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 1eqb_1_B DATA FIRST_RESID 1 DATA SEQUENCE MLKREMNIAD YDAELWQAME QEKVRQEEHI ELIASENYTS PRVMQAQGSQ DATA SEQUENCE LTNKYAEGYP GKRYFGGCEY VDIVEQLAID RAKELFGADY ANVQPHSGSQ DATA SEQUENCE ANFAVYTALL EPGDTVLGMN LAHGGHLTHG SPVNFSGKLY NIVPYGIDAT DATA SEQUENCE GHIDYADLEK QAKEHKPKMI IGGFSAYSGV VDWAKMREIA DSIGAYLFVD DATA SEQUENCE MAHVAGLVAA GVYPNPVPHA HVVTTTTHKT LAGPRGGLIL AKGGSEELYK DATA SEQUENCE KLNSAVFPGG QGGPLMHVIA GKAVALKEAM EPEFKTYQQQ VAKNAKAMVE DATA SEQUENCE VFLERGYKVV SGGTDNHLFL VDLVDKNLTG KEADAALGRA NITVNKNSVP DATA SEQUENCE NDPKSPFVTS GIRVGTPAIT RRGFKEAEAK ELAGWMCDVL DSINDEAVIE DATA SEQUENCE RIKGKVLDIC ARYPVYA VARS RESID RESNAME ATOMNAME SS_SHIFT SHIFT RC_SHIFT HM_SHIFT EF_SHIFT SIGMA FORMAT %4d %4s %4s %9.3f %9.3f %9.3f %9.3f %9.3f %9.3f 1 M HA 0.000 nan 4.480 nan 0.000 0.227 1 M C 0.000 176.279 176.300 -0.035 0.000 1.140 1 M CA 0.000 55.283 55.300 -0.028 0.000 0.988 1 M CB 0.000 32.586 32.600 -0.024 0.000 1.302 2 L N 3.258 124.456 121.223 -0.042 0.000 2.453 2 L HA 0.241 4.581 4.340 -0.000 0.000 0.272 2 L C 0.115 176.953 176.870 -0.052 0.000 1.182 2 L CA 0.097 54.905 54.840 -0.054 0.000 0.858 2 L CB 0.296 42.318 42.059 -0.063 0.000 1.120 2 L HN 0.505 nan 8.230 nan 0.000 0.474 3 K N 2.520 122.886 120.400 -0.057 0.000 2.201 3 K HA 0.244 4.564 4.320 -0.000 0.000 0.278 3 K C 0.823 177.388 176.600 -0.058 0.000 1.027 3 K CA -0.551 55.705 56.287 -0.052 0.000 0.909 3 K CB 1.121 33.592 32.500 -0.048 0.000 1.062 3 K HN 0.277 nan 8.250 nan 0.000 0.465 4 R N 1.952 122.421 120.500 -0.052 0.000 2.200 4 R HA -0.185 4.155 4.340 -0.000 0.000 0.234 4 R C 0.845 177.110 176.300 -0.057 0.000 1.127 4 R CA 1.435 57.503 56.100 -0.053 0.000 0.989 4 R CB 0.028 30.301 30.300 -0.045 0.000 0.869 4 R HN 0.794 nan 8.270 nan 0.000 0.459 5 E N -0.269 119.897 120.200 -0.056 0.000 2.481 5 E HA -0.009 4.341 4.350 -0.000 0.000 0.195 5 E C 0.194 176.750 176.600 -0.074 0.000 1.047 5 E CA -0.022 56.342 56.400 -0.061 0.000 0.867 5 E CB -0.078 29.591 29.700 -0.051 0.000 0.858 5 E HN 0.160 nan 8.360 nan 0.000 0.513 6 M N 3.172 122.723 119.600 -0.081 0.000 2.307 6 M HA 0.062 4.542 4.480 -0.000 0.000 0.346 6 M C -0.387 175.845 176.300 -0.113 0.000 1.552 6 M CA 0.229 55.469 55.300 -0.101 0.000 1.116 6 M CB -0.039 32.486 32.600 -0.124 0.000 1.889 6 M HN 0.187 nan 8.290 nan 0.000 0.460 7 N N 2.438 121.066 118.700 -0.120 0.000 2.469 7 N HA 0.547 5.287 4.740 -0.000 0.000 0.286 7 N C 0.014 175.437 175.510 -0.145 0.000 1.275 7 N CA -0.931 52.026 53.050 -0.154 0.000 0.790 7 N CB 1.158 39.518 38.487 -0.212 0.000 1.446 7 N HN 0.510 nan 8.380 nan 0.000 0.501 8 I N -0.440 120.019 120.570 -0.185 0.000 2.333 8 I HA -0.058 4.112 4.170 -0.000 0.000 0.246 8 I C 2.385 178.358 176.117 -0.240 0.000 1.106 8 I CA 1.026 62.277 61.300 -0.083 0.000 1.411 8 I CB -0.576 37.481 38.000 0.095 0.000 1.082 8 I HN 0.778 nan 8.210 nan 0.000 0.420 9 A N 1.811 124.143 122.820 -0.813 0.000 1.903 9 A HA -0.307 4.013 4.320 -0.000 0.000 0.219 9 A C 1.836 179.181 177.584 -0.399 0.000 1.191 9 A CA 2.650 54.045 52.037 -1.070 0.000 0.638 9 A CB -0.838 17.305 19.000 -1.427 0.000 0.823 9 A HN 0.629 nan 8.150 nan 0.000 0.451 10 D N -3.493 116.755 120.400 -0.253 0.000 2.340 10 D HA -0.010 4.630 4.640 -0.000 0.000 0.220 10 D C 1.243 177.530 176.300 -0.021 0.000 1.039 10 D CA 0.641 54.574 54.000 -0.112 0.000 0.866 10 D CB -0.309 40.437 40.800 -0.090 0.000 0.913 10 D HN 0.579 nan 8.370 nan 0.000 0.523 11 Y N 0.274 120.505 120.300 -0.114 0.000 2.559 11 Y HA 0.211 4.761 4.550 -0.000 0.000 0.279 11 Y C -0.401 175.482 175.900 -0.029 0.000 1.117 11 Y CA 0.104 58.166 58.100 -0.064 0.000 1.263 11 Y CB 0.864 39.287 38.460 -0.063 0.000 1.230 11 Y HN -0.147 nan 8.280 nan 0.000 0.528 12 D N 0.223 120.660 120.400 0.063 0.000 2.364 12 D HA 0.354 4.994 4.640 -0.000 0.000 0.251 12 D C 0.457 176.828 176.300 0.117 0.000 1.282 12 D CA 0.341 54.369 54.000 0.046 0.000 0.927 12 D CB 1.146 42.063 40.800 0.196 0.000 1.267 12 D HN 0.290 nan 8.370 nan 0.000 0.531 13 A N 2.970 125.834 122.820 0.073 0.000 1.969 13 A HA -0.116 4.204 4.320 -0.000 0.000 0.218 13 A C 1.726 179.408 177.584 0.164 0.000 1.169 13 A CA 1.257 53.385 52.037 0.153 0.000 0.635 13 A CB -0.142 18.909 19.000 0.086 0.000 0.810 13 A HN 0.486 nan 8.150 nan 0.000 0.445 14 E N -0.087 120.169 120.200 0.093 0.000 2.023 14 E HA -0.202 4.148 4.350 -0.000 0.000 0.196 14 E C 1.865 178.516 176.600 0.085 0.000 1.003 14 E CA 1.339 57.780 56.400 0.069 0.000 0.809 14 E CB -0.599 29.125 29.700 0.040 0.000 0.755 14 E HN 0.468 nan 8.360 nan 0.000 0.449 15 L N 0.450 121.740 121.223 0.111 0.000 2.042 15 L HA -0.131 4.209 4.340 -0.000 0.000 0.210 15 L C 2.066 179.024 176.870 0.146 0.000 1.076 15 L CA 1.804 56.713 54.840 0.115 0.000 0.749 15 L CB -0.572 41.570 42.059 0.137 0.000 0.893 15 L HN 0.383 nan 8.230 nan 0.000 0.432 16 W N 0.322 121.632 121.300 0.016 0.000 2.335 16 W HA -0.306 4.354 4.660 -0.000 0.000 0.311 16 W C 2.434 178.957 176.519 0.006 0.000 1.213 16 W CA 1.962 59.315 57.345 0.013 0.000 1.274 16 W CB -0.263 29.206 29.460 0.016 0.000 1.148 16 W HN 0.428 nan 8.180 nan 0.000 0.498 17 Q N 0.524 120.311 119.800 -0.021 0.000 2.061 17 Q HA -0.229 4.111 4.340 -0.000 0.000 0.204 17 Q C 2.396 178.284 176.000 -0.187 0.000 0.984 17 Q CA 2.522 58.246 55.803 -0.131 0.000 0.846 17 Q CB -0.568 28.166 28.738 -0.007 0.000 0.902 17 Q HN 0.218 nan 8.270 nan 0.000 0.421 18 A N 0.668 123.422 122.820 -0.110 0.000 1.908 18 A HA -0.237 4.083 4.320 -0.000 0.000 0.218 18 A C 2.093 179.582 177.584 -0.159 0.000 1.181 18 A CA 1.876 53.853 52.037 -0.101 0.000 0.627 18 A CB -0.632 18.340 19.000 -0.047 0.000 0.818 18 A HN 0.506 nan 8.150 nan 0.000 0.445 19 M N -1.054 118.415 119.600 -0.218 0.000 2.065 19 M HA -0.167 4.313 4.480 -0.000 0.000 0.259 19 M C 2.151 178.232 176.300 -0.365 0.000 1.071 19 M CA 1.625 56.762 55.300 -0.271 0.000 1.109 19 M CB -0.524 31.889 32.600 -0.311 0.000 1.313 19 M HN 0.317 nan 8.290 nan 0.000 0.408 20 E N 0.533 120.382 120.200 -0.585 0.000 2.130 20 E HA -0.227 4.123 4.350 -0.000 0.000 0.196 20 E C 1.936 178.380 176.600 -0.260 0.000 0.998 20 E CA 1.420 57.526 56.400 -0.491 0.000 0.806 20 E CB -0.401 28.953 29.700 -0.576 0.000 0.738 20 E HN 0.632 nan 8.360 nan 0.000 0.459 21 Q N 0.030 119.703 119.800 -0.213 0.000 2.119 21 Q HA -0.177 4.162 4.340 -0.000 0.000 0.201 21 Q C 2.101 178.026 176.000 -0.126 0.000 0.972 21 Q CA 1.291 57.012 55.803 -0.138 0.000 0.847 21 Q CB -0.085 28.588 28.738 -0.108 0.000 0.903 21 Q HN 0.096 nan 8.270 nan 0.000 0.433 22 E N 1.573 121.696 120.200 -0.128 0.000 2.153 22 E HA -0.190 4.160 4.350 -0.000 0.000 0.194 22 E C 1.684 178.236 176.600 -0.080 0.000 0.988 22 E CA 1.316 57.657 56.400 -0.098 0.000 0.811 22 E CB -0.009 29.643 29.700 -0.080 0.000 0.746 22 E HN 0.156 nan 8.360 nan 0.000 0.466 23 K N -0.464 119.876 120.400 -0.100 0.000 2.097 23 K HA -0.082 4.238 4.320 -0.000 0.000 0.206 23 K C 1.862 178.436 176.600 -0.044 0.000 1.049 23 K CA 1.410 57.657 56.287 -0.066 0.000 0.933 23 K CB 0.040 32.471 32.500 -0.115 0.000 0.717 23 K HN 0.088 nan 8.250 nan 0.000 0.442 24 V N 0.963 120.835 119.914 -0.070 0.000 2.488 24 V HA -0.107 4.013 4.120 -0.000 0.000 0.246 24 V C 2.437 178.490 176.094 -0.067 0.000 1.046 24 V CA 1.249 63.517 62.300 -0.052 0.000 1.053 24 V CB -0.446 31.345 31.823 -0.054 0.000 0.679 24 V HN 0.344 nan 8.190 nan 0.000 0.458 25 R N 0.147 120.571 120.500 -0.126 0.000 2.091 25 R HA -0.200 4.140 4.340 -0.000 0.000 0.238 25 R C 2.284 178.480 176.300 -0.174 0.000 1.136 25 R CA 1.809 57.748 56.100 -0.267 0.000 0.959 25 R CB -0.201 29.902 30.300 -0.328 0.000 0.856 25 R HN 0.573 nan 8.270 nan 0.000 0.437 26 Q N -0.527 119.241 119.800 -0.054 0.000 2.291 26 Q HA -0.132 4.208 4.340 -0.000 0.000 0.206 26 Q C 1.568 177.577 176.000 0.015 0.000 0.976 26 Q CA 0.988 56.819 55.803 0.046 0.000 0.875 26 Q CB 0.218 29.020 28.738 0.107 0.000 0.927 26 Q HN 0.317 nan 8.270 nan 0.000 0.450 27 E N 0.446 120.643 120.200 -0.004 0.000 2.166 27 E HA -0.058 4.292 4.350 -0.000 0.000 0.192 27 E C 1.117 177.756 176.600 0.064 0.000 0.967 27 E CA 0.672 57.073 56.400 0.002 0.000 0.840 27 E CB 0.280 29.983 29.700 0.004 0.000 0.795 27 E HN 0.429 nan 8.360 nan 0.000 0.470 28 E N -0.063 120.188 120.200 0.084 0.000 2.489 28 E HA 0.049 4.399 4.350 -0.000 0.000 0.193 28 E C 0.159 176.950 176.600 0.318 0.000 1.057 28 E CA 0.152 56.650 56.400 0.164 0.000 0.866 28 E CB 0.224 30.011 29.700 0.146 0.000 0.916 28 E HN 0.293 nan 8.360 nan 0.000 0.500 29 H N 0.368 119.472 119.070 0.058 0.000 2.524 29 H HA 0.291 4.847 4.556 -0.000 0.000 0.353 29 H C -0.330 175.039 175.328 0.068 0.000 1.136 29 H CA -1.043 55.042 56.048 0.063 0.000 1.193 29 H CB 1.798 31.593 29.762 0.055 0.000 1.558 29 H HN -0.056 nan 8.280 nan 0.000 0.515 30 I N 3.312 123.960 120.570 0.129 0.000 2.281 30 I HA 0.018 4.188 4.170 -0.000 0.000 0.293 30 I C 0.279 176.421 176.117 0.041 0.000 1.085 30 I CA -0.179 61.155 61.300 0.057 0.000 1.257 30 I CB 0.419 38.461 38.000 0.070 0.000 1.430 30 I HN 0.465 nan 8.210 nan 0.000 0.489 31 E N 7.127 127.352 120.200 0.043 0.000 2.180 31 E HA 0.204 4.554 4.350 -0.000 0.000 0.283 31 E C 0.286 176.846 176.600 -0.067 0.000 1.061 31 E CA -0.116 56.286 56.400 0.004 0.000 0.861 31 E CB 1.846 31.534 29.700 -0.021 0.000 1.056 31 E HN 0.512 nan 8.360 nan 0.000 0.407 32 L N 4.007 125.193 121.223 -0.061 0.000 3.168 32 L HA 0.324 4.664 4.340 -0.000 0.000 0.277 32 L C 0.322 177.127 176.870 -0.110 0.000 1.245 32 L CA -0.101 54.682 54.840 -0.095 0.000 1.035 32 L CB 0.354 42.361 42.059 -0.087 0.000 1.399 32 L HN 0.362 nan 8.230 nan 0.000 0.580 33 I N 0.781 121.302 120.570 -0.081 0.000 2.363 33 I HA 0.071 4.241 4.170 -0.000 0.000 0.292 33 I C 1.646 177.737 176.117 -0.044 0.000 1.075 33 I CA -0.116 61.147 61.300 -0.062 0.000 1.333 33 I CB 1.517 39.495 38.000 -0.036 0.000 1.415 33 I HN 0.191 nan 8.210 nan 0.000 0.502 34 A N 4.738 127.546 122.820 -0.020 0.000 1.997 34 A HA -0.214 4.106 4.320 -0.000 0.000 0.221 34 A C 2.193 179.854 177.584 0.129 0.000 1.172 34 A CA 2.314 54.403 52.037 0.087 0.000 0.645 34 A CB -0.500 18.556 19.000 0.093 0.000 0.813 34 A HN 0.797 nan 8.150 nan 0.000 0.454 35 S N -1.207 114.524 115.700 0.050 0.000 2.593 35 S HA 0.210 4.680 4.470 -0.000 0.000 0.217 35 S C 0.414 174.947 174.600 -0.112 0.000 0.966 35 S CA -0.098 58.019 58.200 -0.140 0.000 0.914 35 S CB 0.056 63.201 63.200 -0.092 0.000 0.776 35 S HN 0.636 nan 8.310 nan 0.000 0.523 36 E N 0.748 120.900 120.200 -0.079 0.000 2.243 36 E HA 0.586 4.936 4.350 -0.000 0.000 0.260 36 E C -0.462 176.034 176.600 -0.172 0.000 0.985 36 E CA -0.827 55.513 56.400 -0.101 0.000 0.858 36 E CB 0.862 30.497 29.700 -0.107 0.000 1.210 36 E HN 0.174 nan 8.360 nan 0.000 0.411 37 N N -0.623 117.933 118.700 -0.239 0.000 3.441 37 N HA 0.206 4.946 4.740 -0.000 0.000 0.313 37 N C -2.038 173.225 175.510 -0.412 0.000 1.526 37 N CA -0.464 52.389 53.050 -0.329 0.000 0.871 37 N CB 0.678 39.114 38.487 -0.086 0.000 1.779 37 N HN 0.281 nan 8.380 nan 0.000 0.529 38 Y N 0.327 120.639 120.300 0.019 0.000 2.426 38 Y HA 0.311 4.861 4.550 -0.000 0.000 0.325 38 Y C 0.617 176.565 175.900 0.080 0.000 0.989 38 Y CA -0.566 57.544 58.100 0.017 0.000 1.284 38 Y CB 1.266 39.612 38.460 -0.190 0.000 1.104 38 Y HN 0.284 nan 8.280 nan 0.000 0.481 39 T N 2.146 116.872 114.554 0.287 0.000 2.898 39 T HA 0.291 4.641 4.350 -0.000 0.000 0.301 39 T C 0.573 175.435 174.700 0.269 0.000 1.049 39 T CA -0.373 61.853 62.100 0.211 0.000 1.095 39 T CB 0.312 69.268 68.868 0.147 0.000 0.976 39 T HN 0.753 nan 8.240 nan 0.000 0.539 40 S N 4.104 119.908 115.700 0.172 0.000 2.584 40 S HA 0.251 4.721 4.470 -0.000 0.000 0.270 40 S C -1.826 172.842 174.600 0.113 0.000 1.346 40 S CA -1.018 57.283 58.200 0.169 0.000 1.018 40 S CB 0.577 63.830 63.200 0.088 0.000 0.899 40 S HN 0.554 nan 8.310 nan 0.000 0.542 41 P HA -0.002 nan 4.420 nan 0.000 0.225 41 P C 1.284 178.580 177.300 -0.008 0.000 1.148 41 P CA 0.828 63.915 63.100 -0.022 0.000 0.779 41 P CB 0.066 31.747 31.700 -0.031 0.000 0.780 42 R N -0.795 119.713 120.500 0.014 0.000 2.092 42 R HA -0.028 4.312 4.340 -0.000 0.000 0.231 42 R C 1.935 178.237 176.300 0.004 0.000 1.119 42 R CA 1.104 57.207 56.100 0.005 0.000 0.970 42 R CB -1.082 29.221 30.300 0.006 0.000 0.864 42 R HN 0.144 nan 8.270 nan 0.000 0.440 43 V N 1.335 121.256 119.914 0.013 0.000 2.453 43 V HA -0.198 3.922 4.120 -0.000 0.000 0.247 43 V C 2.306 178.403 176.094 0.005 0.000 1.048 43 V CA 1.569 63.876 62.300 0.011 0.000 1.049 43 V CB -0.328 31.511 31.823 0.026 0.000 0.672 43 V HN 0.291 nan 8.190 nan 0.000 0.457 44 M N -0.679 118.921 119.600 -0.001 0.000 2.132 44 M HA -0.223 4.257 4.480 -0.000 0.000 0.263 44 M C 2.365 178.660 176.300 -0.009 0.000 1.065 44 M CA 1.787 57.080 55.300 -0.013 0.000 1.122 44 M CB -0.518 32.052 32.600 -0.051 0.000 1.365 44 M HN 0.335 nan 8.290 nan 0.000 0.411 45 Q N 0.556 120.349 119.800 -0.013 0.000 2.112 45 Q HA -0.213 4.127 4.340 -0.000 0.000 0.206 45 Q C 2.061 178.062 176.000 0.002 0.000 0.987 45 Q CA 2.114 57.911 55.803 -0.010 0.000 0.858 45 Q CB -0.087 28.644 28.738 -0.012 0.000 0.905 45 Q HN 0.545 nan 8.270 nan 0.000 0.420 46 A N 0.543 123.367 122.820 0.007 0.000 1.858 46 A HA -0.245 4.075 4.320 -0.000 0.000 0.216 46 A C 1.916 179.529 177.584 0.048 0.000 1.190 46 A CA 1.678 53.726 52.037 0.018 0.000 0.617 46 A CB -0.694 18.311 19.000 0.008 0.000 0.827 46 A HN 0.527 nan 8.150 nan 0.000 0.443 47 Q N -1.019 118.808 119.800 0.045 0.000 2.297 47 Q HA -0.116 4.224 4.340 -0.000 0.000 0.208 47 Q C 1.571 177.657 176.000 0.143 0.000 0.981 47 Q CA 0.946 56.812 55.803 0.104 0.000 0.876 47 Q CB -0.287 28.476 28.738 0.042 0.000 0.921 47 Q HN 0.670 nan 8.270 nan 0.000 0.446 48 G N 0.387 109.220 108.800 0.056 0.000 3.434 48 G HA2 0.080 4.040 3.960 -0.000 0.000 0.258 48 G HA3 0.080 4.040 3.960 -0.000 0.000 0.258 48 G C 0.216 175.111 174.900 -0.010 0.000 1.128 48 G CA 0.015 45.126 45.100 0.018 0.000 0.792 48 G HN 0.255 nan 8.290 nan 0.000 0.539 49 S N -1.032 114.669 115.700 0.002 0.000 2.686 49 S HA 0.218 4.688 4.470 -0.000 0.000 0.270 49 S C 1.001 175.565 174.600 -0.061 0.000 1.194 49 S CA -0.464 57.724 58.200 -0.021 0.000 0.990 49 S CB 1.218 64.419 63.200 0.001 0.000 1.029 49 S HN 0.217 nan 8.310 nan 0.000 0.560 50 Q N -0.142 119.623 119.800 -0.058 0.000 2.482 50 Q HA 0.170 4.510 4.340 -0.000 0.000 0.209 50 Q C 1.380 177.330 176.000 -0.083 0.000 0.961 50 Q CA 0.258 56.014 55.803 -0.078 0.000 0.945 50 Q CB -0.584 28.119 28.738 -0.059 0.000 1.012 50 Q HN 0.630 nan 8.270 nan 0.000 0.515 51 L N -0.171 121.019 121.223 -0.055 0.000 2.456 51 L HA -0.114 4.226 4.340 -0.000 0.000 0.224 51 L C 2.335 