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 1v2f_1_A DATA FIRST_RESID 1 DATA SEQUENCE MRLHPRTEAA KESIFPRMSG LAQRLGAVNL GQGFPSNPPP PFLLEAVRRA DATA SEQUENCE LGRQDQYAPP AGLPALREAL AEEFAVEPES VVVTSGATEA LYVLLQSLVG DATA SEQUENCE PGDEVVVLEP FFDVYLPDAF LAGAKARLVR LDLTPEGFRL DLSALEKALT DATA SEQUENCE PRTRALLLNT PMNPTGLVFG ERELEAIARL ARAHDLFLIS DEVYDELYYG DATA SEQUENCE ERPRRLREFA PERTFTVGSA GKRLEATGYR VGWIVGPKEF MPRLAGMRQW DATA SEQUENCE TSFSAPTPLQ AGVAEALKLA RREGFYEALR EGYRRRRDLL AGGLRAMGLR DATA SEQUENCE VYVPEGTYFL MAELPGWDAF RLVEEARVAL IPASAFYLED PPKDLFRFAF DATA SEQUENCE CKTEEELHLA LERLGRVV 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 0.000 176.302 176.300 0.003 0.000 1.140 1 M CA 0.000 55.302 55.300 0.003 0.000 0.988 1 M CB 0.000 32.603 32.600 0.005 0.000 1.302 2 R N 2.673 123.176 120.500 0.006 0.000 2.692 2 R HA 0.748 5.088 4.340 -0.000 0.000 0.269 2 R C -2.094 174.217 176.300 0.018 0.000 1.030 2 R CA -0.944 55.160 56.100 0.006 0.000 0.882 2 R CB 1.618 31.916 30.300 -0.004 0.000 1.250 2 R HN 0.938 nan 8.270 nan 0.000 0.465 3 L N 2.006 123.246 121.223 0.027 0.000 2.453 3 L HA 0.264 4.604 4.340 -0.000 0.000 0.261 3 L C 0.962 177.874 176.870 0.071 0.000 1.179 3 L CA -0.717 54.157 54.840 0.056 0.000 0.813 3 L CB 0.374 42.467 42.059 0.057 0.000 1.110 3 L HN 0.564 nan 8.230 nan 0.000 0.466 4 H N 3.024 122.109 119.070 0.026 0.000 2.897 4 H HA 0.021 4.577 4.556 -0.000 0.000 0.347 4 H C -1.837 173.519 175.328 0.048 0.000 1.068 4 H CA -1.205 54.863 56.048 0.032 0.000 1.426 4 H CB 1.531 31.312 29.762 0.032 0.000 1.410 4 H HN 0.308 nan 8.280 nan 0.000 0.597 5 P HA -0.148 nan 4.420 nan 0.000 0.220 5 P C 1.498 178.963 177.300 0.274 0.000 1.144 5 P CA 1.391 64.509 63.100 0.031 0.000 0.800 5 P CB -0.018 31.628 31.700 -0.089 0.000 0.772 6 R N 0.172 121.020 120.500 0.580 0.000 2.127 6 R HA -0.114 4.226 4.340 -0.000 0.000 0.238 6 R C 1.552 178.051 176.300 0.332 0.000 1.134 6 R CA 1.906 58.281 56.100 0.460 0.000 0.975 6 R CB -0.881 29.564 30.300 0.241 0.000 0.865 6 R HN 0.229 nan 8.270 nan 0.000 0.447 7 T N -2.225 112.466 114.554 0.229 0.000 3.227 7 T HA 0.016 4.366 4.350 -0.000 0.000 0.257 7 T C 0.944 175.688 174.700 0.073 0.000 1.162 7 T CA 0.604 62.782 62.100 0.130 0.000 1.051 7 T CB -0.030 68.897 68.868 0.098 0.000 0.953 7 T HN 0.398 nan 8.240 nan 0.000 0.535 8 E N 0.802 121.046 120.200 0.074 0.000 2.347 8 E HA 0.127 4.477 4.350 -0.000 0.000 