000 1.282 47 C CA -0.491 58.652 59.018 0.207 0.000 2.292 47 C CB 0.682 28.465 27.740 0.072 0.000 2.633 47 C HN 0.511 nan 8.230 nan 0.000 0.620 48 E N 0.357 120.640 120.200 0.138 0.000 2.340 48 E HA 0.098 4.448 4.350 0.001 0.000 0.194 48 E C 0.196 176.835 176.600 0.066 0.000 0.996 48 E CA 0.561 57.016 56.400 0.092 0.000 0.869 48 E CB 0.372 30.104 29.700 0.054 0.000 0.835 48 E HN 0.650 nan 8.360 nan 0.000 0.493 49 M N 0.836 120.473 119.600 0.060 0.000 2.465 49 M HA 0.273 4.754 4.480 0.001 0.000 0.284 49 M C -2.066 174.240 176.300 0.011 0.000 1.212 49 M CA -0.737 54.570 55.300 0.012 0.000 0.910 49 M CB 2.408 34.963 32.600 -0.074 0.000 1.725 49 M HN -0.256 nan 8.290 nan 0.000 0.477 50 V N 2.225 122.079 119.914 -0.100 0.000 2.588 50 V HA 0.619 4.740 4.120 0.001 0.000 0.304 50 V C -1.231 174.769 176.094 -0.157 0.000 1.042 50 V CA -0.670 61.621 62.300 -0.015 0.000 0.877 50 V CB 1.566 33.383 31.823 -0.010 0.000 0.996 50 V HN 0.673 nan 8.190 nan 0.000 0.425 51 F N 4.202 124.130 119.950 -0.037 0.000 2.436 51 F HA 0.793 5.321 4.527 0.001 0.000 0.340 51 F C -0.229 175.537 175.800 -0.057 0.000 1.113 51 F CA -0.859 57.120 58.000 -0.034 0.000 1.022 51 F CB 1.579 40.574 39.000 -0.008 0.000 1.128 51 F HN 0.233 nan 8.300 nan 0.000 0.466 52 L N 5.215 126.453 121.223 0.025 0.000 2.330 52 L HA 0.639 4.980 4.340 0.001 0.000 0.271 52 L C -2.209 174.676 176.870 0.024 0.000 1.013 52 L CA -2.023 52.809 54.840 -0.014 0.000 0.816 52 L CB 1.498 43.449 42.059 -0.180 0.000 1.287 52 L HN 0.332 nan 8.230 nan 0.000 0.435 53 P HA 0.080 nan 4.420 nan 0.000 0.276 53 P C -0.757 176.677 177.300 0.224 0.000 1.261 53 P CA -0.613 62.586 63.100 0.166 0.000 0.800 53 P CB 0.696 32.499 31.700 0.172 0.000 1.066 54 E N 0.207 120.525 120.200 0.197 0.000 2.413 54 E HA 0.007 4.358 4.350 0.001 0.000 0.263 54 E C -0.299 176.393 176.600 0.154 0.000 1.015 54 E CA -0.071 56.441 56.400 0.187 0.000 0.916 54 E CB -0.214 29.591 29.700 0.175 0.000 0.947 54 E HN 0.529 nan 8.360 nan 0.000 0.440 55 C N 3.860 123.214 119.300 0.091 0.000 4.497 55 C HA -0.211 4.250 4.460 0.001 0.000 0.292 55 C C 1.071 176.058 174.990 -0.005 0.000 1.366 55 C CA 0.492 59.502 59.018 -0.012 0.000 1.987 55 C CB -3.499 24.217 27.740 -0.040 0.000 1.241 55 C HN 0.877 nan 8.230 nan 0.000 0.788 56 F N 2.547 122.526 119.950 0.050 0.000 2.293 56 F HA -0.028 4.499 4.527 0.001 0.000 0.300 56 F C 1.700 177.612 175.800 0.187 0.000 1.086 56 F CA 1.735 59.794 58.000 0.099 0.000 1.375 56 F CB -0.524 38.513 39.000 0.061 0.000 1.045 56 F HN 0.401 nan 8.300 nan 0.000 0.516 57 D N 1.042 120.945 120.400 -0.829 0.000 2.103 57 D HA -0.019 4.621 4.640 0.001 0.000 0.199 57 D C 0.537 176.895 176.300 0.097 0.000 0.978 57 D CA 1.543 55.378 54.000 -0.276 0.000 0.829 57 D CB -0.595 40.009 40.800 -0.326 0.000 0.981 57 D HN 0.486 nan 8.370 nan 0.000 0.464 58 F N -2.272 117.582 119.950 -0.161 0.000 2.944 58 F HA 0.543 5.071 4.527 0.001 0.000 0.324 58 F C -2.090 173.619 175.800 -0.151 0.000 1.151 58 F CA -1.594 56.315 58.000 -0.152 0.000 0.883 58 F CB 0.954 39.808 39.000 -0.243 0.000 1.341 58 F HN -0.240 nan 8.300 nan 0.000 0.456 59 I N 1.857 122.530 120.570 0.171 0.000 2.576 59 I HA 0.488 4.658 4.170 0.001 0.000 0.279 59 I C 0.177 176.408 176.117 0.190 0.000 1.114 59 I CA -0.656 60.687 61.300 0.071 0.000 1.076 59 I CB 1.470 39.377 38.000 -0.155 0.000 1.212 59 I HN 1.060 nan 8.210 nan 0.000 0.472 60 G N 3.753 112.715 108.800 0.270 0.000 2.572 60 G HA2 0.394 4.355 3.960 0.001 0.000 0.261 60 G HA3 0.394 4.355 3.960 0.001 0.000 0.261 60 G C 0.617 175.565 174.900 0.079 0.000 1.197 60 G CA -0.318 44.858 45.100 0.127 0.000 0.870 60 G HN 0.422 nan 8.290 nan 0.000 0.548 61 L N 0.323 121.571 121.223 0.041 0.000 2.049 61 L HA 0.091 4.432 4.340 0.001 0.000 0.203 61 L C 1.679 178.567 176.870 0.029 0.000 1.074 61 L CA 1.121 55.982 54.840 0.035 0.000 0.749 61 L CB -0.728 41.343 42.059 0.018 0.000 0.907 61 L HN 0.649 nan 8.230 nan 0.000 0.439 62 N N -0.985 117.723 118.700 0.015 0.000 2.530 62 N HA 0.104 4.844 4.740 0.001 0.000 0.283 62 N C 0.470 175.993 175.510 0.021 0.000 1.238 62 N CA -0.659 52.397 53.050 0.010 0.000 0.971 62 N CB 1.018 39.501 38.487 -0.006 0.000 1.195 62 N HN -0.125 nan 8.380 nan 0.000 0.583 63 K N 0.620 121.028 120.400 0.012 0.000 2.334 63 K HA 0.082 4.403 4.320 0.001 0.000 0.195 63 K C 0.879 177.480 176.600 0.001 0.000 1.045 63 K CA 0.499 56.796 56.287 0.018 0.000 1.004 63 K CB -0.410 32.091 32.500 0.002 0.000 0.837 63 K HN 0.534 nan 8.250 nan 0.000 0.510 64 N N 1.140 119.830 118.700 -0.016 0.000 2.609 64 N HA -0.119 4.621 4.740 0.001 0.000 0.190 64 N C 1.445 176.930 175.510 -0.041 0.000 1.157 64 N CA 0.410 53.442 53.050 -0.030 0.000 0.918 64 N CB 0.239 38.706 38.487 -0.032 0.000 0.978 64 N HN 0.338 nan 8.380 nan 0.000 0.448 65 E N 0.678 120.856 120.200 -0.036 0.000 2.206 65 E HA 0.036 4.386 4.350 0.001 0.000 0.195 65 E C 0.494 177.055 176.600 -0.064 0.000 0.935 65 E CA 0.181 56.530 56.400 -0.085 0.000 0.875 65 E CB 0.394 30.046 29.700 -0.081 0.000 0.841 65 E HN 0.230 nan 8.360 nan 0.000 0.477 66 Q N 0.533 120.384 119.800 0.085 0.000 2.642 66 Q HA 0.196 4.537 4.340 0.001 0.000 0.319 66 Q C 0.689 176.834 176.000 0.242 0.000 1.030 66 Q CA 0.122 56.107 55.803 0.304 0.000 0.943 66 Q CB 0.467 29.400 28.738 0.325 0.000 1.323 66 Q HN 0.358 nan 8.270 nan 0.000 0.419 67 I N -2.260 118.384 120.570 0.122 0.000 5.306 67 I HA -0.062 4.109 4.170 0.001 0.000 0.380 67 I C 0.640 176.771 176.117 0.023 0.000 1.103 67 I CA 0.252 61.594 61.300 0.071 0.000 1.600 67 I CB 0.926 38.925 38.000 -0.001 0.000 2.138 67 I HN 0.072 nan 8.210 nan 0.000 0.707 68 D N 0.914 121.298 120.400 -0.027 0.000 2.240 68 D HA 0.139 4.779 4.640 0.001 0.000 0.206 68 D C 1.830 178.064 176.300 -0.110 0.000 0.963 68 D CA 0.981 54.940 54.000 -0.069 0.000 0.863 68 D CB 0.479 41.220 40.800 -0.098 0.000 0.973 68 D HN 0.332 nan 8.370 nan 0.000 0.501 69 L N 0.724 121.830 121.223 -0.196 0.000 2.592 69 L HA 0.258 4.598 4.340 0.001 0.000 0.227 69 L C 0.956 177.817 176.870 -0.015 0.000 1.127 69 L CA -0.338 54.295 54.840 -0.344 0.000 0.884 69 L CB -0.024 41.361 42.059 -1.123 0.000 1.065 69 L HN -0.126 nan 8.230 nan 0.000 0.457 70 A N 0.909 123.829 122.820 0.166 0.000 2.548 70 A HA 0.240 4.560 4.320 0.001 0.000 0.247 70 A C 0.373 178.081 177.584 0.207 0.000 1.067 70 A CA 0.283 52.490 52.037 0.282 0.000 0.757 70 A CB 0.089 19.227 19.000 0.231 0.000 0.996 70 A HN 0.216 nan 8.150 nan 0.000 0.504 71 M N 1.988 121.739 119.600 0.252 0.000 2.310 71 M HA 0.479 4.959 4.480 0.001 0.000 0.241 71 M C 1.318 177.768 176.300 0.250 0.000 1.162 71 M CA 0.448 55.874 55.300 0.211 0.000 0.958 71 M CB 0.881 33.615 32.600 0.224 0.000 1.348 71 M HN 0.706 nan 8.290 nan 0.000 0.541 72 A N -1.210 121.734 122.820 0.206 0.000 2.431 72 A HA 0.290 4.611 4.320 0.001 0.000 0.239 72 A C 1.005 178.668 177.584 0.131 0.000 1.230 72 A CA 0.468 52.639 52.037 0.223 0.000 0.928 72 A CB -0.163 18.936 19.000 0.166 0.000 1.006 72 A HN 0.941 nan 8.150 nan 0.000 0.520 73 T N -0.602 113.977 114.554 0.041 0.000 11.087 73 T HA -0.152 4.199 4.350 0.001 0.000 0.385 73 T C 0.269 174.977 174.700 0.012 0.000 1.679 73 T CA 1.868 63.929 62.100 -0.064 0.000 2.690 73 T CB -1.218 67.497 68.868 -0.255 0.000 2.619 73 T HN 0.578 nan 8.240 nan 0.000 0.900 74 D N 1.435 121.865 120.400 0.050 0.000 2.980 74 D HA 0.390 5.031 4.640 0.001 0.000 0.333 74 D C 0.751 177.092 176.300 0.069 0.000 1.356 74 D CA 0.181 54.211 54.000 0.051 0.000 0.847 74 D CB -0.057 40.770 40.800 0.045 0.000 1.122 74 D HN 0.747 nan 8.370 nan 0.000 0.475 75 C N -0.944 118.411 119.300 0.092 0.000 2.484 75 C HA 0.493 4.954 4.460 0.001 0.000 0.409 75 C C 2.080 177.127 174.990 0.094 0.000 1.434 75 C CA -0.588 58.489 59.018 0.098 0.000 1.913 75 C CB 1.153 28.969 27.740 0.126 0.000 2.028 75 C HN 0.135 nan 8.230 nan 0.000 0.516 76 E N -0.246 120.008 120.200 0.089 0.000 2.204 76 E HA -0.131 4.220 4.350 0.001 0.000 0.194 76 E C 1.518 178.175 176.600 0.095 0.000 0.989 76 E CA 1.318 57.758 56.400 0.068 0.000 0.824 76 E CB -0.616 29.112 29.700 0.047 0.000 0.756 76 E HN 0.765 nan 8.360 nan 0.000 0.477 77 Y N 1.075 121.378 120.300 0.004 0.000 2.153 77 Y HA -0.031 4.519 4.550 0.001 0.000 0.289 77 Y C 2.048 178.015 175.900 0.111 0.000 1.127 77 Y CA 1.354 59.458 58.100 0.005 0.000 1.131 77 Y CB -0.156 38.337 38.460 0.055 0.000 0.995 77 Y HN -0.065 nan 8.280 nan 0.000 0.505 78 M N 0.185 119.888 119.600 0.172 0.000 2.149 78 M HA -0.214 4.267 4.480 0.001 0.000 0.261 78 M C 1.974 178.346 176.300 0.120 0.000 1.064 78 M CA 1.489 56.883 55.300 0.156 0.000 1.102 78 M CB -0.996 31.681 32.600 0.130 0.000 1.369 78 M HN 0.282 nan 8.290 nan 0.000 0.408 79 E N 0.577 120.811 120.200 0.057 0.000 2.160 79 E HA -0.166 4.185 4.350 0.001 0.000 0.195 79 E C 1.915 178.509 176.600 -0.009 0.000 0.991 79 E CA 0.932 57.346 56.400 0.024 0.000 0.810 79 E CB -0.133 29.572 29.700 0.007 0.000 0.742 79 E HN 0.454 nan 8.360 nan 0.000 0.466 80 K N -0.268 120.068 120.400 -0.107 0.000 2.103 80 K HA -0.171 4.150 4.320 0.001 0.000 0.207 80 K C 2.194 178.743 176.600 -0.085 0.000 1.048 80 K CA 1.046 57.190 56.287 -0.238 0.000 0.930 80 K CB -0.387 31.631 32.500 -0.804 0.000 0.716 80 K HN 0.282 nan 8.250 nan 0.000 0.444 81 Y N 1.168 121.472 120.300 0.006 0.000 2.153 81 Y HA -0.085 4.466 4.550 0.001 0.000 0.289 81 Y C 2.635 178.552 175.900 0.029 0.000 1.127 81 Y CA 1.186 59.334 58.100 0.081 0.000 1.131 81 Y CB -0.209 38.280 38.460 0.049 0.000 0.995 81 Y HN -0.010 nan 8.280 nan 0.000 0.505 82 R N -0.062 120.529 120.500 0.152 0.000 2.117 82 R HA -0.190 4.150 4.340 0.001 0.000 0.243 82 R C 2.072 178.389 176.300 0.029 0.000 1.143 82 R CA 1.509 57.641 56.100 0.054 0.000 0.968 82 R CB -0.251 30.062 30.300 0.022 0.000 0.863 82 R HN 0.264 nan 8.270 nan 0.000 0.444 83 E N 0.839 121.056 120.200 0.028 0.000 2.110 83 E HA -0.132 4.218 4.350 0.001 0.000 0.193 83 E C 1.990 178.597 176.600 0.013 0.000 0.988 83 E CA 0.991 57.396 56.400 0.008 0.000 0.804 83 E CB -0.006 29.694 29.700 -0.001 0.000 0.745 83 E HN 0.348 nan 8.360 nan 0.000 0.458 84 L N -0.079 121.174 121.223 0.051 0.000 2.072 84 L HA -0.118 4.222 4.340 0.001 0.000 0.205 84 L C 2.491 179.423 176.870 0.103 0.000 1.079 84 L CA 0.959 55.852 54.840 0.089 0.000 0.752 84 L CB -0.374 41.755 42.059 0.116 0.000 0.906 84 L HN 0.059 nan 8.230 nan 0.000 0.436 85 A N 0.268 123.137 122.820 0.081 0.000 1.908 85 A HA -0.238 4.083 4.320 0.001 0.000 0.218 85 A C 2.328 179.937 177.584 0.041 0.000 1.181 85 A CA 1.670 53.746 52.037 0.064 0.000 0.627 85 A CB -0.451 18.552 19.000 0.005 0.000 0.818 85 A HN 0.340 nan 8.150 nan 0.000 0.445 86 R N -0.591 119.911 120.500 0.004 0.000 2.062 86 R HA -0.108 4.233 4.340 0.001 0.000 0.231 86 R C 2.401 178.682 176.300 -0.033 0.000 1.136 86 R CA 1.603 57.696 56.100 -0.013 0.000 0.948 86 R CB -0.371 29.914 30.300 -0.025 0.000 0.845 86 R HN 0.579 nan 8.270 nan 0.000 0.430 87 K N 0.067 120.414 120.400 -0.088 0.000 2.113 87 K HA -0.187 4.134 4.320 0.001 0.000 0.208 87 K C 1.044 177.440 176.600 -0.339 0.000 1.047 87 K CA 1.516 57.663 56.287 -0.235 0.000 0.928 87 K CB 0.057 32.352 32.500 -0.342 0.000 0.716 87 K HN 0.352 nan 8.250 nan 0.000 0.446 88 H N -0.664 118.427 119.070 0.036 0.000 2.542 88 H HA 0.058 4.615 4.556 0.001 0.000 0.283 88 H C -0.203 175.163 175.328 0.063 0.000 1.059 88 H CA 0.091 56.167 56.048 0.048 0.000 1.162 88 H CB 0.042 29.833 29.762 0.048 0.000 1.539 88 H HN 0.296 nan 8.280 nan 0.000 0.543 89 N N 1.337 120.112 118.700 0.126 0.000 2.686 89 N HA -0.218 4.522 4.740 0.001 0.000 0.261 89 N C -0.974 174.641 175.510 0.175 0.000 1.001 89 N CA 0.335 53.461 53.050 0.127 0.000 0.764 89 N CB -1.304 37.248 38.487 0.109 0.000 0.898 89 N HN 0.573 nan 8.380 nan 0.000 0.544 90 I N 0.491 121.172 120.570 0.185 0.000 2.644 90 I HA 0.402 4.573 4.170 0.001 0.000 0.291 90 I C -0.538 175.719 176.117 0.233 0.000 1.180 90 I CA -0.992 60.438 61.300 0.217 0.000 1.040 90 I CB 0.641 38.741 38.000 0.168 0.000 1.255 90 I HN 0.114 nan 8.210 nan 0.000 0.422 91 W N 7.007 128.284 121.300 -0.037 0.000 2.137 91 W HA 0.462 5.123 4.660 0.001 0.000 0.344 91 W C -0.673 175.758 176.519 -0.146 0.000 1.286 91 W CA 0.083 57.375 57.345 -0.088 0.000 1.240 91 W CB 0.411 29.803 29.460 -0.114 0.000 1.141 91 W HN 0.206 nan 8.180 nan 0.000 0.579 92 L N 2.358 123.586 121.223 0.008 0.000 2.381 92 L HA 0.399 4.740 4.340 0.001 0.000 0.268 92 L C -0.081 176.672 176.870 -0.195 0.000 0.997 92 L CA -1.039 53.731 54.840 -0.116 0.000 0.818 92 L CB 1.937 43.949 42.059 -0.077 0.000 1.310 92 L HN 0.289 nan 8.230 nan 0.000 0.416 93 S N 3.542 119.057 115.700 -0.307 0.000 2.577 93 S HA 0.483 4.954 4.470 0.001 0.000 0.294 93 S C -0.482 173.989 174.600 -0.215 0.000 1.161 93 S CA -0.631 57.452 58.200 -0.196 0.000 1.143 93 S CB 0.071 63.094 63.200 -0.295 0.000 0.991 93 S HN 0.491 nan 8.310 nan 0.000 0.475 94 L N 5.043 126.106 121.223 -0.267 0.000 2.401 94 L HA 0.292 4.633 