179.148 176.870 -0.096 0.000 1.148 51 L CA 0.880 55.702 54.840 -0.030 0.000 0.825 51 L CB -0.537 41.546 42.059 0.039 0.000 0.937 51 L HN 0.202 nan 8.230 nan 0.000 0.450 52 T N -0.457 113.929 114.554 -0.280 0.000 3.072 52 T HA -0.072 4.278 4.350 -0.000 0.000 0.266 52 T C 1.591 176.110 174.700 -0.302 0.000 1.127 52 T CA 1.035 62.795 62.100 -0.566 0.000 1.107 52 T CB -0.139 68.208 68.868 -0.868 0.000 0.910 52 T HN 0.333 nan 8.240 nan 0.000 0.513 53 N N 0.751 119.336 118.700 -0.192 0.000 2.416 53 N HA 0.061 4.801 4.740 -0.000 0.000 0.177 53 N C 0.580 176.020 175.510 -0.117 0.000 1.036 53 N CA 0.428 53.397 53.050 -0.135 0.000 0.901 53 N CB 0.040 38.474 38.487 -0.090 0.000 0.976 53 N HN 0.234 nan 8.380 nan 0.000 0.444 54 K N 0.921 121.249 120.400 -0.120 0.000 2.276 54 K HA 0.109 4.429 4.320 -0.000 0.000 0.283 54 K C -0.994 175.468 176.600 -0.229 0.000 1.044 54 K CA -0.317 55.900 56.287 -0.117 0.000 0.944 54 K CB 0.174 32.634 32.500 -0.067 0.000 1.012 54 K HN -0.012 nan 8.250 nan 0.000 0.472 55 Y N 0.811 120.909 120.300 -0.337 0.000 2.341 55 Y HA 0.348 4.898 4.550 -0.000 0.000 0.340 55 Y C 0.157 175.683 175.900 -0.623 0.000 0.997 55 Y CA -0.325 57.410 58.100 -0.607 0.000 1.149 55 Y CB 1.494 39.310 38.460 -1.073 0.000 1.171 55 Y HN 0.606 nan 8.280 nan 0.000 0.494 56 A N 4.940 127.596 122.820 -0.273 0.000 3.355 56 A HA 0.309 4.629 4.320 -0.000 0.000 0.290 56 A C -0.457 177.084 177.584 -0.071 0.000 0.973 56 A CA -0.656 51.327 52.037 -0.091 0.000 0.933 56 A CB -0.221 18.723 19.000 -0.093 0.000 1.138 56 A HN 0.773 nan 8.150 nan 0.000 0.490 57 E N 0.384 120.637 120.200 0.089 0.000 2.392 57 E HA 0.442 4.792 4.350 -0.000 0.000 0.264 57 E C 0.922 177.418 176.600 -0.174 0.000 1.024 57 E CA 1.021 57.248 56.400 -0.288 0.000 0.903 57 E CB 0.822 30.418 29.700 -0.174 0.000 0.963 57 E HN 1.101 nan 8.360 nan 0.000 0.432 58 G N 1.251 109.716 108.800 -0.559 0.000 2.472 58 G HA2 -0.204 3.756 3.960 -0.000 0.000 0.205 58 G HA3 -0.204 3.756 3.960 -0.000 0.000 0.205 58 G C -1.510 173.137 174.900 -0.421 0.000 1.270 58 G CA -0.780 44.306 45.100 -0.024 0.000 0.974 58 G HN 0.420 nan 8.290 nan 0.000 0.542 59 Y N 0.722 121.097 120.300 0.125 0.000 2.602 59 Y HA 0.617 5.167 4.550 -0.000 0.000 0.342 59 Y C -1.775 174.151 175.900 0.043 0.000 1.029 59 Y CA -1.649 56.493 58.100 0.069 0.000 1.080 59 Y CB 2.074 40.585 38.460 0.084 0.000 1.284 59 Y HN 0.454 nan 8.280 nan 0.000 0.485 60 P HA 0.008 nan 4.420 nan 0.000 0.256 60 P C 0.682 178.029 177.300 0.079 0.000 1.173 60 P CA 1.995 65.143 63.100 0.080 0.000 0.768 60 P CB 0.299 32.035 31.700 0.060 0.000 0.758 61 G N 1.847 110.675 108.800 0.046 0.000 2.308 61 G HA2 -0.223 3.737 3.960 -0.000 0.000 0.221 61 G HA3 -0.223 3.737 3.960 -0.000 0.000 0.221 61 G C 0.442 175.362 174.900 0.034 0.000 1.032 61 G CA 0.241 45.361 45.100 0.032 0.000 0.623 61 G HN 0.867 nan 8.290 nan 0.000 0.506 62 K N 1.119 121.563 120.400 0.072 0.000 2.800 62 K HA 0.721 5.041 4.320 -0.000 0.000 0.185 62 K C 0.458 177.097 176.600 0.065 0.000 1.082 62 K CA -0.420 55.900 56.287 0.055 0.000 0.978 62 K CB 0.185 32.751 32.500 0.111 0.000 1.364 62 K HN 0.456 nan 8.250 nan 0.000 0.592 63 R N -0.510 120.006 120.500 0.026 0.000 2.553 63 R HA 0.453 4.793 4.340 -0.000 0.000 0.263 63 R C -0.289 176.009 176.300 -0.003 0.000 1.066 63 R CA -0.622 55.534 56.100 0.093 0.000 1.135 63 R CB 0.469 30.839 30.300 0.117 0.000 1.148 63 R HN 0.504 nan 8.270 nan 0.000 0.558 64 Y N -0.553 119.805 120.300 0.096 0.000 2.507 64 Y HA 0.295 4.845 4.550 -0.000 0.000 0.254 64 Y C -0.378 175.265 175.900 -0.429 0.000 1.171 64 Y CA 0.046 58.071 58.100 -0.125 0.000 1.238 64 Y CB 0.417 38.778 38.460 -0.165 0.000 1.148 64 Y HN 0.296 nan 8.280 nan 0.000 0.525 65 F N -1.373 118.638 119.950 0.102 0.000 2.613 65 F HA 0.679 5.206 4.527 0.000 0.000 0.314 65 F C 0.693 176.507 175.800 0.024 0.000 1.075 65 F CA -1.720 56.316 58.000 0.059 0.000 0.945 65 F CB 0.901 39.946 39.000 0.074 0.000 1.310 65 F HN -0.210 nan 8.300 nan 0.000 0.467 66 G N -0.698 108.225 108.800 0.206 0.000 2.502 66 G HA2 0.464 4.424 3.960 -0.000 0.000 0.305 66 G HA3 0.464 4.424 3.960 -0.000 0.000 0.305 66 G C 0.539 175.497 174.900 0.097 0.000 1.190 66 G CA -0.316 44.847 45.100 0.105 0.000 0.933 66 G HN 1.507 nan 8.290 nan 0.000 0.503 67 G N -1.909 106.916 108.800 0.042 0.000 2.160 67 G HA2 -0.252 3.708 3.960 -0.000 0.000 0.244 67 G HA3 -0.252 3.708 3.960 -0.000 0.000 0.244 67 G C 0.563 175.463 174.900 0.001 0.000 1.022 67 G CA 0.341 45.456 45.100 0.025 0.000 0.741 67 G HN 1.005 nan 8.290 nan 0.000 0.508 68 C N 0.401 119.688 119.300 -0.022 0.000 2.404 68 C HA 0.418 4.878 4.460 -0.000 0.000 0.325 68 C C 1.931 176.844 174.990 -0.128 0.000 1.363 68 C CA -0.029 58.966 59.018 -0.038 0.000 1.775 68 C CB -0.665 27.079 27.740 0.007 0.000 2.254 68 C HN 0.622 nan 8.230 nan 0.000 0.568 69 E N 0.454 120.480 120.200 -0.290 0.000 2.072 69 E HA -0.117 4.233 4.350 -0.000 0.000 0.190 69 E C 1.084 177.353 176.600 -0.551 0.000 0.982 69 E CA 1.527 57.623 56.400 -0.506 0.000 0.803 69 E CB -0.162 29.039 29.700 -0.830 0.000 0.755 69 E HN 0.710 nan 8.360 nan 0.000 0.453 70 Y N -0.388 119.914 120.300 0.003 0.000 2.397 70 Y HA 0.014 4.564 4.550 -0.000 0.000 0.292 70 Y C 2.215 178.112 175.900 -0.005 0.000 1.115 70 Y CA 0.498 58.597 58.100 -0.002 0.000 1.208 70 Y CB -0.585 37.872 38.460 -0.004 0.000 1.046 70 Y HN 0.002 nan 8.280 nan 0.000 0.552 71 V N -2.452 117.508 119.914 0.077 0.000 2.809 71 V HA -0.128 3.992 4.120 -0.000 0.000 0.256 71 V C 1.384 177.484 176.094 0.009 0.000 1.080 71 V CA 1.900 64.222 62.300 0.038 0.000 1.102 71 V CB -0.384 31.443 31.823 0.008 0.000 0.705 71 V HN 0.096 nan 8.190 nan 0.000 0.475 72 D N 0.815 121.208 120.400 -0.011 0.000 2.149 72 D HA 0.022 4.662 4.640 -0.000 0.000 0.201 72 D C 2.013 178.315 176.300 0.003 0.000 0.972 72 D CA 1.476 55.469 54.000 -0.012 0.000 0.835 72 D CB -0.181 40.598 40.800 -0.035 0.000 0.966 72 D HN 0.495 nan 8.370 nan 0.000 0.476 73 I N -0.065 120.514 120.570 0.015 0.000 2.252 73 I HA -0.221 3.949 4.170 -0.000 0.000 0.245 73 I C 2.225 178.360 176.117 0.030 0.000 1.102 73 I CA 0.522 61.842 61.300 0.033 0.000 1.385 73 I CB -0.095 37.949 38.000 0.072 0.000 1.064 73 I HN -0.084 nan 8.210 nan 0.000 0.414 74 V N 0.742 120.677 119.914 0.036 0.000 2.255 74 V HA -0.340 3.780 4.120 -0.000 0.000 0.247 74 V C 2.474 178.572 176.094 0.006 0.000 1.051 74 V CA 2.332 64.646 62.300 0.022 0.000 1.018 74 V CB -0.703 31.134 31.823 0.025 0.000 0.641 74 V HN 0.495 nan 8.190 nan 0.000 0.445 75 E N -0.420 119.781 120.200 0.002 0.000 2.110 75 E HA -0.309 4.040 4.350 -0.000 0.000 0.193 75 E C 2.234 178.833 176.600 -0.001 0.000 0.988 75 E CA 1.382 57.779 56.400 -0.005 0.000 0.804 75 E CB -0.041 29.654 29.700 -0.008 0.000 0.745 75 E HN 0.557 nan 8.360 nan 0.000 0.458 76 Q N 0.579 120.382 119.800 0.005 0.000 2.079 76 Q HA -0.090 4.250 4.340 -0.000 0.000 0.200 76 Q C 2.107 178.103 176.000 -0.006 0.000 0.974 76 Q CA 1.275 57.079 55.803 0.002 0.000 0.840 76 Q CB -0.234 28.509 28.738 0.008 0.000 0.898 76 Q HN 0.376 nan 8.270 nan 0.000 0.430 77 L N -0.435 120.787 121.223 -0.002 0.000 2.012 77 L HA -0.212 4.128 4.340 -0.000 0.000 0.210 77 L C 2.312 179.173 176.870 -0.014 0.000 1.073 77 L CA 1.263 56.099 54.840 -0.007 0.000 0.748 77 L CB -0.732 41.326 42.059 -0.003 0.000 0.891 77 L HN 0.317 nan 8.230 nan 0.000 0.431 78 A N 0.092 122.903 122.820 -0.015 0.000 1.902 78 A HA -0.188 4.132 4.320 -0.000 0.000 0.217 78 A C 2.178 179.748 177.584 -0.024 0.000 1.181 78 A CA 1.521 53.547 52.037 -0.018 0.000 0.623 78 A CB -0.634 18.355 19.000 -0.019 0.000 0.818 78 A HN 0.366 nan 8.150 nan 0.000 0.443 79 I N -0.158 120.392 120.570 -0.033 0.000 2.179 79 I HA -0.238 3.932 4.170 -0.000 0.000 0.242 79 I C 1.927 178.014 176.117 -0.050 0.000 1.088 79 I CA 1.548 62.812 61.300 -0.059 0.000 1.357 79 I CB -0.492 37.465 38.000 -0.071 0.000 1.051 79 I HN 0.269 nan 8.210 nan 0.000 0.409 80 D N 0.783 121.163 120.400 -0.034 0.000 2.097 80 D HA -0.139 4.501 4.640 -0.000 0.000 0.195 80 D C 2.332 178.619 176.300 -0.020 0.000 0.989 80 D CA 1.080 55.065 54.000 -0.025 0.000 0.827 80 D CB -0.272 40.518 40.800 -0.017 0.000 0.966 80 D HN 0.326 nan 8.370 nan 0.000 0.456 81 R N 1.026 121.512 120.500 -0.022 0.000 2.081 81 R HA -0.001 4.339 4.340 -0.000 0.000 0.235 81 R C 2.295 178.586 176.300 -0.015 0.000 1.131 81 R CA 1.074 57.157 56.100 -0.030 0.000 0.960 81 R CB -0.660 29.616 30.300 -0.040 0.000 0.856 81 R HN 0.105 nan 8.270 nan 0.000 0.436 82 A N 2.281 125.109 122.820 0.014 0.000 1.908 82 A HA -0.190 4.130 4.320 -0.000 0.000 0.218 82 A C 2.111 179.772 177.584 0.128 0.000 1.181 82 A CA 1.521 53.615 52.037 0.095 0.000 0.627 82 A CB -0.307 18.728 19.000 0.058 0.000 0.818 82 A HN 0.252 nan 8.150 nan 0.000 0.445 83 K N -0.786 119.639 120.400 0.042 0.000 2.057 83 K HA -0.159 4.161 4.320 -0.000 0.000 0.206 83 K C 2.130 178.759 176.600 0.047 0.000 1.050 83 K CA 1.469 57.780 56.287 0.041 0.000 0.935 83 K CB -0.149 32.346 32.500 -0.008 0.000 0.715 83 K HN 0.712 nan 8.250 nan 0.000 0.439 84 E N 1.072 121.278 120.200 0.010 0.000 2.106 84 E HA -0.172 4.178 4.350 -0.000 0.000 0.192 84 E C 2.000 178.571 176.600 -0.048 0.000 0.984 84 E CA 0.504 56.897 56.400 -0.011 0.000 0.806 84 E CB 0.075 29.760 29.700 -0.024 0.000 0.750 84 E HN 0.077 nan 8.360 nan 0.000 0.458 85 L N -0.301 120.858 121.223 -0.106 0.000 2.141 85 L HA -0.049 4.291 4.340 -0.000 0.000 0.209 85 L C 1.246 177.873 176.870 -0.405 0.000 1.094 85 L CA 1.616 56.279 54.840 -0.295 0.000 0.763 85 L CB -0.122 41.662 42.059 -0.458 0.000 0.908 85 L HN 0.149 nan 8.230 nan 0.000 0.437 86 F N -0.547 119.407 119.950 0.006 0.000 2.704 86 F HA 0.434 4.961 4.527 -0.000 0.000 0.304 86 F C 1.733 177.542 175.800 0.014 0.000 1.094 86 F CA 0.235 58.245 58.000 0.016 0.000 1.275 86 F CB -0.083 38.920 39.000 0.005 0.000 1.073 86 F HN 0.081 nan 8.300 nan 0.000 0.586 87 G N 1.103 109.988 108.800 0.142 0.000 2.160 87 G HA2 -0.065 3.895 3.960 -0.000 0.000 0.244 87 G HA3 -0.065 3.895 3.960 -0.000 0.000 0.244 87 G C 0.188 175.140 174.900 0.086 0.000 1.022 87 G CA 0.028 45.184 45.100 0.092 0.000 0.741 87 G HN 0.641 nan 8.290 nan 0.000 0.508 88 A N -0.454 122.423 122.820 0.094 0.000 2.269 88 A HA 0.747 5.067 4.320 -0.000 0.000 0.319 88 A C 0.888 178.501 177.584 0.048 0.000 1.110 88 A CA 0.402 52.480 52.037 0.067 0.000 0.847 88 A CB 0.772 19.804 19.000 0.053 0.000 1.161 88 A HN 0.644 nan 8.150 nan 0.000 0.497 89 D N -2.000 118.436 120.400 0.059 0.000 2.433 89 D HA 0.195 4.835 4.640 -0.000 0.000 0.211 89 D C -0.444 175.864 176.300 0.013 0.000 1.114 89 D CA 0.221 54.259 54.000 0.063 0.000 0.837 89 D CB 0.021 40.898 40.800 0.128 0.000 0.984 89 D HN 0.382 nan 8.370 nan 0.000 0.505 90 Y N 0.692 120.845 120.300 -0.245 0.000 2.470 90 Y HA 0.622 5.172 4.550 -0.000 0.000 0.341 90 Y C -1.951 173.777 175.900 -0.286 0.000 1.021 90 Y CA -1.143 56.683 58.100 -0.456 0.000 1.025 90 Y CB 1.793 39.515 38.460 -1.230 0.000 1.266 90 Y HN 0.070 nan 8.280 nan 0.000 0.448 91 A N 5.035 127.206 122.820 -1.082 0.000 2.547 91 A HA 0.529 4.849 4.320 -0.000 0.000 0.297 91 A C -2.091 175.024 177.584 -0.783 0.000 1.056 91 A CA -0.845 50.770 52.037 -0.704 0.000 0.688 91 A CB 1.603 20.427 19.000 -0.294 0.000 1.282 91 A HN 0.685 nan 8.150 nan 0.000 0.400 92 N N 1.759 120.193 118.700 -0.444 0.000 2.448 92 N HA 0.365 5.105 4.740 -0.000 0.000 0.279 92 N C 0.046 175.517 175.510 -0.064 0.000 1.025 92 N CA -0.043 52.894 53.050 -0.188 0.000 0.898 92 N CB 2.022 40.500 38.487 -0.014 0.000 1.303 92 N HN 0.897 nan 8.380 nan 0.000 0.495 93 V N 1.251 121.145 119.914 -0.033 0.000 3.444 93 V HA 0.239 4.359 4.120 -0.000 0.000 0.308 93 V C 1.213 177.290 176.094 -0.028 0.000 1.371 93 V CA 0.304 62.588 62.300 -0.026 0.000 1.141 93 V CB -0.022 31.782 31.823 -0.030 0.000 1.037 93 V HN 0.541 nan 8.190 nan 0.000 0.433 94 Q N 0.470 120.256 119.800 -0.023 0.000 2.376 94 Q HA 0.195 4.535 4.340 -0.000 0.000 0.206 94 Q C -1.600 174.303 176.000 -0.163 0.000 0.921 94 Q CA -0.545 55.203 55.803 -0.092 0.000 0.911 94 Q CB -0.748 27.920 28.738 -0.117 0.000 1.032 94 Q HN 0.540 nan 8.270 nan 0.000 0.510 95 P HA -0.132 nan 4.420 nan 0.000 0.261 95 P C -0.108 177.137 177.300 -0.092 0.000 1.173 95 P CA 0.693 63.732 63.100 -0.102 0.000 0.760 95 P CB 0.391 32.101 31.700 0.016 0.000 0.783 96 H N 0.548 119.627 119.070 0.015 0.000 2.521 96 H HA 0.025 4.581 4.556 -0.000 0.000 0.286 96 H C 1.060 176.385 175.328 -0.004 0.000 1.034 96 H CA 1.143 57.181 56.048 -0.016 0.000 1.278 96 H CB 0.130 29.876 29.762 -0.026 0.000 1.386 96 H HN 0.510 nan 8.280 nan 0.000 0.567 97 S N -2.811 112.972 115.700 0.137 0.000 2.683 97 S HA 0.376 4.846 4.470 -0.000 0.000 0.269 97 S C 1.324 176.017 174.600 0.155 0.000 1.165 97 S CA -0.377 57.903 58.200 0.133 0.000 0.840 97 S CB 0.951 64.225 63.200 0.123 0.000 1.169 97 S HN 0.087 nan 8.310 nan 0.000 0.490 98 G N 1.066 109.971 108.800 0.175 0.000 2.402 98 G HA2 -0.029 3.930 3.960 -0.000 0.000 0.216 98 G HA3 -0.029 3.930 3.960 -0.000 0.000 0.216 98 G C 1.303 176.331 174.900 0.215 0.000 1.162 98 G CA 1.167 46.353 45.100 0.144 0.000 0.777 98 G HN 0.750 nan 8.290 nan 0.000 0.539 99 S N 0.454 116.305 115.700 0.252 0.000 2.359 99 S HA -0.150 4.320 4.470 -0.000 0.000 0.224 99 S C 2.431 177.267 174.600 0.393 0.000 1.035 99 S CA 1.602 60.031 58.200 0.382 0.000 1.018 99 S CB -0.250 63.165 63.200 0.359 0.000 0.876 99 S HN 0.319 nan 8.310 nan 0.000 0.448 100 Q N 1.163 121.112 119.800 0.249 0.000 2.084 100 Q HA 0.118 4.458 4.340 -0.000 0.000 0.202 100 Q C 2.356 178.500 176.000 0.240 0.000 0.978 100 Q CA 1.515 57.435 55.803 0.194 0.000 0.844 100 Q CB -0.767 28.036 28.738 0.108 0.000 0.898 100 Q HN 0.548 nan 8.270 nan 0.000 0.426 101 A N 0.755 123.699 122.820 0.206 0.000 1.877 101 A HA -0.236 4.084 4.320 -0.000 0.000 0.216 101 A C 1.834 179.556 177.584 0.230 0.000 1.186 101 A CA 1.805 53.949 52.037 0.178 0.000 0.620 101 A CB -0.660 18.426 19.000 0.144 0.000 0.822 101 A HN 0.348 nan 8.150 nan 0.000 0.443 102 N N -0.905 118.016 118.700 0.368 0.000 2.120 102 N HA -0.142 4.598 4.740 -0.000 0.000 0.188 102 N C 1.407 177.276 175.510 0.599 0.000 1.024 102 N CA 1.514 54.869 53.050 0.509 0.000 0.852 102 N CB -0.694 38.238 38.487 0.741 0.000 1.003 102 N HN 0.547 nan 8.380 nan 0.000 0.424 103 F N 1.615 121.842 119.950 0.461 0.000 2.161 103 F HA -0.161 4.366 4.527 -0.000 0.000 0.300 103 F C 2.124 178.006 175.800 0.137 0.000 1.089 103 F CA 1.387 59.509 58.000 0.203 0.000 1.282 103 F CB -0.275 38.542 39.000 -0.305 0.000 1.010 103 F HN 0.049 nan 8.300 nan 0.000 0.485 104 A N -0.106 122.835 122.820 0.203 0.000 1.877 104 A HA -0.142 4.178 4.320 -0.000 0.000 0.216 104 A C 2.299 179.813 177.584 -0.116 0.000 1.186 104 A CA 2.004 54.070 52.037 0.048 0.000 0.620 104 A CB -1.411 17.650 19.000 0.102 0.000 0.822 104 A HN 0.258 nan 8.150 nan 0.000 0.443 105 V N -1.299 118.498 119.914 -0.195 0.000 2.332 105 V HA -0.324 3.796 4.120 -0.000 0.000 0.248 105 V C 2.352 178.164 176.094 -0.470 0.000 1.055 105 V CA 2.142 64.159 62.300 -0.472 0.000 1.038 105 V CB -1.114 30.105 31.823 -1.006 0.000 0.651 105 V HN 0.659 nan 8.190 nan 0.000 0.450 106 Y N 1.420 121.497 120.300 -0.371 0.000 2.089 106 Y HA -0.265 4.285 4.550 -0.000 0.000 0.282 106 Y C 2.999 178.707 175.900 -0.319 0.000 1.139 106 Y CA 2.172 60.058 58.100 -0.357 0.000 1.123 106 Y CB -1.028 37.315 38.460 -0.195 0.000 0.980 106 Y HN 0.421 nan 8.280 nan 0.000 0.493 107 T N -2.372 112.078 114.554 -0.173 0.000 3.007 107 T HA -0.067 4.283 4.350 -0.000 0.000 0.270 107 T C 1.760 176.383 174.700 -0.128 0.000 1.107 107 T CA 0.875 62.869 62.100 -0.176 0.000 1.118 107 T CB -0.431 68.224 68.868 -0.355 0.000 0.889 107 T HN 0.314 nan 8.240 nan 0.000 0.506 108 A N 0.579 123.298 122.820 -0.168 0.000 2.095 108 A HA 0.532 4.852 4.320 -0.000 0.000 0.212 108 A C 2.075 179.542 177.584 -0.195 0.000 1.162 108 A CA 0.220 52.162 52.037 -0.157 0.000 0.753 108 A CB -0.171 18.729 19.000 -0.168 0.000 0.840 108 A HN 0.534 nan 8.150 nan 0.000 0.468 109 L N -1.233 119.836 121.223 -0.256 0.000 2.749 109 L HA 0.380 4.720 4.340 -0.000 0.000 0.242 109 L C -0.027 176.769 176.870 -0.124 0.000 1.103 109 L CA 0.064 54.725 54.840 -0.299 0.000 0.906 109 L CB 0.234 41.915 42.059 -0.629 0.000 1.228 109 L HN 0.158 nan 8.230 nan 0.000 0.517 110 L N -0.964 120.200 121.223 -0.098 0.000 2.279 110 L HA 0.534 4.874 4.340 -0.000 0.000 0.262 110 L C -0.463 176.472 176.870 0.108 0.000 1.019 110 L CA -0.844 53.993 54.840 -0.005 0.000 0.823 110 L CB 1.877 43.858 42.059 -0.131 0.000 1.358 110 L HN -0.171 nan 8.230 nan 0.000 0.432 111 E N 0.743 121.047 120.200 0.174 0.000 2.195 111 E HA 0.390 4.740 4.350 -0.000 0.000 0.271 111 E C -2.464 174.310 176.600 0.289 0.000 0.923 111 E CA -2.139 54.369 56.400 0.179 0.000 0.790 111 E CB 1.759 31.523 29.700 0.106 0.000 1.155 111 E HN 0.177 nan 8.360 nan 0.000 0.402 112 P HA 0.010 nan 4.420 nan 0.000 0.261 112 P C 0.650 177.988 177.300 0.063 0.000 1.173 112 P CA 1.175 64.273 63.100 -0.003 0.000 0.760 112 P CB 0.364 32.017 31.700 -0.078 0.000 0.783 113 G N 1.896 110.744 108.800 0.080 0.000 2.194 113 G HA2 -0.180 3.780 3.960 -0.000 0.000 0.236 113 G HA3 -0.180 3.780 3.960 -0.000 0.000 0.236 113 G C 0.061 175.073 174.900 0.186 0.000 0.987 113 G CA -0.366 44.800 45.100 0.109 0.000 0.635 113 G HN 0.480 nan 8.290 nan 0.000 0.520 114 D N 1.276 121.848 120.400 0.288 0.000 2.368 114 D HA 0.462 5.102 4.640 -0.000 0.000 0.240 114 D C 0.749 177.165 176.300 0.193 0.000 1.169 114 D CA 0.711 54.834 54.000 0.204 0.000 0.906 114 D CB 0.687 41.588 40.800 0.168 0.000 1.187 114 D HN 0.105 nan 8.370 nan 0.000 0.435 115 T N 0.715 115.346 114.554 0.128 0.000 2.817 115 T HA 0.433 4.783 4.350 -0.000 0.000 0.293 115 T C -0.024 174.733 174.700 0.096 0.000 0.964 115 T CA -0.524 61.642 62.100 0.109 0.000 1.085 115 T CB 0.881 69.805 68.868 0.093 0.000 0.921 115 T HN -0.016 nan 8.240 nan 0.000 0.502 116 V N 3.944 123.917 119.914 0.099 0.000 2.709 116 V HA 0.475 4.595 4.120 -0.000 0.000 0.308 116 V C -0.760 175.387 176.094 0.088 0.000 1.062 116 V CA -0.978 61.380 62.300 0.097 0.000 0.901 116 V CB 2.065 33.967 31.823 0.132 0.000 1.003 116 V HN 0.669 nan 8.190 nan 0.000 0.425 117 L N 4.272 125.559 121.223 0.107 0.000 2.277 117 L HA 0.890 5.230 4.340 -0.000 0.000 0.284 117 L C 0.286 177.265 176.870 0.182 0.000 1.028 117 L CA 0.488 55.416 54.840 0.145 0.000 0.835 117 L CB 0.611 42.773 42.059 0.171 0.000 1.215 117 L HN 0.777 nan 8.230 nan 0.000 0.425 118 G N 4.105 112.934 108.800 0.048 0.000 2.574 118 G HA2 0.435 4.395 3.960 -0.000 0.000 0.299 118 G HA3 0.435 4.395 3.960 -0.000 0.000 0.299 118 G C -1.154 173.344 174.900 -0.670 0.000 1.298 118 G CA -0.895 44.116 45.100 -0.147 0.000 0.952 118 G HN 0.572 nan 8.290 nan 0.000 0.477 119 M N 2.337 121.373 119.600 -0.941 0.000 2.227 119 M HA 0.131 4.610 4.480 -0.000 0.000 0.349 119 M C 0.659 176.729 176.300 -0.384 0.000 1.443 119 M CA -0.614 54.056 55.300 -1.049 0.000 1.110 119 M CB 0.295 32.548 32.600 -0.578 0.000 1.773 119 M HN 0.639 nan 8.290 nan 0.000 0.463 120 N N 4.147 122.635 118.700 -0.353 0.000 2.353 120 N HA -0.087 4.653 4.740 -0.000 0.000 0.248 120 N C 0.632 176.112 175.510 -0.050 0.000 1.240 120 N CA 0.234 53.179 53.050 -0.176 0.000 0.862 120 N CB 0.719 39.062 38.487 -0.240 0.000 1.086 120 N HN 0.960 nan 8.380 nan 0.000 0.453 121 L N 4.348 125.555 121.223 -0.025 0.000 2.017 121 L HA -0.181 4.159 4.340 -0.000 0.000 0.208 121 L C 2.286 179.181 176.870 0.042 0.000 1.073 121 L CA 1.953 56.791 54.840 -0.002 0.000 0.745 121 L CB -0.464 41.572 42.059 -0.038 0.000 0.894 121 L HN 0.782 nan 8.230 nan 0.000 0.432 122 A N -1.616 121.249 122.820 0.074 0.000 2.019 122 A HA -0.244 4.076 4.320 -0.000 0.000 0.219 122 A C 1.914 179.562 177.584 0.106 0.000 1.164 122 A CA 1.518 53.611 52.037 0.093 0.000 0.644 122 A CB -0.933 18.140 19.000 0.121 0.000 0.805 122 A HN 0.687 nan 8.150 nan 0.000 0.449 123 H N -1.862 117.191 119.070 -0.029 0.000 2.539 123 H HA 0.227 4.783 4.556 -0.000 0.000 0.267 123 H C 1.541 176.859 175.328 -0.017 0.000 0.982 123 H CA 0.427 56.458 56.048 -0.029 0.000 1.146 123 H CB 0.321 30.053 29.762 -0.051 0.000 1.382 123 H HN 0.656 nan 8.280 nan 0.000 0.577 124 G N 0.292 109.154 108.800 0.103 0.000 2.260 124 G HA2 -0.200 3.760 3.960 -0.000 0.000 0.179 124 G HA3 -0.200 3.760 3.960 -0.000 0.000 0.179 124 G C 0.703 175.707 174.900 0.174 0.000 1.002 124 G CA -0.246 44.924 45.100 0.117 0.000 0.677 124 G HN 0.583 nan 8.290 nan 0.000 0.486 125 G N -0.442 108.435 108.800 0.128 0.000 2.539 125 G HA2 0.499 4.459 3.960 -0.000 0.000 0.258 125 G HA3 0.499 4.459 3.960 -0.000 0.000 0.258 125 G C -0.139 174.824 174.900 0.105 0.000 1.202 125 G CA 0.103 45.320 45.100 0.195 0.000 0.851 125 G HN 0.471 nan 8.290 nan 0.000 0.556 126 H N 0.687 119.650 119.070 -0.178 0.000 2.508 126 H HA 0.180 4.736 4.556 -0.000 0.000 0.358 126 H C 1.348 176.495 175.328 -0.303 0.000 1.212 126 H CA -0.700 55.108 56.048 -0.399 0.000 1.356 126 H CB 1.251 30.567 29.762 -0.743 0.000 1.525 126 H HN 0.290 nan 8.280 nan 0.000 0.578 127 L N 1.390 121.970 121.223 -1.072 0.000 2.043 127 L HA -0.222 4.118 4.340 -0.000 0.000 0.212 127 L C 2.439 179.065 176.870 -0.406 0.000 1.075 127 L CA 2.142 56.598 54.840 -0.641 0.000 0.752 127 L CB -0.476 41.205 42.059 -0.631 0.000 0.891 127 L HN 0.741 nan 8.230 nan 0.000 0.432 128 T N -5.054 109.315 114.554 -0.309 0.000 3.284 128 T HA -0.089 4.261 4.350 -0.000 0.000 0.252 128 T C 0.894 175.738 174.700 0.240 0.000 1.144 128 T CA 0.371 62.442 62.100 -0.048 0.000 1.021 128 T CB -0.671 68.372 68.868 0.292 0.000 0.984 128 T HN 0.480 nan 8.240 nan 0.000 0.545 129 H N 0.281 119.402 119.070 0.084 0.000 2.507 129 H HA 0.463 5.019 4.556 -0.000 0.000 0.294 129 H C 1.509 176.860 175.328 0.038 0.000 1.064 129 H CA -0.381 55.735 56.048 0.112 0.000 1.138 129 H CB 0.234 30.027 29.762 0.051 0.000 1.515 129 H HN 0.546 nan 8.280 nan 0.000 0.547 130 G N 0.755 109.610 108.800 0.093 0.000 2.164 130 G HA2 -0.264 3.696 3.960 -0.000 0.000 0.154 130 G HA3 -0.264 3.696 3.960 -0.000 0.000 0.154 130 G C 0.177 175.053 174.900 -0.039 0.000 1.014 130 G CA -0.024 45.093 45.100 0.028 0.000 0.683 130 G HN 0.326 nan 8.290 nan 0.000 0.500 131 S N 1.592 117.240 115.700 -0.087 0.000 2.537 131 S HA 0.432 4.902 4.470 -0.000 0.000 0.286 131 S C 0.138 174.689 174.600 -0.082 0.000 1.299 131 S CA -0.218 57.928 58.200 -0.091 0.000 1.067 131 S CB 1.173 64.297 63.200 -0.127 0.000 0.864 131 S HN 0.209 nan 8.310 nan 0.000 0.494 132 P HA -0.059 nan 4.420 nan 0.000 0.225 132 P C 0.987 178.264 177.300 -0.037 0.000 1.148 132 P CA 0.932 64.009 63.100 -0.039 0.000 0.779 132 P CB -0.235 31.449 31.700 -0.026 0.000 0.780 133 V N -4.028 115.859 119.914 -0.045 0.000 3.444 133 V HA 0.312 4.432 4.120 -0.000 0.000 0.308 133 V C 0.583 176.655 176.094 -0.037 0.000 1.371 133 V CA -0.436 61.844 62.300 -0.032 0.000 1.141 133 V CB -0.971 30.837 31.823 -0.026 0.000 1.037 133 V HN 0.026 nan 8.190 nan 0.000 0.433 134 N N 0.371 119.027 118.700 -0.074 0.000 2.381 134 N HA 0.276 5.016 4.740 -0.000 0.000 0.294 134 N C 0.817 176.261 175.510 -0.109 0.000 1.216 134 N CA -0.124 52.858 53.050 -0.112 0.000 0.803 134 N CB 2.224 40.564 38.487 -0.244 0.000 1.372 134 N HN 0.142 nan 8.380 nan 0.000 0.500 135 F N 1.382 121.342 119.950 0.017 0.000 2.202 135 F HA -0.103 4.424 4.527 -0.000 0.000 0.301 135 F C 2.255 178.034 175.800 -0.036 0.000 1.082 135 F CA 1.364 59.374 58.000 0.016 0.000 1.313 135 F CB -1.058 38.010 39.000 0.114 0.000 1.024 135 F HN 0.431 nan 8.300 nan 0.000 0.495 136 S N 0.500 115.742 115.700 -0.763 0.000 2.370 136 S HA -0.072 4.398 4.470 -0.000 0.000 0.226 136 S C 2.275 176.828 174.600 -0.079 0.000 1.033 136 S CA 1.008 58.925 58.200 -0.472 0.000 1.011 136 S CB -1.655 61.195 63.200 -0.584 0.000 0.852 136 S HN 0.557 nan 8.310 nan 0.000 0.457 137 G N 1.204 109.938 108.800 -0.110 0.000 2.511 137 G HA2 0.054 4.014 3.960 -0.000 0.000 0.217 137 G HA3 0.054 4.014 3.960 -0.000 0.000 0.217 137 G C 1.520 176.404 174.900 -0.027 0.000 1.133 137 G CA 0.207 45.286 45.100 -0.035 0.000 0.792 137 G HN 0.539 nan 8.290 nan 0.000 0.539 138 K N -0.296 120.080 120.400 -0.040 0.000 2.166 138 K HA 0.249 4.569 4.320 -0.000 0.000 0.201 138 K C 2.114 178.653 176.600 -0.102 0.000 1.052 138 K CA 0.274 56.537 56.287 -0.041 0.000 0.969 138 K CB -0.015 32.480 32.500 -0.009 0.000 0.761 138 K HN 0.253 nan 8.250 nan 0.000 0.459 139 L N -0.196 120.903 121.223 -0.206 0.000 2.477 139 L HA 0.101 4.441 4.340 -0.000 0.000 0.220 139 L C 0.143 176.543 176.870 -0.784 0.000 1.106 139 L CA 0.209 54.738 54.840 -0.518 0.000 0.851 139 L CB 0.056 41.678 42.059 -0.729 0.000 0.994 139 L HN 0.027 nan 8.230 nan 0.000 0.462 140 Y N -1.526 118.791 120.300 0.028 0.000 2.633 140 Y HA 0.333 4.883 4.550 -0.000 0.000 0.339 140 Y C -0.024 175.898 175.900 0.037 0.000 1.045 140 Y CA -1.735 56.395 58.100 0.049 0.000 1.098 140 Y CB 0.766 39.283 38.460 0.095 0.000 1.296 140 Y HN -0.239 nan 8.280 nan 0.000 0.494 141 N N 1.529 120.363 118.700 0.222 0.000 2.437 141 N HA 0.284 5.024 4.740 -0.000 0.000 0.243 141 N C -1.516 174.058 175.510 0.106 0.000 1.041 141 N CA -0.054 53.067 53.050 0.119 0.000 0.940 141 N CB 0.126 38.671 38.487 0.097 0.000 1.133 141 N HN 0.425 nan 8.380 nan 0.000 0.506 142 I N 3.623 124.234 120.570 0.069 0.000 2.353 142 I HA 0.305 4.475 4.170 -0.000 0.000 0.293 142 I C -0.206 175.892 176.117 -0.032 0.000 0.992 142 I CA -0.885 60.440 61.300 0.041 0.000 1.268 142 I CB 1.338 39.364 38.000 0.043 0.000 1.387 142 I HN 0.164 nan 8.210 nan 0.000 0.478 143 V N 8.425 128.303 119.914 -0.060 0.000 2.378 143 V HA 0.390 4.510 4.120 -0.000 0.000 0.288 143 V C -2.082 173.972 176.094 -0.068 0.000 1.016 143 V CA -1.381 60.833 62.300 -0.144 0.000 0.840 143 V CB 1.926 33.566 31.823 -0.305 0.000 0.994 143 V HN 0.622 nan 8.190 nan 0.000 0.431 144 P HA 0.490 nan 4.420 nan 0.000 0.281 144 P C -1.820 175.462 177.300 -0.029 0.000 1.264 144 P CA -0.411 62.624 63.100 -0.108 0.000 0.824 144 P CB 1.460 33.078 31.700 -0.136 0.000 1.092 145 Y N -2.276 117.952 120.300 -0.120 0.000 2.479 145 Y HA 0.750 5.300 4.550 -0.000 0.000 0.338 145 Y C -0.336 175.444 175.900 -0.200 0.000 1.055 145 Y CA -0.974 57.041 58.100 -0.140 0.000 1.023 145 Y CB 0.763 39.162 38.460 -0.102 0.000 1.287 145 Y HN 0.607 nan 8.280 nan 0.000 0.447 146 G N 2.718 111.505 108.800 -0.022 0.000 3.234 146 G HA2 0.673 4.633 3.960 -0.000 0.000 0.159 146 G HA3 0.673 4.633 3.960 -0.000 0.000 0.159 146 G C -0.818 174.182 174.900 0.167 0.000 1.175 146 G CA -0.661 44.379 45.100 -0.100 0.000 0.900 146 G HN 1.098 nan 8.290 nan 0.000 0.621 147 I N -2.081 118.713 120.570 0.373 0.000 2.846 147 I HA 0.521 4.691 4.170 -0.000 0.000 0.307 147 I C -0.926 175.267 176.117 0.128 0.000 1.053 147 I CA -0.975 60.408 61.300 0.138 0.000 1.050 147 I CB 2.164 40.199 38.000 0.059 0.000 1.239 147 I HN 0.214 nan 8.210 nan 0.000 0.439 148 D N 2.060 122.510 120.400 0.084 0.000 2.278 148 D HA 0.081 4.721 4.640 -0.000 0.000 0.240 148 D C 0.989 177.334 176.300 0.075 0.000 1.347 148 D CA 0.464 54.513 54.000 0.081 0.000 0.945 148 D CB 0.744 41.601 40.800 0.096 0.000 1.175 148 D HN 0.755 nan 8.370 nan 0.000 0.519 149 A N -0.537 122.321 122.820 0.063 0.000 2.218 149 A HA -0.039 4.281 4.320 -0.000 0.000 0.209 149 A C 1.732 179.351 177.584 0.057 0.000 1.168 149 A CA 1.171 53.235 52.037 0.046 0.000 0.804 149 A CB -0.368 18.654 19.000 0.036 0.000 0.834 149 A HN 0.582 nan 8.150 nan 0.000 0.482 150 T N -4.930 109.681 114.554 0.096 0.000 3.067 150 T HA 0.374 4.724 4.350 -0.000 0.000 0.257 150 T C 1.420 176.268 174.700 0.245 0.000 1.105 150 T CA 1.212 63.404 62.100 0.152 0.000 1.104 150 T CB 0.083 69.043 68.868 0.154 0.000 0.925 150 T HN 1.534 nan 8.240 nan 0.000 0.498 151 G N 0.805 109.693 108.800 0.148 0.000 2.159 151 G HA2 -0.151 3.809 3.960 -0.000 0.000 0.227 151 G HA3 -0.151 3.809 3.960 -0.000 0.000 0.227 151 G C -0.247 174.571 174.900 -0.136 0.000 0.986 151 G CA 0.017 45.108 45.100 -0.014 0.000 0.651 151 G HN 0.791 nan 8.290 nan 0.000 0.523 152 H N -0.769 118.369 119.070 0.115 0.000 2.731 152 H HA 0.688 5.244 4.556 -0.000 0.000 0.368 152 H C 0.721 176.034 175.328 -0.025 0.000 1.168 152 H CA -0.932 55.209 56.048 0.154 0.000 1.181 152 H CB 0.957 30.802 29.762 0.137 0.000 1.743 152 H HN 0.205 nan 8.280 nan 0.000 0.547 153 I N 1.060 121.585 120.570 -0.074 0.000 2.648 153 I HA -0.026 4.144 4.170 -0.000 0.000 0.284 153 I C 0.141 176.028 176.117 -0.383 0.000 1.153 153 I CA 0.333 61.421 61.300 -0.353 0.000 1.426 153 I CB 0.225 37.812 38.000 -0.689 0.000 1.381 153 I HN 0.560 nan 8.210 nan 0.000 0.571 154 D N 5.605 125.827 120.400 -0.297 0.000 2.456 154 D HA 0.154 4.794 4.640 -0.000 0.000 0.219 154 D C 0.516 176.673 176.300 -0.239 0.000 1.126 154 D CA -0.278 53.619 54.000 -0.171 0.000 0.890 154 D CB 0.375 41.138 40.800 -0.061 0.000 1.025 154 D HN 0.322 nan 8.370 nan 0.000 0.511 155 Y N 2.342 122.598 120.300 -0.074 0.000 2.465 155 Y HA -0.100 4.450 4.550 -0.000 0.000 0.289 155 Y C 2.299 178.158 175.900 -0.068 0.000 1.150 155 Y CA 0.918 58.963 58.100 -0.092 0.000 1.293 155 Y CB -0.195 38.218 38.460 -0.079 0.000 0.977 155 Y HN 0.539 nan 8.280 nan 0.000 0.556 156 A N -0.103 122.759 122.820 0.069 0.000 1.897 156 A HA -0.185 4.135 4.320 -0.000 0.000 0.215 156 A C 1.832 179.420 177.584 0.005 0.000 1.181 156 A CA 1.810 53.869 52.037 0.037 0.000 0.620 156 A CB -0.668 18.350 