0.196 8 E C 2.146 178.674 176.600 -0.119 0.000 1.008 8 E CA 0.635 57.024 56.400 -0.018 0.000 0.852 8 E CB -0.089 29.602 29.700 -0.015 0.000 0.783 8 E HN 0.740 nan 8.360 nan 0.000 0.505 9 A N 1.047 123.785 122.820 -0.136 0.000 2.218 9 A HA 0.256 4.576 4.320 -0.000 0.000 0.209 9 A C 1.696 179.234 177.584 -0.076 0.000 1.168 9 A CA 0.323 52.231 52.037 -0.214 0.000 0.804 9 A CB 0.169 19.022 19.000 -0.245 0.000 0.834 9 A HN 0.148 nan 8.150 nan 0.000 0.482 10 A N 0.888 123.694 122.820 -0.024 0.000 3.074 10 A HA 0.360 4.680 4.320 -0.000 0.000 0.251 10 A C 0.217 177.790 177.584 -0.019 0.000 1.695 10 A CA -0.209 51.823 52.037 -0.007 0.000 1.343 10 A CB -0.731 18.278 19.000 0.014 0.000 1.078 10 A HN 0.420 nan 8.150 nan 0.000 0.644 11 K N 0.940 121.319 120.400 -0.035 0.000 2.156 11 K HA 0.245 4.565 4.320 -0.000 0.000 0.271 11 K C 0.073 176.660 176.600 -0.021 0.000 0.995 11 K CA -0.504 55.763 56.287 -0.032 0.000 0.890 11 K CB 1.676 34.148 32.500 -0.048 0.000 1.073 11 K HN 0.613 nan 8.250 nan 0.000 0.454 12 E N 2.195 122.388 120.200 -0.012 0.000 2.558 12 E HA -0.089 4.261 4.350 -0.000 0.000 0.255 12 E C -0.443 176.156 176.600 -0.001 0.000 0.968 12 E CA 0.053 56.453 56.400 -0.001 0.000 0.939 12 E CB 0.575 30.278 29.700 0.005 0.000 0.921 12 E HN 0.450 nan 8.360 nan 0.000 0.477 13 S N 3.974 119.684 115.700 0.016 0.000 2.560 13 S HA -0.060 4.410 4.470 -0.000 0.000 0.284 13 S C 1.151 175.752 174.600 0.001 0.000 1.327 13 S CA -0.503 57.717 58.200 0.033 0.000 1.055 13 S CB 0.553 63.815 63.200 0.104 0.000 0.868 13 S HN 0.637 nan 8.310 nan 0.000 0.506 14 I N 5.198 125.699 120.570 -0.116 0.000 2.567 14 I HA 0.008 4.178 4.170 -0.000 0.000 0.257 14 I C 1.187 177.122 176.117 -0.303 0.000 1.184 14 I CA 1.393 62.547 61.300 -0.243 0.000 1.451 14 I CB -0.504 37.239 38.000 -0.428 0.000 1.089 14 I HN 0.768 nan 8.210 nan 0.000 0.441 15 F N 1.870 121.791 119.950 -0.048 0.000 2.060 15 F HA -0.037 4.490 4.527 -0.000 0.000 0.295 15 F C -0.147 175.684 175.800 0.051 0.000 1.120 15 F CA 1.729 59.730 58.000 0.002 0.000 1.205 15 F CB -2.436 36.569 39.000 0.009 0.000 0.986 15 F HN 0.141 nan 8.300 nan 0.000 0.470 16 P HA -0.132 nan 4.420 nan 0.000 0.222 16 P C 1.466 178.823 177.300 0.096 0.000 1.153 16 P CA 1.333 64.522 63.100 0.148 0.000 0.798 16 P CB -0.162 31.604 31.700 0.109 0.000 0.796 17 R N -0.579 119.961 120.500 0.066 0.000 2.075 17 R HA -0.046 4.294 4.340 -0.000 0.000 