4.340 0.001 0.000 0.283 94 L C 1.956 178.649 176.870 -0.295 0.000 1.151 94 L CA -0.472 53.966 54.840 -0.670 0.000 0.942 94 L CB -0.183 41.401 42.059 -0.790 0.000 1.283 94 L HN 0.883 nan 8.230 nan 0.000 0.442 95 G N 2.661 111.274 108.800 -0.312 0.000 2.606 95 G HA2 -0.187 3.774 3.960 0.001 0.000 0.223 95 G HA3 -0.187 3.774 3.960 0.001 0.000 0.223 95 G C 0.840 175.729 174.900 -0.017 0.000 1.106 95 G CA 0.886 45.829 45.100 -0.261 0.000 0.745 95 G HN 0.790 nan 8.290 nan 0.000 0.597 96 G N -1.095 107.868 108.800 0.272 0.000 3.714 96 G HA2 0.413 4.374 3.960 0.001 0.000 0.259 96 G HA3 0.413 4.374 3.960 0.001 0.000 0.259 96 G C -0.731 174.309 174.900 0.232 0.000 3.894 96 G CA -0.424 44.825 45.100 0.247 0.000 0.498 96 G HN 0.527 nan 8.290 nan 0.000 0.258 97 L N 0.931 122.342 121.223 0.314 0.000 2.439 97 L HA 0.605 4.945 4.340 0.001 0.000 0.269 97 L C 0.063 176.982 176.870 0.082 0.000 1.179 97 L CA -0.535 54.388 54.840 0.139 0.000 0.828 97 L CB 0.200 42.398 42.059 0.231 0.000 1.106 97 L HN 0.452 nan 8.230 nan 0.000 0.467 98 H N 3.727 122.752 119.070 -0.075 0.000 3.109 98 H HA 0.186 4.743 4.556 0.001 0.000 0.266 98 H C -0.690 174.762 175.328 0.206 0.000 1.334 98 H CA 0.367 56.423 56.048 0.013 0.000 1.456 98 H CB -0.580 29.124 29.762 -0.097 0.000 1.587 98 H HN 0.587 nan 8.280 nan 0.000 0.500 99 H N 3.381 122.592 119.070 0.235 0.000 3.004 99 H HA 0.077 4.634 4.556 0.001 0.000 0.267 99 H C 0.256 175.768 175.328 0.305 0.000 1.165 99 H CA -0.732 55.504 56.048 0.314 0.000 1.450 99 H CB 0.309 30.316 29.762 0.409 0.000 1.488 99 H HN 0.492 nan 8.280 nan 0.000 0.478 100 K N 4.187 124.835 120.400 0.412 0.000 2.401 100 K HA -0.057 4.264 4.320 0.001 0.000 0.278 100 K C -0.681 175.962 176.600 0.072 0.000 1.018 100 K CA -0.254 56.140 56.287 0.178 0.000 0.981 100 K CB 0.537 33.137 32.500 0.168 0.000 0.933 100 K HN 0.573 nan 8.250 nan 0.000 0.477 101 D N 5.590 125.890 120.400 -0.167 0.000 2.392 101 D HA 0.248 4.888 4.640 0.001 0.000 0.228 101 D C -1.954 174.284 176.300 -0.103 0.000 1.074 101 D CA -2.558 51.278 54.000 -0.273 0.000 0.838 101 D CB 1.787 42.081 40.800 -0.844 0.000 1.067 101 D HN 0.273 nan 8.370 nan 0.000 0.511 102 P HA -0.234 nan 4.420 nan 0.000 0.218 102 P C 1.261 178.555 177.300 -0.010 0.000 1.154 102 P CA 1.765 64.877 63.100 0.020 0.000 0.872 102 P CB 0.223 31.957 31.700 0.057 0.000 0.790 103 S N -1.952 113.733 115.700 -0.025 0.000 2.345 103 S HA -0.093 4.377 4.470 0.001 0.000 0.219 103 S C 1.167 175.732 174.600 -0.059 0.000 1.031 103 S CA 1.055 59.235 58.200 -0.033 0.000 0.984 103 S CB -0.942 62.245 63.200 -0.023 0.000 0.874 103 S HN 0.025 nan 8.310 nan 0.000 0.451 104 D N 1.260 121.591 120.400 -0.115 0.000 2.540 104 D HA 0.635 5.275 4.640 0.001 0.000 0.251 104 D C 0.803 177.049 176.300 -0.091 0.000 1.159 104 D CA -0.062 53.879 54.000 -0.099 0.000 0.974 104 D CB 0.720 41.427 40.800 -0.156 0.000 0.996 104 D HN 0.311 nan 8.370 nan 0.000 0.512 105 A N 2.448 125.237 122.820 -0.052 0.000 2.125 105 A HA 0.026 4.346 4.320 0.001 0.000 0.219 105 A C 1.955 179.512 177.584 -0.046 0.000 1.156 105 A CA 1.343 53.352 52.037 -0.047 0.000 0.671 105 A CB -0.125 18.858 19.000 -0.027 0.000 0.794 105 A HN 0.508 nan 8.150 nan 0.000 0.459 106 A N -1.343 121.471 122.820 -0.009 0.000 2.208 106 A HA 0.214 4.534 4.320 0.001 0.000 0.209 106 A C 0.272 177.643 177.584 -0.356 0.000 1.161 106 A CA 0.470 52.447 52.037 -0.099 0.000 0.782 106 A CB -0.285 18.711 19.000 -0.007 0.000 0.816 106 A HN 0.562 nan 8.150 nan 0.000 0.477 107 H N -1.165 117.812 119.070 -0.155 0.000 2.852 107 H HA 0.357 4.914 4.556 0.001 0.000 0.274 107 H C -3.028 172.108 175.328 -0.320 0.000 1.321 107 H CA -1.696 54.233 56.048 -0.198 0.000 1.582 107 H CB 0.648 30.281 29.762 -0.215 0.000 1.699 107 H HN 0.135 nan 8.280 nan 0.000 0.546 108 P HA 0.010 nan 4.420 nan 0.000 0.275 108 P C -0.085 177.113 177.300 -0.170 0.000 1.270 108 P CA -0.371 62.640 63.100 -0.149 0.000 0.791 108 P CB 1.053 32.784 31.700 0.051 0.000 1.089 109 W N -0.343 120.970 121.300 0.021 0.000 2.576 109 W HA 0.299 4.959 4.660 0.001 0.000 0.360 109 W C 0.281 176.816 176.519 0.027 0.000 1.109 109 W CA 0.182 57.533 57.345 0.009 0.000 1.237 109 W CB 0.772 30.227 29.460 -0.008 0.000 1.369 109 W HN 0.194 nan 8.180 nan 0.000 0.609 110 N N 1.332 120.193 118.700 0.268 0.000 2.609 110 N HA 0.183 4.923 4.740 0.001 0.000 0.234 110 N C -1.170 174.439 175.510 0.165 0.000 1.001 110 N CA 0.227 53.353 53.050 0.127 0.000 0.926 110 N CB 0.721 39.256 38.487 0.081 0.000 1.130 110 N HN 0.097 nan 8.380 nan 0.000 0.510 111 T N 2.419 117.099 114.554 0.209 0.000 2.758 111 T HA 0.145 4.495 4.350 0.001 0.000 0.285 111 T C -0.306 174.548 174.700 0.257 0.000 0.981 111 T CA -0.359 61.856 62.100 0.191 0.000 0.965 111 T CB 0.587 69.561 68.868 0.176 0.000 0.927 111 T HN 0.388 nan 8.240 nan 0.000 0.448 112 H N 4.006 123.181 119.070 0.176 0.000 2.594 112 H HA 0.503 5.060 4.556 0.001 0.000 0.304 112 H C -1.096 174.295 175.328 0.105 0.000 1.068 112 H CA -1.071 55.089 56.048 0.187 0.000 1.308 112 H CB 0.293 30.235 29.762 0.300 0.000 1.409 112 H HN 0.269 nan 8.280 nan 0.000 0.460 113 L N 5.857 127.243 121.223 0.271 0.000 2.334 113 L HA 0.314 4.654 4.340 0.001 0.000 0.276 113 L C -0.680 176.202 176.870 0.020 0.000 1.014 113 L CA -0.670 54.209 54.840 0.065 0.000 0.815 113 L CB 1.518 43.575 42.059 -0.003 0.000 1.268 113 L HN 0.602 nan 8.230 nan 0.000 0.428 114 I N 3.527 124.059 120.570 -0.063 0.000 2.389 114 I HA 0.455 4.626 4.170 0.001 0.000 0.288 114 I C -0.481 175.536 176.117 -0.167 0.000 0.999 114 I CA -0.183 61.071 61.300 -0.077 0.000 1.129 114 I CB 1.395 39.380 38.000 -0.025 0.000 1.288 114 I HN 0.308 nan 8.210 nan 0.000 0.444 115 I N 5.358 125.798 120.570 -0.217 0.000 2.562 115 I HA 0.359 4.529 4.170 0.001 0.000 0.301 115 I C 0.444 176.186 176.117 -0.625 0.000 1.003 115 I CA -0.509 60.597 61.300 -0.323 0.000 1.127 115 I CB 1.075 38.961 38.000 -0.189 0.000 1.304 115 I HN 0.423 nan 8.210 nan 0.000 0.446 116 D N 1.502 121.473 120.400 -0.714 0.000 2.372 116 D HA 0.120 4.760 4.640 0.001 0.000 0.243 116 D C 0.794 176.737 176.300 -0.596 0.000 1.297 116 D CA 0.298 53.724 54.000 -0.955 0.000 0.958 116 D CB 0.691 41.175 40.800 -0.526 0.000 1.114 116 D HN 0.466 nan 8.370 nan 0.000 0.496 117 S N -0.259 115.201 115.700 -0.400 0.000 2.593 117 S HA -0.003 4.468 4.470 0.001 0.000 0.217 117 S C 0.563 175.122 174.600 -0.068 0.000 0.966 117 S CA 0.036 58.197 58.200 -0.064 0.000 0.914 117 S CB 0.194 63.471 63.200 0.128 0.000 0.776 117 S HN 0.373 nan 8.310 nan 0.000 0.523 118 D N 0.623 120.942 120.400 -0.135 0.000 2.389 118 D HA 0.218 4.859 4.640 0.001 0.000 0.206 118 D C 1.473 177.714 176.300 -0.098 0.000 1.055 118 D CA 0.685 54.630 54.000 -0.092 0.000 0.856 118 D CB 0.503 41.249 40.800 -0.090 0.000 0.957 118 D HN 0.460 nan 8.370 nan 0.000 0.509 119 G N 0.937 109.652 108.800 -0.142 0.000 2.144 119 G HA2 -0.253 3.708 3.960 0.001 0.000 0.218 119 G HA3 -0.253 3.708 3.960 0.001 0.000 0.218 119 G C 0.273 175.095 174.900 -0.131 0.000 0.988 119 G CA 0.015 45.049 45.100 -0.109 0.000 0.659 119 G HN 0.240 nan 8.290 nan 0.000 0.522 120 V N 2.080 121.883 119.914 -0.185 0.000 2.432 120 V HA 0.425 4.545 4.120 0.001 0.000 0.271 120 V C 1.158 177.120 176.094 -0.220 0.000 1.046 120 V CA 0.238 62.434 62.300 -0.173 0.000 0.945 120 V CB 1.275 33.001 31.823 -0.162 0.000 0.992 120 V HN 0.323 nan 8.190 nan 0.000 0.471 121 T N 7.082 121.544 114.554 -0.153 0.000 2.867 121 T HA 0.107 4.457 4.350 0.001 0.000 0.297 121 T C 1.154 175.759 174.700 -0.158 0.000 0.989 121 T CA -0.149 61.861 62.100 -0.150 0.000 1.159 121 T CB 0.296 69.107 68.868 -0.096 0.000 0.928 121 T HN 0.529 nan 8.240 nan 0.000 0.538 122 R N 1.323 121.709 120.500 -0.191 0.000 2.308 122 R HA 0.507 4.847 4.340 0.001 0.000 0.202 122 R C 0.372 176.633 176.300 -0.066 0.000 0.898 122 R CA 0.025 56.040 56.100 -0.141 0.000 1.046 122 R CB 0.266 30.450 30.300 -0.194 0.000 1.026 122 R HN 0.699 nan 8.270 nan 0.000 0.512 123 A N 0.589 123.367 122.820 -0.070 0.000 2.590 123 A HA 0.533 4.853 4.320 0.001 0.000 0.296 123 A C -1.624 175.934 177.584 -0.044 0.000 1.050 123 A CA -0.689 51.322 52.037 -0.043 0.000 0.697 123 A CB 1.334 20.312 19.000 -0.035 0.000 1.277 123 A HN 0.052 nan 8.150 nan 0.000 0.411 124 E N 0.077 120.267 120.200 -0.017 0.000 2.275 124 E HA 0.503 4.854 4.350 0.001 0.000 0.270 124 E C -2.091 174.545 176.600 0.060 0.000 0.882 124 E CA -0.494 55.906 56.400 0.001 0.000 0.758 124 E CB 2.536 32.214 29.700 -0.036 0.000 1.195 124 E HN 0.637 nan 8.360 nan 0.000 0.419 125 Y N 2.430 122.712 120.300 -0.030 0.000 2.391 125 Y HA 0.403 4.953 4.550 0.001 0.000 0.341 125 Y C -1.360 174.571 175.900 0.051 0.000 0.965 125 Y CA -0.725 57.378 58.100 0.004 0.000 1.067 125 Y CB 1.339 39.803 38.460 0.006 0.000 1.199 125 Y HN 0.446 nan 8.280 nan 0.000 0.450 126 N N 5.726 123.932 118.700 -0.823 0.000 2.424 126 N HA 0.208 4.948 4.740 0.001 0.000 0.271 126 N C -1.344 173.646 175.510 -0.868 0.000 0.985 126 N CA -0.985 51.699 53.050 -0.611 0.000 0.921 126 N CB 1.243 39.482 38.487 -0.413 0.000 1.149 126 N HN 0.534 nan 8.380 nan 0.000 0.492 127 K N 2.877 123.026 120.400 -0.419 0.000 2.438 127 K HA -0.117 4.203 4.320 0.001 0.000 0.270 127 K C 0.703 177.258 176.600 -0.075 0.000 1.095 127 K CA 0.338 56.577 56.287 -0.081 0.000 1.174 127 K CB 0.350 32.935 32.500 0.142 0.000 0.830 127 K HN 0.590 nan 8.250 nan 0.000 0.487 128 L N 3.335 124.575 121.223 0.028 0.000 2.249 128 L HA -0.003 4.338 4.340 0.001 0.000 0.207 128 L C 0.249 176.932 176.870 -0.311 0.000 1.090 128 L CA 0.445 55.201 54.840 -0.140 0.000 0.802 128 L CB -0.131 41.837 42.059 -0.152 0.000 0.947 128 L HN 0.648 nan 8.230 nan 0.000 0.453 129 H N -0.170 118.952 119.070 0.086 0.000 2.511 129 H HA 0.550 5.106 4.556 0.001 0.000 0.328 129 H C -0.848 174.700 175.328 0.365 0.000 1.044 129 H CA -0.544 55.562 56.048 0.097 0.000 1.212 129 H CB 1.410 31.059 29.762 -0.189 0.000 1.428 129 H HN -0.165 nan 8.280 nan 0.000 0.483 130 L N 2.353 123.795 121.223 0.366 0.000 2.333 130 L HA 0.342 4.683 4.340 0.001 0.000 0.269 130 L C -0.586 176.391 176.870 0.178 0.000 1.010 130 L CA -0.729 54.260 54.840 0.248 0.000 0.818 130 L CB 0.937 43.070 42.059 0.123 0.000 1.306 130 L HN 0.502 nan 8.230 nan 0.000 0.430 131 F N 1.537 121.364 119.950 -0.205 0.000 2.404 131 F HA 0.457 4.985 4.527 0.001 0.000 0.358 131 F C -0.565 175.169 175.800 -0.109 0.000 1.120 131 F CA -0.250 57.557 58.000 -0.321 0.000 1.144 131 F CB 0.498 39.181 39.000 -0.529 0.000 1.133 131 F HN 0.398 nan 8.300 nan 0.000 0.495 132 D N 6.618 126.635 120.400 -0.638 0.000 2.473 132 D HA 0.308 4.949 4.640 0.001 0.000 0.253 132 D C -1.204 174.746 176.300 -0.583 0.000 1.233 132 D CA -0.060 53.675 54.000 -0.441 0.000 0.908 132 D CB 1.670 42.359 40.800 -0.185 0.000 1.170 132 D HN 0.494 nan 8.370 nan 0.000 0.558 133 L N 2.050 122.953 121.223 -0.533 0.000 2.325 133 L HA 0.525 4.865 4.340 0.001 0.000 0.281 133 L C -0.816 175.977 176.870 -0.129 0.000 1.004 133 L CA -0.460 54.179 54.840 -0.335 0.000 0.823 133 L CB 1.523 43.446 42.059 -0.227 0.000 1.236 133 L HN 0.302 nan 8.230 nan 0.000 0.415 134 E N 6.041 126.189 120.200 -0.088 0.000 2.761 134 E HA 0.321 4.672 4.350 0.001 0.000 0.266 134 E C -1.365 175.220 176.600 -0.025 0.000 1.097 134 E CA -0.360 56.014 56.400 -0.043 0.000 0.773 134 E CB 1.057 30.732 29.700 -0.043 0.000 1.453 134 E HN 0.562 nan 8.360 nan 0.000 0.388 135 I N 6.116 126.680 120.570 -0.010 0.000 2.297 135 I HA 0.226 4.396 4.170 0.001 0.000 0.291 135 I C -1.317 174.801 176.117 0.001 0.000 1.033 135 I CA -2.054 59.245 61.300 -0.001 0.000 1.253 135 I CB 0.863 38.869 38.000 0.009 0.000 1.396 135 I HN 0.418 nan 8.210 nan 0.000 0.476 136 P HA -0.267 nan 4.420 nan 0.000 0.239 136 P C 0.743 178.045 177.300 0.002 0.000 0.760 136 P CA 1.629 64.729 63.100 -0.000 0.000 1.081 136 P CB -0.165 31.535 31.700 0.000 0.000 0.756 137 G N -1.074 107.728 108.800 0.004 0.000 4.662 137 G HA2 0.418 4.379 3.960 0.001 0.000 0.328 137 G HA3 0.418 4.379 3.960 0.001 0.000 0.328 137 G C 0.500 175.405 174.900 0.008 0.000 1.451 137 G CA -0.290 44.813 45.100 0.005 0.000 1.154 137 G HN 0.326 nan 8.290 nan 0.000 0.547 138 K N -0.476 119.930 120.400 0.010 0.000 3.003 138 K HA 0.338 4.659 4.320 0.001 0.000 0.213 138 K C -0.486 176.125 176.600 0.017 0.000 1.785 138 K CA -0.049 56.246 56.287 0.013 0.000 1.275 138 K CB 1.456 33.965 32.500 0.015 0.000 2.112 138 K HN 0.150 nan 8.250 nan 0.000 0.542 139 V N 1.321 121.246 119.914 0.019 0.000 3.098 139 V HA 0.346 4.467 4.120 0.001 0.000 0.294 139 V C -1.827 174.280 176.094 0.022 0.000 1.351 139 V CA -0.837 61.479 62.300 0.026 0.000 0.999 139 V CB 2.504 34.351 31.823 0.039 0.000 1.104 139 V HN 0.259 nan 8.190 nan 0.000 0.438 140 R N 3.533 124.046 120.500 0.023 0.000 2.521 140 R HA 0.579 4.920 4.340 0.001 0.000 0.295 140 R C -2.272 174.044 176.300 0.026 0.000 1.183 140 R CA -0.581 55.527 56.100 0.013 0.000 0.957 140 R