19.000 0.030 0.000 0.821 156 A HN 0.414 nan 8.150 nan 0.000 0.443 157 D N -0.813 119.576 120.400 -0.019 0.000 2.183 157 D HA -0.102 4.538 4.640 -0.000 0.000 0.203 157 D C 1.754 178.032 176.300 -0.038 0.000 0.969 157 D CA 0.902 54.889 54.000 -0.022 0.000 0.842 157 D CB -0.120 40.665 40.800 -0.024 0.000 0.957 157 D HN 0.222 nan 8.370 nan 0.000 0.484 158 L N 0.949 122.112 121.223 -0.100 0.000 2.017 158 L HA -0.109 4.231 4.340 -0.000 0.000 0.208 158 L C 2.096 178.935 176.870 -0.051 0.000 1.073 158 L CA 1.891 56.641 54.840 -0.150 0.000 0.745 158 L CB -0.663 41.214 42.059 -0.303 0.000 0.894 158 L HN 0.097 nan 8.230 nan 0.000 0.432 159 E N -0.498 119.693 120.200 -0.016 0.000 2.077 159 E HA -0.284 4.066 4.350 -0.000 0.000 0.193 159 E C 2.262 178.871 176.600 0.014 0.000 0.989 159 E CA 1.839 58.246 56.400 0.011 0.000 0.800 159 E CB -0.045 29.668 29.700 0.022 0.000 0.746 159 E HN 0.548 nan 8.360 nan 0.000 0.452 160 K N 0.861 121.268 120.400 0.011 0.000 2.009 160 K HA -0.238 4.082 4.320 -0.000 0.000 0.210 160 K C 1.925 178.542 176.600 0.028 0.000 1.049 160 K CA 1.893 58.187 56.287 0.012 0.000 0.929 160 K CB -1.100 31.406 32.500 0.010 0.000 0.714 160 K HN 0.287 nan 8.250 nan 0.000 0.440 161 Q N -0.713 119.123 119.800 0.061 0.000 2.096 161 Q HA -0.078 4.262 4.340 -0.000 0.000 0.204 161 Q C 2.594 178.696 176.000 0.170 0.000 0.982 161 Q CA 1.418 57.316 55.803 0.158 0.000 0.850 161 Q CB -0.340 28.492 28.738 0.157 0.000 0.901 161 Q HN 0.671 nan 8.270 nan 0.000 0.422 162 A N 1.355 124.231 122.820 0.093 0.000 1.877 162 A HA -0.209 4.111 4.320 -0.000 0.000 0.216 162 A C 1.905 179.525 177.584 0.060 0.000 1.186 162 A CA 1.514 53.600 52.037 0.083 0.000 0.620 162 A CB -0.282 18.748 19.000 0.051 0.000 0.822 162 A HN 0.179 nan 8.150 nan 0.000 0.443 163 K N -0.745 119.673 120.400 0.030 0.000 2.097 163 K HA -0.137 4.183 4.320 -0.000 0.000 0.205 163 K C 2.092 178.679 176.600 -0.021 0.000 1.050 163 K CA 1.438 57.728 56.287 0.006 0.000 0.938 163 K CB -0.059 32.440 32.500 -0.002 0.000 0.718 163 K HN 0.709 nan 8.250 nan 0.000 0.442 164 E N 0.038 120.205 120.200 -0.055 0.000 2.112 164 E HA -0.133 4.217 4.350 -0.000 0.000 0.190 164 E C 1.497 177.944 176.600 -0.256 0.000 0.979 164 E CA 0.788 57.083 56.400 -0.175 0.000 0.814 164 E CB 0.269 29.810 29.700 -0.266 0.000 0.762 164 E HN 0.376 nan 8.360 nan 0.000 0.460 165 H N -0.147 118.936 119.070 0.021 0.000 2.592 165 H HA 0.115 4.671 4.556 -0.000 0.000 0.265 165 H C 0.332 175.675 175.328 0.026 0.000 0.955 165 H CA 0.309 56.373 56.048 0.027 0.000 1.175 165 H CB 0.605 30.389 29.762 0.036 0.000 1.433 165 H HN -0.042 nan 8.280 nan 0.000 0.537 166 K N 1.914 122.379 120.400 0.108 0.000 3.730 166 K HA -0.108 4.212 4.320 -0.000 0.000 0.276 166 K C -2.671 173.976 176.600 0.079 0.000 0.904 166 K CA -0.088 56.239 56.287 0.067 0.000 0.741 166 K CB -0.933 31.589 32.500 0.037 0.000 1.542 166 K HN 0.382 nan 8.250 nan 0.000 0.446 167 P HA 0.077 nan 4.420 nan 0.000 0.274 167 P C 0.463 177.792 177.300 0.049 0.000 1.231 167 P CA -0.236 62.913 63.100 0.081 0.000 0.790 167 P CB 0.852 32.607 31.700 0.091 0.000 0.951 168 K N 1.151 121.581 120.400 0.050 0.000 2.365 168 K HA 0.121 4.441 4.320 -0.000 0.000 0.197 168 K C 0.836 177.471 176.600 0.058 0.000 1.042 168 K CA 0.614 56.919 56.287 0.031 0.000 0.987 168 K CB 0.125 32.657 32.500 0.055 0.000 0.779 168 K HN 0.478 nan 8.250 nan 0.000 0.484 169 M N 0.865 120.510 119.600 0.076 0.000 2.465 169 M HA 0.349 4.829 4.480 -0.000 0.000 0.284 169 M C -1.999 174.365 176.300 0.107 0.000 1.212 169 M CA -0.635 54.731 55.300 0.110 0.000 0.910 169 M CB 1.831 34.474 32.600 0.072 0.000 1.725 169 M HN -0.164 nan 8.290 nan 0.000 0.477 170 I N 4.817 125.468 120.570 0.135 0.000 2.436 170 I HA 0.447 4.617 4.170 -0.000 0.000 0.289 170 I C -0.890 175.307 176.117 0.133 0.000 1.010 170 I CA -0.753 60.632 61.300 0.142 0.000 1.098 170 I CB 2.048 40.129 38.000 0.135 0.000 1.266 170 I HN 0.637 nan 8.210 nan 0.000 0.434 171 I N 5.119 125.748 120.570 0.099 0.000 2.336 171 I HA 0.461 4.631 4.170 -0.000 0.000 0.292 171 I C 0.556 176.664 176.117 -0.015 0.000 0.991 171 I CA -0.328 60.918 61.300 -0.090 0.000 1.227 171 I CB 1.579 39.428 38.000 -0.252 0.000 1.366 171 I HN 0.607 nan 8.210 nan 0.000 0.466 172 G N 3.569 112.319 108.800 -0.082 0.000 2.470 172 G HA2 0.770 4.730 3.960 -0.000 0.000 0.320 172 G HA3 0.770 4.730 3.960 -0.000 0.000 0.320 172 G C -0.417 174.503 174.900 0.032 0.000 1.245 172 G CA -0.614 44.599 45.100 0.188 0.000 0.935 172 G HN 0.986 nan 8.290 nan 0.000 0.476 173 G N 0.002 108.945 108.800 0.237 0.000 2.361 173 G HA2 0.605 4.565 3.960 -0.000 0.000 0.305 173 G HA3 0.605 4.565 3.960 -0.000 0.000 0.305 173 G C -1.092 173.966 174.900 0.264 0.000 1.367 173 G CA -0.125 45.017 45.100 0.070 0.000 0.951 173 G HN 1.864 nan 8.290 nan 0.000 0.615 174 F N -2.917 117.214 119.950 0.302 0.000 2.807 174 F HA 0.820 5.347 4.527 -0.000 0.000 0.316 174 F C 0.362 176.225 175.800 0.105 0.000 1.162 174 F CA -0.402 57.741 58.000 0.237 0.000 0.910 174 F CB 0.970 40.098 39.000 0.214 0.000 1.314 174 F HN 0.469 nan 8.300 nan 0.000 0.454 175 S N -0.431 115.424 115.700 0.257 0.000 2.554 175 S HA 0.564 5.034 4.470 -0.000 0.000 0.227 175 S C 0.617 175.106 174.600 -0.186 0.000 1.050 175 S CA 0.472 58.636 58.200 -0.060 0.000 0.927 175 S CB 0.947 64.231 63.200 0.141 0.000 0.859 175 S HN 1.014 nan 8.310 nan 0.000 0.494 176 A N 0.757 123.614 122.820 0.062 0.000 2.676 176 A HA 0.511 4.831 4.320 -0.000 0.000 0.258 176 A C -0.792 176.787 177.584 -0.008 0.000 0.898 176 A CA -0.256 51.765 52.037 -0.027 0.000 1.087 176 A CB 0.082 19.064 19.000 -0.030 0.000 1.214 176 A HN 0.330 nan 8.150 nan 0.000 0.474 177 Y N 1.092 121.243 120.300 -0.249 0.000 2.352 177 Y HA 0.469 5.019 4.550 -0.000 0.000 0.339 177 Y C 1.081 176.620 175.900 -0.601 0.000 0.992 177 Y CA -0.663 57.127 58.100 -0.517 0.000 1.100 177 Y CB 2.026 40.015 38.460 -0.784 0.000 1.192 177 Y HN 0.220 nan 8.280 nan 0.000 0.458 178 S N 2.222 117.393 115.700 -0.881 0.000 2.556 178 S HA 0.324 4.794 4.470 -0.000 0.000 0.216 178 S C 0.824 174.973 174.600 -0.752 0.000 0.970 178 S CA 0.136 57.944 58.200 -0.653 0.000 0.912 178 S CB -0.278 62.705 63.200 -0.362 0.000 0.790 178 S HN 0.829 nan 8.310 nan 0.000 0.504 179 G N 0.858 108.762 108.800 -1.494 0.000 2.510 179 G HA2 0.543 4.503 3.960 -0.000 0.000 0.280 179 G HA3 0.543 4.503 3.960 -0.000 0.000 0.280 179 G C -0.928 173.813 174.900 -0.265 0.000 1.386 179 G CA -0.585 44.029 45.100 -0.809 0.000 1.047 179 G HN 0.276 nan 8.290 nan 0.000 0.527 180 V N -0.064 119.819 119.914 -0.051 0.000 2.398 180 V HA 0.362 4.482 4.120 -0.000 0.000 0.286 180 V C 0.003 176.067 176.094 -0.050 0.000 1.026 180 V CA -0.553 61.670 62.300 -0.129 0.000 0.868 180 V CB 1.435 33.083 31.823 -0.293 0.000 0.982 180 V HN 0.426 nan 8.190 nan 0.000 0.443 181 V N 3.458 123.248 119.914 -0.206 0.000 2.481 181 V HA 0.287 4.407 4.120 -0.000 0.000 0.286 181 V C 0.261 175.922 176.094 -0.722 0.000 1.042 181 V CA -0.554 61.529 62.300 -0.362 0.000 0.928 181 V CB 1.737 33.202 31.823 -0.597 0.000 0.986 181 V HN 0.857 nan 8.190 nan 0.000 0.462 182 D N 3.477 123.657 120.400 -0.367 0.000 2.453 182 D HA 0.100 4.740 4.640 -0.000 0.000 0.223 182 D C 0.740 176.891 176.300 -0.249 0.000 1.183 182 D CA -0.110 53.621 54.000 -0.448 0.000 0.933 182 D CB 0.333 40.745 40.800 -0.648 0.000 1.038 182 D HN 0.596 nan 8.370 nan 0.000 0.513 183 W N 2.849 124.092 121.300 -0.096 0.000 2.335 183 W HA -0.222 4.438 4.660 -0.000 0.000 0.311 183 W C 2.443 178.839 176.519 -0.205 0.000 1.213 183 W CA 0.532 57.825 57.345 -0.087 0.000 1.274 183 W CB -0.230 29.197 29.460 -0.056 0.000 1.148 183 W HN 0.476 nan 8.180 nan 0.000 0.498 184 A N 0.671 123.329 122.820 -0.270 0.000 1.940 184 A HA -0.262 4.058 4.320 -0.000 0.000 0.219 184 A C 1.868 179.415 177.584 -0.063 0.000 1.176 184 A CA 2.198 54.094 52.037 -0.234 0.000 0.631 184 A CB -0.714 18.099 19.000 -0.312 0.000 0.814 184 A HN 0.181 nan 8.150 nan 0.000 0.446 185 K N -0.365 119.957 120.400 -0.130 0.000 2.097 185 K HA 0.056 4.376 4.320 -0.000 0.000 0.205 185 K C 1.864 178.465 176.600 0.001 0.000 1.050 185 K CA 1.643 57.850 56.287 -0.133 0.000 0.938 185 K CB -0.392 31.875 32.500 -0.387 0.000 0.718 185 K HN 0.515 nan 8.250 nan 0.000 0.442 186 M N -0.312 119.340 119.600 0.087 0.000 2.200 186 M HA -0.061 4.419 4.480 -0.000 0.000 0.265 186 M C 2.072 178.460 176.300 0.147 0.000 1.066 186 M CA 1.222 56.620 55.300 0.165 0.000 1.127 186 M CB -0.096 32.660 32.600 0.259 0.000 1.379 186 M HN -0.013 nan 8.290 nan 0.000 0.420 187 R N 1.085 121.674 120.500 0.148 0.000 2.092 187 R HA -0.086 4.254 4.340 -0.000 0.000 0.231 187 R C 1.610 177.973 176.300 0.104 0.000 1.119 187 R CA 1.673 57.858 56.100 0.141 0.000 0.970 187 R CB -0.489 29.900 30.300 0.148 0.000 0.864 187 R HN 0.401 nan 8.270 nan 0.000 0.440 188 E N -0.093 120.151 120.200 0.073 0.000 2.038 188 E HA -0.192 4.158 4.350 -0.000 0.000 0.195 188 E C 2.014 178.646 176.600 0.053 0.000 1.000 188 E CA 1.822 58.252 56.400 0.050 0.000 0.803 188 E CB -0.233 29.480 29.700 0.022 0.000 0.750 188 E HN 0.349 nan 8.360 nan 0.000 0.448 189 I N 1.023 121.628 120.570 0.058 0.000 2.208 189 I HA -0.305 3.865 4.170 -0.000 0.000 0.245 189 I C 2.579 178.733 176.117 0.062 0.000 1.097 189 I CA 1.020 62.353 61.300 0.055 0.000 1.363 189 I CB -0.398 37.638 38.000 0.059 0.000 1.051 189 I HN 0.103 nan 8.210 nan 0.000 0.413 190 A N 0.641 123.515 122.820 0.090 0.000 1.858 190 A HA -0.246 4.074 4.320 -0.000 0.000 0.216 190 A C 1.963 179.590 177.584 0.072 0.000 1.190 190 A CA 2.113 54.209 52.037 0.099 0.000 0.617 190 A CB -0.666 18.441 19.000 0.178 0.000 0.827 190 A HN 0.331 nan 8.150 nan 0.000 0.443 191 D N 0.190 120.642 120.400 0.086 0.000 2.182 191 D HA -0.142 4.498 4.640 -0.000 0.000 0.201 191 D C 2.393 178.709 176.300 0.027 0.000 0.986 191 D CA 1.753 55.789 54.000 0.060 0.000 0.847 191 D CB -0.350 40.486 40.800 0.060 0.000 0.942 191 D HN 0.597 nan 8.370 nan 0.000 0.467 192 S N 0.278 115.994 115.700 0.026 0.000 2.447 192 S HA -0.120 4.350 4.470 -0.000 0.000 0.233 192 S C 1.842 176.445 174.600 0.005 0.000 1.006 192 S CA 0.670 58.879 58.200 0.014 0.000 0.957 192 S CB -0.530 62.680 63.200 0.016 0.000 0.773 192 S HN 0.556 nan 8.310 nan 0.000 0.507 193 I N -3.455 117.116 120.570 0.003 0.000 4.050 193 I HA 0.608 4.778 4.170 -0.000 0.000 0.327 193 I C 1.014 177.110 176.117 -0.036 0.000 1.473 193 I CA -0.198 61.097 61.300 -0.009 0.000 1.124 193 I CB -0.132 37.870 38.000 0.004 0.000 1.129 193 I HN 0.230 nan 8.210 nan 0.000 0.428 194 G N 2.055 110.827 108.800 -0.046 0.000 2.273 194 G HA2 -0.187 3.773 3.960 -0.000 0.000 0.280 194 G HA3 -0.187 3.773 3.960 -0.000 0.000 0.280 194 G C 0.287 175.070 174.900 -0.195 0.000 1.047 194 G CA 0.311 45.349 45.100 -0.104 0.000 0.869 194 G HN 0.945 nan 8.290 nan 0.000 0.502 195 A N -0.949 121.785 122.820 -0.142 0.000 2.256 195 A HA 0.842 5.162 4.320 -0.000 0.000 0.318 195 A C -0.243 177.181 177.584 -0.268 0.000 1.103 195 A CA -0.716 51.212 52.037 -0.182 0.000 0.860 195 A CB 0.800 19.782 19.000 -0.030 0.000 1.182 195 A HN 0.548 nan 8.150 nan 0.000 0.501 196 Y N -0.566 119.628 120.300 -0.177 0.000 2.308 196 Y HA 0.452 5.002 4.550 -0.000 0.000 0.329 196 Y C 0.042 175.954 175.900 0.020 0.000 1.111 196 Y CA -0.369 57.520 58.100 -0.351 0.000 1.179 196 Y CB 1.469 39.746 38.460 -0.306 0.000 1.201 196 Y HN 0.477 nan 8.280 nan 0.000 0.483 197 L N 5.933 127.484 121.223 0.546 0.000 2.264 197 L HA 0.423 4.763 4.340 -0.000 0.000 0.287 197 L C -1.490 175.604 176.870 0.373 0.000 1.039 197 L CA -0.543 54.541 54.840 0.406 0.000 0.829 197 L CB -0.173 42.092 42.059 0.343 0.000 1.211 197 L HN 0.426 nan 8.230 nan 0.000 0.427 198 F N 6.564 126.551 119.950 0.062 0.000 2.388 198 F HA 0.633 5.160 4.527 0.000 0.000 0.358 198 F C -1.068 174.683 175.800 -0.081 0.000 1.122 198 F CA -1.084 56.886 58.000 -0.051 0.000 1.056 198 F CB 1.184 40.088 39.000 -0.160 0.000 1.155 198 F HN 0.154 nan 8.300 nan 0.000 0.461 199 V N 6.006 125.767 119.914 -0.256 0.000 2.417 199 V HA 0.245 4.365 4.120 -0.000 0.000 0.291 199 V C -0.810 174.936 176.094 -0.579 0.000 1.024 199 V CA -0.721 61.261 62.300 -0.531 0.000 0.861 199 V CB 1.541 33.017 31.823 -0.579 0.000 0.985 199 V HN 0.652 nan 8.190 nan 0.000 0.436 200 D N 5.715 125.731 120.400 -0.640 0.000 2.443 200 D HA 0.312 4.952 4.640 -0.000 0.000 0.221 200 D C 0.542 176.679 176.300 -0.271 0.000 1.097 200 D CA -0.505 53.280 54.000 -0.358 0.000 0.865 200 D CB 1.297 41.962 40.800 -0.224 0.000 1.034 200 D HN 0.594 nan 8.370 nan 0.000 0.511 201 M N 1.885 121.331 119.600 -0.256 0.000 2.637 201 M HA 0.443 4.923 4.480 -0.000 0.000 0.286 201 M C 1.261 177.439 176.300 -0.203 0.000 1.246 201 M CA -0.567 54.588 55.300 -0.242 0.000 0.978 201 M CB 0.922 33.388 32.600 -0.223 0.000 1.417 201 M HN 0.130 nan 8.290 nan 0.000 0.487 202 A N 0.957 123.668 122.820 -0.181 0.000 1.896 202 A HA -0.257 4.063 4.320 -0.000 0.000 0.220 202 A C 1.807 179.261 177.584 -0.217 0.000 1.206 202 A CA 2.521 54.444 52.037 -0.189 0.000 0.647 202 A CB -1.280 17.606 19.000 -0.190 0.000 0.828 202 A HN 0.751 nan 8.150 nan 0.000 0.455 203 H N -1.164 117.765 119.070 -0.235 0.000 2.389 203 H HA -0.009 4.547 4.556 -0.000 0.000 0.299 203 H C 1.777 176.918 175.328 -0.311 0.000 1.081 203 H CA 1.959 57.894 56.048 -0.188 0.000 1.345 203 H CB 0.079 29.862 29.762 0.035 0.000 1.393 203 H HN 0.437 nan 8.280 nan 0.000 0.520 204 V N -2.672 117.147 119.914 -0.158 0.000 3.376 204 V HA 0.450 4.570 4.120 -0.000 0.000 0.313 204 V C 1.942 177.993 176.094 -0.073 0.000 1.393 204 V CA 0.483 62.655 62.300 -0.213 0.000 1.125 204 V CB -0.041 31.505 31.823 -0.460 0.000 1.037 204 V HN 0.361 nan 8.190 nan 0.000 0.440 205 A N 1.955 124.751 122.820 -0.040 0.000 1.908 205 A HA -0.005 4.315 4.320 -0.000 0.000 0.218 205 A C 2.287 180.042 177.584 0.285 0.000 1.181 205 A CA 2.252 54.366 52.037 0.127 0.000 0.627 205 A CB -1.225 17.810 19.000 0.057 0.000 0.818 205 A HN 0.732 nan 8.150 nan 0.000 0.445 206 G N -0.181 108.714 108.800 0.159 0.000 2.421 206 G HA2 -0.150 3.810 3.960 -0.000 0.000 0.216 206 G HA3 -0.150 3.810 3.960 -0.000 0.000 0.216 206 G C 1.532 176.520 174.900 0.148 0.000 1.171 206 G CA 0.986 46.231 45.100 0.241 0.000 0.775 206 G HN 0.437 nan 8.290 nan 0.000 0.543 207 L N 0.376 121.624 121.223 0.041 0.000 2.083 207 L HA -0.098 4.242 4.340 -0.000 0.000 0.209 207 L C 2.976 179.962 176.870 0.193 0.000 1.083 207 L CA 0.547 55.428 54.840 0.068 0.000 0.752 207 L CB -0.679 41.430 42.059 0.083 0.000 0.899 207 L HN 0.093 nan 8.230 nan 0.000 0.433 208 V N 0.307 120.383 119.914 0.269 0.000 2.358 208 V HA -0.261 3.859 4.120 -0.000 0.000 0.246 208 V C 2.848 179.104 176.094 0.270 0.000 