0.232 17 R C 2.302 178.636 176.300 0.056 0.000 1.126 17 R CA 1.277 57.410 56.100 0.055 0.000 0.963 17 R CB -0.514 29.815 30.300 0.047 0.000 0.858 17 R HN -0.010 nan 8.270 nan 0.000 0.435 18 M N 0.472 120.083 119.600 0.019 0.000 2.159 18 M HA -0.095 4.384 4.480 -0.000 0.000 0.263 18 M C 2.128 178.451 176.300 0.038 0.000 1.063 18 M CA 1.501 56.792 55.300 -0.015 0.000 1.110 18 M CB -0.533 32.011 32.600 -0.095 0.000 1.374 18 M HN 0.118 nan 8.290 nan 0.000 0.411 19 S N 0.114 115.871 115.700 0.094 0.000 2.382 19 S HA -0.080 4.390 4.470 -0.000 0.000 0.228 19 S C 1.915 176.576 174.600 0.101 0.000 1.027 19 S CA 1.352 59.636 58.200 0.139 0.000 0.991 19 S CB -0.628 62.704 63.200 0.220 0.000 0.823 19 S HN 0.676 nan 8.310 nan 0.000 0.469 20 G N 1.283 110.131 108.800 0.080 0.000 2.408 20 G HA2 -0.114 3.846 3.960 -0.000 0.000 0.217 20 G HA3 -0.114 3.846 3.960 -0.000 0.000 0.217 20 G C 1.362 176.297 174.900 0.058 0.000 1.150 20 G CA 0.542 45.680 45.100 0.063 0.000 0.776 20 G HN 0.400 nan 8.290 nan 0.000 0.542 21 L N 1.373 122.632 121.223 0.061 0.000 2.046 21 L HA 0.158 4.498 4.340 -0.000 0.000 0.208 21 L C 3.054 179.950 176.870 0.043 0.000 1.077 21 L CA 2.009 56.885 54.840 0.061 0.000 0.747 21 L CB -0.643 41.462 42.059 0.078 0.000 0.896 21 L HN 0.231 nan 8.230 nan 0.000 0.432 22 A N -1.142 121.699 122.820 0.035 0.000 1.902 22 A HA -0.248 4.072 4.320 -0.000 0.000 0.217 22 A C 2.134 179.739 177.584 0.036 0.000 1.181 22 A CA 1.759 53.812 52.037 0.025 0.000 0.623 22 A CB -0.517 18.498 19.000 0.025 0.000 0.818 22 A HN 0.658 nan 8.150 nan 0.000 0.443 23 Q N -0.934 118.897 119.800 0.051 0.000 2.079 23 Q HA -0.168 4.172 4.340 -0.000 0.000 0.200 23 Q C 2.327 178.349 176.000 0.038 0.000 0.974 23 Q CA 1.509 57.342 55.803 0.049 0.000 0.840 23 Q CB -0.253 28.518 28.738 0.056 0.000 0.898 23 Q HN 0.723 nan 8.270 nan 0.000 0.430 24 R N 0.998 121.521 120.500 0.038 0.000 2.096 24 R HA -0.089 4.251 4.340 -0.000 0.000 0.235 24 R C 1.729 178.047 176.300 0.030 0.000 1.127 24 R CA 1.029 57.149 56.100 0.034 0.000 0.968 24 R CB -0.009 30.313 30.300 0.037 0.000 0.861 24 R HN 0.235 nan 8.270 nan 0.000 0.440 25 L N -0.163 121.078 121.223 0.030 0.000 2.592 25 L HA 0.253 4.593 4.340 -0.000 0.000 0.227 25 L C 0.930 177.810 176.870 0.017 0.000 1.127 25 L CA 0.384 55.239 54.840 0.025 0.000 0.884 25 L CB 0.349 42.424 42.059 0.026 0.000 1.065 25 L HN 0.568 nan 8.230 nan 0.000 0.457 26 