CB 1.359 31.662 30.300 0.004 0.000 1.171 140 R HN 0.525 nan 8.270 nan 0.000 0.494 141 L N 5.729 126.977 121.223 0.040 0.000 2.353 141 L HA 0.471 4.812 4.340 0.001 0.000 0.270 141 L C -1.090 175.805 176.870 0.042 0.000 1.003 141 L CA -0.262 54.626 54.840 0.079 0.000 0.862 141 L CB 1.548 43.718 42.059 0.185 0.000 1.221 141 L HN 0.548 nan 8.230 nan 0.000 0.430 142 M N 3.500 123.111 119.600 0.019 0.000 2.047 142 M HA 0.256 4.736 4.480 0.001 0.000 0.342 142 M C 1.028 177.339 176.300 0.020 0.000 1.058 142 M CA -0.050 55.246 55.300 -0.006 0.000 0.991 142 M CB 1.180 33.773 32.600 -0.012 0.000 1.474 142 M HN 0.637 nan 8.290 nan 0.000 0.419 143 E N 2.160 122.381 120.200 0.035 0.000 2.204 143 E HA -0.126 4.224 4.350 0.001 0.000 0.194 143 E C 1.381 178.001 176.600 0.033 0.000 0.989 143 E CA 1.462 57.888 56.400 0.044 0.000 0.824 143 E CB 0.465 30.205 29.700 0.067 0.000 0.756 143 E HN 0.701 nan 8.360 nan 0.000 0.477 144 S N -0.574 115.147 115.700 0.034 0.000 2.603 144 S HA -0.046 4.424 4.470 0.001 0.000 0.229 144 S C 1.476 176.133 174.600 0.095 0.000 0.972 144 S CA 0.589 58.826 58.200 0.063 0.000 0.935 144 S CB 0.108 63.334 63.200 0.043 0.000 0.769 144 S HN 0.318 nan 8.310 nan 0.000 0.536 145 E N -0.627 119.588 120.200 0.025 0.000 2.340 145 E HA 0.181 4.532 4.350 0.001 0.000 0.198 145 E C 1.668 178.177 176.600 -0.153 0.000 0.961 145 E CA 0.749 57.127 56.400 -0.037 0.000 0.905 145 E CB 0.078 29.764 29.700 -0.023 0.000 0.884 145 E HN 0.748 nan 8.360 nan 0.000 0.491 146 F N 0.781 120.682 119.950 -0.082 0.000 2.656 146 F HA 0.241 4.769 4.527 0.001 0.000 0.291 146 F C 1.387 177.136 175.800 -0.085 0.000 1.122 146 F CA 0.525 58.476 58.000 -0.082 0.000 1.427 146 F CB 0.230 39.221 39.000 -0.016 0.000 1.125 146 F HN 0.096 nan 8.300 nan 0.000 0.583 147 S N -1.390 114.284 115.700 -0.043 0.000 2.819 147 S HA 0.575 5.046 4.470 0.001 0.000 0.299 147 S C -1.186 173.454 174.600 0.066 0.000 1.192 147 S CA -0.547 57.647 58.200 -0.010 0.000 0.847 147 S CB 2.058 65.253 63.200 -0.009 0.000 1.224 147 S HN 0.511 nan 8.310 nan 0.000 0.537 148 K N 0.118 120.527 120.400 0.014 0.000 2.482 148 K HA 0.687 5.007 4.320 0.001 0.000 0.251 148 K C -0.420 176.239 176.600 0.098 0.000 0.936 148 K CA -0.711 55.574 56.287 -0.004 0.000 0.791 148 K CB 1.952 34.321 32.500 -0.219 0.000 1.213 148 K HN 0.960 nan 8.250 nan 0.000 0.428 149 A N 2.297 125.167 122.820 0.084 0.000 2.386 149 A HA 0.459 4.780 4.320 0.001 0.000 0.246 149 A C 0.415 178.089 177.584 0.151 0.000 1.089 149 A CA 0.243 52.332 52.037 0.087 0.000 0.790 149 A CB 0.226 19.232 19.000 0.011 0.000 1.042 149 A HN 0.817 nan 8.150 nan 0.000 0.497 150 G N -1.120 107.702 108.800 0.037 0.000 2.507 150 G HA2 0.410 4.371 3.960 0.001 0.000 0.271 150 G HA3 0.410 4.371 3.960 0.001 0.000 0.271 150 G C 0.854 175.733 174.900 -0.034 0.000 1.189 150 G CA 0.439 45.517 45.100 -0.036 0.000 0.859 150 G HN 1.151 nan 8.290 nan 0.000 0.542 151 T N -2.573 111.962 114.554 -0.030 0.000 3.014 151 T HA 0.223 4.574 4.350 0.001 0.000 0.250 151 T C 0.584 175.262 174.700 -0.037 0.000 1.060 151 T CA 0.556 62.645 62.100 -0.018 0.000 1.040 151 T CB -0.103 68.777 68.868 0.020 0.000 0.971 151 T HN 0.732 nan 8.240 nan 0.000 0.497 152 E N 0.531 120.701 120.200 -0.050 0.000 2.416 152 E HA 0.536 4.886 4.350 0.001 0.000 0.273 152 E C -1.005 175.583 176.600 -0.020 0.000 0.935 152 E CA -1.335 55.045 56.400 -0.034 0.000 0.784 152 E CB 1.213 30.911 29.700 -0.005 0.000 1.301 152 E HN -0.113 nan 8.360 nan 0.000 0.454 153 M N 2.098 121.670 119.600 -0.048 0.000 2.143 153 M HA 0.267 4.747 4.480 0.001 0.000 0.348 153 M C -0.736 175.676 176.300 0.187 0.000 1.375 153 M CA -0.525 54.739 55.300 -0.060 0.000 1.124 153 M CB -0.135 32.168 32.600 -0.495 0.000 1.669 153 M HN 0.535 nan 8.290 nan 0.000 0.469 154 I N 7.271 128.044 120.570 0.339 0.000 2.365 154 I HA 0.380 4.551 4.170 0.001 0.000 0.291 154 I C -1.933 174.440 176.117 0.425 0.000 1.004 154 I CA -2.314 59.187 61.300 0.335 0.000 1.311 154 I CB 0.921 39.097 38.000 0.294 0.000 1.401 154 I HN 0.416 nan 8.210 nan 0.000 0.491 155 P HA 0.365 nan 4.420 nan 0.000 0.278 155 P C -2.631 174.616 177.300 -0.089 0.000 1.258 155 P CA -1.597 61.488 63.100 -0.025 0.000 0.811 155 P CB -0.149 31.528 31.700 -0.039 0.000 1.063 156 P HA -0.014 nan 4.420 nan 0.000 0.268 156 P C -0.736 176.506 177.300 -0.096 0.000 1.208 156 P CA 0.347 63.356 63.100 -0.152 0.000 0.777 156 P CB 0.315 31.899 31.700 -0.194 0.000 0.875 157 V N 1.783 121.656 119.914 -0.067 0.000 2.630 157 V HA 0.255 4.376 4.120 0.001 0.000 0.305 157 V C 0.380 176.460 176.094 -0.023 0.000 1.046 157 V CA -0.642 61.646 62.300 -0.021 0.000 0.934 157 V CB 1.488 33.324 31.823 0.022 0.000 1.003 157 V HN 0.460 nan 8.190 nan 0.000 0.451 158 D N 2.742 123.138 120.400 -0.007 0.000 2.308 158 D HA 0.505 5.145 4.640 0.001 0.000 0.251 158 D C 0.299 176.554 176.300 -0.074 0.000 1.127 158 D CA 0.266 54.234 54.000 -0.053 0.000 0.876 158 D CB 1.892 42.668 40.800 -0.040 0.000 1.176 158 D HN 0.865 nan 8.370 nan 0.000 0.446 159 T N -1.741 112.642 114.554 -0.284 0.000 2.838 159 T HA 0.456 4.807 4.350 0.001 0.000 0.292 159 T C -2.251 171.979 174.700 -0.783 0.000 1.113 159 T CA -1.380 60.266 62.100 -0.756 0.000 1.008 159 T CB 2.274 70.782 68.868 -0.599 0.000 1.259 159 T HN -0.038 nan 8.240 nan 0.000 0.520 160 P HA 0.111 nan 4.420 nan 0.000 0.233 160 P C 1.345 178.161 177.300 -0.806 0.000 1.167 160 P CA 0.555 63.214 63.100 -0.735 0.000 0.770 160 P CB -0.234 31.051 31.700 -0.691 0.000 0.837 161 I N -4.873 115.272 120.570 -0.709 0.000 3.928 161 I HA 0.525 4.695 4.170 0.001 0.000 0.335 161 I C 0.532 176.374 176.117 -0.457 0.000 1.325 161 I CA -0.172 60.719 61.300 -0.682 0.000 1.107 161 I CB 0.030 37.870 38.000 -0.266 0.000 1.014 161 I HN -0.062 nan 8.210 nan 0.000 0.400 162 G N 1.354 109.919 108.800 -0.391 0.000 2.343 162 G HA2 -0.050 3.910 3.960 0.001 0.000 0.465 162 G HA3 -0.050 3.910 3.960 0.001 0.000 0.465 162 G C -1.155 173.645 174.900 -0.166 0.000 1.282 162 G CA -1.042 43.925 45.100 -0.221 0.000 0.996 162 G HN 0.158 nan 8.290 nan 0.000 0.521 163 R N 0.077 120.507 120.500 -0.115 0.000 2.357 163 R HA 0.243 4.584 4.340 0.001 0.000 0.330 163 R C -0.191 176.058 176.300 -0.085 0.000 1.102 163 R CA -0.423 55.615 56.100 -0.103 0.000 0.974 163 R CB 0.249 30.485 30.300 -0.106 0.000 1.002 163 R HN 0.516 nan 8.270 nan 0.000 0.463 164 L N 3.118 124.297 121.223 -0.072 0.000 2.255 164 L HA 0.381 4.722 4.340 0.001 0.000 0.289 164 L C 0.290 177.110 176.870 -0.084 0.000 1.046 164 L CA -0.137 54.677 54.840 -0.043 0.000 0.816 164 L CB 1.426 43.495 42.059 0.016 0.000 1.197 164 L HN 0.577 nan 8.230 nan 0.000 0.427 165 G N 6.170 114.905 108.800 -0.108 0.000 2.403 165 G HA2 0.463 4.424 3.960 0.001 0.000 0.259 165 G HA3 0.463 4.424 3.960 0.001 0.000 0.259 165 G C -0.717 174.055 174.900 -0.213 0.000 1.244 165 G CA -0.596 44.406 45.100 -0.164 0.000 0.849 165 G HN 0.628 nan 8.290 nan 0.000 0.532 166 L N 1.903 122.955 121.223 -0.285 0.000 2.296 166 L HA 0.622 4.963 4.340 0.001 0.000 0.286 166 L C 0.259 176.690 176.870 -0.732 0.000 1.023 166 L CA -0.395 54.192 54.840 -0.422 0.000 0.812 166 L CB 1.649 43.441 42.059 -0.445 0.000 1.223 166 L HN 0.487 nan 8.230 nan 0.000 0.421 167 S N 2.932 118.337 115.700 -0.492 0.000 2.656 167 S HA 0.749 5.219 4.470 0.001 0.000 0.273 167 S C -1.046 173.649 174.600 0.158 0.000 1.168 167 S CA -0.526 57.416 58.200 -0.431 0.000 0.817 167 S CB 2.385 65.338 63.200 -0.411 0.000 1.146 167 S HN 0.426 nan 8.310 nan 0.000 0.475 168 I N 0.804 121.635 120.570 0.435 0.000 2.644 168 I HA 0.340 4.511 4.170 0.001 0.000 0.291 168 I C 0.773 177.222 176.117 0.554 0.000 1.180 168 I CA -0.705 60.886 61.300 0.484 0.000 1.040 168 I CB 1.626 39.920 38.000 0.489 0.000 1.255 168 I HN 0.955 nan 8.210 nan 0.000 0.422 169 C N 4.595 124.236 119.300 0.567 0.000 0.879 169 C HA -0.409 4.051 4.460 0.001 0.000 0.055 169 C C 2.214 177.602 174.990 0.664 0.000 0.400 169 C CA 2.086 61.485 59.018 0.635 0.000 0.636 169 C CB -1.329 26.685 27.740 0.457 0.000 3.190 169 C HN 0.916 nan 8.230 nan 0.000 1.099 170 Y N 2.598 123.127 120.300 0.381 0.000 2.264 170 Y HA -0.199 4.351 4.550 0.001 0.000 0.282 170 Y C 2.147 178.347 175.900 0.501 0.000 1.204 170 Y CA 2.593 60.909 58.100 0.361 0.000 1.228 170 Y CB -0.773 37.897 38.460 0.350 0.000 0.971 170 Y HN 0.604 nan 8.280 nan 0.000 0.538 171 D N -0.909 119.832 120.400 0.568 0.000 2.158 171 D HA -0.209 4.432 4.640 0.001 0.000 0.197 171 D C 2.437 178.986 176.300 0.415 0.000 0.995 171 D CA 1.520 55.822 54.000 0.502 0.000 0.846 171 D CB -0.679 40.471 40.800 0.583 0.000 0.941 171 D HN 0.369 nan 8.370 nan 0.000 0.456 172 V N 0.972 121.095 119.914 0.348 0.000 2.660 172 V HA -0.246 3.875 4.120 0.001 0.000 0.257 172 V C 2.248 178.222 176.094 -0.201 0.000 1.088 172 V CA 1.636 63.818 62.300 -0.196 0.000 1.106 172 V CB -0.333 31.141 31.823 -0.582 0.000 0.686 172 V HN 0.077 nan 8.190 nan 0.000 0.481 173 R N -1.310 119.066 120.500 -0.208 0.000 2.276 173 R HA 0.043 4.384 4.340 0.001 0.000 0.203 173 R C -0.257 175.575 176.300 -0.781 0.000 1.017 173 R CA 0.330 56.105 56.100 -0.541 0.000 1.010 173 R CB 0.043 29.860 30.300 -0.804 0.000 0.900 173 R HN 0.530 nan 8.270 nan 0.000 0.469 174 F N 0.897 120.670 119.950 -0.296 0.000 2.325 174 F HA 0.332 4.859 4.527 0.001 0.000 0.369 174 F C -1.367 174.366 175.800 -0.112 0.000 1.095 174 F CA -2.878 54.969 58.000 -0.255 0.000 1.082 174 F CB 1.641 40.361 39.000 -0.466 0.000 1.289 174 F HN -0.131 nan 8.300 nan 0.000 0.462 175 P HA -0.189 nan 4.420 nan 0.000 0.218 175 P C 0.879 178.251 177.300 0.120 0.000 1.148 175 P CA 1.503 64.631 63.100 0.046 0.000 0.822 175 P CB 0.417 32.103 31.700 -0.022 0.000 0.784 176 E N 0.336 120.614 120.200 0.130 0.000 2.070 176 E HA -0.170 4.180 4.350 0.001 0.000 0.197 176 E C 2.246 178.980 176.600 0.223 0.000 1.004 176 E CA 0.843 57.337 56.400 0.156 0.000 0.805 176 E CB -1.154 28.625 29.700 0.132 0.000 0.744 176 E HN 0.190 nan 8.360 nan 0.000 0.451 177 L N 0.396 121.760 121.223 0.234 0.000 2.012 177 L HA -0.252 4.089 4.340 0.001 0.000 0.210 177 L C 2.083 179.164 176.870 0.351 0.000 1.073 177 L CA 1.528 56.545 54.840 0.295 0.000 0.748 177 L CB -0.177 42.060 42.059 0.296 0.000 0.891 177 L HN 0.166 nan 8.230 nan 0.000 0.431 178 S N -0.271 115.603 115.700 0.290 0.000 2.387 178 S HA -0.085 4.386 4.470 0.001 0.000 0.226 178 S C 1.863 176.607 174.600 0.239 0.000 1.026 178 S CA 0.804 59.158 58.200 0.257 0.000 0.972 178 S CB -0.143 63.227 63.200 0.283 0.000 0.814 178 S HN 0.328 nan 8.310 nan 0.000 0.477 179 L N -0.332 121.053 121.223 0.269 0.000 2.012 179 L HA -0.168 4.173 4.340 0.001 0.000 0.210 179 L C 2.327 179.396 176.870 0.330 0.000 1.073 179 L CA 1.599 56.636 54.840 0.329 0.000 0.748 179 L CB -0.535 41.692 42.059 0.279 0.000 0.891 179 L HN 0.463 nan 8.230 nan 0.000 0.431 180 W N 1.592 122.973 121.300 0.135 0.000 2.333 180 W HA -0.245 4.416 4.660 0.001 0.000 0.316 180 W C 2.292 178.845 176.519 0.055 0.000 1.215 180 W CA 2.105 59.509 57.345 0.098 0.000 1.278 180 W CB -0.607 28.898 29.460 0.075 0.000 1.154 180 W HN 0.122 nan 8.180 nan 0.000 0.486 181 N N -0.431 118.240 118.700 -0.049 0.000 2.149 181 N HA -0.290 4.450 4.740 0.001 0.000 0.188 181 N C 1.860 177.186 175.510 -0.306 0.000 1.019 181 N CA 1.640 54.488 53.050 -0.337 0.000 0.857 181 N CB -0.285 38.137 38.487 -0.109 0.000 0.997 181 N HN -0.021 nan 8.380 nan 0.000 0.426 182 R N 1.973 122.369 120.500 -0.174 0.000 2.066 182 R HA -0.008 4.333 4.340 0.001 0.000 0.232 182 R C 1.513 177.618 176.300 -0.325 0.000 1.131 182 R CA 1.579 57.524 56.100 -0.258 0.000 0.955 182 R CB -0.308 29.816 30.300 -0.294 0.000 0.851 182 R HN 0.079 nan 8.270 nan 0.000 0.432 183 K N 0.009 120.273 120.400 -0.226 0.000 2.152 183 K HA -0.053 4.267 4.320 0.001 0.000 0.206 183 K C 1.344 177.797 176.600 -0.245 0.000 1.048 183 K CA 1.129 57.319 56.287 -0.161 0.000 0.933 183 K CB -0.005 32.513 32.500 0.030 0.000 0.721 183 K HN 0.072 nan 8.250 nan 0.000 0.447 184 R N 0.110 120.364 120.500 -0.410 0.000 2.423 184 R HA 0.051 4.392 4.340 0.001 0.000 0.248 184 R C 0.558 176.677 176.300 -0.302 0.000 1.019 184 R CA 0.507 56.353 56.100 -0.423 0.000 1.119 184 R CB -0.055 29.806 30.300 -0.732 0.000 1.176 184 R HN 0.416 nan 8.270 nan 0.000 0.526 185 G N 0.748 109.393 108.800 -0.257 0.000 2.198 185 G HA2 -0.306 3.654 3.960 0.001 0.000 0.257 185 G HA3 -0.306 3.654 3.960 0.001 0.000 0.257 185 G C 0.269 175.055 174.900 -0.190 0.000 1.042 185 G CA 0.257 45.234 45.100 -0.205 0.000 0.791 185 G HN 0.560 nan 8.290 nan 0.000 0.502 186 A N -0.986 121.708 122.820 -0.211 0.000 2.351 186 A HA 0.717 5.038 4.320 0.001 0.000 0.257 186 A C 1.063 178.574 177.584 -0.122 0.000 1.087 186 A CA 0.847 52.787 52.037 -0.162 0.000 0.798 186 A CB 0.503 19.404 19.000 -0.163 0.000 1.033 186 A HN 0.534 nan 8.150 nan 0.000 0.488 187 Q N -0.317 119.439 119.800 -0.072 0.000 2.369 187 Q HA 0.283 4.623 4.340 0.001 0.000 0.254 187 