1.047 208 V CA 1.724 64.234 62.300 0.350 0.000 1.035 208 V CB -0.896 31.192 31.823 0.442 0.000 0.658 208 V HN 0.469 nan 8.190 nan 0.000 0.452 209 A N 0.185 123.150 122.820 0.242 0.000 1.917 209 A HA -0.183 4.137 4.320 -0.000 0.000 0.219 209 A C 2.306 179.967 177.584 0.128 0.000 1.182 209 A CA 2.297 54.351 52.037 0.028 0.000 0.633 209 A CB -0.730 18.309 19.000 0.065 0.000 0.819 209 A HN 0.618 nan 8.150 nan 0.000 0.448 210 A N -2.248 120.684 122.820 0.187 0.000 2.167 210 A HA 0.395 4.715 4.320 -0.000 0.000 0.214 210 A C 1.862 179.505 177.584 0.098 0.000 1.151 210 A CA 1.300 53.415 52.037 0.129 0.000 0.735 210 A CB -0.835 18.170 19.000 0.009 0.000 0.802 210 A HN 1.998 nan 8.150 nan 0.000 0.467 211 G N -1.973 106.902 108.800 0.124 0.000 2.132 211 G HA2 -0.217 3.743 3.960 -0.000 0.000 0.234 211 G HA3 -0.217 3.743 3.960 -0.000 0.000 0.234 211 G C 0.622 175.596 174.900 0.123 0.000 0.989 211 G CA 0.336 45.511 45.100 0.125 0.000 0.676 211 G HN 0.714 nan 8.290 nan 0.000 0.522 212 V N -0.966 119.029 119.914 0.136 0.000 3.608 212 V HA 0.376 4.496 4.120 -0.000 0.000 0.269 212 V C 0.511 176.736 176.094 0.220 0.000 1.245 212 V CA 1.253 63.630 62.300 0.129 0.000 1.138 212 V CB -0.267 31.605 31.823 0.081 0.000 0.841 212 V HN 0.517 nan 8.190 nan 0.000 0.451 213 Y N -0.069 120.307 120.300 0.127 0.000 2.504 213 Y HA 0.536 5.086 4.550 -0.000 0.000 0.344 213 Y C -2.786 173.252 175.900 0.231 0.000 1.023 213 Y CA -2.894 55.309 58.100 0.171 0.000 1.020 213 Y CB 2.165 40.754 38.460 0.215 0.000 1.282 213 Y HN -0.029 nan 8.280 nan 0.000 0.454 214 P HA -0.054 nan 4.420 nan 0.000 0.260 214 P C -0.935 176.756 177.300 0.651 0.000 1.172 214 P CA 0.482 63.741 63.100 0.264 0.000 0.760 214 P CB 0.349 32.047 31.700 -0.004 0.000 0.773 215 N N 5.295 124.287 118.700 0.486 0.000 2.458 215 N HA 0.083 4.823 4.740 -0.000 0.000 0.270 215 N C -1.532 174.178 175.510 0.334 0.000 1.102 215 N CA -2.141 51.150 53.050 0.402 0.000 0.967 215 N CB 0.604 39.269 38.487 0.297 0.000 1.078 215 N HN 0.239 nan 8.380 nan 0.000 0.471 216 P HA -0.005 nan 4.420 nan 0.000 0.245 216 P C 1.265 178.453 177.300 -0.188 0.000 1.203 216 P CA 0.199 62.962 63.100 -0.561 0.000 0.792 216 P CB 0.573 31.335 31.700 -1.564 0.000 0.997 217 V N 3.063 122.919 119.914 -0.096 0.000 2.317 217 V HA -0.148 3.972 4.120 -0.000 0.000 0.251 217 V C -0.073 175.980 176.094 -0.068 0.000 1.065 217 V CA 2.655 64.918 62.300 -0.061 0.000 1.049 217 V CB -2.630 29.199 31.823 0.010 0.000 0.651 217 V HN 0.270 nan 8.190 nan 0.000 0.450 218 P HA -0.047 nan 4.420 nan 0.000 0.249 218 P C 0.655 177.653 177.300 -0.504 0.000 1.241 218 P CA 1.280 64.209 63.100 -0.286 0.000 0.781 218 P CB -0.012 31.494 31.700 -0.323 0.000 1.088 219 H N -1.461 117.602 119.070 -0.012 0.000 3.205 219 H HA 0.386 4.942 4.556 -0.000 0.000 0.252 219 H C 0.786 176.075 175.328 -0.066 0.000 1.015 219 H CA -0.081 55.964 56.048 -0.004 0.000 1.192 219 H CB 0.789 30.612 29.762 0.101 0.000 1.474 219 H HN 0.077 nan 8.280 nan 0.000 0.484 220 A N 0.599 123.420 122.820 0.002 0.000 2.306 220 A HA 0.348 4.668 4.320 -0.000 0.000 0.330 220 A C 0.201 177.756 177.584 -0.048 0.000 1.146 220 A CA -0.445 51.586 52.037 -0.010 0.000 0.827 220 A CB 0.733 19.725 19.000 -0.015 0.000 1.178 220 A HN 0.256 nan 8.150 nan 0.000 0.490 221 H N 0.021 119.150 119.070 0.099 0.000 2.428 221 H HA 0.196 4.752 4.556 -0.000 0.000 0.296 221 H C -0.054 175.302 175.328 0.048 0.000 1.062 221 H CA 1.793 57.897 56.048 0.093 0.000 1.350 221 H CB 0.058 29.920 29.762 0.167 0.000 1.403 221 H HN 0.268 nan 8.280 nan 0.000 0.533 222 V N 0.403 120.419 119.914 0.171 0.000 2.932 222 V HA 0.360 4.480 4.120 -0.000 0.000 0.307 222 V C -0.906 175.284 176.094 0.161 0.000 1.147 222 V CA -0.985 61.370 62.300 0.093 0.000 0.951 222 V CB 2.863 34.657 31.823 -0.049 0.000 1.031 222 V HN -0.135 nan 8.190 nan 0.000 0.426 223 V N 2.461 122.428 119.914 0.090 0.000 2.735 223 V HA 0.847 4.967 4.120 -0.000 0.000 0.310 223 V C 0.039 176.175 176.094 0.071 0.000 1.061 223 V CA -0.370 61.958 62.300 0.047 0.000 0.913 223 V CB 2.391 34.139 31.823 -0.125 0.000 1.005 223 V HN 1.093 nan 8.190 nan 0.000 0.428 224 T N -0.379 114.245 114.554 0.116 0.000 2.916 224 T HA 0.866 5.216 4.350 -0.000 0.000 0.292 224 T C -0.521 174.152 174.700 -0.044 0.000 1.064 224 T CA -0.768 61.387 62.100 0.092 0.000 1.011 224 T CB 2.173 71.207 68.868 0.276 0.000 1.152 224 T HN 0.868 nan 8.240 nan 0.000 0.510 225 T N 0.467 114.986 114.554 -0.057 0.000 2.827 225 T HA 0.611 4.961 4.350 -0.000 0.000 0.328 225 T C -0.623 174.038 174.700 -0.065 0.000 1.598 225 T CA -0.227 61.806 62.100 -0.110 0.000 1.043 225 T CB 1.392 70.136 68.868 -0.206 0.000 1.447 225 T HN 1.249 nan 8.240 nan 0.000 0.491 226 T N -0.268 114.223 114.554 -0.104 0.000 2.912 226 T HA 0.538 4.888 4.350 -0.000 0.000 0.280 226 T C 1.257 175.926 174.700 -0.052 0.000 0.989 226 T CA 0.209 62.269 62.100 -0.066 0.000 0.995 226 T CB 1.073 69.777 68.868 -0.274 0.000 1.077 226 T HN 0.795 nan 8.240 nan 0.000 0.531 227 T N -2.459 112.141 114.554 0.076 0.000 3.044 227 T HA 0.092 4.442 4.350 -0.000 0.000 0.260 227 T C 1.172 175.930 174.700 0.096 0.000 1.019 227 T CA -0.002 62.145 62.100 0.078 0.000 0.921 227 T CB -0.397 68.526 68.868 0.091 0.000 1.053 227 T HN 0.910 nan 8.240 nan 0.000 0.533 228 H N 0.012 119.071 119.070 -0.019 0.000 2.549 228 H HA 0.492 5.048 4.556 -0.000 0.000 0.279 228 H C 0.775 176.073 175.328 -0.050 0.000 1.018 228 H CA -0.509 55.526 56.048 -0.022 0.000 1.175 228 H CB 0.283 30.031 29.762 -0.025 0.000 1.485 228 H HN 0.269 nan 8.280 nan 0.000 0.543 229 K N 0.982 121.194 120.400 -0.314 0.000 3.860 229 K HA 0.066 4.386 4.320 -0.000 0.000 0.165 229 K C 1.897 178.404 176.600 -0.155 0.000 1.146 229 K CA 0.766 56.871 56.287 -0.303 0.000 1.673 229 K CB -0.168 32.038 32.500 -0.490 0.000 2.306 229 K HN 0.159 nan 8.250 nan 0.000 0.504 230 T N 0.445 114.879 114.554 -0.201 0.000 3.007 230 T HA -0.072 4.278 4.350 -0.000 0.000 0.270 230 T C 1.746 176.517 174.700 0.118 0.000 1.107 230 T CA 0.645 62.682 62.100 -0.105 0.000 1.118 230 T CB -0.058 68.651 68.868 -0.265 0.000 0.889 230 T HN 0.047 nan 8.240 nan 0.000 0.506 231 L N 1.236 122.531 121.223 0.119 0.000 2.376 231 L HA 0.450 4.790 4.340 -0.000 0.000 0.219 231 L C 1.909 178.926 176.870 0.244 0.000 1.133 231 L CA 0.629 55.617 54.840 0.248 0.000 0.816 231 L CB -1.337 40.812 42.059 0.150 0.000 0.933 231 L HN 0.586 nan 8.230 nan 0.000 0.449 232 A N -1.602 121.322 122.820 0.174 0.000 2.826 232 A HA -0.112 4.208 4.320 -0.000 0.000 0.274 232 A C 1.090 178.742 177.584 0.113 0.000 1.443 232 A CA 0.815 52.943 52.037 0.153 0.000 0.833 232 A CB -2.423 16.708 19.000 0.218 0.000 1.023 232 A HN 0.572 nan 8.150 nan 0.000 0.600 233 G N -0.928 107.930 108.800 0.097 0.000 2.828 233 G HA2 0.744 4.704 3.960 -0.000 0.000 0.244 233 G HA3 0.744 4.704 3.960 -0.000 0.000 0.244 233 G C -2.299 172.658 174.900 0.095 0.000 1.365 233 G CA -0.737 44.408 45.100 0.076 0.000 1.041 233 G HN 0.395 nan 8.290 nan 0.000 0.560 234 P HA 0.192 nan 4.420 nan 0.000 0.274 234 P C -0.720 176.601 177.300 0.036 0.000 1.256 234 P CA -0.345 62.773 63.100 0.030 0.000 0.795 234 P CB 0.896 32.587 31.700 -0.014 0.000 1.038 235 R N 0.581 121.018 120.500 -0.105 0.000 2.351 235 R HA 0.570 4.910 4.340 -0.000 0.000 0.318 235 R C 0.748 176.956 176.300 -0.153 0.000 1.055 235 R CA 0.076 55.943 56.100 -0.387 0.000 0.968 235 R CB -0.160 29.819 30.300 -0.537 0.000 0.974 235 R HN 0.730 nan 8.270 nan 0.000 0.439 236 G N 0.794 109.620 108.800 0.043 0.000 2.506 236 G HA2 0.486 4.446 3.960 -0.000 0.000 0.292 236 G HA3 0.486 4.446 3.960 -0.000 0.000 0.292 236 G C -1.222 173.758 174.900 0.134 0.000 1.425 236 G CA -0.563 44.578 45.100 0.068 0.000 0.788 236 G HN 0.612 nan 8.290 nan 0.000 0.490 237 G N -1.618 107.233 108.800 0.085 0.000 2.552 237 G HA2 0.813 4.773 3.960 -0.000 0.000 0.324 237 G HA3 0.813 4.773 3.960 -0.000 0.000 0.324 237 G C -1.653 173.270 174.900 0.037 0.000 1.217 237 G CA -0.686 44.460 45.100 0.076 0.000 0.989 237 G HN 1.367 nan 8.290 nan 0.000 0.490 238 L N -0.511 120.727 121.223 0.024 0.000 2.592 238 L HA 0.590 4.930 4.340 -0.000 0.000 0.258 238 L C -1.295 175.570 176.870 -0.009 0.000 0.926 238 L CA -0.526 54.310 54.840 -0.007 0.000 0.885 238 L CB 1.920 43.962 42.059 -0.029 0.000 1.380 238 L HN 0.497 nan 8.230 nan 0.000 0.415 239 I N 5.215 125.781 120.570 -0.007 0.000 2.474 239 I HA 0.589 4.758 4.170 -0.000 0.000 0.294 239 I C -0.869 175.250 176.117 0.003 0.000 1.005 239 I CA -0.611 60.708 61.300 0.032 0.000 1.113 239 I CB 1.741 39.808 38.000 0.113 0.000 1.289 239 I HN 0.423 nan 8.210 nan 0.000 0.436 240 L N 5.317 126.549 121.223 0.014 0.000 2.371 240 L HA 0.967 5.307 4.340 -0.000 0.000 0.262 240 L C -0.540 176.377 176.870 0.079 0.000 1.006 240 L CA -0.631 54.212 54.840 0.005 0.000 0.818 240 L CB 2.164 44.154 42.059 -0.114 0.000 1.354 240 L HN 0.738 nan 8.230 nan 0.000 0.415 241 A N 2.046 124.932 122.820 0.109 0.000 2.612 241 A HA 0.778 5.098 4.320 -0.000 0.000 0.293 241 A C -1.702 175.952 177.584 0.116 0.000 1.075 241 A CA -0.631 51.468 52.037 0.104 0.000 0.680 241 A CB 2.337 21.401 19.000 0.108 0.000 1.279 241 A HN 0.619 nan 8.150 nan 0.000 0.411 242 K N 0.082 120.567 120.400 0.142 0.000 2.525 242 K HA 0.534 4.854 4.320 -0.000 0.000 0.254 242 K C 0.546 177.227 176.600 0.136 0.000 0.934 242 K CA 0.235 56.606 56.287 0.139 0.000 0.802 242 K CB 1.620 34.156 32.500 0.060 0.000 1.295 242 K HN 2.363 nan 8.250 nan 0.000 0.433 243 G N 1.803 110.692 108.800 0.148 0.000 2.155 243 G HA2 -0.243 3.717 3.960 -0.000 0.000 0.257 243 G HA3 -0.243 3.717 3.960 -0.000 0.000 0.257 243 G C 0.326 175.241 174.900 0.025 0.000 0.983 243 G CA 0.210 45.352 45.100 0.070 0.000 0.676 243 G HN 0.890 nan 8.290 nan 0.000 0.528 244 G N -0.273 108.551 108.800 0.041 0.000 2.588 244 G HA2 0.697 4.657 3.960 -0.000 0.000 0.281 244 G HA3 0.697 4.657 3.960 -0.000 0.000 0.281 244 G C 0.582 175.153 174.900 -0.550 0.000 1.236 244 G CA 0.783 45.729 45.100 -0.257 0.000 0.969 244 G HN 1.534 nan 8.290 nan 0.000 0.504 245 S N -1.216 114.149 115.700 -0.559 0.000 2.713 245 S HA 0.328 4.798 4.470 -0.000 0.000 0.283 245 S C 0.961 175.197 174.600 -0.607 0.000 1.161 245 S CA -0.438 57.498 58.200 -0.440 0.000 0.999 245 S CB 1.831 64.891 63.200 -0.233 0.000 1.039 245 S HN 0.599 nan 8.310 nan 0.000 0.548 246 E N 0.875 120.885 120.200 -0.317 0.000 2.070 246 E HA -0.181 4.169 4.350 -0.000 0.000 0.197 246 E C 1.875 178.369 176.600 -0.177 0.000 1.004 246 E CA 1.449 57.736 56.400 -0.188 0.000 0.805 246 E CB -0.274 29.378 29.700 -0.079 0.000 0.744 246 E HN 0.663 nan 8.360 nan 0.000 0.451 247 E N 0.817 120.920 120.200 -0.161 0.000 2.049 247 E HA -0.202 4.148 4.350 -0.000 0.000 0.198 247 E C 2.264 178.777 176.600 -0.145 0.000 1.007 247 E CA 0.624 56.953 56.400 -0.118 0.000 0.809 247 E CB -0.603 29.041 29.700 -0.093 0.000 0.749 247 E HN 0.149 nan 8.360 nan 0.000 0.450 248 L N 0.664 121.754 121.223 -0.223 0.000 2.081 248 L HA -0.214 4.126 4.340 -0.000 0.000 0.212 248 L C 2.219 178.992 176.870 -0.162 0.000 1.080 248 L CA 1.719 56.429 54.840 -0.216 0.000 0.754 248 L CB -0.692 41.207 42.059 -0.266 0.000 0.893 248 L HN 0.090 nan 8.230 nan 0.000 0.433 249 Y N 0.220 120.330 120.300 -0.317 0.000 2.395 249 Y HA -0.014 4.536 4.550 -0.000 0.000 0.293 249 Y C 2.699 178.446 175.900 -0.255 0.000 1.123 249 Y CA 1.157 58.954 58.100 -0.505 0.000 1.227 249 Y CB -1.542 36.653 38.460 -0.443 0.000 1.012 249 Y HN 0.305 nan 8.280 nan 0.000 0.552 250 K N 1.147 121.545 120.400 -0.003 0.000 2.025 250 K HA -0.146 4.174 4.320 -0.000 0.000 0.207 250 K C 1.999 178.587 176.600 -0.021 0.000 1.049 250 K CA 1.663 57.946 56.287 -0.007 0.000 0.933 250 K CB -0.812 31.681 32.500 -0.012 0.000 0.714 250 K HN 0.362 nan 8.250 nan 0.000 0.438 251 K N 0.107 120.478 120.400 -0.049 0.000 2.063 251 K HA -0.013 4.307 4.320 -0.000 0.000 0.208 251 K C 2.281 178.853 176.600 -0.048 0.000 1.048 251 K CA 1.553 57.808 56.287 -0.054 0.000 0.928 251 K CB -0.403 32.044 32.500 -0.087 0.000 0.713 251 K HN 0.294 nan 8.250 nan 0.000 0.442 252 L N 1.164 122.343 121.223 -0.073 0.000 2.046 252 L HA -0.210 4.130 4.340 -0.000 0.000 0.208 252 L C 2.015 178.928 176.870 0.071 0.000 1.077 252 L CA 0.959 55.774 54.840 -0.041 0.000 0.747 252 L CB -0.462 41.522 42.059 -0.126 0.000 0.896 252 L HN 0.241 nan 8.230 nan 0.000 0.432 253 N N -0.580 118.160 118.700 0.067 0.000 2.188 253 N HA -0.122 4.618 4.740 -0.000 0.000 0.184 253 N C 2.015 177.648 175.510 0.205 0.000 1.018 253 N CA 1.326 54.420 53.050 0.073 0.000 0.858 253 N CB -0.116 38.219 38.487 -0.254 0.000 0.989 253 N HN 0.166 nan 8.380 nan 0.000 0.426 254 S N 0.672 116.440 115.700 0.113 0.000 2.387 254 S HA 0.034 4.504 4.470 -0.000 0.000 0.226 254 S C 2.066 176.711 174.600 0.074 0.000 1.026 254 S CA 0.828 59.085 58.200 0.094 0.000 0.972 254 S CB -0.132 63.087 63.200 0.032 0.000 0.814 254 S HN 0.466 nan 8.310 nan 0.000 0.477 255 A N 1.153 124.011 122.820 0.063 0.000 1.902 255 A HA -0.050 4.270 4.320 -0.000 0.000 0.217 255 A C 2.306 179.966 177.584 0.127 0.000 1.181 255 A CA 1.474 53.544 52.037 0.056 0.000 0.623 255 A CB -0.827 18.175 19.000 0.002 0.000 0.818 255 A HN 0.346 nan 8.150 nan 0.000 0.443 256 V N -2.422 117.599 119.914 0.177 0.000 2.307 256 V HA 0.036 4.156 4.120 -0.000 0.000 0.245 256 V C 0.845 177.100 176.094 0.268 0.000 1.045 256 V CA 1.792 64.220 62.300 0.213 0.000 1.024 256 V CB -0.532 31.437 31.823 0.243 0.000 0.651 256 V HN 0.552 nan 8.190 nan 0.000 0.449 257 F N 0.949 120.990 119.950 0.151 0.000 2.604 257 F HA 0.534 5.061 4.527 -0.000 0.000 0.316 257 F C -2.525 173.358 175.800 0.139 0.000 1.136 257 F CA -1.980 56.082 58.000 0.102 0.000 0.989 257 F CB 2.065 41.083 39.000 0.031 0.000 1.258 257 F HN -0.144 nan 8.300 nan 0.000 0.451 258 P HA 0.149 nan 4.420 nan 0.000 0.255 258 P C 1.061 178.185 177.300 -0.293 0.000 1.301 258 P CA 0.713 63.190 63.100 -1.038 0.000 0.817 258 P CB 0.246 31.317 31.700 -1.047 0.000 1.259 259 G N 1.543 110.273 108.800 -0.116 0.000 2.587 259 G HA2 -0.208 3.752 3.960 -0.000 0.000 0.217 259 G HA3 -0.208 3.752 3.960 -0.000 0.000 0.217 259 G C 1.440 176.397 174.900 0.096 0.000 1.240 259 G CA 1.114 46.220 45.100 0.011 0.000 0.794 259 G HN 0.412 nan 8.290 nan 0.000 0.580 260 G N -1.418 107.475 108.800 0.156 0.000 3.274 260 G HA2 0.486 4.446 3.960 -0.000 0.000 0.250 260 G HA3 0.486 4.446 3.960 -0.000 0.000 0.250 260 G C 0.472 175.411 174.900 0.065 0.000 1.024 260 G CA -0.053 45.135 45.100 0.146 0.000 0.840 260 G HN 0.474 nan 8.290 nan 0.000 0.522 261 Q N -1.385 118.495 119.800 0.133 0.000 2.605 261 Q HA 0.590 4.930 4.340 -0.000 0.000 0.296 261 Q C 0.223 176.401 176.000 0.298 0.000 1.056 261 Q CA -0.697 