G N 0.975 109.786 108.800 0.018 0.000 2.221 26 G HA2 -0.247 3.713 3.960 -0.000 0.000 0.265 26 G HA3 -0.247 3.713 3.960 -0.000 0.000 0.265 26 G C 0.238 175.141 174.900 0.005 0.000 1.041 26 G CA 0.252 45.360 45.100 0.014 0.000 0.807 26 G HN 0.498 nan 8.290 nan 0.000 0.502 27 A N -0.802 122.018 122.820 0.000 0.000 2.295 27 A HA 0.820 5.140 4.320 -0.000 0.000 0.318 27 A C 0.565 178.138 177.584 -0.018 0.000 1.134 27 A CA -0.203 51.823 52.037 -0.017 0.000 0.827 27 A CB 1.447 20.428 19.000 -0.032 0.000 1.136 27 A HN 1.179 nan 8.150 nan 0.000 0.493 28 V N 2.591 122.486 119.914 -0.031 0.000 2.521 28 V HA 0.033 4.153 4.120 -0.000 0.000 0.286 28 V C 0.517 176.584 176.094 -0.045 0.000 1.034 28 V CA -0.241 62.041 62.300 -0.031 0.000 1.045 28 V CB 0.427 32.232 31.823 -0.031 0.000 0.974 28 V HN 0.823 nan 8.190 nan 0.000 0.480 29 N N 5.420 124.096 118.700 -0.040 0.000 2.521 29 N HA 0.261 5.001 4.740 -0.000 0.000 0.236 29 N C -0.089 175.372 175.510 -0.081 0.000 1.067 29 N CA -0.105 52.916 53.050 -0.050 0.000 0.939 29 N CB 0.473 38.949 38.487 -0.018 0.000 1.201 29 N HN 0.670 nan 8.380 nan 0.000 0.511 30 L N 2.074 123.258 121.223 -0.066 0.000 3.017 30 L HA 0.385 4.725 4.340 -0.000 0.000 0.255 30 L C 1.427 178.311 176.870 0.025 0.000 1.247 30 L CA -0.405 54.419 54.840 -0.027 0.000 1.038 30 L CB 0.433 42.482 42.059 -0.017 0.000 1.380 30 L HN 0.487 nan 8.230 nan 0.000 0.548 31 G N -0.551 108.272 108.800 0.038 0.000 2.756 31 G HA2 -0.019 3.941 3.960 -0.000 0.000 0.203 31 G HA3 -0.019 3.941 3.960 -0.000 0.000 0.203 31 G C 0.184 175.264 174.900 0.300 0.000 2.015 31 G CA -0.142 45.036 45.100 0.129 0.000 0.835 31 G HN 0.273 nan 8.290 nan 0.000 0.648 32 Q N 0.848 120.853 119.800 0.342 0.000 2.310 32 Q HA 0.290 4.630 4.340 -0.000 0.000 0.315 32 Q C 0.267 176.513 176.000 0.410 0.000 1.081 32 Q CA 0.121 56.220 55.803 0.493 0.000 0.981 32 Q CB 0.330 29.372 28.738 0.507 0.000 1.184 32 Q HN 0.320 nan 8.270 nan 0.000 0.389 33 G N 4.763 113.899 108.800 0.560 0.000 2.448 33 G HA2 0.447 4.407 3.960 -0.000 0.000 0.309 33 G HA3 0.447 4.407 3.960 -0.000 0.000 0.309 33 G C -1.083 174.076 174.900 0.432 0.000 1.027 33 G CA -0.425 44.998 45.100 0.540 0.000 1.104 33 G HN 0.558 nan 8.290 nan 0.000 0.428 34 F N 1.085 121.085 119.950 0.082 0.000 2.622 34 F HA 0.627 5.154 4.527 -0.000 0.000 0.318 34 F C -3.114 172.630 175.800 -0.093 0.000 1.135 34 F CA -3.263 54.750 58.000 0.022 0.000 