Q C -1.094 174.937 176.000 0.052 0.000 0.858 187 Q CA 0.321 56.114 55.803 -0.016 0.000 0.961 187 Q CB 0.454 29.189 28.738 -0.006 0.000 1.119 187 Q HN 0.630 nan 8.270 nan 0.000 0.538 188 L N 0.570 121.807 121.223 0.024 0.000 2.401 188 L HA 0.476 4.817 4.340 0.001 0.000 0.266 188 L C -0.903 175.967 176.870 0.001 0.000 0.991 188 L CA -0.288 54.588 54.840 0.061 0.000 0.818 188 L CB 1.989 44.081 42.059 0.055 0.000 1.321 188 L HN -0.061 nan 8.230 nan 0.000 0.413 189 L N 1.124 122.351 121.223 0.006 0.000 2.313 189 L HA 0.884 5.224 4.340 0.001 0.000 0.268 189 L C -0.101 176.686 176.870 -0.139 0.000 1.010 189 L CA -0.520 54.265 54.840 -0.091 0.000 0.814 189 L CB 2.205 44.270 42.059 0.009 0.000 1.304 189 L HN 0.805 nan 8.230 nan 0.000 0.441 190 S N -0.429 115.035 115.700 -0.394 0.000 2.549 190 S HA 0.724 5.194 4.470 0.001 0.000 0.280 190 S C -0.934 173.295 174.600 -0.619 0.000 1.109 190 S CA -0.569 57.491 58.200 -0.233 0.000 0.905 190 S CB 1.664 64.934 63.200 0.116 0.000 1.081 190 S HN 0.412 nan 8.310 nan 0.000 0.477 191 F N 1.111 121.131 119.950 0.118 0.000 2.599 191 F HA 0.355 4.883 4.527 0.001 0.000 0.367 191 F C -2.609 173.334 175.800 0.240 0.000 1.517 191 F CA -1.421 56.676 58.000 0.162 0.000 1.090 191 F CB 1.362 40.413 39.000 0.084 0.000 1.758 191 F HN 0.342 nan 8.300 nan 0.000 0.550 192 P HA 0.106 nan 4.420 nan 0.000 0.264 192 P C -0.210 177.307 177.300 0.360 0.000 1.183 192 P CA 0.691 63.939 63.100 0.247 0.000 0.763 192 P CB 1.673 33.385 31.700 0.020 0.000 0.807 193 S N 0.923 116.860 115.700 0.395 0.000 2.656 193 S HA 0.703 5.173 4.470 0.001 0.000 0.273 193 S C -0.860 173.899 174.600 0.265 0.000 1.168 193 S CA -0.487 57.964 58.200 0.418 0.000 0.817 193 S CB 1.967 65.603 63.200 0.727 0.000 1.146 193 S HN 0.550 nan 8.310 nan 0.000 0.475 194 A N 1.208 124.181 122.820 0.254 0.000 3.216 194 A HA 0.644 4.965 4.320 0.001 0.000 0.321 194 A C -0.963 176.730 177.584 0.181 0.000 1.042 194 A CA -0.370 51.767 52.037 0.167 0.000 0.838 194 A CB -0.309 18.740 19.000 0.082 0.000 1.136 194 A HN 0.485 nan 8.150 nan 0.000 0.483 195 F N 0.797 120.744 119.950 -0.005 0.000 2.410 195 F HA 0.365 4.893 4.527 0.001 0.000 0.334 195 F C 1.363 177.161 175.800 -0.003 0.000 1.134 195 F CA 0.988 58.988 58.000 -0.000 0.000 1.227 195 F CB 1.159 40.118 39.000 -0.068 0.000 1.194 195 F HN 0.317 nan 8.300 nan 0.000 0.571 196 T N 4.566 119.145 114.554 0.041 0.000 2.913 196 T HA 0.070 4.420 4.350 0.001 0.000 0.297 196 T C 1.124 175.871 174.700 0.078 0.000 1.029 196 T CA -0.428 61.683 62.100 0.019 0.000 1.104 196 T CB 0.899 69.708 68.868 -0.099 0.000 0.964 196 T HN 0.546 nan 8.240 nan 0.000 0.532 197 L N 4.154 125.422 121.223 0.076 0.000 2.012 197 L HA -0.114 4.227 4.340 0.001 0.000 0.210 197 L C 1.921 178.785 176.870 -0.010 0.000 1.073 197 L CA 2.027 56.931 54.840 0.107 0.000 0.748 197 L CB -0.755 41.357 42.059 0.088 0.000 0.891 197 L HN 0.593 nan 8.230 nan 0.000 0.431 198 N N -1.968 116.703 118.700 -0.048 0.000 2.270 198 N HA -0.105 4.635 4.740 0.001 0.000 0.181 198 N C 1.537 176.934 175.510 -0.188 0.000 1.016 198 N CA 1.559 54.547 53.050 -0.103 0.000 0.870 198 N CB -0.111 38.329 38.487 -0.078 0.000 0.979 198 N HN 0.357 nan 8.380 nan 0.000 0.431 199 T N -0.995 113.464 114.554 -0.158 0.000 2.770 199 T HA 0.004 4.355 4.350 0.001 0.000 0.258 199 T C 2.010 176.626 174.700 -0.140 0.000 1.039 199 T CA 1.204 63.194 62.100 -0.184 0.000 1.143 199 T CB -0.788 68.026 68.868 -0.090 0.000 0.866 199 T HN 0.343 nan 8.240 nan 0.000 0.428 200 G N 2.550 111.349 108.800 -0.001 0.000 2.442 200 G HA2 -0.160 3.801 3.960 0.001 0.000 0.219 200 G HA3 -0.160 3.801 3.960 0.001 0.000 0.219 200 G C 1.495 175.642 174.900 -1.255 0.000 1.141 200 G CA 0.834 45.701 45.100 -0.388 0.000 0.763 200 G HN 0.578 nan 8.290 nan 0.000 0.554 201 L N -0.970 119.538 121.223 -1.191 0.000 2.549 201 L HA 0.331 4.671 4.340 0.001 0.000 0.229 201 L C 2.103 178.712 176.870 -0.435 0.000 1.158 201 L CA 1.635 55.942 54.840 -0.888 0.000 0.842 201 L CB -0.131 41.744 42.059 -0.305 0.000 0.952 201 L HN 0.232 nan 8.230 nan 0.000 0.452 202 A N -1.103 121.470 122.820 -0.413 0.000 2.138 202 A HA 0.146 4.467 4.320 0.001 0.000 0.203 202 A C 1.456 179.003 177.584 -0.061 0.000 1.286 202 A CA 0.188 52.063 52.037 -0.270 0.000 0.929 202 A CB -0.192 18.569 19.000 -0.398 0.000 0.975 202 A HN 0.659 nan 8.150 nan 0.000 0.480 203 H N -3.377 115.644 119.070 -0.083 0.000 3.058 203 H HA 0.073 4.630 4.556 0.001 0.000 0.258 203 H C 1.585 176.846 175.328 -0.111 0.000 1.015 203 H CA -0.397 55.624 56.048 -0.046 0.000 1.210 203 H CB 0.133 29.941 29.762 0.076 0.000 1.481 203 H HN 0.613 nan 8.280 nan 0.000 0.492 204 W N 3.066 124.166 121.300 -0.334 0.000 2.289 204 W HA -0.265 4.396 4.660 0.001 0.000 0.328 204 W C 2.137 178.503 176.519 -0.255 0.000 1.241 204 W CA 2.399 59.463 57.345 -0.469 0.000 1.221 204 W CB -0.213 29.005 29.460 -0.402 0.000 1.175 204 W HN 0.263 nan 8.180 nan 0.000 0.457 205 E N -0.420 119.723 120.200 -0.095 0.000 2.058 205 E HA -0.243 4.108 4.350 0.001 0.000 0.194 205 E C 2.010 178.480 176.600 -0.216 0.000 0.997 205 E CA 2.625 58.914 56.400 -0.185 0.000 0.801 205 E CB -0.544 29.155 29.700 -0.002 0.000 0.746 205 E HN 0.101 nan 8.360 nan 0.000 0.450 206 T N 1.507 115.974 114.554 -0.145 0.000 2.684 206 T HA -0.136 4.215 4.350 0.001 0.000 0.267 206 T C 1.870 176.444 174.700 -0.210 0.000 1.036 206 T CA 1.434 63.447 62.100 -0.145 0.000 1.148 206 T CB -0.210 68.604 68.868 -0.089 0.000 0.863 206 T HN 0.174 nan 8.240 nan 0.000 0.436 207 L N 0.347 121.419 121.223 -0.251 0.000 2.046 207 L HA -0.049 4.292 4.340 0.001 0.000 0.208 207 L C 2.509 179.127 176.870 -0.420 0.000 1.077 207 L CA 1.169 55.819 54.840 -0.316 0.000 0.747 207 L CB -0.637 41.239 42.059 -0.306 0.000 0.896 207 L HN 0.281 nan 8.230 nan 0.000 0.432 208 L N -0.677 120.226 121.223 -0.533 0.000 2.027 208 L HA -0.174 4.167 4.340 0.001 0.000 0.206 208 L C 2.846 179.526 176.870 -0.317 0.000 1.074 208 L CA 1.232 55.749 54.840 -0.538 0.000 0.745 208 L CB -0.519 41.124 42.059 -0.694 0.000 0.898 208 L HN 0.204 nan 8.230 nan 0.000 0.433 209 R N 0.059 120.398 120.500 -0.269 0.000 2.096 209 R HA -0.129 4.211 4.340 0.001 0.000 0.235 209 R C 2.424 178.617 176.300 -0.178 0.000 1.127 209 R CA 1.267 57.255 56.100 -0.187 0.000 0.968 209 R CB -0.500 29.704 30.300 -0.159 0.000 0.861 209 R HN 0.358 nan 8.270 nan 0.000 0.440 210 A N 1.449 124.154 122.820 -0.193 0.000 1.877 210 A HA -0.151 4.169 4.320 0.001 0.000 0.216 210 A C 2.066 179.568 177.584 -0.137 0.000 1.186 210 A CA 1.091 53.027 52.037 -0.168 0.000 0.620 210 A CB -0.259 18.635 19.000 -0.176 0.000 0.822 210 A HN 0.093 nan 8.150 nan 0.000 0.443 211 R N -0.180 120.229 120.500 -0.150 0.000 2.083 211 R HA -0.114 4.226 4.340 0.001 0.000 0.237 211 R C 2.456 178.745 176.300 -0.018 0.000 1.137 211 R CA 1.558 57.619 56.100 -0.065 0.000 0.951 211 R CB -1.483 28.776 30.300 -0.069 0.000 0.851 211 R HN 0.530 nan 8.270 nan 0.000 0.434 212 A N 1.329 124.119 122.820 -0.049 0.000 1.892 212 A HA -0.157 4.163 4.320 0.001 0.000 0.218 212 A C 2.388 179.931 177.584 -0.068 0.000 1.188 212 A CA 1.577 53.585 52.037 -0.049 0.000 0.631 212 A CB -0.599 18.354 19.000 -0.078 0.000 0.822 212 A HN 0.240 nan 8.150 nan 0.000 0.447 213 I N -0.547 119.959 120.570 -0.106 0.000 2.202 213 I HA -0.247 3.923 4.170 0.001 0.000 0.242 213 I C 2.443 178.517 176.117 -0.070 0.000 1.091 213 I CA 1.692 62.908 61.300 -0.140 0.000 1.368 213 I CB -0.554 37.315 38.000 -0.218 0.000 1.058 213 I HN 0.425 nan 8.210 nan 0.000 0.410 214 E N 0.799 120.978 120.200 -0.036 0.000 2.150 214 E HA -0.138 4.212 4.350 0.001 0.000 0.193 214 E C 1.297 178.019 176.600 0.203 0.000 0.985 214 E CA 0.922 57.338 56.400 0.027 0.000 0.814 214 E CB -0.078 29.623 29.700 0.003 0.000 0.752 214 E HN 0.489 nan 8.360 nan 0.000 0.466 215 N N 0.512 119.317 118.700 0.174 0.000 2.205 215 N HA 0.013 4.753 4.740 0.001 0.000 0.201 215 N C -0.607 174.920 175.510 0.029 0.000 1.128 215 N CA 0.151 53.320 53.050 0.198 0.000 0.867 215 N CB 0.707 39.263 38.487 0.115 0.000 0.996 215 N HN 0.094 nan 8.380 nan 0.000 0.503 216 Q N -0.030 119.785 119.800 0.024 0.000 2.443 216 Q HA -0.177 4.164 4.340 0.001 0.000 0.337 216 Q C -0.917 175.034 176.000 -0.081 0.000 1.401 216 Q CA 0.313 56.093 55.803 -0.039 0.000 0.943 216 Q CB -2.044 26.678 28.738 -0.026 0.000 1.177 216 Q HN 0.369 nan 8.270 nan 0.000 0.394 217 C N -0.387 118.873 119.300 -0.066 0.000 2.994 217 C HA 0.568 5.028 4.460 0.001 0.000 0.304 217 C C -0.037 174.934 174.990 -0.031 0.000 1.273 217 C CA -1.229 57.772 59.018 -0.028 0.000 1.537 217 C CB 1.073 28.814 27.740 0.003 0.000 2.001 217 C HN 0.470 nan 8.230 nan 0.000 0.471 218 Y N 0.578 120.876 120.300 -0.003 0.000 2.397 218 Y HA 0.438 4.988 4.550 0.001 0.000 0.335 218 Y C 0.484 176.379 175.900 -0.009 0.000 1.213 218 Y CA 0.432 58.536 58.100 0.006 0.000 1.391 218 Y CB 0.574 39.036 38.460 0.005 0.000 1.293 218 Y HN 0.352 nan 8.280 nan 0.000 0.557 219 V N 3.948 123.939 119.914 0.128 0.000 2.444 219 V HA 0.365 4.485 4.120 0.001 0.000 0.294 219 V C -0.966 175.142 176.094 0.023 0.000 1.022 219 V CA -0.923 61.431 62.300 0.090 0.000 0.850 219 V CB 1.648 33.521 31.823 0.083 0.000 0.992 219 V HN 0.447 nan 8.190 nan 0.000 0.426 220 V N 4.115 123.999 119.914 -0.050 0.000 2.357 220 V HA 0.770 4.891 4.120 0.001 0.000 0.284 220 V C 0.307 176.361 176.094 -0.066 0.000 1.018 220 V CA -0.417 61.751 62.300 -0.220 0.000 0.841 220 V CB 1.514 32.907 31.823 -0.716 0.000 0.991 220 V HN 0.956 nan 8.190 nan 0.000 0.437 221 A N 4.275 127.110 122.820 0.025 0.000 2.586 221 A HA 0.832 5.153 4.320 0.001 0.000 0.320 221 A C 0.249 178.007 177.584 0.290 0.000 1.281 221 A CA -0.290 51.874 52.037 0.212 0.000 0.775 221 A CB 0.650 19.759 19.000 0.182 0.000 1.122 221 A HN 1.149 nan 8.150 nan 0.000 0.470 222 A N 1.672 124.624 122.820 0.220 0.000 2.409 222 A HA 0.740 5.061 4.320 0.001 0.000 0.262 222 A C 0.533 178.255 177.584 0.230 0.000 1.113 222 A CA 0.523 52.675 52.037 0.191 0.000 0.790 222 A CB 0.281 19.381 19.000 0.167 0.000 1.046 222 A HN 2.085 nan 8.150 nan 0.000 0.496 223 A N 2.183 125.101 122.820 0.163 0.000 2.532 223 A HA 0.714 5.035 4.320 0.001 0.000 0.290 223 A C -0.584 177.040 177.584 0.068 0.000 1.143 223 A CA -0.699 51.398 52.037 0.099 0.000 0.728 223 A CB 0.953 19.902 19.000 -0.085 0.000 1.317 223 A HN 0.754 nan 8.150 nan 0.000 0.414 224 Q N 0.282 120.133 119.800 0.085 0.000 2.259 224 Q HA 0.585 4.925 4.340 0.001 0.000 0.246 224 Q C -0.392 175.653 176.000 0.076 0.000 0.920 224 Q CA 0.149 56.044 55.803 0.154 0.000 0.895 224 Q CB 1.663 30.551 28.738 0.251 0.000 1.220 224 Q HN 0.767 nan 8.270 nan 0.000 0.439 225 T N -0.776 113.805 114.554 0.045 0.000 2.816 225 T HA 0.666 5.017 4.350 0.001 0.000 0.299 225 T C -0.478 174.127 174.700 -0.158 0.000 1.230 225 T CA 0.519 62.577 62.100 -0.071 0.000 1.007 225 T CB 1.312 70.108 68.868 -0.120 0.000 1.289 225 T HN 0.883 nan 8.240 nan 0.000 0.508 226 G N 0.963 109.663 108.800 -0.167 0.000 2.750 226 G HA2 0.295 4.256 3.960 0.001 0.000 0.228 226 G HA3 0.295 4.256 3.960 0.001 0.000 0.228 226 G C -0.073 174.632 174.900 -0.324 0.000 1.367 226 G CA -0.148 44.836 45.100 -0.193 0.000 0.871 226 G HN 1.469 nan 8.290 nan 0.000 0.560 227 A N -0.597 122.072 122.820 -0.252 0.000 2.260 227 A HA 0.700 5.021 4.320 0.001 0.000 0.308 227 A C 0.933 178.367 177.584 -0.250 0.000 1.254 227 A CA 0.264 52.159 52.037 -0.236 0.000 0.874 227 A CB 0.357 19.301 19.000 -0.093 0.000 1.153 227 A HN 0.800 nan 8.150 nan 0.000 0.527 228 H N 1.873 120.961 119.070 0.029 0.000 2.448 228 H HA 0.011 4.567 4.556 0.001 0.000 0.292 228 H C 0.118 175.467 175.328 0.035 0.000 1.035 228 H CA 1.554 57.626 56.048 0.039 0.000 1.349 228 H CB 0.242 30.033 29.762 0.049 0.000 1.425 228 H HN 0.905 nan 8.280 nan 0.000 0.539 229 N N -2.114 116.657 118.700 0.119 0.000 3.227 229 N HA 0.085 4.826 4.740 0.001 0.000 0.241 229 N C -2.656 172.883 175.510 0.048 0.000 1.480 229 N CA -1.288 51.807 53.050 0.076 0.000 0.886 229 N CB 0.973 39.511 38.487 0.085 0.000 1.406 229 N HN -0.374 nan 8.380 nan 0.000 0.514 230 P HA -0.173 nan 4.420 nan 0.000 0.218 230 P C -0.039 177.276 177.300 0.025 0.000 1.147 230 P CA 1.494 64.608 63.100 0.023 0.000 0.827 230 P CB 0.163 31.874 31.700 0.019 0.000 0.778 231 K N -1.108 119.314 120.400 0.037 0.000 2.726 231 K HA 0.285 4.605 4.320 0.001 0.000 0.209 231 K C 0.078 176.709 176.600 0.052 0.000 1.082 231 K CA -0.124 56.185 56.287 0.036 0.000 1.081 231 K CB 0.910 33.429 32.500 0.031 0.000 0.830 231 K HN 0.117 nan 8.250 nan 0.000 0.470 232 R N 0.577 121.118 120.500 0.069 0.000 2.572 232 R HA 0.185 4.525 4.340 0.001 0.000 0.273 232 R C -1.570 174.792 176.300 0.104 0.000 1.168 232 R CA -0.150 56.017 56.100 0.111 0.000 1.021 232 R CB 1.403 31.805 30.300 0.169 0.000 1.249 232 R HN 0.071 nan 8.270 nan 0.000 0.423 233 Q N 1.919 121.761 119.800 0.070 0.000 2.397 233 Q HA 0.543 4.884 4.340 0.001 0.000 0.275 233 