55.201 55.803 0.158 0.000 0.778 261 Q CB 2.090 30.852 28.738 0.040 0.000 1.497 261 Q HN 0.131 nan 8.270 nan 0.000 0.443 262 G N -0.391 108.573 108.800 0.275 0.000 3.441 262 G HA2 0.513 4.473 3.960 -0.000 0.000 0.195 262 G HA3 0.513 4.473 3.960 -0.000 0.000 0.195 262 G C -0.210 174.775 174.900 0.142 0.000 1.633 262 G CA -0.054 45.234 45.100 0.314 0.000 0.895 262 G HN 0.556 nan 8.290 nan 0.000 0.654 263 G N 1.268 110.148 108.800 0.135 0.000 2.432 263 G HA2 0.532 4.492 3.960 -0.000 0.000 0.257 263 G HA3 0.532 4.492 3.960 -0.000 0.000 0.257 263 G C -2.085 172.764 174.900 -0.086 0.000 1.238 263 G CA -0.507 44.538 45.100 -0.092 0.000 0.838 263 G HN 0.420 nan 8.290 nan 0.000 0.547 264 P HA 0.259 nan 4.420 nan 0.000 0.279 264 P C -0.384 176.901 177.300 -0.024 0.000 1.276 264 P CA -0.593 62.483 63.100 -0.040 0.000 0.801 264 P CB 1.403 33.007 31.700 -0.161 0.000 1.127 265 L N 1.607 122.845 121.223 0.026 0.000 2.353 265 L HA 0.184 4.524 4.340 -0.000 0.000 0.269 265 L C 1.813 178.648 176.870 -0.059 0.000 1.085 265 L CA -0.583 54.237 54.840 -0.034 0.000 0.938 265 L CB 0.178 42.134 42.059 -0.172 0.000 1.312 265 L HN 0.199 nan 8.230 nan 0.000 0.429 266 M N 0.459 120.072 119.600 0.022 0.000 2.260 266 M HA -0.195 4.285 4.480 -0.000 0.000 0.261 266 M C 2.142 178.472 176.300 0.051 0.000 1.066 266 M CA 1.837 57.144 55.300 0.012 0.000 1.082 266 M CB -1.163 31.436 32.600 -0.002 0.000 1.388 266 M HN 0.681 nan 8.290 nan 0.000 0.419 267 H N -2.070 116.962 119.070 -0.063 0.000 2.462 267 H HA 0.081 4.637 4.556 -0.000 0.000 0.292 267 H C 1.844 177.150 175.328 -0.037 0.000 1.049 267 H CA 0.810 56.828 56.048 -0.049 0.000 1.334 267 H CB -0.571 29.157 29.762 -0.056 0.000 1.404 267 H HN 0.148 nan 8.280 nan 0.000 0.544 268 V N 1.128 120.764 119.914 -0.464 0.000 2.591 268 V HA -0.119 4.001 4.120 -0.000 0.000 0.249 268 V C 2.363 178.372 176.094 -0.141 0.000 1.053 268 V CA 1.193 63.301 62.300 -0.320 0.000 1.068 268 V CB -0.300 31.303 31.823 -0.366 0.000 0.689 268 V HN 0.434 nan 8.190 nan 0.000 0.462 269 I N 0.739 121.243 120.570 -0.110 0.000 2.493 269 I HA -0.160 4.010 4.170 -0.000 0.000 0.254 269 I C 2.624 178.720 176.117 -0.036 0.000 1.160 269 I CA 1.191 62.456 61.300 -0.059 0.000 1.445 269 I CB -0.459 37.511 38.000 -0.051 0.000 1.086 269 I HN 0.286 nan 8.210 nan 0.000 0.433 270 A N 1.014 123.817 122.820 -0.028 0.000 1.898 270 A HA -0.098 4.222 4.320 -0.000 0.000 0.216 270 A C 2.445 180.020 177.584 -0.015 0.000 1.181 270 A CA 1.793 53.825 52.037 -0.010 0.000 0.620 270 A CB -1.308 17.697 19.000 0.009 0.000 0.819 270 A HN 0.432 nan 8.150 nan 0.000 0.442 271 G N -0.317 108.468 108.800 -0.024 0.000 2.422 271 G HA2 -0.211 3.749 3.960 -0.000 0.000 0.218 271 G HA3 -0.211 3.749 3.960 -0.000 0.000 0.218 271 G C 1.663 176.552 174.900 -0.018 0.000 1.146 271 G CA 1.067 46.155 45.100 -0.020 0.000 0.769 271 G HN 0.576 nan 8.290 nan 0.000 0.547 272 K N 0.563 120.950 120.400 -0.023 0.000 2.057 272 K HA 0.040 4.360 4.320 -0.000 0.000 0.207 272 K C 2.946 179.536 176.600 -0.017 0.000 1.049 272 K CA 1.001 57.281 56.287 -0.012 0.000 0.931 272 K CB -0.228 32.266 32.500 -0.011 0.000 0.714 272 K HN 0.258 nan 8.250 nan 0.000 0.440 273 A N 0.944 123.752 122.820 -0.020 0.000 1.933 273 A HA -0.138 4.182 4.320 -0.000 0.000 0.218 273 A C 2.289 179.854 177.584 -0.031 0.000 1.175 273 A CA 1.554 53.578 52.037 -0.023 0.000 0.628 273 A CB -0.659 18.331 19.000 -0.017 0.000 0.814 273 A HN 0.183 nan 8.150 nan 0.000 0.444 274 V N -0.614 119.284 119.914 -0.027 0.000 2.591 274 V HA 0.002 4.122 4.120 -0.000 0.000 0.249 274 V C 2.659 178.724 176.094 -0.049 0.000 1.053 274 V CA 1.872 64.153 62.300 -0.032 0.000 1.068 274 V CB -0.426 31.385 31.823 -0.020 0.000 0.689 274 V HN 0.574 nan 8.190 nan 0.000 0.462 275 A N -0.370 122.422 122.820 -0.046 0.000 1.929 275 A HA -0.027 4.293 4.320 -0.000 0.000 0.216 275 A C 2.075 179.580 177.584 -0.131 0.000 1.176 275 A CA 1.573 53.569 52.037 -0.068 0.000 0.628 275 A CB -0.472 18.511 19.000 -0.029 0.000 0.816 275 A HN 0.546 nan 8.150 nan 0.000 0.444 276 L N -0.911 120.252 121.223 -0.100 0.000 2.362 276 L HA -0.100 4.240 4.340 -0.000 0.000 0.219 276 L C 2.487 179.257 176.870 -0.167 0.000 1.134 276 L CA 1.409 56.170 54.840 -0.131 0.000 0.807 276 L CB -0.252 41.769 42.059 -0.063 0.000 0.927 276 L HN 0.464 nan 8.230 nan 0.000 0.447 277 K N 0.386 120.707 120.400 -0.130 0.000 2.137 277 K HA -0.096 4.224 4.320 -0.000 0.000 0.202 277 K C 1.781 178.291 176.600 -0.150 0.000 1.052 277 K CA 0.722 56.940 56.287 -0.116 0.000 0.961 277 K CB 0.233 32.691 32.500 -0.071 0.000 0.741 277 K HN 0.296 nan 8.250 nan 0.000 0.452 278 E N 0.133 120.230 120.200 -0.172 0.000 2.204 278 E HA -0.120 4.230 4.350 -0.000 0.000 0.194 278 E C 1.687 178.045 176.600 -0.403 0.000 0.989 278 E CA 0.797 57.086 56.400 -0.186 0.000 0.824 278 E CB 0.017 29.639 29.700 -0.130 0.000 0.756 278 E HN 0.346 nan 8.360 nan 0.000 0.477 279 A N 0.680 123.094 122.820 -0.676 0.000 2.172 279 A HA -0.056 4.264 4.320 -0.000 0.000 0.216 279 A C 1.924 179.122 177.584 -0.645 0.000 1.154 279 A CA 0.764 51.955 52.037 -1.410 0.000 0.701 279 A CB -0.306 18.048 19.000 -1.077 0.000 0.789 279 A HN 0.147 nan 8.150 nan 0.000 0.465 280 M N -0.083 119.331 119.600 -0.310 0.000 2.502 280 M HA 0.071 4.551 4.480 -0.000 0.000 0.243 280 M C -0.189 176.095 176.300 -0.025 0.000 1.130 280 M CA 0.212 55.435 55.300 -0.128 0.000 1.055 280 M CB 0.182 32.716 32.600 -0.110 0.000 1.457 280 M HN 0.179 nan 8.290 nan 0.000 0.488 281 E N 0.723 120.922 120.200 -0.000 0.000 2.383 281 E HA 0.060 4.410 4.350 -0.000 0.000 0.264 281 E C -1.808 174.877 176.600 0.142 0.000 1.050 281 E CA -1.541 54.900 56.400 0.069 0.000 0.896 281 E CB 0.245 29.991 29.700 0.077 0.000 0.982 281 E HN -0.006 nan 8.360 nan 0.000 0.424 282 P HA -0.110 nan 4.420 nan 0.000 0.218 282 P C 0.555 177.933 177.300 0.130 0.000 1.149 282 P CA 1.087 64.250 63.100 0.106 0.000 0.817 282 P CB 0.373 32.115 31.700 0.070 0.000 0.785 283 E N -1.636 118.645 120.200 0.135 0.000 2.268 283 E HA -0.147 4.203 4.350 -0.000 0.000 0.195 283 E C 1.544 178.268 176.600 0.207 0.000 0.995 283 E CA 0.725 57.209 56.400 0.140 0.000 0.836 283 E CB -1.056 28.712 29.700 0.113 0.000 0.763 283 E HN 0.281 nan 8.360 nan 0.000 0.491 284 F N 1.257 121.264 119.950 0.095 0.000 2.259 284 F HA -0.002 4.525 4.527 -0.000 0.000 0.298 284 F C 2.003 177.908 175.800 0.176 0.000 1.088 284 F CA 1.147 59.238 58.000 0.152 0.000 1.358 284 F CB 0.168 39.221 39.000 0.088 0.000 1.040 284 F HN -0.158 nan 8.300 nan 0.000 0.505 285 K N -0.285 120.210 120.400 0.158 0.000 2.062 285 K HA -0.135 4.185 4.320 -0.000 0.000 0.205 285 K C 2.002 178.597 176.600 -0.010 0.000 1.051 285 K CA 1.803 58.120 56.287 0.050 0.000 0.941 285 K CB -0.329 32.229 32.500 0.096 0.000 0.719 285 K HN 0.393 nan 8.250 nan 0.000 0.440 286 T N -1.641 112.936 114.554 0.039 0.000 3.023 286 T HA -0.143 4.207 4.350 -0.000 0.000 0.266 286 T C 1.780 176.491 174.700 0.019 0.000 1.093 286 T CA 0.648 62.766 62.100 0.029 0.000 1.129 286 T CB -0.422 68.480 68.868 0.057 0.000 0.899 286 T HN 0.334 nan 8.240 nan 0.000 0.491 287 Y N 2.406 122.645 120.300 -0.102 0.000 2.163 287 Y HA -0.047 4.503 4.550 -0.000 0.000 0.288 287 Y C 2.517 178.313 175.900 -0.173 0.000 1.136 287 Y CA 1.310 59.331 58.100 -0.131 0.000 1.147 287 Y CB -0.565 37.789 38.460 -0.177 0.000 0.987 287 Y HN 0.053 nan 8.280 nan 0.000 0.509 288 Q N 0.678 120.110 119.800 -0.613 0.000 2.124 288 Q HA -0.218 4.122 4.340 -0.000 0.000 0.202 288 Q C 2.162 177.972 176.000 -0.316 0.000 0.977 288 Q CA 1.927 57.370 55.803 -0.600 0.000 0.850 288 Q CB -0.515 27.970 28.738 -0.423 0.000 0.901 288 Q HN 0.706 nan 8.270 nan 0.000 0.429 289 Q N -0.034 119.654 119.800 -0.188 0.000 2.096 289 Q HA -0.172 4.168 4.340 -0.000 0.000 0.204 289 Q C 2.152 178.098 176.000 -0.089 0.000 0.982 289 Q CA 0.976 56.723 55.803 -0.093 0.000 0.850 289 Q CB 0.003 28.715 28.738 -0.044 0.000 0.901 289 Q HN 0.293 nan 8.270 nan 0.000 0.422 290 Q N -0.003 119.732 119.800 -0.108 0.000 2.119 290 Q HA -0.109 4.231 4.340 -0.000 0.000 0.201 290 Q C 2.256 178.200 176.000 -0.094 0.000 0.972 290 Q CA 0.981 56.744 55.803 -0.066 0.000 0.847 290 Q CB -0.171 28.557 28.738 -0.016 0.000 0.903 290 Q HN 0.262 nan 8.270 nan 0.000 0.433 291 V N 1.032 120.817 119.914 -0.214 0.000 2.233 291 V HA -0.304 3.816 4.120 -0.000 0.000 0.247 291 V C 2.414 178.469 176.094 -0.065 0.000 1.050 291 V CA 2.061 64.250 62.300 -0.186 0.000 1.010 291 V CB -1.215 30.402 31.823 -0.343 0.000 0.637 291 V HN 0.356 nan 8.190 nan 0.000 0.444 292 A N -0.515 122.271 122.820 -0.056 0.000 1.902 292 A HA -0.286 4.034 4.320 -0.000 0.000 0.217 292 A C 2.325 179.911 177.584 0.003 0.000 1.181 292 A CA 2.317 54.358 52.037 0.006 0.000 0.623 292 A CB -0.541 18.471 19.000 0.021 0.000 0.818 292 A HN 0.535 nan 8.150 nan 0.000 0.443 293 K N -0.421 119.971 120.400 -0.014 0.000 2.032 293 K HA -0.191 4.129 4.320 -0.000 0.000 0.209 293 K C 1.791 178.392 176.600 0.001 0.000 1.048 293 K CA 1.695 57.977 56.287 -0.008 0.000 0.927 293 K CB -0.179 32.314 32.500 -0.012 0.000 0.712 293 K HN 0.438 nan 8.250 nan 0.000 0.441 294 N N 0.484 119.189 118.700 0.008 0.000 2.166 294 N HA -0.139 4.601 4.740 -0.000 0.000 0.186 294 N C 1.584 177.125 175.510 0.052 0.000 1.019 294 N CA 1.274 54.342 53.050 0.030 0.000 0.856 294 N CB -0.350 38.163 38.487 0.043 0.000 0.993 294 N HN 0.286 nan 8.380 nan 0.000 0.426 295 A N 1.438 124.293 122.820 0.060 0.000 1.902 295 A HA -0.145 4.175 4.320 -0.000 0.000 0.217 295 A C 2.156 179.767 177.584 0.046 0.000 1.181 295 A CA 1.379 53.488 52.037 0.119 0.000 0.623 295 A CB -0.352 18.714 19.000 0.109 0.000 0.818 295 A HN 0.245 nan 8.150 nan 0.000 0.443 296 K N -0.413 119.985 120.400 -0.004 0.000 2.097 296 K HA -0.031 4.289 4.320 -0.000 0.000 0.205 296 K C 2.286 178.846 176.600 -0.068 0.000 1.050 296 K CA 1.031 57.284 56.287 -0.056 0.000 0.938 296 K CB -0.302 32.175 32.500 -0.038 0.000 0.718 296 K HN 0.445 nan 8.250 nan 0.000 0.442 297 A N 1.232 124.034 122.820 -0.030 0.000 1.933 297 A HA -0.151 4.169 4.320 -0.000 0.000 0.218 297 A C 2.090 179.662 177.584 -0.020 0.000 1.175 297 A CA 1.434 53.455 52.037 -0.026 0.000 0.628 297 A CB -0.413 18.579 19.000 -0.014 0.000 0.814 297 A HN 0.185 nan 8.150 nan 0.000 0.444 298 M N -0.981 118.625 119.600 0.011 0.000 2.200 298 M HA -0.084 4.396 4.480 -0.000 0.000 0.265 298 M C 2.065 178.332 176.300 -0.054 0.000 1.066 298 M CA 0.990 56.341 55.300 0.085 0.000 1.127 298 M CB -0.355 32.401 32.600 0.261 0.000 1.379 298 M HN 0.239 nan 8.290 nan 0.000 0.420 299 V N 0.777 120.465 119.914 -0.377 0.000 2.343 299 V HA -0.258 3.862 4.120 -0.000 0.000 0.247 299 V C 2.057 178.041 176.094 -0.183 0.000 1.051 299 V CA 1.884 63.855 62.300 -0.549 0.000 1.036 299 V CB -0.657 30.826 31.823 -0.566 0.000 0.654 299 V HN 0.477 nan 8.190 nan 0.000 0.451 300 E N -0.152 119.981 120.200 -0.111 0.000 2.033 300 E HA -0.233 4.117 4.350 -0.000 0.000 0.199 300 E C 2.233 178.824 176.600 -0.015 0.000 1.011 300 E CA 1.969 58.336 56.400 -0.055 0.000 0.815 300 E CB -0.367 29.305 29.700 -0.048 0.000 0.755 300 E HN 0.445 nan 8.360 nan 0.000 0.451 301 V N 0.794 120.706 119.914 -0.005 0.000 2.282 301 V HA -0.280 3.840 4.120 -0.000 0.000 0.249 301 V C 2.074 178.161 176.094 -0.011 0.000 1.057 301 V CA 1.905 64.192 62.300 -0.023 0.000 1.032 301 V CB -0.644 31.145 31.823 -0.056 0.000 0.645 301 V HN 0.203 nan 8.190 nan 0.000 0.447 302 F N -0.324 119.576 119.950 -0.084 0.000 2.161 302 F HA -0.163 4.364 4.527 -0.000 0.000 0.300 302 F C 2.135 177.974 175.800 0.064 0.000 1.089 302 F CA 1.583 59.569 58.000 -0.022 0.000 1.282 302 F CB -0.450 38.486 39.000 -0.107 0.000 1.010 302 F HN 0.060 nan 8.300 nan 0.000 0.485 303 L N -0.700 120.616 121.223 0.154 0.000 2.072 303 L HA -0.162 4.178 4.340 -0.000 0.000 0.205 303 L C 2.206 179.109 176.870 0.055 0.000 1.079 303 L CA 1.267 56.160 54.840 0.088 0.000 0.752 303 L CB -0.687 41.385 42.059 0.021 0.000 0.906 303 L HN 0.110 nan 8.230 nan 0.000 0.436 304 E N -0.084 120.134 120.200 0.030 0.000 2.265 304 E HA -0.153 4.197 4.350 -0.000 0.000 0.196 304 E C 1.724 178.333 176.600 0.015 0.000 0.996 304 E CA 0.506 56.911 56.400 0.009 0.000 0.832 304 E CB 0.139 29.834 29.700 -0.008 0.000 0.756 304 E HN 0.282 nan 8.360 nan 0.000 0.491 305 R N -0.494 120.036 120.500 0.049 0.000 2.334 305 R HA 0.083 4.423 4.340 -0.000 0.000 0.216 305 R C 0.901 177.233 176.300 0.054 0.000 0.905 305 R CA 0.608 56.755 56.100 0.078 0.000 1.064 305 R CB 0.728 31.092 30.300 0.106 0.000 1.046 305 R HN 0.253 nan 8.270 nan 0.000 0.508 306 G N 0.835 109.644 108.800 0.013 0.000 2.142 306 G HA2 -0.289 3.671 3.960 -0.000 0.000 0.225 306 G HA3 -0.289 3.671 3.960 -0.000 0.000 0.225 306 G C -0.509 174.242 174.900 -0.249 0.000 1.015 306 G CA -0.172 44.856 45.100 -0.120 0.000 0.716 306 G HN 0.288 nan 8.290 nan 0.000 0.508 307 Y N -0.173 120.160 120.300 0.054 0.000 2.360 307 Y HA 0.539 5.089 4.550 -0.000 0.000 0.337 307 Y C 0.777 176.733 175.900 0.093 0.000 1.039 307 Y CA -0.849 57.318 58.100 0.112 0.000 1.109 307 Y CB 1.405 40.018 38.460 0.255 0.000 1.201 307 Y HN 0.063 nan 8.280 nan 0.000 0.458 308 K N 3.107 123.620 120.400 0.189 0.000 2.338 308 K HA 0.358 4.678 4.320 -0.000 0.000 0.290 308 K C -1.355 175.307 176.600 0.105 0.000 1.069 308 K CA -0.161 56.188 56.287 0.104 0.000 0.941 308 K CB 0.230 32.765 32.500 0.058 0.000 1.023 308 K HN 0.498 nan 8.250 nan 0.000 0.477 309 V N 5.911 125.856 119.914 0.052 0.000 2.333 309 V HA 0.088 4.208 4.120 -0.000 0.000 0.274 309 V C 0.138 176.217 176.094 -0.024 0.000 1.028 309 V CA -0.904 61.395 62.300 -0.002 0.000 0.851 309 V CB 1.335 33.095 31.823 -0.104 0.000 1.000 309 V HN 0.537 nan 8.190 nan 0.000 0.456 310 V N 5.039 124.940 119.914 -0.023 0.000 2.814 310 V HA 0.017 4.137 4.120 -0.000 0.000 0.307 310 V C 1.340 177.375 176.094 -0.098 0.000 1.089 310 V CA 1.267 63.534 62.300 -0.055 0.000 1.212 310 V CB 0.650 32.434 31.823 -0.064 0.000 0.912 310 V HN 1.219 nan 8.190 nan 0.000 0.497 311 S N 2.433 118.067 115.700 -0.110 0.000 2.929 311 S HA -0.255 4.215 4.470 -0.000 0.000 0.271 311 S C 1.524 176.088 174.600 -0.060 0.000 1.295 311 S CA 1.445 59.530 58.200 -0.190 0.000 1.277 311 S CB -1.631 61.330 63.200 -0.398 0.000 1.557 311 S HN 2.352 nan 8.310 nan 0.000 0.666 312 G N 0.051 108.826 108.800 -0.041 0.000 2.228 312 G HA2 0.035 3.995 3.960 -0.000 0.000 0.270 312 G HA3 0.035 3.995 3.960 -0.000 0.000 0.270 312 G C 0.792 175.657 174.900 -0.059 0.000 0.976 312 G CA 1.112 46.198 45.100 -0.024 0.000 0.636 312 G HN 1.969 nan 8.290 nan 0.000 0.542 313 G N -2.831 105.914 108.800 -0.093 0.000 2.428 313 G HA2 0.691 4.651 3.960 -0.000 0.000 0.305 313 G HA3 0.691 4.651 3.960 -0.000 