1.015 34 F CB 0.932 39.970 39.000 0.063 0.000 1.275 34 F HN 0.143 nan 8.300 nan 0.000 0.457 35 P HA 0.180 nan 4.420 nan 0.000 0.266 35 P C 0.259 177.585 177.300 0.044 0.000 1.195 35 P CA 0.103 63.166 63.100 -0.061 0.000 0.768 35 P CB 1.232 32.945 31.700 0.022 0.000 0.838 36 S N 0.652 116.325 115.700 -0.045 0.000 2.470 36 S HA -0.033 4.437 4.470 -0.000 0.000 0.225 36 S C 0.813 175.436 174.600 0.038 0.000 1.006 36 S CA 0.537 58.744 58.200 0.011 0.000 0.934 36 S CB -0.784 62.392 63.200 -0.040 0.000 0.778 36 S HN 0.694 nan 8.310 nan 0.000 0.517 37 N N 1.785 120.494 118.700 0.014 0.000 2.476 37 N HA 0.423 5.163 4.740 -0.000 0.000 0.275 37 N C -2.670 172.857 175.510 0.028 0.000 1.190 37 N CA -1.527 51.532 53.050 0.015 0.000 0.977 37 N CB 0.023 38.507 38.487 -0.005 0.000 1.200 37 N HN -0.038 nan 8.380 nan 0.000 0.515 38 P HA 0.361 nan 4.420 nan 0.000 0.280 38 P C -2.634 174.651 177.300 -0.024 0.000 1.272 38 P CA -1.265 61.836 63.100 0.002 0.000 0.819 38 P CB 0.257 31.959 31.700 0.004 0.000 1.122 39 P HA 0.197 nan 4.420 nan 0.000 0.273 39 P C -2.296 174.896 177.300 -0.181 0.000 1.250 39 P CA -1.419 61.600 63.100 -0.134 0.000 0.793 39 P CB -1.242 30.322 31.700 -0.226 0.000 1.011 40 P HA 0.126 nan 4.420 nan 0.000 0.269 40 P C -2.091 174.918 177.300 -0.486 0.000 1.209 40 P CA -1.273 61.544 63.100 -0.472 0.000 0.776 40 P CB -0.494 30.601 31.700 -1.008 0.000 0.876 41 P HA -0.177 nan 4.420 nan 0.000 0.216 41 P C 1.424 178.658 177.300 -0.111 0.000 1.150 41 P CA 1.482 64.508 63.100 -0.123 0.000 0.843 41 P CB -0.579 31.114 31.700 -0.012 0.000 0.787 42 F N -1.102 118.802 119.950 -0.077 0.000 2.269 42 F HA -0.061 4.466 4.527 -0.000 0.000 0.301 42 F C 1.797 177.555 175.800 -0.069 0.000 1.082 42 F CA 0.652 58.604 58.000 -0.080 0.000 1.360 42 F CB -1.581 37.352 39.000 -0.112 0.000 1.041 42 F HN -0.161 nan 8.300 nan 0.000 0.512 43 L N 0.791 121.764 121.223 -0.417 0.000 2.102 43 L HA 0.080 4.420 4.340 -0.000 0.000 0.202 43 L C 2.047 178.896 176.870 -0.034 0.000 1.076 43 L CA 1.394 56.125 54.840 -0.181 0.000 0.761 43 L CB -0.818 41.049 42.059 -0.320 0.000 0.921 43 L HN 0.233 nan 8.230 nan 0.000 0.444 44 L N -0.399 120.784 121.223 -0.066 0.000 2.012 44 L HA -0.176 4.164 4.340 -0.000 0.000 0.210 44 L C 2.660 179.537 176.870 0.013 0.000 1.073 44 L CA 1.217 56.061 54.840 0.007 0.000 0.748 44 L CB -0.885 41.169 42.059 -0.008 0.000 0.891 44 L HN 0.285 nan 8.230 nan 