Q C -1.341 174.690 176.000 0.052 0.000 1.090 233 Q CA -0.659 55.134 55.803 -0.017 0.000 0.809 233 Q CB 2.623 31.348 28.738 -0.022 0.000 1.362 233 Q HN 0.625 nan 8.270 nan 0.000 0.431 234 S N 1.236 116.945 115.700 0.015 0.000 2.568 234 S HA 0.231 4.702 4.470 0.001 0.000 0.302 234 S C -0.198 174.450 174.600 0.080 0.000 1.082 234 S CA -0.528 57.742 58.200 0.116 0.000 1.009 234 S CB 0.908 64.253 63.200 0.241 0.000 1.069 234 S HN 0.720 nan 8.310 nan 0.000 0.500 235 Y N 2.822 123.092 120.300 -0.050 0.000 2.293 235 Y HA 0.145 4.696 4.550 0.001 0.000 0.291 235 Y C 1.520 177.385 175.900 -0.058 0.000 1.137 235 Y CA 1.582 59.628 58.100 -0.090 0.000 1.202 235 Y CB -0.722 37.619 38.460 -0.199 0.000 0.990 235 Y HN 1.074 nan 8.280 nan 0.000 0.537 236 G N -0.405 108.237 108.800 -0.262 0.000 2.531 236 G HA2 -0.362 3.599 3.960 0.001 0.000 0.274 236 G HA3 -0.362 3.599 3.960 0.001 0.000 0.274 236 G C 0.064 174.738 174.900 -0.377 0.000 1.159 236 G CA 0.214 45.130 45.100 -0.306 0.000 0.969 236 G HN 0.684 nan 8.290 nan 0.000 0.554 237 H N -0.417 118.404 119.070 -0.416 0.000 2.791 237 H HA -0.158 4.399 4.556 0.001 0.000 0.302 237 H C 0.839 176.234 175.328 0.112 0.000 1.198 237 H CA 0.760 56.688 56.048 -0.200 0.000 1.145 237 H CB -2.003 27.599 29.762 -0.267 0.000 1.385 237 H HN 0.821 nan 8.280 nan 0.000 0.409 238 S N 1.144 116.914 115.700 0.118 0.000 2.563 238 S HA 0.221 4.691 4.470 0.001 0.000 0.294 238 S C 1.037 175.756 174.600 0.199 0.000 1.279 238 S CA 0.694 59.024 58.200 0.216 0.000 1.069 238 S CB 0.640 63.893 63.200 0.088 0.000 0.828 238 S HN 0.450 nan 8.310 nan 0.000 0.497 239 M N 0.960 120.698 119.600 0.229 0.000 2.948 239 M HA 0.837 5.318 4.480 0.001 0.000 0.278 239 M C -1.825 174.497 176.300 0.036 0.000 1.293 239 M CA -1.116 54.255 55.300 0.118 0.000 0.777 239 M CB 1.720 34.404 32.600 0.140 0.000 1.713 239 M HN 0.197 nan 8.290 nan 0.000 0.444 240 V N 1.334 121.262 119.914 0.024 0.000 2.623 240 V HA 0.666 4.787 4.120 0.001 0.000 0.304 240 V C -0.937 175.194 176.094 0.061 0.000 1.054 240 V CA -0.666 61.644 62.300 0.018 0.000 0.882 240 V CB 1.895 33.729 31.823 0.018 0.000 1.002 240 V HN 0.713 nan 8.190 nan 0.000 0.424 241 V N 3.515 123.464 119.914 0.058 0.000 2.555 241 V HA 0.511 4.632 4.120 0.001 0.000 0.302 241 V C -0.414 175.688 176.094 0.013 0.000 1.038 241 V CA -0.730 61.588 62.300 0.030 0.000 0.887 241 V CB 2.107 33.905 31.823 -0.041 0.000 0.991 241 V HN 1.046 nan 8.190 nan 0.000 0.434 242 D N 4.782 125.153 120.400 -0.048 0.000 2.354 242 D HA 0.289 4.930 4.640 0.001 0.000 0.247 242 D C -2.143 173.952 176.300 -0.343 0.000 1.138 242 D CA -2.398 51.374 54.000 -0.380 0.000 0.958 242 D CB 0.905 41.659 40.800 -0.077 0.000 1.144 242 D HN 0.222 nan 8.370 nan 0.000 0.458 243 P HA -0.058 nan 4.420 nan 0.000 0.231 243 P C 0.378 177.634 177.300 -0.072 0.000 1.154 243 P CA 0.853 63.765 63.100 -0.313 0.000 0.762 243 P CB -0.093 31.353 31.700 -0.423 0.000 0.790 244 W N -0.843 120.309 121.300 -0.247 0.000 3.103 244 W HA 0.275 4.936 4.660 0.001 0.000 0.325 244 W C 0.684 177.157 176.519 -0.076 0.000 1.170 244 W CA 0.501 57.767 57.345 -0.133 0.000 1.712 244 W CB 0.839 30.293 29.460 -0.010 0.000 1.068 244 W HN 0.151 nan 8.180 nan 0.000 0.592 245 G N 1.234 110.010 108.800 -0.041 0.000 2.176 245 G HA2 -0.182 3.779 3.960 0.001 0.000 0.232 245 G HA3 -0.182 3.779 3.960 0.001 0.000 0.232 245 G C 0.080 174.957 174.900 -0.039 0.000 0.986 245 G CA -0.073 44.961 45.100 -0.110 0.000 0.643 245 G HN 0.461 nan 8.290 nan 0.000 0.522 246 A N 0.063 122.916 122.820 0.056 0.000 2.354 246 A HA 0.698 5.018 4.320 0.001 0.000 0.269 246 A C 0.524 178.143 177.584 0.057 0.000 1.109 246 A CA 0.038 52.121 52.037 0.077 0.000 0.800 246 A CB 1.203 20.292 19.000 0.147 0.000 1.045 246 A HN 1.093 nan 8.150 nan 0.000 0.489 247 V N 4.613 124.556 119.914 0.049 0.000 2.338 247 V HA 0.088 4.208 4.120 0.001 0.000 0.255 247 V C 1.348 177.488 176.094 0.076 0.000 1.082 247 V CA 0.446 62.778 62.300 0.053 0.000 0.951 247 V CB 0.427 32.279 31.823 0.049 0.000 1.102 247 V HN 0.897 nan 8.190 nan 0.000 0.489 248 V N 1.908 121.880 119.914 0.096 0.000 3.461 248 V HA 0.577 4.697 4.120 0.001 0.000 0.267 248 V C 0.763 176.919 176.094 0.104 0.000 1.186 248 V CA 0.888 63.255 62.300 0.111 0.000 1.154 248 V CB -0.424 31.492 31.823 0.156 0.000 0.802 248 V HN 0.840 nan 8.190 nan 0.000 0.474 249 A N -0.327 122.545 122.820 0.086 0.000 2.555 249 A HA 0.745 5.065 4.320 0.001 0.000 0.297 249 A C -0.975 176.642 177.584 0.054 0.000 1.060 249 A CA -0.425 51.654 52.037 0.071 0.000 0.710 249 A CB 1.761 20.798 19.000 0.062 0.000 1.282 249 A HN 0.424 nan 8.150 nan 0.000 0.399 250 Q N 0.712 120.538 119.800 0.044 0.000 2.435 250 Q HA 0.575 4.916 4.340 0.001 0.000 0.282 250 Q C -1.352 174.646 176.000 -0.003 0.000 1.020 250 Q CA -0.624 55.203 55.803 0.040 0.000 0.820 250 Q CB 1.981 30.760 28.738 0.070 0.000 1.436 250 Q HN 0.950 nan 8.270 nan 0.000 0.395 251 C N 1.238 120.519 119.300 -0.033 0.000 2.443 251 C HA 0.602 5.063 4.460 0.001 0.000 0.369 251 C C 0.541 175.466 174.990 -0.108 0.000 1.241 251 C CA -0.414 58.562 59.018 -0.071 0.000 2.413 251 C CB 1.054 28.745 27.740 -0.083 0.000 2.451 251 C HN 0.813 nan 8.230 nan 0.000 0.595 252 S N 0.534 116.177 115.700 -0.094 0.000 2.624 252 S HA 0.152 4.623 4.470 0.001 0.000 0.263 252 S C 0.116 174.614 174.600 -0.171 0.000 1.287 252 S CA -0.264 57.866 58.200 -0.116 0.000 0.990 252 S CB 0.449 63.609 63.200 -0.066 0.000 0.950 252 S HN 0.784 nan 8.310 nan 0.000 0.561 253 E N 2.231 122.315 120.200 -0.195 0.000 1.795 253 E HA 0.149 4.499 4.350 0.001 0.000 0.261 253 E C 0.164 176.682 176.600 -0.135 0.000 1.238 253 E CA 0.092 56.362 56.400 -0.217 0.000 1.001 253 E CB -0.816 28.760 29.700 -0.207 0.000 1.065 253 E HN 0.587 nan 8.360 nan 0.000 0.418 254 R N -0.261 120.166 120.500 -0.122 0.000 3.084 254 R HA 0.172 4.513 4.340 0.001 0.000 0.280 254 R C -1.384 174.879 176.300 -0.061 0.000 0.935 254 R CA -0.904 55.149 56.100 -0.078 0.000 0.815 254 R CB 0.087 30.352 30.300 -0.057 0.000 1.457 254 R HN -0.066 nan 8.270 nan 0.000 0.499 255 V N 1.908 121.801 119.914 -0.036 0.000 2.326 255 V HA 0.261 4.382 4.120 0.001 0.000 0.249 255 V C -0.256 175.825 176.094 -0.021 0.000 1.114 255 V CA 0.681 62.971 62.300 -0.017 0.000 1.028 255 V CB -0.217 31.607 31.823 0.002 0.000 1.170 255 V HN 0.578 nan 8.190 nan 0.000 0.494 256 D N 3.164 123.543 120.400 -0.034 0.000 2.838 256 D HA 0.559 5.199 4.640 0.001 0.000 0.334 256 D C -0.729 175.526 176.300 -0.075 0.000 1.315 256 D CA -0.532 53.443 54.000 -0.042 0.000 0.917 256 D CB 2.184 42.963 40.800 -0.035 0.000 1.435 256 D HN 0.407 nan 8.370 nan 0.000 0.517 257 M N -0.233 119.296 119.600 -0.119 0.000 2.719 257 M HA 0.741 5.221 4.480 0.001 0.000 0.291 257 M C -0.720 175.385 176.300 -0.325 0.000 1.264 257 M CA -0.686 54.471 55.300 -0.239 0.000 0.811 257 M CB 2.272 34.665 32.600 -0.346 0.000 1.756 257 M HN 0.546 nan 8.290 nan 0.000 0.464 258 C N -0.662 118.360 119.300 -0.464 0.000 3.080 258 C HA 0.917 5.377 4.460 0.001 0.000 0.307 258 C C -1.294 173.297 174.990 -0.665 0.000 1.311 258 C CA -0.866 57.923 59.018 -0.382 0.000 1.533 258 C CB 1.064 28.728 27.740 -0.127 0.000 1.970 258 C HN 0.850 nan 8.230 nan 0.000 0.467 259 F N 1.037 120.964 119.950 -0.039 0.000 2.546 259 F HA 0.834 5.361 4.527 0.001 0.000 0.320 259 F C 0.543 176.315 175.800 -0.047 0.000 1.076 259 F CA -0.188 57.733 58.000 -0.131 0.000 0.928 259 F CB 2.078 41.021 39.000 -0.096 0.000 1.189 259 F HN 1.123 nan 8.300 nan 0.000 0.465 260 A N 1.422 124.268 122.820 0.045 0.000 2.549 260 A HA 0.656 4.976 4.320 0.001 0.000 0.297 260 A C -1.455 176.244 177.584 0.193 0.000 1.061 260 A CA -0.671 51.443 52.037 0.129 0.000 0.690 260 A CB 1.808 20.841 19.000 0.055 0.000 1.287 260 A HN 0.776 nan 8.150 nan 0.000 0.402 261 E N 2.034 122.392 120.200 0.263 0.000 2.183 261 E HA 0.475 4.826 4.350 0.001 0.000 0.250 261 E C -0.844 175.807 176.600 0.084 0.000 0.901 261 E CA -0.610 55.949 56.400 0.264 0.000 0.741 261 E CB 0.322 30.170 29.700 0.246 0.000 1.182 261 E HN 0.646 nan 8.360 nan 0.000 0.425 262 I N 0.877 121.395 120.570 -0.086 0.000 2.581 262 I HA 0.430 4.600 4.170 0.001 0.000 0.288 262 I C -0.234 175.775 176.117 -0.179 0.000 1.047 262 I CA -0.286 60.737 61.300 -0.462 0.000 1.374 262 I CB 1.129 38.447 38.000 -1.137 0.000 1.423 262 I HN 0.220 nan 8.210 nan 0.000 0.549 263 D N 4.728 125.137 120.400 0.015 0.000 2.420 263 D HA 0.330 4.971 4.640 0.001 0.000 0.255 263 D C 0.629 177.083 176.300 0.255 0.000 1.185 263 D CA -0.435 53.648 54.000 0.139 0.000 0.904 263 D CB 0.887 41.780 40.800 0.155 0.000 1.102 263 D HN 0.703 nan 8.370 nan 0.000 0.534 264 L N 1.751 123.076 121.223 0.169 0.000 2.263 264 L HA -0.168 4.172 4.340 0.001 0.000 0.216 264 L C 1.951 178.915 176.870 0.156 0.000 1.111 264 L CA 0.818 55.760 54.840 0.171 0.000 0.773 264 L CB -0.290 41.838 42.059 0.115 0.000 0.906 264 L HN 0.327 nan 8.230 nan 0.000 0.439 265 S N -1.434 114.354 115.700 0.147 0.000 2.406 265 S HA -0.161 4.310 4.470 0.001 0.000 0.228 265 S C 1.824 176.528 174.600 0.174 0.000 1.020 265 S CA 0.571 58.842 58.200 0.118 0.000 0.965 265 S CB -0.267 62.983 63.200 0.083 0.000 0.798 265 S HN 0.408 nan 8.310 nan 0.000 0.488 266 Y N 2.787 123.130 120.300 0.072 0.000 2.181 266 Y HA -0.125 4.426 4.550 0.001 0.000 0.288 266 Y C 2.148 178.064 175.900 0.026 0.000 1.146 266 Y CA 0.493 58.617 58.100 0.040 0.000 1.164 266 Y CB -0.861 37.647 38.460 0.080 0.000 0.982 266 Y HN 0.025 nan 8.280 nan 0.000 0.515 267 V N 0.583 120.534 119.914 0.061 0.000 2.255 267 V HA -0.335 3.785 4.120 0.001 0.000 0.247 267 V C 2.268 178.320 176.094 -0.071 0.000 1.051 267 V CA 2.284 64.546 62.300 -0.064 0.000 1.018 267 V CB -0.726 31.127 31.823 0.051 0.000 0.641 267 V HN 0.325 nan 8.190 nan 0.000 0.445 268 D N -0.057 120.338 120.400 -0.008 0.000 2.116 268 D HA -0.165 4.475 4.640 0.001 0.000 0.193 268 D C 2.260 178.543 176.300 -0.030 0.000 0.998 268 D CA 2.092 56.082 54.000 -0.017 0.000 0.836 268 D CB -0.495 40.308 40.800 0.006 0.000 0.951 268 D HN 0.437 nan 8.370 nan 0.000 0.449 269 T N 1.723 116.268 114.554 -0.016 0.000 2.635 269 T HA -0.136 4.214 4.350 0.001 0.000 0.267 269 T C 2.253 176.905 174.700 -0.081 0.000 1.040 269 T CA 0.757 62.843 62.100 -0.024 0.000 1.156 269 T CB -0.404 68.484 68.868 0.032 0.000 0.863 269 T HN 0.139 nan 8.240 nan 0.000 0.430 270 L N 0.317 121.439 121.223 -0.168 0.000 2.017 270 L HA -0.110 4.231 4.340 0.001 0.000 0.208 270 L C 2.901 179.736 176.870 -0.059 0.000 1.073 270 L CA 1.539 56.279 54.840 -0.167 0.000 0.745 270 L CB -0.582 41.323 42.059 -0.258 0.000 0.894 270 L HN 0.193 nan 8.230 nan 0.000 0.432 271 R N -0.233 120.230 120.500 -0.063 0.000 2.152 271 R HA -0.195 4.146 4.340 0.001 0.000 0.232 271 R C 2.179 178.467 176.300 -0.020 0.000 1.117 271 R CA 1.306 57.384 56.100 -0.035 0.000 0.981 271 R CB -0.180 30.084 30.300 -0.059 0.000 0.870 271 R HN 0.473 nan 8.270 nan 0.000 0.451 272 E N 0.283 120.469 120.200 -0.023 0.000 2.051 272 E HA -0.114 4.236 4.350 0.001 0.000 0.189 272 E C 1.626 178.226 176.600 0.001 0.000 0.979 272 E CA 0.727 57.122 56.400 -0.009 0.000 0.803 272 E CB 0.248 29.942 29.700 -0.010 0.000 0.761 272 E HN 0.099 nan 8.360 nan 0.000 0.451 273 M N 0.278 119.873 119.600 -0.009 0.000 2.492 273 M HA 0.068 4.548 4.480 0.001 0.000 0.262 273 M C 0.336 176.654 176.300 0.030 0.000 1.090 273 M CA 1.015 56.317 55.300 0.003 0.000 1.110 273 M CB 0.238 32.823 32.600 -0.026 0.000 1.407 273 M HN 0.023 nan 8.290 nan 0.000 0.470 274 Q N 1.205 121.022 119.800 0.029 0.000 3.244 274 Q HA 0.237 4.578 4.340 0.001 0.000 0.249 274 Q C -2.178 173.798 176.000 -0.040 0.000 0.951 274 Q CA -1.140 54.683 55.803 0.033 0.000 0.740 274 Q CB 1.838 30.648 28.738 0.120 0.000 1.334 274 Q HN 0.131 nan 8.270 nan 0.000 0.448 275 P HA -0.029 nan 4.420 nan 0.000 0.232 275 P C 1.178 178.201 177.300 -0.462 0.000 1.738 275 P CA 0.142 63.147 63.100 -0.158 0.000 0.948 275 P CB -0.226 31.451 31.700 -0.039 0.000 1.943 276 V N -2.795 116.946 119.914 -0.289 0.000 2.332 276 V HA -0.237 3.883 4.120 0.001 0.000 0.248 276 V C 1.762 177.760 176.094 -0.160 0.000 1.055 276 V CA 1.484 63.604 62.300 -0.300 0.000 1.038 276 V CB -2.101 29.663 31.823 -0.099 0.000 0.651 276 V HN 0.022 nan 8.190 nan 0.000 0.450 277 F N 1.351 121.241 119.950 -0.100 0.000 2.773 277 F HA 0.124 4.651 4.527 0.001 0.000 0.299 277 F C 1.998 177.813 175.800 0.025 0.000 1.204 277 F CA 1.134 59.127 58.000 -0.011 0.000 1.454 277 F CB -0.448 38.548 39.000 -0.005 0.000 1.117 277 F HN 0.170 nan 8.300 nan 0.000 0.590 278 S N -2.302 113.484 115.700 0.143 0.000 2.629 278 S HA 0.088 4.558 4.470 0.001 0.000 0.236 278 S C 0.691 175.523 174.600 0.388 0.000 1.010 278 S CA -0.118 58.212 58.200 0.216 0.000 0.981 278 S CB -0.092 63.229 63.200 0.203 0.000 0.919 278 S HN 0.311 nan 8.310 nan 0.000 0.514 279 H N 1.127 120.211 119.070 0.023 0.000 2.827 279 H HA 0.341 4.898 4.556 0.001 0.000 0.269 279 