0.000 0.305 313 G C -0.957 173.861 174.900 -0.137 0.000 1.260 313 G CA 0.717 45.744 45.100 -0.121 0.000 0.853 313 G HN 1.323 nan 8.290 nan 0.000 0.480 314 T N -0.674 113.811 114.554 -0.115 0.000 2.956 314 T HA 0.573 4.923 4.350 -0.000 0.000 0.312 314 T C -1.343 173.321 174.700 -0.059 0.000 1.151 314 T CA -0.433 61.608 62.100 -0.098 0.000 1.024 314 T CB 1.866 70.712 68.868 -0.037 0.000 1.140 314 T HN 0.307 nan 8.240 nan 0.000 0.473 315 D N 2.671 123.041 120.400 -0.051 0.000 2.513 315 D HA 0.195 4.835 4.640 -0.000 0.000 0.222 315 D C 0.226 176.607 176.300 0.135 0.000 1.210 315 D CA -0.055 53.955 54.000 0.016 0.000 0.825 315 D CB 0.663 41.454 40.800 -0.015 0.000 1.037 315 D HN 0.674 nan 8.370 nan 0.000 0.506 316 N N -0.780 117.987 118.700 0.113 0.000 3.630 316 N HA -0.027 4.713 4.740 -0.000 0.000 0.345 316 N C 0.824 176.418 175.510 0.139 0.000 1.621 316 N CA -0.413 52.763 53.050 0.209 0.000 0.678 316 N CB -0.089 38.568 38.487 0.284 0.000 2.628 316 N HN -0.172 nan 8.380 nan 0.000 0.616 317 H N -0.848 118.243 119.070 0.034 0.000 2.548 317 H HA 0.346 4.902 4.556 -0.000 0.000 0.265 317 H C 0.118 175.446 175.328 -0.000 0.000 0.969 317 H CA 0.064 56.115 56.048 0.005 0.000 1.155 317 H CB -0.362 29.390 29.762 -0.017 0.000 1.394 317 H HN 0.520 nan 8.280 nan 0.000 0.570 318 L N -1.489 119.413 121.223 -0.535 0.000 2.250 318 L HA 0.771 5.111 4.340 -0.000 0.000 0.252 318 L C -1.102 175.648 176.870 -0.200 0.000 1.054 318 L CA -1.711 52.854 54.840 -0.458 0.000 0.856 318 L CB 1.710 43.402 42.059 -0.613 0.000 1.443 318 L HN -0.028 nan 8.230 nan 0.000 0.427 319 F N -1.871 117.909 119.950 -0.283 0.000 2.725 319 F HA 0.781 5.308 4.527 -0.000 0.000 0.309 319 F C -2.125 173.524 175.800 -0.252 0.000 1.132 319 F CA -1.278 56.560 58.000 -0.270 0.000 0.957 319 F CB 0.862 39.703 39.000 -0.265 0.000 1.286 319 F HN 0.549 nan 8.300 nan 0.000 0.440 320 L N 2.645 123.879 121.223 0.018 0.000 2.325 320 L HA 0.798 5.137 4.340 -0.000 0.000 0.278 320 L C -0.908 175.991 176.870 0.048 0.000 1.023 320 L CA -1.457 53.355 54.840 -0.046 0.000 0.811 320 L CB 2.013 44.034 42.059 -0.062 0.000 1.249 320 L HN 0.616 nan 8.230 nan 0.000 0.431 321 V N 1.664 121.581 119.914 0.006 0.000 2.350 321 V HA 0.177 4.297 4.120 -0.000 0.000 0.285 321 V C -0.329 175.809 176.094 0.074 0.000 1.014 321 V CA -0.626 61.712 62.300 0.064 0.000 0.831 321 V CB 1.500 33.354 31.823 0.052 0.000 1.000 321 V HN 0.622 nan 8.190 nan 0.000 0.433 322 D N 4.724 125.172 120.400 0.081 0.000 2.325 322 D HA 0.228 4.868 4.640 -0.000 0.000 0.251 322 D C 0.462 176.825 176.300 0.105 0.000 1.196 322 D CA 0.007 54.044 54.000 0.062 0.000 0.866 322 D CB 1.480 42.300 40.800 0.033 0.000 1.101 322 D HN 0.479 nan 8.370 nan 0.000 0.476 323 L N 3.765 125.044 121.223 0.094 0.000 2.818 323 L HA 0.081 4.421 4.340 -0.000 0.000 0.243 323 L C 2.029 178.939 176.870 0.067 0.000 1.185 323 L CA -0.320 54.589 54.840 0.115 0.000 0.988 323 L CB 0.588 42.722 42.059 0.124 0.000 1.292 323 L HN 0.250 nan 8.230 nan 0.000 0.519 324 V N 1.003 120.943 119.914 0.043 0.000 2.287 324 V HA -0.293 3.827 4.120 -0.000 0.000 0.248 324 V C 2.323 178.429 176.094 0.019 0.000 1.053 324 V CA 2.354 64.670 62.300 0.027 0.000 1.027 324 V CB -0.450 31.383 31.823 0.016 0.000 0.646 324 V HN 0.714 nan 8.190 nan 0.000 0.447 325 D N -0.475 119.933 120.400 0.012 0.000 2.378 325 D HA -0.174 4.466 4.640 -0.000 0.000 0.222 325 D C 1.463 177.756 176.300 -0.013 0.000 0.980 325 D CA 0.730 54.727 54.000 -0.005 0.000 0.907 325 D CB -0.154 40.634 40.800 -0.019 0.000 0.899 325 D HN 0.339 nan 8.370 nan 0.000 0.527 326 K N 0.371 120.774 120.400 0.006 0.000 2.358 326 K HA 0.052 4.372 4.320 -0.000 0.000 0.197 326 K C 0.115 176.731 176.600 0.027 0.000 1.025 326 K CA -0.318 55.974 56.287 0.009 0.000 1.104 326 K CB 0.055 32.584 32.500 0.047 0.000 0.855 326 K HN 0.054 nan 8.250 nan 0.000 0.531 327 N N 1.223 119.937 118.700 0.025 0.000 2.714 327 N HA -0.213 4.527 4.740 -0.000 0.000 0.253 327 N C -0.868 174.662 175.510 0.035 0.000 1.024 327 N CA 0.781 53.846 53.050 0.025 0.000 0.726 327 N CB -1.375 37.123 38.487 0.018 0.000 0.908 327 N HN 0.251 nan 8.380 nan 0.000 0.542 328 L N -0.111 121.139 121.223 0.045 0.000 2.388 328 L HA 0.482 4.822 4.340 -0.000 0.000 0.264 328 L C 0.697 177.593 176.870 0.042 0.000 0.998 328 L CA -0.761 54.108 54.840 0.049 0.000 0.817 328 L CB 2.222 44.325 42.059 0.073 0.000 1.338 328 L HN 0.135 nan 8.230 nan 0.000 0.414 329 T N -1.944 112.629 114.554 0.032 0.000 2.928 329 T HA 0.321 4.671 4.350 -0.000 0.000 0.284 329 T C 1.191 175.899 174.700 0.013 0.000 1.008 329 T CA -0.092 62.022 62.100 0.022 0.000 1.057 329 T CB 1.793 70.673 68.868 0.019 0.000 1.018 329 T HN 0.707 nan 8.240 nan 0.000 0.493 330 G N 0.741 109.540 108.800 -0.001 0.000 2.450 330 G HA2 -0.230 3.730 3.960 -0.000 0.000 0.220 330 G HA3 -0.230 3.730 3.960 -0.000 0.000 0.220 330 G C 1.328 176.207 174.900 -0.036 0.000 1.130 330 G CA 0.843 45.932 45.100 -0.018 0.000 0.760 330 G HN 0.828 nan 8.290 nan 0.000 0.557 331 K N 0.355 120.727 120.400 -0.047 0.000 2.097 331 K HA -0.099 4.221 4.320 -0.000 0.000 0.206 331 K C 2.370 178.953 176.600 -0.028 0.000 1.049 331 K CA 1.450 57.698 56.287 -0.064 0.000 0.933 331 K CB -0.119 32.345 32.500 -0.061 0.000 0.717 331 K HN 0.443 nan 8.250 nan 0.000 0.442 332 E N -0.133 120.064 120.200 -0.004 0.000 2.028 332 E HA -0.150 4.200 4.350 -0.000 0.000 0.190 332 E C 2.033 178.640 176.600 0.011 0.000 0.984 332 E CA 0.903 57.309 56.400 0.009 0.000 0.800 332 E CB -0.115 29.597 29.700 0.021 0.000 0.758 332 E HN 0.381 nan 8.360 nan 0.000 0.448 333 A N 2.113 124.942 122.820 0.016 0.000 1.865 333 A HA -0.289 4.031 4.320 -0.000 0.000 0.217 333 A C 2.073 179.659 177.584 0.005 0.000 1.191 333 A CA 1.972 54.022 52.037 0.022 0.000 0.623 333 A CB -0.763 18.257 19.000 0.033 0.000 0.826 333 A HN 0.320 nan 8.150 nan 0.000 0.444 334 D N 0.168 120.561 120.400 -0.013 0.000 2.126 334 D HA -0.189 4.451 4.640 -0.000 0.000 0.190 334 D C 2.091 178.381 176.300 -0.017 0.000 1.001 334 D CA 1.994 55.979 54.000 -0.025 0.000 0.841 334 D CB -0.237 40.533 40.800 -0.050 0.000 0.949 334 D HN 0.338 nan 8.370 nan 0.000 0.446 335 A N 0.868 123.680 122.820 -0.014 0.000 1.933 335 A HA 0.037 4.357 4.320 -0.000 0.000 0.218 335 A C 2.459 180.041 177.584 -0.002 0.000 1.175 335 A CA 2.370 54.403 52.037 -0.006 0.000 0.628 335 A CB -0.757 18.243 19.000 -0.001 0.000 0.814 335 A HN 0.390 nan 8.150 nan 0.000 0.444 336 A N -0.236 122.586 122.820 0.002 0.000 1.873 336 A HA 0.008 4.328 4.320 -0.000 0.000 0.215 336 A C 2.129 179.711 177.584 -0.003 0.000 1.186 336 A CA 1.404 53.443 52.037 0.004 0.000 0.616 336 A CB -0.631 18.377 19.000 0.014 0.000 0.823 336 A HN 0.447 nan 8.150 nan 0.000 0.442 337 L N -0.454 120.768 121.223 -0.001 0.000 2.131 337 L HA -0.126 4.214 4.340 -0.000 0.000 0.210 337 L C 2.745 179.594 176.870 -0.035 0.000 1.092 337 L CA 0.915 55.752 54.840 -0.005 0.000 0.759 337 L CB -0.619 41.445 42.059 0.008 0.000 0.903 337 L HN 0.506 nan 8.230 nan 0.000 0.435 338 G N -0.299 108.480 108.800 -0.036 0.000 2.418 338 G HA2 -0.224 3.736 3.960 -0.000 0.000 0.217 338 G HA3 -0.224 3.736 3.960 -0.000 0.000 0.217 338 G C 1.696 176.551 174.900 -0.076 0.000 1.158 338 G CA 0.249 45.314 45.100 -0.058 0.000 0.771 338 G HN 0.290 nan 8.290 nan 0.000 0.545 339 R N 0.401 120.878 120.500 -0.039 0.000 2.285 339 R HA 0.114 4.454 4.340 -0.000 0.000 0.213 339 R C 2.145 178.413 176.300 -0.053 0.000 1.068 339 R CA 0.685 56.766 56.100 -0.032 0.000 1.004 339 R CB -0.041 30.251 30.300 -0.014 0.000 0.873 339 R HN 0.342 nan 8.270 nan 0.000 0.467 340 A N 0.552 123.331 122.820 -0.070 0.000 2.423 340 A HA 0.129 4.449 4.320 -0.000 0.000 0.246 340 A C -0.056 177.458 177.584 -0.117 0.000 1.278 340 A CA -0.342 51.649 52.037 -0.076 0.000 0.903 340 A CB 0.117 19.088 19.000 -0.048 0.000 0.997 340 A HN 0.319 nan 8.150 nan 0.000 0.510 341 N N -1.216 117.353 118.700 -0.218 0.000 2.776 341 N HA -0.139 4.601 4.740 -0.000 0.000 0.250 341 N C -0.653 174.653 175.510 -0.341 0.000 1.112 341 N CA 1.089 53.861 53.050 -0.464 0.000 0.733 341 N CB -1.574 36.760 38.487 -0.256 0.000 1.097 341 N HN 0.595 nan 8.380 nan 0.000 0.558 342 I N 0.490 120.949 120.570 -0.185 0.000 2.390 342 I HA 0.170 4.340 4.170 -0.000 0.000 0.283 342 I C 0.018 176.099 176.117 -0.059 0.000 1.016 342 I CA -0.357 60.908 61.300 -0.059 0.000 1.151 342 I CB 1.379 39.396 38.000 0.028 0.000 1.293 342 I HN -0.107 nan 8.210 nan 0.000 0.458 343 T N 6.419 120.954 114.554 -0.031 0.000 2.728 343 T HA 0.462 4.812 4.350 -0.000 0.000 0.296 343 T C 0.399 175.093 174.700 -0.010 0.000 0.940 343 T CA -0.426 61.677 62.100 0.006 0.000 1.013 343 T CB 1.139 70.060 68.868 0.088 0.000 0.912 343 T HN 0.442 nan 8.240 nan 0.000 0.484 344 V N 1.303 121.202 119.914 -0.024 0.000 3.998 344 V HA 0.786 4.906 4.120 -0.000 0.000 0.297 344 V C -0.784 175.281 176.094 -0.048 0.000 1.378 344 V CA -1.163 61.106 62.300 -0.051 0.000 0.949 344 V CB 1.791 33.577 31.823 -0.063 0.000 1.258 344 V HN 0.909 nan 8.190 nan 0.000 0.471 345 N N -0.206 118.454 118.700 -0.066 0.000 2.452 345 N HA 0.241 4.981 4.740 -0.000 0.000 0.277 345 N C -1.220 174.244 175.510 -0.076 0.000 1.078 345 N CA -0.723 52.288 53.050 -0.064 0.000 0.947 345 N CB 2.429 40.888 38.487 -0.048 0.000 1.655 345 N HN 0.968 nan 8.380 nan 0.000 0.490 346 K N 1.723 122.070 120.400 -0.089 0.000 2.489 346 K HA 0.130 4.450 4.320 -0.000 0.000 0.278 346 K C -0.984 175.570 176.600 -0.078 0.000 1.000 346 K CA 0.056 56.289 56.287 -0.089 0.000 1.012 346 K CB 0.328 32.751 32.500 -0.129 0.000 0.903 346 K HN 0.590 nan 8.250 nan 0.000 0.485 347 N N 0.895 119.558 118.700 -0.061 0.000 2.287 347 N HA 0.145 4.884 4.740 -0.000 0.000 0.289 347 N C -1.607 173.882 175.510 -0.035 0.000 1.066 347 N CA -0.491 52.529 53.050 -0.049 0.000 0.841 347 N CB 2.142 40.593 38.487 -0.060 0.000 1.599 347 N HN 0.617 nan 8.380 nan 0.000 0.476 348 S N 0.503 116.190 115.700 -0.023 0.000 2.579 348 S HA 0.342 4.812 4.470 -0.000 0.000 0.275 348 S C 0.091 174.677 174.600 -0.023 0.000 1.345 348 S CA -0.606 57.587 58.200 -0.013 0.000 1.031 348 S CB 0.530 63.731 63.200 0.001 0.000 0.892 348 S HN 0.405 nan 8.310 nan 0.000 0.529 349 V N -0.630 119.267 119.914 -0.028 0.000 3.158 349 V HA 0.698 4.818 4.120 -0.000 0.000 0.315 349 V C -3.082 172.958 176.094 -0.091 0.000 1.148 349 V CA -3.244 59.022 62.300 -0.056 0.000 1.042 349 V CB 0.859 32.654 31.823 -0.046 0.000 1.101 349 V HN 0.502 nan 8.190 nan 0.000 0.448 350 P HA 0.246 nan 4.420 nan 0.000 0.267 350 P C -0.263 176.942 177.300 -0.157 0.000 1.205 350 P CA 0.579 63.460 63.100 -0.365 0.000 0.765 350 P CB -0.051 31.311 31.700 -0.564 0.000 0.828 351 N N 0.001 118.672 118.700 -0.048 0.000 2.747 351 N HA -0.187 4.553 4.740 -0.000 0.000 0.249 351 N C -0.195 175.321 175.510 0.009 0.000 1.107 351 N CA 0.850 53.912 53.050 0.021 0.000 0.707 351 N CB -1.494 37.000 38.487 0.012 0.000 1.054 351 N HN 0.561 nan 8.380 nan 0.000 0.555 352 D N 1.578 121.981 120.400 0.005 0.000 2.434 352 D HA 0.041 4.681 4.640 -0.000 0.000 0.252 352 D C -0.599 175.712 176.300 0.018 0.000 1.185 352 D CA -0.883 53.122 54.000 0.007 0.000 0.886 352 D CB 0.914 41.718 40.800 0.006 0.000 1.148 352 D HN 0.201 nan 8.370 nan 0.000 0.483 353 P HA -0.028 nan 4.420 nan 0.000 0.233 353 P C 0.091 177.405 177.300 0.024 0.000 1.167 353 P CA 0.467 63.579 63.100 0.020 0.000 0.770 353 P CB 0.545 32.255 31.700 0.018 0.000 0.837 354 K N 0.600 121.015 120.400 0.025 0.000 2.139 354 K HA 0.349 4.669 4.320 -0.000 0.000 0.243 354 K C 0.738 177.360 176.600 0.038 0.000 0.983 354 K CA -0.508 55.799 56.287 0.032 0.000 0.890 354 K CB 1.218 33.737 32.500 0.032 0.000 1.090 354 K HN 0.038 nan 8.250 nan 0.000 0.445 355 S N 0.024 115.755 115.700 0.052 0.000 2.614 355 S HA 0.219 4.689 4.470 -0.000 0.000 0.265 355 S C -1.830 172.815 174.600 0.076 0.000 1.303 355 S CA -0.961 57.276 58.200 0.062 0.000 1.000 355 S CB 0.866 64.110 63.200 0.072 0.000 0.935 355 S HN 0.233 nan 8.310 nan 0.000 0.551 356 P HA -0.123 nan 4.420 nan 0.000 0.218 356 P C 0.803 178.164 177.300 0.101 0.000 1.146 356 P CA 1.118 64.261 63.100 0.073 0.000 0.820 356 P CB -0.053 31.689 31.700 0.071 0.000 0.778 357 F N -1.313 118.637 119.950 0.001 0.000 2.512 357 F HA -0.037 4.490 4.527 -0.000 0.000 0.296 357 F C 1.798 177.602 175.800 0.007 0.000 1.110 357 F CA 0.842 58.845 58.000 0.004 0.000 1.446 357 F CB 0.049 39.052 39.000 0.004 0.000 1.092 357 F HN -0.282 nan 8.300 nan 0.000 0.554 358 V N -0.977 118.992 119.914 0.092 0.000 2.599 358 V HA 0.056 4.176 4.120 -0.000 0.000 0.237 358 V C 0.732 176.820 176.094 -0.010 0.000 1.081 358 V CA 1.008 63.328 62.300 0.033 0.000 1.107 358 V CB -0.555 31.315 31.823 0.079 0.000 0.808 358 V HN 0.448 nan 8.190 nan 0.000 0.486 359 T N -0.783 113.776 114.554 0.009 0.000 0.541 359 T HA -0.250 4.100 4.350 -0.000 0.000 0.774 359 T C 0.130 174.832 174.700 0.003 0.000 0.992 359 T CA 0.416 62.516 62.100 -0.001 0.000 4.077 359 T CB -1.360 67.494 68.868 -0.023 0.000 2.303 359 T HN 0.377 nan 8.240 nan 0.000 0.398 360 S N 1.486 117.189 115.700 0.005 0.000 2.711 360 S HA 0.651 5.121 4.470 -0.000 0.000 0.247 360 S C 0.638 175.248 174.600 0.017 0.000 1.079 360 S CA -0.102 58.107 58.200 0.014 0.000 1.050 360 S CB 0.557 63.767 63.200 0.015 0.000 0.885 360 S HN 1.321 nan 8.310 nan 0.000 0.498 361 G N 1.495 110.297 108.800 0.005 0.000 2.550 361 G HA2 0.648 4.608 3.960 -0.000 0.000 0.293 361 G HA3 0.648 4.608 3.960 -0.000 0.000 0.293 361 G C -1.779 173.110 174.900 -0.020 0.000 1.402 361 G CA -0.780 44.323 45.100 0.005 0.000 0.784 361 G HN 0.354 nan 8.290 nan 0.000 0.482 362 I N -2.393 118.156 120.570 -0.034 0.000 2.769 362 I HA 0.834 5.004 4.170 -0.000 0.000 0.298 362 I C -0.725 175.308 176.117 -0.140 0.000 1.128 362 I CA -1.255 60.000 61.300 -0.074 0.000 1.031 362 I CB 2.633 40.599 38.000 -0.058 0.000 1.235 362 I HN 0.559 nan 8.210 nan 0.000 0.423 363 R N 3.903 124.301 120.500 -0.171 0.000 2.407 363 R HA 0.806 5.146 4.340 -0.000 0.000 0.303 363 R C -1.672 174.409 176.300 -0.365 0.000 0.981 363 R CA -0.549 55.397 56.100 -0.258 0.000 0.905 363 R CB 1.941 32.137 30.300 -0.173 0.000 1.099 363 R HN 0.686 nan 8.270 nan 0.000 0.459 364 V N 2.648 122.169 119.914 -0.655 0.000 2.656 364 V HA 0.702 4.822 4.120 -0.000 0.000 0.307 364 V C 0.116 175.800 176.094 -0.685 0.000 1.051 364 V CA -0.743 61.109 62.300 -0.745 0.000 0.893 364 V CB 1.959 33.087 31.823 -1.157 0.000 0.999 364 V HN 0.961 nan 8.190 nan 0.000 0.426 365 G N 0.780 109.359 108.800 -0.368 0.000 2.620 365 G HA2 0.549 4.509 3.960 -0.000 0.000 0.301 365 G HA3 0.549 4.509 3.960 -0.000 0.000 0.301 365 G C 0.311 175.143 174.900 -0.113 0.000 1.347 365 G CA 0.243 45.216 45.100 -0.212 