0.000 0.431 45 E N 0.386 120.593 120.200 0.012 0.000 2.110 45 E HA -0.188 4.162 4.350 -0.000 0.000 0.193 45 E C 2.307 178.926 176.600 0.033 0.000 0.988 45 E CA 1.396 57.812 56.400 0.026 0.000 0.804 45 E CB -0.308 29.416 29.700 0.040 0.000 0.745 45 E HN 0.474 nan 8.360 nan 0.000 0.458 46 A N 0.975 123.825 122.820 0.049 0.000 1.933 46 A HA -0.132 4.188 4.320 -0.000 0.000 0.218 46 A C 2.607 180.209 177.584 0.031 0.000 1.175 46 A CA 1.455 53.523 52.037 0.051 0.000 0.628 46 A CB -0.575 18.474 19.000 0.081 0.000 0.814 46 A HN 0.145 nan 8.150 nan 0.000 0.444 47 V N -0.240 119.688 119.914 0.024 0.000 2.358 47 V HA -0.229 3.891 4.120 -0.000 0.000 0.246 47 V C 2.576 178.659 176.094 -0.018 0.000 1.047 47 V CA 2.073 64.367 62.300 -0.010 0.000 1.035 47 V CB -0.811 30.987 31.823 -0.041 0.000 0.658 47 V HN 0.512 nan 8.190 nan 0.000 0.452 48 R N -0.207 120.288 120.500 -0.007 0.000 2.091 48 R HA -0.191 4.149 4.340 -0.000 0.000 0.238 48 R C 2.544 178.840 176.300 -0.006 0.000 1.136 48 R CA 1.813 57.908 56.100 -0.008 0.000 0.959 48 R CB -0.387 29.913 30.300 -0.000 0.000 0.856 48 R HN 0.391 nan 8.270 nan 0.000 0.437 49 R N 0.214 120.715 120.500 0.002 0.000 2.120 49 R HA -0.101 4.239 4.340 -0.000 0.000 0.234 49 R C 1.939 178.238 176.300 -0.000 0.000 1.123 49 R CA 1.430 57.532 56.100 0.004 0.000 0.975 49 R CB -0.069 30.238 30.300 0.012 0.000 0.866 49 R HN 0.230 nan 8.270 nan 0.000 0.446 50 A N 0.639 123.456 122.820 -0.004 0.000 2.021 50 A HA 0.120 4.440 4.320 -0.000 0.000 0.216 50 A C 0.891 178.465 177.584 -0.016 0.000 1.163 50 A CA 0.090 52.122 52.037 -0.008 0.000 0.676 50 A CB -0.064 18.931 19.000 -0.009 0.000 0.818 50 A HN 0.203 nan 8.150 nan 0.000 0.453 51 L N -0.267 120.942 121.223 -0.023 0.000 2.499 51 L HA 0.356 4.696 4.340 -0.000 0.000 0.273 51 L C 1.554 178.412 176.870 -0.020 0.000 1.195 51 L CA 0.824 55.648 54.840 -0.028 0.000 0.882 51 L CB 0.323 42.363 42.059 -0.032 0.000 1.133 51 L HN 0.578 nan 8.230 nan 0.000 0.483 52 G N 2.879 111.666 108.800 -0.021 0.000 2.254 52 G HA2 -0.261 3.699 3.960 -0.000 0.000 0.225 52 G HA3 -0.261 3.699 3.960 -0.000 0.000 0.225 52 G C 1.011 175.903 174.900 -0.013 0.000 1.003 52 G CA 0.416 45.506 45.100 -0.017 0.000 0.622 52 G HN 0.732 nan 8.290 nan 0.000 0.507 53 R N -0.578 119.915 120.500 -0.011 0.000 2.383 53 R HA 0.349 4.689 4.340 -0.000 0.000 0.205 53 R C 0.851 177.148 176.300 -0.005 0.000 0.875 53 R CA 0.118 56.214 