H C 0.413 175.730 175.328 -0.019 0.000 1.031 279 H CA -0.393 55.656 56.048 0.001 0.000 1.202 279 H CB 0.242 30.006 29.762 0.004 0.000 1.511 279 H HN 0.153 nan 8.280 nan 0.000 0.517 280 R N 2.026 122.579 120.500 0.089 0.000 2.489 280 R HA 0.125 4.465 4.340 0.001 0.000 0.287 280 R C 0.009 176.230 176.300 -0.131 0.000 1.053 280 R CA -0.224 55.890 56.100 0.024 0.000 1.036 280 R CB 0.786 31.104 30.300 0.031 0.000 0.966 280 R HN -0.023 nan 8.270 nan 0.000 0.432 281 R N 2.222 122.538 120.500 -0.307 0.000 2.612 281 R HA 0.037 4.378 4.340 0.001 0.000 0.273 281 R C 0.276 176.174 176.300 -0.670 0.000 1.376 281 R CA 0.043 55.905 56.100 -0.396 0.000 1.171 281 R CB 0.467 30.597 30.300 -0.284 0.000 1.151 281 R HN 0.609 nan 8.270 nan 0.000 0.560 282 S N 1.308 116.790 115.700 -0.365 0.000 2.522 282 S HA -0.094 4.376 4.470 0.001 0.000 0.227 282 S C 1.193 175.682 174.600 -0.185 0.000 0.986 282 S CA 0.836 58.873 58.200 -0.271 0.000 0.929 282 S CB 0.081 63.224 63.200 -0.094 0.000 0.769 282 S HN 0.597 nan 8.310 nan 0.000 0.529 283 D N 0.957 121.255 120.400 -0.171 0.000 2.347 283 D HA 0.008 4.648 4.640 0.001 0.000 0.213 283 D C 1.410 177.654 176.300 -0.092 0.000 0.985 283 D CA 0.399 54.341 54.000 -0.096 0.000 0.879 283 D CB -0.099 40.659 40.800 -0.070 0.000 0.919 283 D HN 0.381 nan 8.370 nan 0.000 0.526 284 L N -1.207 119.917 121.223 -0.165 0.000 2.547 284 L HA 0.187 4.528 4.340 0.001 0.000 0.218 284 L C -0.017 176.867 176.870 0.024 0.000 1.048 284 L CA -0.115 54.684 54.840 -0.068 0.000 0.859 284 L CB 0.207 42.244 42.059 -0.037 0.000 1.128 284 L HN 0.006 nan 8.230 nan 0.000 0.483 285 Y N -2.320 117.991 120.300 0.018 0.000 2.562 285 Y HA 0.735 5.285 4.550 0.001 0.000 0.345 285 Y C -0.920 175.002 175.900 0.037 0.000 1.045 285 Y CA -1.432 56.682 58.100 0.024 0.000 1.028 285 Y CB 1.290 39.760 38.460 0.017 0.000 1.297 285 Y HN -0.310 nan 8.280 nan 0.000 0.463 286 T N 3.932 118.651 114.554 0.275 0.000 2.991 286 T HA 0.339 4.690 4.350 0.001 0.000 0.303 286 T C -1.611 173.220 174.700 0.219 0.000 1.015 286 T CA -0.473 61.754 62.100 0.211 0.000 1.007 286 T CB 1.320 70.262 68.868 0.124 0.000 1.034 286 T HN 0.782 nan 8.240 nan 0.000 0.446 287 L N 4.886 126.245 121.223 0.226 0.000 2.328 287 L HA 0.433 4.773 4.340 0.001 0.000 0.280 287 L C -0.109 176.858 176.870 0.162 0.000 1.111 287 L CA -0.284 54.666 54.840 0.183 0.000 0.909 287 L CB -0.663 41.508 42.059 0.188 0.000 1.277 287 L HN 0.701 nan 8.230 nan 0.000 0.433 288 H N 3.932 123.040 119.070 0.064 0.000 2.610 288 H HA 0.577 5.134 4.556 0.001 0.000 0.336 288 H C -0.978 174.345 175.328 -0.007 0.000 1.087 288 H CA 0.048 56.110 56.048 0.023 0.000 1.405 288 H CB 0.689 30.451 29.762 -0.000 0.000 1.460 288 H HN 0.582 nan 8.280 nan 0.000 0.538 289 I N 4.349 124.391 120.570 -0.880 0.000 2.608 289 I HA 0.173 4.344 4.170 0.001 0.000 0.295 289 I C -0.622 175.046 176.117 -0.748 0.000 1.049 289 I CA -0.705 60.166 61.300 -0.714 0.000 1.063 289 I CB 1.866 39.462 38.000 -0.674 0.000 1.248 289 I HN 0.666 nan 8.210 nan 0.000 0.424 290 N N 5.217 123.667 118.700 -0.417 0.000 2.437 290 N HA 0.239 4.980 4.740 0.001 0.000 0.243 290 N C -0.659 174.792 175.510 -0.098 0.000 1.041 290 N CA -0.150 52.824 53.050 -0.127 0.000 0.940 290 N CB 1.104 39.600 38.487 0.014 0.000 1.133 290 N HN 0.582 nan 8.380 nan 0.000 0.506 291 E N 1.257 121.452 120.200 -0.009 0.000 2.238 291 E HA 0.244 4.595 4.350 0.001 0.000 0.267 291 E C -1.037 175.587 176.600 0.040 0.000 0.887 291 E CA -0.677 55.748 56.400 0.042 0.000 0.769 291 E CB 1.887 31.682 29.700 0.158 0.000 1.187 291 E HN 0.179 nan 8.360 nan 0.000 0.416 292 K N 2.712 123.122 120.400 0.017 0.000 2.404 292 K HA 0.259 4.579 4.320 0.001 0.000 0.257 292 K C -0.917 175.636 176.600 -0.078 0.000 1.026 292 K CA -0.391 55.839 56.287 -0.095 0.000 0.951 292 K CB 0.804 33.305 32.500 0.001 0.000 1.203 292 K HN 0.510 nan 8.250 nan 0.000 0.446 293 S N 1.550 117.175 115.700 -0.124 0.000 2.687 293 S HA 0.470 4.941 4.470 0.001 0.000 0.283 293 S C -0.239 174.309 174.600 -0.086 0.000 1.170 293 S CA -0.881 57.278 58.200 -0.068 0.000 1.008 293 S CB 1.491 64.665 63.200 -0.044 0.000 1.026 293 S HN 0.508 nan 8.310 nan 0.000 0.541 294 S N 0.544 116.215 115.700 -0.048 0.000 2.454 294 S HA 0.485 4.956 4.470 0.001 0.000 0.306 294 S C -0.917 173.659 174.600 -0.040 0.000 1.100 294 S CA -0.864 57.314 58.200 -0.037 0.000 1.087 294 S CB 0.880 64.071 63.200 -0.015 0.000 1.019 294 S HN 0.657 nan 8.310 nan 0.000 0.480 295 E N 2.797 122.974 120.200 -0.039 0.000 2.042 295 E HA 0.183 4.533 4.350 0.001 0.000 0.260 295 E C 0.172 176.750 176.600 -0.036 0.000 0.975 295 E CA -0.298 56.072 56.400 -0.051 0.000 0.799 295 E CB 0.762 30.423 29.700 -0.065 0.000 1.131 295 E HN 0.833 nan 8.360 nan 0.000 0.423 296 T N -0.153 114.379 114.554 -0.036 0.000 3.500 296 T HA 0.449 4.800 4.350 0.001 0.000 0.244 296 T C 0.592 175.269 174.700 -0.039 0.000 0.962 296 T CA -0.325 61.758 62.100 -0.029 0.000 0.932 296 T CB -0.115 68.739 68.868 -0.023 0.000 1.096 296 T HN 0.351 nan 8.240 nan 0.000 0.617 297 G N -0.850 107.919 108.800 -0.051 0.000 2.473 297 G HA2 0.526 4.486 3.960 0.001 0.000 0.298 297 G HA3 0.526 4.486 3.960 0.001 0.000 0.298 297 G C -0.122 174.726 174.900 -0.087 0.000 1.575 297 G CA -0.411 44.651 45.100 -0.063 0.000 0.846 297 G HN 0.464 nan 8.290 nan 0.000 0.585 298 G N -0.994 107.753 108.800 -0.089 0.000 2.712 298 G HA2 0.536 4.497 3.960 0.001 0.000 0.258 298 G HA3 0.536 4.497 3.960 0.001 0.000 0.258 298 G C -0.108 174.681 174.900 -0.186 0.000 1.241 298 G CA -0.254 44.777 45.100 -0.115 0.000 0.923 298 G HN 0.778 nan 8.290 nan 0.000 0.548 299 L N -0.455 120.605 121.223 -0.271 0.000 2.371 299 L HA 0.402 4.742 4.340 0.001 0.000 0.262 299 L C -0.116 176.584 176.870 -0.283 0.000 1.006 299 L CA -1.211 53.380 54.840 -0.415 0.000 0.818 299 L CB 2.249 43.728 42.059 -0.966 0.000 1.354 299 L HN 0.249 nan 8.230 nan 0.000 0.415 300 K N 1.981 122.264 120.400 -0.195 0.000 2.349 300 K HA 0.175 4.496 4.320 0.001 0.000 0.289 300 K C -0.792 175.811 176.600 0.005 0.000 1.064 300 K CA -0.035 56.222 56.287 -0.050 0.000 0.947 300 K CB 0.481 32.977 32.500 -0.007 0.000 1.007 300 K HN 0.288 nan 8.250 nan 0.000 0.478 301 F N 3.800 123.642 119.950 -0.181 0.000 2.344 301 F HA 0.329 4.857 4.527 0.001 0.000 0.344 301 F C 0.735 176.471 175.800 -0.108 0.000 1.140 301 F CA -0.555 57.223 58.000 -0.369 0.000 1.256 301 F CB -1.025 37.773 39.000 -0.336 0.000 1.573 301 F HN 0.797 nan 8.300 nan 0.000 0.547 302 A N 3.446 126.221 122.820 -0.074 0.000 4.823 302 A HA -0.264 4.056 4.320 0.001 0.000 0.274 302 A C 1.622 179.198 177.584 -0.013 0.000 2.220 302 A CA 0.806 52.884 52.037 0.069 0.000 0.716 302 A CB -1.106 17.876 19.000 -0.029 0.000 1.109 302 A HN 0.432 nan 8.150 nan 0.000 0.327 303 R N -0.530 119.847 120.500 -0.205 0.000 2.254 303 R HA 0.358 4.699 4.340 0.001 0.000 0.193 303 R C 0.399 176.512 176.300 -0.312 0.000 0.929 303 R CA 0.650 56.563 56.100 -0.311 0.000 1.038 303 R CB -0.426 29.593 30.300 -0.468 0.000 1.009 303 R HN 0.534 nan 8.270 nan 0.000 0.512 304 F N 1.684 121.580 119.950 -0.090 0.000 2.485 304 F HA 0.159 4.686 4.527 0.001 0.000 0.327 304 F C 0.942 176.721 175.800 -0.036 0.000 1.203 304 F CA -0.181 57.787 58.000 -0.054 0.000 1.295 304 F CB 0.198 39.168 39.000 -0.049 0.000 1.191 304 F HN -0.254 nan 8.300 nan 0.000 0.588 305 N N 2.112 120.919 118.700 0.178 0.000 2.479 305 N HA 0.280 5.021 4.740 0.001 0.000 0.261 305 N C -1.052 174.497 175.510 0.065 0.000 0.979 305 N CA -0.368 52.722 53.050 0.068 0.000 0.930 305 N CB 1.509 40.011 38.487 0.025 0.000 1.172 305 N HN 0.262 nan 8.380 nan 0.000 0.499 306 I N 3.017 123.588 120.570 0.001 0.000 2.352 306 I HA 0.299 4.469 4.170 0.001 0.000 0.290 306 I C -2.069 174.046 176.117 -0.004 0.000 1.036 306 I CA -2.393 58.908 61.300 0.001 0.000 1.336 306 I CB 0.328 38.217 38.000 -0.185 0.000 1.407 306 I HN 0.062 nan 8.210 nan 0.000 0.497 307 P HA 0.102 nan 4.420 nan 0.000 0.268 307 P C 0.647 177.917 177.300 -0.051 0.000 1.204 307 P CA -0.061 62.973 63.100 -0.111 0.000 0.768 307 P CB 0.878 32.359 31.700 -0.365 0.000 0.842 308 A N 3.536 126.326 122.820 -0.048 0.000 2.032 308 A HA -0.230 4.090 4.320 0.001 0.000 0.221 308 A C 1.450 179.062 177.584 0.046 0.000 1.165 308 A CA 2.192 54.229 52.037 -0.001 0.000 0.645 308 A CB -1.333 17.655 19.000 -0.021 0.000 0.807 308 A HN 0.677 nan 8.150 nan 0.000 0.453 309 D N -2.208 118.184 120.400 -0.013 0.000 2.363 309 D HA -0.080 4.560 4.640 0.001 0.000 0.220 309 D C 1.193 177.600 176.300 0.179 0.000 0.994 309 D CA 1.068 55.087 54.000 0.033 0.000 0.890 309 D CB -0.639 40.131 40.800 -0.049 0.000 0.906 309 D HN 0.739 nan 8.370 nan 0.000 0.530 310 H N -0.761 118.401 119.070 0.154 0.000 2.586 310 H HA 0.338 4.894 4.556 0.001 0.000 0.273 310 H C 0.060 175.595 175.328 0.345 0.000 0.997 310 H CA -0.463 55.719 56.048 0.222 0.000 1.177 310 H CB 0.870 30.753 29.762 0.201 0.000 1.471 310 H HN 0.116 nan 8.280 nan 0.000 0.538 311 I N 1.700 122.515 120.570 0.409 0.000 2.354 311 I HA 0.032 4.202 4.170 0.001 0.000 0.292 311 I C -0.032 176.305 176.117 0.367 0.000 0.989 311 I CA -0.629 60.896 61.300 0.375 0.000 1.188 311 I CB 1.082 39.238 38.000 0.260 0.000 1.342 311 I HN 0.173 nan 8.210 nan 0.000 0.457 312 F N 5.167 125.272 119.950 0.257 0.000 2.704 312 F HA 0.401 4.928 4.527 0.001 0.000 0.304 312 F C -0.215 175.760 175.800 0.292 0.000 1.094 312 F CA -0.640 57.507 58.000 0.244 0.000 1.275 312 F CB -0.132 39.033 39.000 0.276 0.000 1.073 312 F HN 0.286 nan 8.300 nan 0.000 0.586 313 Y N 0.578 120.708 120.300 -0.284 0.000 2.519 313 Y HA 0.588 5.138 4.550 0.001 0.000 0.336 313 Y C -1.116 174.726 175.900 -0.098 0.000 1.089 313 Y CA -1.426 56.569 58.100 -0.174 0.000 1.025 313 Y CB 1.803 40.099 38.460 -0.274 0.000 1.318 313 Y HN -0.008 nan 8.280 nan 0.000 0.452 314 S N 2.711 118.064 115.700 -0.578 0.000 2.547 314 S HA 0.825 5.295 4.470 0.001 0.000 0.270 314 S C -1.272 173.091 174.600 -0.395 0.000 1.150 314 S CA 0.132 58.158 58.200 -0.289 0.000 0.850 314 S CB 1.378 64.518 63.200 -0.100 0.000 1.118 314 S HN 1.138 nan 8.310 nan 0.000 0.461 315 T N 0.362 114.842 114.554 -0.122 0.000 2.841 315 T HA 0.669 5.020 4.350 0.001 0.000 0.296 315 T C -2.507 172.229 174.700 0.060 0.000 1.166 315 T CA -1.545 60.537 62.100 -0.031 0.000 1.007 315 T CB 1.525 70.440 68.868 0.077 0.000 1.253 315 T HN 0.336 nan 8.240 nan 0.000 0.511 316 P HA -0.063 nan 4.420 nan 0.000 0.226 316 P C 0.752 178.033 177.300 -0.032 0.000 1.146 316 P CA 1.154 64.275 63.100 0.035 0.000 0.773 316 P CB -0.061 31.677 31.700 0.064 0.000 0.772 317 H N -2.044 117.092 119.070 0.109 0.000 2.788 317 H HA 0.301 4.857 4.556 0.001 0.000 0.262 317 H C 0.486 175.910 175.328 0.159 0.000 0.968 317 H CA 0.404 56.529 56.048 0.129 0.000 1.218 317 H CB 1.157 31.005 29.762 0.143 0.000 1.443 317 H HN 0.083 nan 8.280 nan 0.000 0.478 318 S N -0.049 115.822 115.700 0.285 0.000 2.705 318 S HA 0.539 5.010 4.470 0.001 0.000 0.280 318 S C -1.215 173.597 174.600 0.355 0.000 1.174 318 S CA -0.854 57.524 58.200 0.297 0.000 0.823 318 S CB 2.366 65.659 63.200 0.154 0.000 1.162 318 S HN 0.278 nan 8.310 nan 0.000 0.487 319 F N -1.309 118.665 119.950 0.041 0.000 2.654 319 F HA 0.864 5.392 4.527 0.001 0.000 0.308 319 F C -1.755 174.054 175.800 0.016 0.000 1.108 319 F CA -1.213 56.795 58.000 0.013 0.000 0.957 319 F CB 1.008 40.020 39.000 0.020 0.000 1.309 319 F HN 0.323 nan 8.300 nan 0.000 0.446 320 V N 3.040 122.892 119.914 -0.104 0.000 2.487 320 V HA 0.645 4.765 4.120 0.001 0.000 0.298 320 V C -0.773 175.201 176.094 -0.200 0.000 1.028 320 V CA -0.811 61.248 62.300 -0.401 0.000 0.860 320 V CB 1.241 32.625 31.823 -0.732 0.000 0.991 320 V HN 0.795 nan 8.190 nan 0.000 0.427 321 F N 3.120 122.985 119.950 -0.141 0.000 2.588 321 F HA 0.912 5.440 4.527 0.001 0.000 0.314 321 F C -0.117 175.825 175.800 0.237 0.000 1.069 321 F CA -1.594 56.489 58.000 0.139 0.000 0.931 321 F CB 1.447 40.509 39.000 0.103 0.000 1.260 321 F HN 0.401 nan 8.300 nan 0.000 0.465 322 V N 0.356 120.515 119.914 0.409 0.000 2.811 322 V HA 0.247 4.368 4.120 0.001 0.000 0.302 322 V C 0.000 176.180 176.094 0.143 0.000 1.063 322 V CA -0.596 61.834 62.300 0.216 0.000 1.088 322 V CB 0.900 32.808 31.823 0.142 0.000 0.982 322 V HN 1.019 nan 8.190 nan 0.000 0.485 323 N N 2.496 121.262 118.700 0.110 0.000 2.530 323 N HA 0.213 4.953 4.740 0.001 0.000 0.277 323 N C 0.619 176.165 175.510 0.061 0.000 1.168 323 N CA -0.843 52.285 53.050 0.130 0.000 0.979 323 N CB 1.056 39.668 38.487 0.208 0.000 1.141 323 N HN 0.879 nan 8.380 nan 0.000 0.459 324 L N 2.028 123.291 121.223 0.067 0.000 2.492 324 L HA 0.131 4.471 4.340 0.001 0.000 0.223 324 L C -0.288 176.585 176.870 0.004 0.000 1.132 324 L CA 1.389 56.240 54.840 0.019 0.000 0.850 324 L CB -0.373 41.704 42.059 0.030 0.000 0.966 324 L HN 0.621 nan 8.230 nan 0.000 0.454 325 K N 1.534 121.932 120.400 -0.004 0.000 3.350 325 K HA 0.273 4.594 4.320 0.001 0.000 0.167 