0.000 0.971 365 G HN 0.782 nan 8.290 nan 0.000 0.488 366 T N -1.182 113.348 114.554 -0.039 0.000 3.040 366 T HA 0.221 4.571 4.350 -0.000 0.000 0.250 366 T C -0.823 173.868 174.700 -0.015 0.000 1.058 366 T CA -0.066 62.023 62.100 -0.018 0.000 0.988 366 T CB 0.215 69.092 68.868 0.015 0.000 0.993 366 T HN 0.227 nan 8.240 nan 0.000 0.519 367 P HA -0.064 nan 4.420 nan 0.000 0.215 367 P C 1.854 179.185 177.300 0.051 0.000 1.157 367 P CA 1.735 64.846 63.100 0.018 0.000 0.874 367 P CB -0.265 31.442 31.700 0.011 0.000 0.790 368 A N 0.045 122.817 122.820 -0.079 0.000 1.841 368 A HA -0.182 4.138 4.320 -0.000 0.000 0.214 368 A C 2.192 179.767 177.584 -0.014 0.000 1.195 368 A CA 1.977 53.903 52.037 -0.185 0.000 0.611 368 A CB -1.794 16.982 19.000 -0.372 0.000 0.835 368 A HN 0.301 nan 8.150 nan 0.000 0.443 369 I N -2.560 117.933 120.570 -0.129 0.000 2.454 369 I HA -0.155 4.015 4.170 -0.000 0.000 0.254 369 I C 2.021 178.074 176.117 -0.106 0.000 1.156 369 I CA 2.069 63.165 61.300 -0.340 0.000 1.433 369 I CB -1.078 36.540 38.000 -0.637 0.000 1.082 369 I HN 0.152 nan 8.210 nan 0.000 0.432 370 T N 1.207 115.791 114.554 0.051 0.000 2.737 370 T HA -0.151 4.199 4.350 -0.000 0.000 0.265 370 T C 1.966 176.852 174.700 0.311 0.000 1.038 370 T CA 1.805 64.009 62.100 0.173 0.000 1.144 370 T CB -0.341 68.591 68.868 0.106 0.000 0.866 370 T HN 0.435 nan 8.240 nan 0.000 0.434 371 R N 1.148 121.877 120.500 0.382 0.000 2.237 371 R HA 0.068 4.408 4.340 -0.000 0.000 0.219 371 R C 2.300 178.672 176.300 0.120 0.000 1.080 371 R CA 1.004 57.213 56.100 0.182 0.000 0.995 371 R CB -0.086 30.255 30.300 0.068 0.000 0.875 371 R HN 0.218 nan 8.270 nan 0.000 0.462 372 R N -1.131 119.458 120.500 0.149 0.000 2.297 372 R HA 0.050 4.390 4.340 -0.000 0.000 0.197 372 R C 0.566 177.015 176.300 0.248 0.000 0.943 372 R CA 0.949 57.116 56.100 0.113 0.000 1.038 372 R CB 0.388 30.709 30.300 0.034 0.000 0.957 372 R HN 0.447 nan 8.270 nan 0.000 0.484 373 G N -0.575 108.383 108.800 0.264 0.000 2.284 373 G HA2 -0.214 3.746 3.960 -0.000 0.000 0.201 373 G HA3 -0.214 3.746 3.960 -0.000 0.000 0.201 373 G C -0.082 174.978 174.900 0.267 0.000 0.998 373 G CA -0.378 44.930 45.100 0.347 0.000 0.651 373 G HN 0.127 nan 8.290 nan 0.000 0.489 374 F N 2.086 121.926 119.950 -0.183 0.000 2.595 374 F HA 0.539 5.066 4.527 -0.000 0.000 0.359 374 F C 1.193 176.935 175.800 -0.096 0.000 1.147 374 F CA 0.383 58.224 58.000 -0.265 0.000 1.341 374 F CB 0.588 39.452 39.000 -0.227 0.000 1.104 374 F HN 0.111 nan 8.300 nan 0.000 0.603 375 K N 1.206 121.619 120.400 0.020 0.000 2.283 375 K HA 0.276 4.596 4.320 -0.000 0.000 0.257 375 K C 0.833 177.425 176.600 -0.013 0.000 1.066 375 K CA -0.855 55.445 56.287 0.023 0.000 0.891 375 K CB 1.465 33.975 32.500 0.017 0.000 1.438 375 K HN 0.298 nan 8.250 nan 0.000 0.464 376 E N 0.774 120.968 120.200 -0.011 0.000 2.136 376 E HA -0.311 4.039 4.350 -0.000 0.000 0.202 376 E C 1.711 178.275 176.600 -0.061 0.000 1.019 376 E CA 2.290 58.675 56.400 -0.025 0.000 0.819 376 E CB -0.278 29.410 29.700 -0.021 0.000 0.739 376 E HN 0.615 nan 8.360 nan 0.000 0.458 377 A N 0.925 123.698 122.820 -0.078 0.000 1.865 377 A HA -0.257 4.063 4.320 -0.000 0.000 0.217 377 A C 2.046 179.517 177.584 -0.188 0.000 1.191 377 A CA 1.875 53.845 52.037 -0.111 0.000 0.623 377 A CB -0.563 18.384 19.000 -0.089 0.000 0.826 377 A HN 0.146 nan 8.150 nan 0.000 0.444 378 E N 0.073 120.112 120.200 -0.268 0.000 2.110 378 E HA -0.018 4.332 4.350 -0.000 0.000 0.193 378 E C 2.166 178.587 176.600 -0.298 0.000 0.988 378 E CA 1.329 57.444 56.400 -0.476 0.000 0.804 378 E CB -0.485 28.604 29.700 -1.019 0.000 0.745 378 E HN 0.586 nan 8.360 nan 0.000 0.458 379 A N 0.942 123.704 122.820 -0.097 0.000 1.930 379 A HA -0.192 4.128 4.320 -0.000 0.000 0.217 379 A C 1.894 179.440 177.584 -0.064 0.000 1.175 379 A CA 1.451 53.498 52.037 0.017 0.000 0.627 379 A CB -0.250 18.788 19.000 0.063 0.000 0.815 379 A HN 0.083 nan 8.150 nan 0.000 0.443 380 K N -0.614 119.719 120.400 -0.111 0.000 2.057 380 K HA -0.154 4.165 4.320 -0.000 0.000 0.206 380 K C 2.102 178.561 176.600 -0.236 0.000 1.050 380 K CA 1.478 57.691 56.287 -0.124 0.000 0.935 380 K CB -0.111 32.325 32.500 -0.107 0.000 0.715 380 K HN 0.675 nan 8.250 nan 0.000 0.439 381 E N 0.955 120.939 120.200 -0.359 0.000 2.077 381 E HA -0.202 4.148 4.350 -0.000 0.000 0.193 381 E C 1.989 177.940 176.600 -1.082 0.000 0.989 381 E CA 0.731 56.743 56.400 -0.646 0.000 0.800 381 E CB 0.046 29.356 29.700 -0.649 0.000 0.746 381 E HN 0.093 nan 8.360 nan 0.000 0.452 382 L N 0.802 121.555 121.223 -0.784 0.000 2.017 382 L HA -0.059 4.281 4.340 -0.000 0.000 0.208 382 L C 2.244 179.001 176.870 -0.189 0.000 1.073 382 L CA 2.251 56.787 54.840 -0.507 0.000 0.745 382 L CB -0.931 41.093 42.059 -0.058 0.000 0.894 382 L HN 0.162 nan 8.230 nan 0.000 0.432 383 A N -0.341 122.421 122.820 -0.096 0.000 1.917 383 A HA -0.133 4.187 4.320 -0.000 0.000 0.219 383 A C 2.351 179.803 177.584 -0.220 0.000 1.182 383 A CA 1.788 53.838 52.037 0.021 0.000 0.633 383 A CB -1.676 17.399 19.000 0.125 0.000 0.819 383 A HN 0.564 nan 8.150 nan 0.000 0.448 384 G N -1.246 107.404 108.800 -0.251 0.000 2.459 384 G HA2 -0.241 3.719 3.960 -0.000 0.000 0.217 384 G HA3 -0.241 3.719 3.960 -0.000 0.000 0.217 384 G C 1.342 176.222 174.900 -0.034 0.000 1.183 384 G CA 1.007 45.988 45.100 -0.198 0.000 0.776 384 G HN 0.591 nan 8.290 nan 0.000 0.552 385 W N 0.790 122.053 121.300 -0.061 0.000 2.342 385 W HA 0.016 4.676 4.660 -0.000 0.000 0.297 385 W C 2.759 179.236 176.519 -0.069 0.000 1.213 385 W CA 0.730 58.048 57.345 -0.044 0.000 1.251 385 W CB -1.114 28.342 29.460 -0.007 0.000 1.136 385 W HN 0.225 nan 8.180 nan 0.000 0.526 386 M N -0.535 119.146 119.600 0.135 0.000 2.080 386 M HA -0.236 4.244 4.480 -0.000 0.000 0.260 386 M C 2.131 178.354 176.300 -0.129 0.000 1.068 386 M CA 1.875 57.193 55.300 0.030 0.000 1.109 386 M CB -1.060 31.589 32.600 0.082 0.000 1.342 386 M HN -0.136 nan 8.290 nan 0.000 0.405 387 C N 0.514 119.622 119.300 -0.320 0.000 2.419 387 C HA -0.126 4.334 4.460 -0.000 0.000 0.281 387 C C 2.185 177.133 174.990 -0.071 0.000 1.336 387 C CA 0.582 59.385 59.018 -0.359 0.000 1.770 387 C CB -1.165 26.329 27.740 -0.409 0.000 1.929 387 C HN 0.535 nan 8.230 nan 0.000 0.509 388 D N 0.760 121.155 120.400 -0.009 0.000 2.117 388 D HA -0.099 4.541 4.640 -0.000 0.000 0.197 388 D C 2.207 178.529 176.300 0.037 0.000 0.987 388 D CA 1.125 55.151 54.000 0.042 0.000 0.829 388 D CB -0.420 40.429 40.800 0.082 0.000 0.961 388 D HN 0.287 nan 8.370 nan 0.000 0.460 389 V N 1.254 121.186 119.914 0.030 0.000 2.261 389 V HA -0.211 3.909 4.120 -0.000 0.000 0.246 389 V C 2.711 178.826 176.094 0.035 0.000 1.047 389 V CA 1.138 63.454 62.300 0.026 0.000 1.015 389 V CB -0.541 31.297 31.823 0.025 0.000 0.642 389 V HN 0.185 nan 8.190 nan 0.000 0.446 390 L N -0.198 121.042 121.223 0.028 0.000 2.042 390 L HA -0.225 4.115 4.340 -0.000 0.000 0.210 390 L C 2.436 179.392 176.870 0.144 0.000 1.076 390 L CA 1.703 56.592 54.840 0.081 0.000 0.749 390 L CB -0.886 41.196 42.059 0.037 0.000 0.893 390 L HN 0.353 nan 8.230 nan 0.000 0.432 391 D N -0.012 120.478 120.400 0.151 0.000 2.104 391 D HA -0.116 4.524 4.640 -0.000 0.000 0.194 391 D C 1.127 177.471 176.300 0.073 0.000 0.994 391 D CA 1.397 55.474 54.000 0.129 0.000 0.830 391 D CB 0.006 40.868 40.800 0.103 0.000 0.959 391 D HN 0.227 nan 8.370 nan 0.000 0.452 392 S N 0.179 115.912 115.700 0.055 0.000 2.312 392 S HA 0.262 4.732 4.470 -0.000 0.000 0.211 392 S C 1.236 175.855 174.600 0.032 0.000 1.315 392 S CA -0.362 57.860 58.200 0.036 0.000 1.267 392 S CB 0.471 63.686 63.200 0.025 0.000 1.072 392 S HN 0.169 nan 8.310 nan 0.000 0.490 393 I N 1.673 122.268 120.570 0.041 0.000 2.657 393 I HA -0.199 3.971 4.170 -0.000 0.000 0.261 393 I C 1.310 177.441 176.117 0.024 0.000 1.212 393 I CA 1.294 62.614 61.300 0.035 0.000 1.453 393 I CB 0.024 38.050 38.000 0.044 0.000 1.092 393 I HN 0.484 nan 8.210 nan 0.000 0.452 394 N N -0.443 118.269 118.700 0.021 0.000 2.236 394 N HA -0.028 4.712 4.740 -0.000 0.000 0.196 394 N C -0.035 175.482 175.510 0.011 0.000 1.114 394 N CA -0.161 52.898 53.050 0.015 0.000 0.859 394 N CB 0.367 38.863 38.487 0.015 0.000 0.982 394 N HN 0.177 nan 8.380 nan 0.000 0.493 395 D N 1.641 122.047 120.400 0.010 0.000 2.422 395 D HA 0.011 4.651 4.640 -0.000 0.000 0.227 395 D C 0.684 176.984 176.300 -0.000 0.000 1.190 395 D CA 0.067 54.070 54.000 0.005 0.000 0.905 395 D CB 0.768 41.571 40.800 0.006 0.000 1.034 395 D HN 0.057 nan 8.370 nan 0.000 0.507 396 E N 2.356 122.555 120.200 -0.002 0.000 2.265 396 E HA -0.145 4.205 4.350 -0.000 0.000 0.196 396 E C 1.617 178.210 176.600 -0.013 0.000 0.996 396 E CA 0.447 56.843 56.400 -0.006 0.000 0.832 396 E CB 0.080 29.777 29.700 -0.004 0.000 0.756 396 E HN 0.605 nan 8.360 nan 0.000 0.491 397 A N 0.590 123.403 122.820 -0.012 0.000 1.968 397 A HA -0.076 4.244 4.320 -0.000 0.000 0.217 397 A C 2.539 180.108 177.584 -0.025 0.000 1.169 397 A CA 0.907 52.933 52.037 -0.017 0.000 0.638 397 A CB -0.305 18.688 19.000 -0.013 0.000 0.812 397 A HN 0.129 nan 8.150 nan 0.000 0.446 398 V N 0.255 120.157 119.914 -0.019 0.000 2.323 398 V HA -0.224 3.896 4.120 -0.000 0.000 0.244 398 V C 2.402 178.474 176.094 -0.037 0.000 1.041 398 V CA 1.870 64.156 62.300 -0.023 0.000 1.025 398 V CB -0.628 31.191 31.823 -0.006 0.000 0.656 398 V HN 0.565 nan 8.190 nan 0.000 0.451 399 I N -0.381 120.172 120.570 -0.028 0.000 2.226 399 I HA -0.199 3.971 4.170 -0.000 0.000 0.245 399 I C 2.710 178.794 176.117 -0.055 0.000 1.100 399 I CA 1.309 62.588 61.300 -0.036 0.000 1.374 399 I CB -0.431 37.556 38.000 -0.022 0.000 1.057 399 I HN 0.317 nan 8.210 nan 0.000 0.413 400 E N 0.733 120.905 120.200 -0.047 0.000 2.058 400 E HA -0.251 4.099 4.350 -0.000 0.000 0.194 400 E C 2.216 178.769 176.600 -0.079 0.000 0.997 400 E CA 1.173 57.542 56.400 -0.052 0.000 0.801 400 E CB -0.345 29.332 29.700 -0.038 0.000 0.746 400 E HN 0.384 nan 8.360 nan 0.000 0.450 401 R N 0.309 120.758 120.500 -0.085 0.000 2.083 401 R HA -0.149 4.191 4.340 -0.000 0.000 0.237 401 R C 2.340 178.520 176.300 -0.201 0.000 1.137 401 R CA 1.278 57.307 56.100 -0.118 0.000 0.951 401 R CB -0.179 30.063 30.300 -0.098 0.000 0.851 401 R HN 0.125 nan 8.270 nan 0.000 0.434 402 I N 1.479 121.921 120.570 -0.214 0.000 2.226 402 I HA -0.265 3.905 4.170 -0.000 0.000 0.245 402 I C 2.481 178.416 176.117 -0.302 0.000 1.100 402 I CA 1.236 62.334 61.300 -0.335 0.000 1.374 402 I CB -1.133 36.750 38.000 -0.194 0.000 1.057 402 I HN 0.257 nan 8.210 nan 0.000 0.413 403 K N 1.194 121.490 120.400 -0.173 0.000 2.044 403 K HA -0.203 4.117 4.320 -0.000 0.000 0.210 403 K C 2.059 178.578 176.600 -0.135 0.000 1.049 403 K CA 1.950 58.161 56.287 -0.126 0.000 0.927 403 K CB -0.524 31.928 32.500 -0.080 0.000 0.713 403 K HN 0.398 nan 8.250 nan 0.000 0.443 404 G N 1.384 110.099 108.800 -0.142 0.000 2.432 404 G HA2 -0.224 3.736 3.960 -0.000 0.000 0.219 404 G HA3 -0.224 3.736 3.960 -0.000 0.000 0.219 404 G C 1.436 176.232 174.900 -0.173 0.000 1.135 404 G CA 0.627 45.653 45.100 -0.122 0.000 0.767 404 G HN 0.356 nan 8.290 nan 0.000 0.550 405 K N 0.273 120.475 120.400 -0.331 0.000 2.057 405 K HA -0.007 4.313 4.320 -0.000 0.000 0.206 405 K C 2.700 179.059 176.600 -0.400 0.000 1.050 405 K CA 1.309 57.286 56.287 -0.516 0.000 0.935 405 K CB -0.474 31.340 32.500 -1.142 0.000 0.715 405 K HN 0.337 nan 8.250 nan 0.000 0.439 406 V N 0.687 120.417 119.914 -0.306 0.000 2.379 406 V HA -0.154 3.966 4.120 -0.000 0.000 0.245 406 V C 1.990 178.135 176.094 0.085 0.000 1.044 406 V CA 1.243 63.553 62.300 0.016 0.000 1.036 406 V CB -0.563 31.304 31.823 0.074 0.000 0.664 406 V HN 0.212 nan 8.190 nan 0.000 0.453 407 L N 0.562 121.798 121.223 0.023 0.000 2.129 407 L HA -0.181 4.159 4.340 -0.000 0.000 0.212 407 L C 2.634 179.549 176.870 0.074 0.000 1.087 407 L CA 2.244 57.117 54.840 0.056 0.000 0.757 407 L CB -0.803 41.270 42.059 0.024 0.000 0.896 407 L HN 0.474 nan 8.230 nan 0.000 0.434 408 D N 0.335 120.766 120.400 0.051 0.000 2.123 408 D HA -0.178 4.462 4.640 -0.000 0.000 0.200 408 D C 2.148 178.538 176.300 0.150 0.000 0.976 408 D CA 1.090 55.132 54.000 0.070 0.000 0.831 408 D CB 0.107 40.926 40.800 0.031 0.000 0.974 408 D HN 0.303 nan 8.370 nan 0.000 0.469 409 I N -0.246 120.465 120.570 0.234 0.000 2.500 409 I HA -0.208 3.962 4.170 -0.000 0.000 0.252 409 I C 1.978 178.367 176.117 0.454 0.000 1.142 409 I CA 0.408 61.931 61.300 0.372 0.000 1.451 409 I CB 0.108 38.380 38.000 0.454 0.000 1.093 409 I HN 0.092 nan 8.210 nan 0.000 0.430 410 C N 0.857 120.366 119.300 0.348 0.000 2.422 410 C HA -0.107 4.353 4.460 -0.000 0.000 0.279 410 C C 2.979 178.103 174.990 0.224 0.000 1.305 410 C CA 1.048 60.246 59.018 0.300 0.000 1.757 410 C CB -1.308 26.555 27.740 0.205 0.000 1.962 410 C HN 0.654 nan 8.230 nan 0.000 0.499 411 A N 0.018 122.937 122.820 0.165 0.000 2.016 411 A HA -0.068 4.252 4.320 -0.000 0.000 0.217 411 A C 2.136 179.754 177.584 0.056 0.000 1.162 411 A CA 0.959 53.052 52.037 0.093 0.000 0.662 411 A CB -0.342 18.696 19.000 0.064 0.000 0.812 411 A HN 0.647 nan 8.150 nan 0.000 0.450 412 R N -2.175 118.363 120.500 0.064 0.000 2.246 412 R HA 0.082 4.422 4.340 -0.000 0.000 0.199 412 R C -0.558 175.528 176.300 -0.356 0.000 0.984 412 R CA 0.527 56.538 56.100 -0.149 0.000 1.015 412 R CB 0.044 30.224 30.300 -0.201 0.000 0.930 412 R HN 0.571 nan 8.270 nan 0.000 0.475 413 Y N 1.091 121.465 120.300 0.124 0.000 2.562 413 Y HA 0.290 4.840 4.550 -0.000 0.000 0.363 413 Y C -2.203 173.739 175.900 0.070 0.000 0.991 413 Y CA -3.225 54.961 58.100 0.143 0.000 1.121 413 Y CB 0.582 39.236 38.460 0.324 0.000 1.159 413 Y HN -0.083 nan 8.280 nan 0.000 0.651 414 P HA -0.016 nan 4.420 nan 0.000 0.266 414 P C 0.879 178.138 177.300 -0.069 0.000 1.195 414 P CA 0.296 63.405 63.100 0.016 0.000 0.768 414 P CB 2.374 34.077 31.700 0.005 0.000 0.838 415 V N 2.726 122.509 119.914 -0.218 0.000 2.239 415 V HA -0.140 3.980 4.120 -0.000 0.000 0.242 415 V C 0.600 176.383 176.094 -0.518 0.000 1.038 415 V CA 1.674 63.643 62.300 -0.552 0.000 1.002 415 V CB -1.113 30.123 31.823 -0.979 0.000 0.641 415 V HN 0.430 nan 8.190 nan 0.000 0.449 416 Y N 0.324 120.532 120.300 -0.152 0.000 2.491 416 Y HA 0.706 5.256 4.550 -0.000 0.000 0.334 416 Y C 0.405 176.275 175.900 -0.050 0.000 0.969 416 Y CA -0.675 57.373 58.100 -0.087 0.000 1.241 416 Y CB 0.392 38.805 38.460 -0.078 0.000 1.105 416 Y HN 0.197 nan 8.280 nan 0.000 0.503 417 A N 0.000 122.876 122.820 0.093 0.000 2.254 417 A HA 0.000 4.320 4.320 -0.000 0.000 0.244 417 A CA 0.000 52.071 52.037 0.056 0.000 0.836 417 A CB 0.000 19.018 19.000 0.030 0.000 0.831 417 A HN 0.000 nan 8.150 nan 0.000 0.486