56.100 -0.006 0.000 1.039 53 R CB 0.301 30.599 30.300 -0.002 0.000 1.267 53 R HN 0.347 nan 8.270 nan 0.000 0.635 54 Q N 1.460 121.256 119.800 -0.007 0.000 2.849 54 Q HA 0.227 4.567 4.340 -0.000 0.000 0.289 54 Q C -0.887 175.105 176.000 -0.014 0.000 1.012 54 Q CA -0.236 55.565 55.803 -0.003 0.000 0.899 54 Q CB 1.540 30.280 28.738 0.003 0.000 1.235 54 Q HN 0.258 nan 8.270 nan 0.000 0.457 55 D N -0.218 120.168 120.400 -0.023 0.000 2.449 55 D HA 0.012 4.652 4.640 -0.000 0.000 0.210 55 D C 0.341 176.602 176.300 -0.066 0.000 1.094 55 D CA 0.284 54.258 54.000 -0.043 0.000 0.846 55 D CB 1.029 41.800 40.800 -0.048 0.000 1.003 55 D HN 0.328 nan 8.370 nan 0.000 0.504 56 Q N 0.317 120.087 119.800 -0.050 0.000 2.185 56 Q HA 0.185 4.525 4.340 -0.000 0.000 0.225 56 Q C -0.154 175.845 176.000 -0.001 0.000 0.983 56 Q CA -0.667 55.086 55.803 -0.084 0.000 0.950 56 Q CB 0.113 28.831 28.738 -0.033 0.000 1.176 56 Q HN 0.084 nan 8.270 nan 0.000 0.510 57 Y N 0.251 120.595 120.300 0.074 0.000 2.987 57 Y HA 0.059 4.609 4.550 -0.000 0.000 0.339 57 Y C 0.645 176.608 175.900 0.105 0.000 1.272 57 Y CA 0.543 58.726 58.100 0.138 0.000 1.562 57 Y CB -0.114 38.475 38.460 0.214 0.000 1.253 57 Y HN 0.519 nan 8.280 nan 0.000 0.604 58 A N 5.279 128.268 122.820 0.281 0.000 2.322 58 A HA 0.753 5.073 4.320 -0.000 0.000 0.327 58 A C -2.653 174.955 177.584 0.040 0.000 1.134 58 A CA -2.183 49.927 52.037 0.122 0.000 0.831 58 A CB 0.754 19.797 19.000 0.072 0.000 1.288 58 A HN 0.498 nan 8.150 nan 0.000 0.472 59 P HA 0.205 nan 4.420 nan 0.000 0.271 59 P C -2.004 175.150 177.300 -0.244 0.000 1.218 59 P CA -0.942 62.081 63.100 -0.127 0.000 0.780 59 P CB 0.274 31.926 31.700 -0.079 0.000 0.901 60 P HA -0.283 nan 4.420 nan 0.000 0.216 60 P C 1.225 178.368 177.300 -0.261 0.000 1.157 60 P CA 2.225 65.022 63.100 -0.506 0.000 0.880 60 P CB -0.341 30.989 31.700 -0.615 0.000 0.791 61 A N -1.381 121.324 122.820 -0.192 0.000 2.019 61 A HA 0.293 4.613 4.320 -0.000 0.000 0.219 61 A C 1.206 178.750 177.584 -0.067 0.000 1.164 61 A CA 1.595 53.566 52.037 -0.110 0.000 0.644 61 A CB -1.094 17.855 19.000 -0.085 0.000 0.805 61 A HN 0.400 nan 8.150 nan 0.000 0.449 62 G N -2.668 106.090 108.800 -0.071 0.000 2.340 62 G HA2 0.180 4.140 3.960 -0.000 0.000 0.527 62 G HA3 0.180 4.140 3.960 -0.000 0.000 0.527 62 G C -0.718 174.173 174.900 -0.015 0.000 1.381 62 G CA -0.565 44.519 45.100 -0.027 0.000 1.001 62 G