325 K C -2.443 174.076 176.600 -0.135 0.000 1.058 325 K CA -1.290 54.969 56.287 -0.047 0.000 0.783 325 K CB 0.828 33.307 32.500 -0.035 0.000 0.872 325 K HN 0.003 nan 8.250 nan 0.000 0.561 326 P HA -0.080 nan 4.420 nan 0.000 0.255 326 P C 0.883 178.016 177.300 -0.279 0.000 1.173 326 P CA 0.220 63.197 63.100 -0.206 0.000 0.780 326 P CB 0.886 32.573 31.700 -0.021 0.000 0.758 327 V N 2.396 121.958 119.914 -0.586 0.000 3.241 327 V HA -0.061 4.060 4.120 0.001 0.000 0.269 327 V C 1.420 177.450 176.094 -0.107 0.000 1.151 327 V CA 1.996 64.105 62.300 -0.319 0.000 1.158 327 V CB -1.008 30.613 31.823 -0.336 0.000 0.764 327 V HN 0.865 nan 8.190 nan 0.000 0.508 328 T N -1.745 112.785 114.554 -0.041 0.000 2.913 328 T HA 0.084 4.435 4.350 0.001 0.000 0.341 328 T C -1.837 172.925 174.700 0.103 0.000 1.855 328 T CA -0.830 61.295 62.100 0.043 0.000 1.049 328 T CB 1.107 70.010 68.868 0.059 0.000 1.769 328 T HN 0.150 nan 8.240 nan 0.000 0.511 329 D N 1.145 121.627 120.400 0.137 0.000 2.488 329 D HA 0.373 5.014 4.640 0.001 0.000 0.238 329 D C 1.485 177.904 176.300 0.197 0.000 1.138 329 D CA 2.140 56.291 54.000 0.250 0.000 0.873 329 D CB 0.738 41.730 40.800 0.319 0.000 1.183 329 D HN 1.209 nan 8.370 nan 0.000 0.458 330 G N 1.963 110.850 108.800 0.144 0.000 2.241 330 G HA2 -0.282 3.678 3.960 0.001 0.000 0.244 330 G HA3 -0.282 3.678 3.960 0.001 0.000 0.244 330 G C 0.477 175.300 174.900 -0.129 0.000 0.998 330 G CA 0.187 45.096 45.100 -0.318 0.000 0.621 330 G HN 0.791 nan 8.290 nan 0.000 0.519 331 H N 1.732 120.757 119.070 -0.075 0.000 3.253 331 H HA 0.414 4.971 4.556 0.001 0.000 0.250 331 H C 0.664 175.967 175.328 -0.041 0.000 1.051 331 H CA 1.232 57.249 56.048 -0.051 0.000 1.458 331 H CB -0.156 29.596 29.762 -0.015 0.000 1.549 331 H HN 0.744 nan 8.280 nan 0.000 0.506 332 V N 3.440 123.235 119.914 -0.198 0.000 3.204 332 V HA 0.622 4.742 4.120 0.001 0.000 0.316 332 V C -0.215 175.649 176.094 -0.384 0.000 1.160 332 V CA -1.209 60.998 62.300 -0.155 0.000 1.044 332 V CB 2.402 34.217 31.823 -0.014 0.000 1.136 332 V HN 0.483 nan 8.190 nan 0.000 0.455 333 L N 0.553 121.420 121.223 -0.594 0.000 2.354 333 L HA 0.773 5.114 4.340 0.001 0.000 0.269 333 L C -1.148 175.181 176.870 -0.901 0.000 1.005 333 L CA -0.867 53.460 54.840 -0.855 0.000 0.819 333 L CB 2.252 43.539 42.059 -1.286 0.000 1.311 333 L HN 0.484 nan 8.230 nan 0.000 0.423 334 V N 1.429 120.958 119.914 -0.643 0.000 2.409 334 V HA 0.484 4.604 4.120 0.001 0.000 0.290 334 V C -0.425 175.415 176.094 -0.423 0.000 1.017 334 V CA -0.216 61.773 62.300 -0.518 0.000 0.841 334 V CB 1.639 33.222 31.823 -0.400 0.000 1.003 334 V HN 0.833 nan 8.190 nan 0.000 0.426 335 S N 6.299 121.718 115.700 -0.469 0.000 2.599 335 S HA 0.706 5.177 4.470 0.001 0.000 0.294 335 S C -2.893 171.683 174.600 -0.041 0.000 1.094 335 S CA -1.235 56.845 58.200 -0.199 0.000 0.931 335 S CB 2.873 66.032 63.200 -0.067 0.000 1.093 335 S HN 0.585 nan 8.310 nan 0.000 0.488 336 P HA 0.333 nan 4.420 nan 0.000 0.284 336 P C -0.208 177.405 177.300 0.522 0.000 1.253 336 P CA -0.461 62.809 63.100 0.282 0.000 0.800 336 P CB 1.014 32.803 31.700 0.148 0.000 0.961 337 K N 1.324 121.996 120.400 0.453 0.000 2.103 337 K HA -0.101 4.220 4.320 0.001 0.000 0.207 337 K C 1.311 178.069 176.600 0.264 0.000 1.048 337 K CA 1.006 57.485 56.287 0.320 0.000 0.930 337 K CB -0.043 32.516 32.500 0.098 0.000 0.716 337 K HN 0.369 nan 8.250 nan 0.000 0.444 338 R N 2.139 122.751 120.500 0.186 0.000 2.351 338 R HA 0.030 4.370 4.340 0.001 0.000 0.318 338 R C -0.809 175.547 176.300 0.094 0.000 1.055 338 R CA 0.042 56.213 56.100 0.117 0.000 0.968 338 R CB 0.446 30.790 30.300 0.074 0.000 0.974 338 R HN -0.095 nan 8.270 nan 0.000 0.439 339 V N 6.225 126.229 119.914 0.149 0.000 2.416 339 V HA -0.001 4.120 4.120 0.001 0.000 0.267 339 V C 0.237 176.289 176.094 -0.071 0.000 1.007 339 V CA 0.487 62.850 62.300 0.104 0.000 1.102 339 V CB 0.475 32.462 31.823 0.274 0.000 1.035 339 V HN 0.384 nan 8.190 nan 0.000 0.473 340 V N 8.162 127.898 119.914 -0.297 0.000 2.888 340 V HA 0.403 4.523 4.120 0.001 0.000 0.309 340 V C -1.474 174.545 176.094 -0.124 0.000 1.114 340 V CA -0.956 61.264 62.300 -0.133 0.000 0.940 340 V CB 2.837 34.617 31.823 -0.070 0.000 1.021 340 V HN 0.537 nan 8.190 nan 0.000 0.426 341 P HA 0.040 nan 4.420 nan 0.000 0.216 341 P C 0.131 177.473 177.300 0.069 0.000 1.154 341 P CA 0.629 63.761 63.100 0.054 0.000 0.857 341 P CB 0.650 32.386 31.700 0.061 0.000 0.787 342 R N -0.205 120.324 120.500 0.049 0.000 2.486 342 R HA 0.395 4.735 4.340 0.001 0.000 0.286 342 R C 1.551 177.884 176.300 0.055 0.000 0.999 342 R CA -0.743 55.390 56.100 0.056 0.000 0.993 342 R CB 1.350 31.678 30.300 0.047 0.000 1.084 342 R HN 0.036 nan 8.270 nan 0.000 0.487 343 L N 0.916 122.180 121.223 0.069 0.000 2.083 343 L HA -0.151 4.190 4.340 0.001 0.000 0.209 343 L C 1.960 178.871 176.870 0.069 0.000 1.083 343 L CA 1.646 56.537 54.840 0.085 0.000 0.752 343 L CB -0.425 41.701 42.059 0.112 0.000 0.899 343 L HN 0.797 nan 8.230 nan 0.000 0.433 344 T N -4.614 109.971 114.554 0.053 0.000 3.227 344 T HA -0.047 4.303 4.350 0.001 0.000 0.257 344 T C 0.910 175.632 174.700 0.036 0.000 1.162 344 T CA 0.406 62.530 62.100 0.040 0.000 1.051 344 T CB -0.214 68.673 68.868 0.031 0.000 0.953 344 T HN 0.212 nan 8.240 nan 0.000 0.535 345 D N 0.425 120.849 120.400 0.039 0.000 2.417 345 D HA 0.279 4.920 4.640 0.001 0.000 0.207 345 D C 0.583 176.906 176.300 0.038 0.000 1.075 345 D CA -0.047 53.973 54.000 0.033 0.000 0.851 345 D CB 0.379 41.195 40.800 0.026 0.000 0.976 345 D HN 0.415 nan 8.370 nan 0.000 0.505 346 L N 1.267 122.520 121.223 0.049 0.000 2.418 346 L HA 0.222 4.562 4.340 0.001 0.000 0.265 346 L C 0.991 177.900 176.870 0.064 0.000 1.143 346 L CA -0.308 54.569 54.840 0.063 0.000 0.809 346 L CB 1.056 43.160 42.059 0.076 0.000 1.124 346 L HN -0.067 nan 8.230 nan 0.000 0.456 347 T N -3.331 111.269 114.554 0.078 0.000 2.922 347 T HA 0.143 4.493 4.350 0.001 0.000 0.285 347 T C 0.665 175.406 174.700 0.068 0.000 1.005 347 T CA -0.894 61.248 62.100 0.070 0.000 1.061 347 T CB 1.356 70.276 68.868 0.088 0.000 1.007 347 T HN 0.480 nan 8.240 nan 0.000 0.502 348 D N 1.462 121.891 120.400 0.048 0.000 2.172 348 D HA -0.173 4.468 4.640 0.001 0.000 0.196 348 D C 2.283 178.603 176.300 0.032 0.000 0.999 348 D CA 1.808 55.832 54.000 0.039 0.000 0.856 348 D CB -0.708 40.111 40.800 0.030 0.000 0.934 348 D HN 0.782 nan 8.370 nan 0.000 0.453 349 A N 0.955 123.798 122.820 0.039 0.000 1.908 349 A HA -0.242 4.079 4.320 0.001 0.000 0.218 349 A C 2.134 179.629 177.584 -0.149 0.000 1.181 349 A CA 1.739 53.751 52.037 -0.041 0.000 0.627 349 A CB -0.508 18.506 19.000 0.024 0.000 0.818 349 A HN 0.254 nan 8.150 nan 0.000 0.445 350 E N -1.089 119.119 120.200 0.014 0.000 2.028 350 E HA -0.103 4.247 4.350 0.001 0.000 0.190 350 E C 2.172 178.805 176.600 0.056 0.000 0.984 350 E CA 1.459 57.911 56.400 0.088 0.000 0.800 350 E CB -0.369 29.435 29.700 0.174 0.000 0.758 350 E HN 0.562 nan 8.360 nan 0.000 0.448 351 T N 1.231 115.834 114.554 0.080 0.000 2.607 351 T HA -0.263 4.088 4.350 0.001 0.000 0.267 351 T C 2.018 176.810 174.700 0.153 0.000 1.049 351 T CA 1.626 63.816 62.100 0.149 0.000 1.162 351 T CB -0.419 68.527 68.868 0.130 0.000 0.863 351 T HN 0.284 nan 8.240 nan 0.000 0.424 352 A N 1.355 124.195 122.820 0.034 0.000 1.865 352 A HA -0.206 4.114 4.320 0.001 0.000 0.217 352 A C 2.123 179.599 177.584 -0.181 0.000 1.191 352 A CA 2.388 54.378 52.037 -0.078 0.000 0.623 352 A CB -1.029 17.881 19.000 -0.150 0.000 0.826 352 A HN 0.581 nan 8.150 nan 0.000 0.444 353 D N -1.112 119.196 120.400 -0.153 0.000 2.144 353 D HA -0.116 4.524 4.640 0.001 0.000 0.200 353 D C 1.746 178.036 176.300 -0.018 0.000 0.978 353 D CA 1.042 55.010 54.000 -0.053 0.000 0.833 353 D CB -0.154 40.691 40.800 0.075 0.000 0.961 353 D HN 0.226 nan 8.370 nan 0.000 0.470 354 L N -0.575 120.618 121.223 -0.050 0.000 1.989 354 L HA -0.093 4.247 4.340 0.001 0.000 0.211 354 L C 1.842 178.508 176.870 -0.340 0.000 1.071 354 L CA 1.697 56.416 54.840 -0.202 0.000 0.749 354 L CB -0.655 41.217 42.059 -0.312 0.000 0.890 354 L HN 0.110 nan 8.230 nan 0.000 0.431 355 F N -1.416 118.491 119.950 -0.071 0.000 2.456 355 F HA -0.004 4.523 4.527 0.001 0.000 0.298 355 F C 2.224 177.969 175.800 -0.092 0.000 1.104 355 F CA 0.596 58.546 58.000 -0.083 0.000 1.435 355 F CB -0.251 38.700 39.000 -0.081 0.000 1.078 355 F HN 0.015 nan 8.300 nan 0.000 0.546 356 I N -1.148 119.434 120.570 0.019 0.000 2.617 356 I HA -0.169 4.002 4.170 0.001 0.000 0.256 356 I C 2.065 178.173 176.117 -0.015 0.000 1.167 356 I CA 0.501 61.788 61.300 -0.022 0.000 1.469 356 I CB -0.210 37.725 38.000 -0.109 0.000 1.098 356 I HN -0.076 nan 8.210 nan 0.000 0.436 357 V N 0.967 120.871 119.914 -0.017 0.000 2.453 357 V HA -0.192 3.929 4.120 0.001 0.000 0.247 357 V C 2.699 178.725 176.094 -0.114 0.000 1.048 357 V CA 1.747 64.032 62.300 -0.026 0.000 1.049 357 V CB -0.669 31.179 31.823 0.043 0.000 0.672 357 V HN 0.452 nan 8.190 nan 0.000 0.457 358 A N -0.071 122.674 122.820 -0.125 0.000 1.933 358 A HA -0.281 4.039 4.320 0.001 0.000 0.218 358 A C 2.316 179.848 177.584 -0.086 0.000 1.175 358 A CA 2.275 54.231 52.037 -0.135 0.000 0.628 358 A CB -0.446 18.473 19.000 -0.135 0.000 0.814 358 A HN 0.537 nan 8.150 nan 0.000 0.444 359 K N -0.057 120.314 120.400 -0.047 0.000 2.025 359 K HA -0.148 4.173 4.320 0.001 0.000 0.207 359 K C 1.980 178.531 176.600 -0.080 0.000 1.049 359 K CA 1.657 57.918 56.287 -0.043 0.000 0.933 359 K CB -0.176 32.312 32.500 -0.020 0.000 0.714 359 K HN 0.447 nan 8.250 nan 0.000 0.438 360 K N 0.141 120.474 120.400 -0.112 0.000 2.097 360 K HA -0.098 4.222 4.320 0.001 0.000 0.206 360 K C 2.012 178.497 176.600 -0.191 0.000 1.049 360 K CA 1.328 57.517 56.287 -0.164 0.000 0.933 360 K CB -0.020 32.326 32.500 -0.256 0.000 0.717 360 K HN -0.012 nan 8.250 nan 0.000 0.442 361 V N 1.592 121.386 119.914 -0.200 0.000 2.358 361 V HA -0.257 3.864 4.120 0.001 0.000 0.246 361 V C 2.522 178.525 176.094 -0.151 0.000 1.047 361 V CA 1.645 63.846 62.300 -0.166 0.000 1.035 361 V CB -0.393 31.341 31.823 -0.148 0.000 0.658 361 V HN 0.392 nan 8.190 nan 0.000 0.452 362 Q N 0.195 119.916 119.800 -0.132 0.000 2.014 362 Q HA -0.288 4.052 4.340 0.001 0.000 0.207 362 Q C 2.274 178.212 176.000 -0.102 0.000 0.993 362 Q CA 2.588 58.322 55.803 -0.116 0.000 0.850 362 Q CB -0.397 28.293 28.738 -0.081 0.000 0.916 362 Q HN 0.602 nan 8.270 nan 0.000 0.417 363 A N 0.904 123.675 122.820 -0.082 0.000 1.917 363 A HA -0.276 4.045 4.320 0.001 0.000 0.219 363 A C 2.093 179.645 177.584 -0.053 0.000 1.182 363 A CA 2.343 54.345 52.037 -0.059 0.000 0.633 363 A CB -0.837 18.132 19.000 -0.051 0.000 0.819 363 A HN 0.745 nan 8.150 nan 0.000 0.448 364 M N -0.902 118.652 119.600 -0.077 0.000 2.175 364 M HA 0.056 4.536 4.480 0.001 0.000 0.264 364 M C 1.725 177.982 176.300 -0.073 0.000 1.063 364 M CA 1.832 57.096 55.300 -0.059 0.000 1.119 364 M CB -0.659 31.895 32.600 -0.077 0.000 1.377 364 M HN 0.189 nan 8.290 nan 0.000 0.415 365 L N 0.143 121.258 121.223 -0.180 0.000 2.131 365 L HA -0.112 4.229 4.340 0.001 0.000 0.210 365 L C 2.335 179.173 176.870 -0.052 0.000 1.092 365 L CA 1.406 56.096 54.840 -0.251 0.000 0.759 365 L CB -0.771 41.055 42.059 -0.388 0.000 0.903 365 L HN 0.490 nan 8.230 nan 0.000 0.435 366 E N -0.197 119.987 120.200 -0.027 0.000 2.170 366 E HA -0.195 4.156 4.350 0.001 0.000 0.191 366 E C 1.971 178.610 176.600 0.066 0.000 0.981 366 E CA 0.446 56.861 56.400 0.025 0.000 0.830 366 E CB 0.187 29.884 29.700 -0.005 0.000 0.775 366 E HN 0.154 nan 8.360 nan 0.000 0.470 367 K N 0.469 120.909 120.400 0.066 0.000 2.155 367 K HA -0.144 4.177 4.320 0.001 0.000 0.203 367 K C 1.949 178.618 176.600 0.116 0.000 1.052 367 K CA 1.212 57.541 56.287 0.070 0.000 0.948 367 K CB -0.118 32.417 32.500 0.058 0.000 0.728 367 K HN 0.166 nan 8.250 nan 0.000 0.448 368 H N -0.726 118.396 119.070 0.086 0.000 2.268 368 H HA -0.004 4.553 4.556 0.001 0.000 0.313 368 H C 0.918 176.340 175.328 0.157 0.000 1.056 368 H CA 1.609 57.743 56.048 0.144 0.000 1.369 368 H CB -0.263 29.652 29.762 0.254 0.000 1.422 368 H HN 0.248 nan 8.280 nan 0.000 0.520 369 H N 1.226 120.472 119.070 0.294 0.000 2.570 369 H HA -0.019 4.538 4.556 0.001 0.000 0.280 369 H C 0.119 175.478 175.328 0.052 0.000 1.038 369 H CA 0.527 56.678 56.048 0.172 0.000 1.186 369 H CB -1.089 28.769 29.762 0.160 0.000 1.339 369 H HN 0.386 nan 8.280 nan 0.000 0.615 370 N N 0.133 118.910 118.700 0.127 0.000 2.676 370 N HA -0.153 4.587 4.740 0.001 0.000 0.290 370 N C -0.831 174.713 175.510 0.058 0.000 1.109 370 N CA 0.936 54.020 53.050 0.058 0.000 0.779 370 N CB -0.418 38.074 38.487 0.008 0.000 0.947 370 N HN 0.301 nan 8.380 nan 0.000 0.566 371 V N -2.251 117.698 119.914 0.059 0.000 3.103 371 V HA 0.859 4.980 4.120 0.001 0.000 0.311 371 V C 0.698 176.805 176.094 0.021 0.000 1.322 371 V CA -0.102 62.223 62.300 0.041 0.000 1.063 371 V CB 2.089 33.944 31.823 0.053 0.000 1.090 371 V HN 0.360 nan 8.190 nan 0.000 0.462 372 T N -2.846 111.715 114.554 0.011 0.000 3.460 372 T HA 0.563 4.914 4.350 0.001 0.000 0.304 372 T C 0.019 174.717 174.700 -0.004 0.000 0.991 372 T CA 0.139 62.240 62.100 0.002 0.000 0.975 372 T CB -0.450 68.418 68.868 0.001 0.000 1.196 372 T HN 0.954 nan 8.240 nan 0.000 0.490 373 S N 0.501 116.198 115.700 -0.005 0.000 2.533 373 S HA 0.779 5.249 4.470 0.001 0.000 0.271 373 S C -0.972 173.617 174.600 -0.018 0.000 1.143 373 S CA -0.658 57.535 58.200 -0.010 0.000 0.891 373 S CB 2.268 65.465 63.200 -0.005 0.000 1.105 373 S HN 0.426 nan 8.310 nan 0.000 0.468 374 T N 1.690 116.229 114.554 -0.024 0.000 2.894 374 T HA 0.622 4.972 4.350 0.001 0.000 0.309 374 T C -1.159 173.524 174.700 -0.028 0.000 1.208 374 T CA -0.631 61.447 62.100 -0.036 0.000 1.016 374 T CB 1.987 70.823 68.868 -0.054 0.000 1.192 374 T HN 0.480 nan 8.240 nan 0.000 0.491 375 T N 2.115 116.651 114.554 -0.030 0.000 2.824 375 T HA 0.631 4.982 4.350 0.001 0.000 0.282 375 T C -0.798 173.890 174.700 -0.020 0.000 0.993 375 T CA -0.483 61.605 62.100 -0.018 0.000 0.967 375 T CB 0.777 69.639 68.868 -0.011 0.000 0.960 375 T HN 0.305 nan 8.240 nan 0.000 0.441 376 I N 2.569 123.138 120.570 -0.001 0.000 2.354 376 I HA 0.383 4.554 4.170 0.001 0.000 0.286 376 I C -0.225 175.918 176.117 0.043 0.000 1.007 376 I CA -0.317 60.995 61.300 0.019 0.000 1.167 376 I CB 0.710 38.745 38.000 0.059 0.000 1.320 376 I HN 0.675 nan 8.210 nan 0.000 0.458 377 C N 5.317 124.651 119.300 0.057 0.000 2.529 377 C HA 0.830 5.290 4.460 0.001 0.000 0.329 377 C C -0.317 174.726 174.990 0.088 0.000 1.194 377 C CA -0.579 58.488 59.018 0.082 0.000 1.779 377 C CB 1.872 29.663 27.740 0.085 0.000 2.322 377 C HN 0.480 nan 8.230 nan 0.000 0.500 378 V N 3.653 123.611 119.914 0.073 0.000 2.532 378 V HA 0.294 4.414 4.120 0.001 0.000 0.294 378 V C -0.686 175.430 176.094 0.038 0.000 1.036 378 V CA -0.385 61.925 62.300 0.017 0.000 0.876 378 V CB 1.459 33.317 31.823 0.059 0.000 1.012 378 V HN 0.917 nan 8.190 nan 0.000 0.432 379 Q N 2.987 122.803 119.800 0.026 0.000 2.681 379 Q HA 0.245 4.586 4.340 0.001 0.000 0.222 379 Q C -0.306 175.737 176.000 0.070 0.000 1.258 379 Q CA -0.126 55.716 55.803 0.065 0.000 1.014 379 Q CB 0.804 29.608 28.738 0.111 0.000 1.384 379 Q HN 0.658 nan 8.270 nan 0.000 0.570 380 D N 2.373 122.811 120.400 0.064 0.000 2.468 380 D HA 0.358 4.999 4.640 0.001 0.000 0.218 380 D C -0.147 176.195 176.300 0.069 0.000 1.155 380 D CA 0.243 54.287 54.000 0.074 0.000 0.924 380 D CB 0.389 41.228 40.800 0.065 0.000 1.029 380 D HN 0.697 nan 8.370 nan 0.000 0.515 381 G N 3.002 111.850 108.800 0.080 0.000 2.402 381 G HA2 -0.151 3.810 3.960 0.001 0.000 0.666 381 G HA3 -0.151 3.810 3.960 0.001 0.000 0.666 381 G C 0.661 175.602 174.900 0.069 0.000 1.402 381 G CA -0.617 44.523 45.100 0.067 0.000 0.920 381 G HN 0.316 nan 8.290 nan 0.000 0.651 382 K N -0.182 120.254 120.400 0.059 0.000 2.020 382 K HA -0.114 4.206 4.320 0.001 0.000 0.212 382 K C 1.688 178.319 176.600 0.051 0.000 1.050 382 K CA 1.910 58.230 56.287 0.056 0.000 0.929 382 K CB -0.104 32.423 32.500 0.045 0.000 0.714 382 K HN 0.572 nan 8.250 nan 0.000 0.443 383 D N 0.371 120.796 120.400 0.042 0.000 2.351 383 D HA -0.121 4.520 4.640 0.001 0.000 0.216 383 D C 1.398 177.720 176.300 0.037 0.000 0.968 383 D CA 0.940 54.961 54.000 0.035 0.000 0.899 383 D CB 0.101 40.918 40.800 0.029 0.000 0.907 383 D HN 0.286 nan 8.370 nan 0.000 0.514 384 A N -0.164 122.683 122.820 0.046 0.000 2.267 384 A HA 0.446 4.766 4.320 0.001 0.000 0.213 384 A C 1.741 179.360 177.584 0.058 0.000 1.192 384 A CA 0.847 52.913 52.037 0.048 0.000 0.851 384 A CB 0.375 19.406 19.000 0.051 0.000 0.881 384 A HN 0.227 nan 8.150 nan 0.000 0.494 385 G N -0.923 107.918 108.800 0.067 0.000 2.148 385 G HA2 -0.222 3.738 3.960 0.001 0.000 0.203 385 G HA3 -0.222 3.738 3.960 0.001 0.000 0.203 385 G C 0.072 175.046 174.900 0.123 0.000 0.993 385 G CA 0.179 45.327 45.100 0.080 0.000 0.661 385 G HN 0.668 nan 8.290 nan 0.000 0.518 386 Q N 1.168 121.050 119.800 0.136 0.000 2.262 386 Q HA 0.445 4.785 4.340 0.001 0.000 0.272 386 Q C 1.745 177.851 176.000 0.176 0.000 1.076 386 Q CA 0.789 56.712 55.803 0.201 0.000 0.905 386 Q CB 0.397 29.250 28.738 0.192 0.000 1.182 386 Q HN 0.496 nan 8.270 nan 0.000 0.390 387 T N 0.194 114.871 114.554 0.204 0.000 3.107 387 T HA 0.178 4.529 4.350 0.001 0.000 0.249 387 T C 0.182 174.934 174.700 0.087 0.000 1.096 387 T CA 0.026 62.204 62.100 0.131 0.000 1.012 387 T CB 0.571 69.512 68.868 0.122 0.000 0.977 387 T HN 0.276 nan 8.240 nan 0.000 0.527 388 V N 2.225 122.187 119.914 0.080 0.000 2.711 388 V HA 0.515 4.635 4.120 0.001 0.000 0.304 388 V C -2.767 173.352 176.094 0.040 0.000 1.097 388 V CA -2.274 60.014 62.300 -0.021 0.000 0.906 388 V CB 2.547 34.164 31.823 -0.344 0.000 1.015 388 V HN 0.011 nan 8.190 nan 0.000 0.427 389 P HA 0.152 nan 4.420 nan 0.000 0.237 389 P C -0.551 176.849 177.300 0.166 0.000 1.701 389 P CA 0.564 63.724 63.100 0.101 0.000 0.955 389 P CB -0.742 30.998 31.700 0.068 0.000 1.937 390 H N 0.723 119.850 119.070 0.094 0.000 3.278 390 H HA 0.102 4.659 4.556 0.001 0.000 0.326 390 H C -0.786 174.761 175.328 0.365 0.000 1.113 390 H CA -0.451 55.717 56.048 0.199 0.000 1.553 390 H CB 1.558 31.438 29.762 0.197 0.000 1.997 390 H HN -0.234 nan 8.280 nan 0.000 0.456 391 V N 6.733 126.799 119.914 0.254 0.000 2.678 391 V HA -0.086 4.035 4.120 0.001 0.000 0.304 391 V C 0.324 176.683 176.094 0.442 0.000 1.086 391 V CA 1.182 63.657 62.300 0.291 0.000 1.246 391 V CB -0.789 31.089 31.823 0.091 0.000 0.861 391 V HN 0.821 nan 8.190 nan 0.000 0.491 392 H N 2.458 121.578 119.070 0.084 0.000 2.947 392 H HA 0.701 5.258 4.556 0.001 0.000 0.354 392 H C -1.130 174.024 175.328 -0.289 0.000 1.085 392 H CA -1.260 54.728 56.048 -0.101 0.000 1.253 392 H CB 1.175 30.914 29.762 -0.038 0.000 1.757 392 H HN 0.438 nan 8.280 nan 0.000 0.523 393 I N 3.841 124.191 120.570 -0.366 0.000 2.325 393 I HA 0.097 4.267 4.170 0.001 0.000 0.291 393 I C -0.022 175.830 176.117 -0.442 0.000 1.019 393 I CA -0.608 60.458 61.300 -0.390 0.000 1.302 393 I CB 0.623 38.394 38.000 -0.382 0.000 1.401 393 I HN 0.617 nan 8.210 nan 0.000 0.485 394 H N 7.706 126.622 119.070 -0.257 0.000 2.864 394 H HA 0.375 4.932 4.556 0.001 0.000 0.281 394 H C -0.219 174.927 175.328 -0.303 0.000 1.093 394 H CA 0.016 55.871 56.048 -0.320 0.000 1.453 394 H CB 0.935 30.573 29.762 -0.206 0.000 1.462 394 H HN 0.414 nan 8.280 nan 0.000 0.480 395 I N 6.458 126.857 120.570 -0.285 0.000 2.371 395 I HA 0.140 4.310 4.170 0.001 0.000 0.282 395 I C -0.179 175.780 176.117 -0.262 0.000 1.031 395 I CA -0.448 60.717 61.300 -0.226 0.000 1.180 395 I CB 0.691 38.557 38.000 -0.222 0.000 1.336 395 I HN 0.273 nan 8.210 nan 0.000 0.467 396 L N 6.474 127.595 121.223 -0.170 0.000 2.372 396 L HA 0.699 5.040 4.340 0.001 0.000 0.273 396 L C -2.692 174.138 176.870 -0.067 0.000 0.989 396 L CA -1.986 52.791 54.840 -0.105 0.000 0.841 396 L CB 1.360 43.426 42.059 0.012 0.000 1.225 396 L HN 0.180 nan 8.230 nan 0.000 0.414 397 P HA 0.190 nan 4.420 nan 0.000 0.269 397 P C -0.910 176.383 177.300 -0.013 0.000 1.209 397 P CA -0.002 63.056 63.100 -0.069 0.000 0.776 397 P CB 1.000 32.625 31.700 -0.125 0.000 0.876 398 R N 1.836 122.335 120.500 -0.001 0.000 2.854 398 R HA 0.577 4.917 4.340 0.001 0.000 0.271 398 R C 0.382 176.696 176.300 0.023 0.000 0.996 398 R CA -0.696 55.412 56.100 0.014 0.000 0.961 398 R CB 2.096 32.399 30.300 0.005 0.000 1.182 398 R HN 0.521 nan 8.270 nan 0.000 0.479 399 R N -0.395 120.120 120.500 0.025 0.000 3.482 399 R HA 0.484 4.825 4.340 0.001 0.000 0.231 399 R C 0.653 176.962 176.300 0.015 0.000 1.451 399 R CA -0.120 55.995 56.100 0.024 0.000 0.961 399 R CB -0.406 29.913 30.300 0.033 0.000 1.579 399 R HN 0.595 nan 8.270 nan 0.000 0.491 400 A N 0.153 122.981 122.820 0.014 0.000 1.887 400 A HA 0.214 4.534 4.320 0.001 0.000 0.212 400 A C 1.777 179.366 177.584 0.008 0.000 1.198 400 A CA 1.388 53.430 52.037 0.009 0.000 0.628 400 A CB -1.264 17.740 19.000 0.007 0.000 0.847 400 A HN 0.558 nan 8.150 nan 0.000 0.449 401 G N 1.215 110.022 108.800 0.011 0.000 2.813 401 G HA2 0.023 3.983 3.960 0.001 0.000 0.208 401 G HA3 0.023 3.983 3.960 0.001 0.000 0.208 401 G C 0.468 175.373 174.900 0.009 0.000 1.395 401 G CA 0.886 45.991 45.100 0.009 0.000 0.849 401 G HN 0.779 nan 8.290 nan 0.000 0.617 425 S N 1.479 117.189 115.700 0.016 0.000 2.429 425 S HA 0.022 4.493 4.470 0.001 0.000 0.292 425 S C 1.052 175.683 174.600 0.052 0.000 1.183 425 S CA -0.422 57.796 58.200 0.031 0.000 1.088 425 S CB 0.883 64.097 63.200 0.024 0.000 1.018 425 S HN 0.616 nan 8.310 nan 0.000 0.511 426 N N 2.594 121.342 118.700 0.081 0.000 2.258 426 N HA -0.153 4.588 4.740 0.001 0.000 0.187 426 N C 1.489 177.109 175.510 0.183 0.000 1.012 426 N CA 1.345 54.490 53.050 0.159 0.000 0.870 426 N CB 0.019 38.597 38.487 0.152 0.000 0.977 426 N HN 0.622 nan 8.380 nan 0.000 0.434 427 E N -0.288 119.974 120.200 0.103 0.000 2.170 427 E HA -0.113 4.238 4.350 0.001 0.000 0.191 427 E C 1.438 178.081 176.600 0.072 0.000 0.981 427 E CA 0.500 56.949 56.400 0.082 0.000 0.830 427 E CB -0.168 29.562 29.700 0.049 0.000 0.775 427 E HN 0.593 nan 8.360 nan 0.000 0.470 428 Q N -0.350 119.482 119.800 0.054 0.000 2.424 428 Q HA 0.117 4.458 4.340 0.001 0.000 0.204 428 Q C 1.910 177.920 176.000 0.017 0.000 0.933 428 Q CA 0.112 55.930 55.803 0.025 0.000 0.929 428 Q CB 0.207 28.951 28.738 0.010 0.000 1.037 428 Q HN 0.171 nan 8.270 nan 0.000 0.511 429 M N -0.755 118.868 119.600 0.038 0.000 2.288 429 M HA -0.005 4.475 4.480 0.001 0.000 0.266 429 M C 1.966 178.316 176.300 0.084 0.000 1.072 429 M CA 1.195 56.478 55.300 -0.028 0.000 1.132 429 M CB 0.135 32.588 32.600 -0.245 0.000 1.386 429 M HN 0.296 nan 8.290 nan 0.000 0.432 430 A N 0.217 123.174 122.820 0.229 0.000 2.119 430 A HA 0.015 4.336 4.320 0.001 0.000 0.216 430 A C 1.993 179.627 177.584 0.084 0.000 1.152 430 A CA 1.521 53.702 52.037 0.239 0.000 0.708 430 A CB -0.830 18.283 19.000 0.188 0.000 0.805 430 A HN 0.521 nan 8.150 nan 0.000 0.460 431 E N 0.295 120.514 120.200 0.033 0.000 2.152 431 E HA -0.164 4.187 4.350 0.001 0.000 0.192 431 E C 1.804 178.341 176.600 -0.104 0.000 0.983 431 E CA 1.354 57.741 56.400 -0.021 0.000 0.818 431 E CB -0.551 29.138 29.700 -0.018 0.000 0.758 431 E HN 0.862 nan 8.360 nan 0.000 0.467 432 E N -0.468 119.640 120.200 -0.152 0.000 2.033 432 E HA 0.068 4.418 4.350 0.001 0.000 0.189 432 E C 2.439 178.736 176.600 -0.506 0.000 0.979 432 E CA 0.776 56.947 56.400 -0.382 0.000 0.802 432 E CB -0.197 29.312 29.700 -0.318 0.000 0.763 432 E HN 0.422 nan 8.360 nan 0.000 0.449 433 A N 1.216 123.926 122.820 -0.184 0.000 1.986 433 A HA -0.200 4.121 4.320 0.001 0.000 0.220 433 A C 2.398 180.000 177.584 0.030 0.000 1.171 433 A CA 2.003 54.047 52.037 0.013 0.000 0.640 433 A CB -1.024 18.131 19.000 0.258 0.000 0.811 433 A HN 0.343 nan 8.150 nan 0.000 0.451 434 V N -2.701 117.203 119.914 -0.016 0.000 2.379 434 V HA -0.145 3.976 4.120 0.001 0.000 0.245 434 V C 2.184 178.270 176.094 -0.013 0.000 1.044 434 V CA 1.894 64.207 62.300 0.021 0.000 1.036 434 V CB -1.392 30.441 31.823 0.016 0.000 0.664 434 V HN 0.208 nan 8.190 nan 0.000 0.453 435 V N -0.174 119.658 119.914 -0.137 0.000 2.295 435 V HA -0.234 3.886 4.120 0.001 0.000 0.246 435 V C 2.600 178.675 176.094 -0.031 0.000 1.049 435 V CA 2.389 64.622 62.300 -0.113 0.000 1.024 435 V CB -1.110 30.586 31.823 -0.211 0.000 0.648 435 V HN 0.530 nan 8.190 nan 0.000 0.447 436 Y N 0.391 120.585 120.300 -0.177 0.000 2.200 436 Y HA -0.132 4.418 4.550 0.001 0.000 0.290 436 Y C 2.645 178.590 175.900 0.075 0.000 1.137 436 Y CA 1.216 59.179 58.100 -0.228 0.000 1.163 436 Y CB -0.940 37.011 38.460 -0.848 0.000 0.988 436 Y HN 0.124 nan 8.280 nan 0.000 0.518 437 R N 0.612 121.316 120.500 0.341 0.000 2.139 437 R HA -0.175 4.165 4.340 0.001 0.000 0.243 437 R C 1.242 177.691 176.300 0.248 0.000 1.145 437 R CA 1.588 57.905 56.100 0.361 0.000 0.976 437 R CB -0.136 30.337 30.300 0.288 0.000 0.866 437 R HN 0.374 nan 8.270 nan 0.000 0.449 438 N N 0.059 118.869 118.700 0.183 0.000 2.412 438 N HA -0.035 4.706 4.740 0.001 0.000 0.184 438 N C 0.926 176.522 175.510 0.144 0.000 1.101 438 N CA 0.599 53.735 53.050 0.143 0.000 0.881 438 N CB 0.404 38.956 38.487 0.108 0.000 0.969 438 N HN 0.304 nan 8.380 nan 0.000 0.459 439 L N -0.600 120.726 121.223 0.171 0.000 2.693 439 L HA 0.278 4.618 4.340 0.001 0.000 0.235 439 L C 0.410 177.355 176.870 0.124 0.000 1.127 439 L CA 0.129 55.056 54.840 0.145 0.000 0.914 439 L CB 0.163 42.321 42.059 0.165 0.000 1.193 439 L HN -0.020 nan 8.230 nan 0.000 0.502 440 M N 0.000 119.704 119.600 0.174 0.000 2.572 440 M HA 0.000 4.481 4.480 0.001 0.000 0.227 440 M CA 0.000 55.383 55.300 0.139 0.000 0.988 440 M CB 0.000 32.758 32.600 0.264 0.000 1.302 440 M HN 0.000 nan 8.290 nan 0.000 0.411