HN 0.461 nan 8.290 nan 0.000 0.626 63 L N 1.601 122.828 121.223 0.007 0.000 2.455 63 L HA 0.150 4.489 4.340 -0.000 0.000 0.272 63 L C -0.724 176.148 176.870 0.003 0.000 1.174 63 L CA -1.274 53.573 54.840 0.011 0.000 0.869 63 L CB 1.530 43.603 42.059 0.023 0.000 1.130 63 L HN 0.429 nan 8.230 nan 0.000 0.474 64 P HA -0.236 nan 4.420 nan 0.000 0.216 64 P C 1.215 178.513 177.300 -0.004 0.000 1.157 64 P CA 1.768 64.865 63.100 -0.005 0.000 0.880 64 P CB 0.218 31.916 31.700 -0.003 0.000 0.791 65 A N -0.889 121.932 122.820 0.001 0.000 1.933 65 A HA -0.178 4.142 4.320 -0.000 0.000 0.218 65 A C 2.247 179.830 177.584 -0.002 0.000 1.175 65 A CA 1.318 53.355 52.037 0.001 0.000 0.628 65 A CB -1.601 17.403 19.000 0.007 0.000 0.814 65 A HN 0.157 nan 8.150 nan 0.000 0.444 66 L N -0.931 120.294 121.223 0.004 0.000 2.072 66 L HA -0.142 4.198 4.340 -0.000 0.000 0.205 66 L C 2.809 179.659 176.870 -0.032 0.000 1.079 66 L CA 1.278 56.117 54.840 -0.001 0.000 0.752 66 L CB -0.340 41.738 42.059 0.031 0.000 0.906 66 L HN 0.421 nan 8.230 nan 0.000 0.436 67 R N -0.190 120.296 120.500 -0.025 0.000 2.081 67 R HA -0.181 4.159 4.340 -0.000 0.000 0.235 67 R C 2.004 178.278 176.300 -0.044 0.000 1.131 67 R CA 1.566 57.642 56.100 -0.040 0.000 0.960 67 R CB -0.289 29.994 30.300 -0.027 0.000 0.856 67 R HN 0.509 nan 8.270 nan 0.000 0.436 68 E N 0.744 120.926 120.200 -0.029 0.000 2.072 68 E HA -0.138 4.212 4.350 -0.000 0.000 0.191 68 E C 2.105 178.688 176.600 -0.027 0.000 0.985 68 E CA 1.043 57.429 56.400 -0.024 0.000 0.801 68 E CB -0.102 29.589 29.700 -0.016 0.000 0.750 68 E HN 0.358 nan 8.360 nan 0.000 0.452 69 A N 1.270 124.070 122.820 -0.034 0.000 1.933 69 A HA -0.139 4.181 4.320 -0.000 0.000 0.218 69 A C 2.188 179.736 177.584 -0.060 0.000 1.175 69 A CA 1.009 53.023 52.037 -0.038 0.000 0.628 69 A CB -0.517 18.464 19.000 -0.032 0.000 0.814 69 A HN 0.116 nan 8.150 nan 0.000 0.444 70 L N -1.003 120.158 121.223 -0.104 0.000 2.072 70 L HA -0.113 4.227 4.340 -0.000 0.000 0.205 70 L C 3.100 179.991 176.870 0.036 0.000 1.079 70 L CA 0.856 55.619 54.840 -0.129 0.000 0.752 70 L CB -0.504 41.344 42.059 -0.352 0.000 0.906 70 L HN 0.422 nan 8.230 nan 0.000 0.436 71 A N -0.056 122.760 122.820 -0.007 0.000 1.908 71 A HA -0.295 4.025 4.320 -0.000 0.000 0.218 71 A C 2.249 179.863 177.584 0.050 0.000 1.181 71 A CA 2.103 54.156 52.037 0.027 0.000 0.627 71 A CB -0.567 18.430 19.000 -0.005 0.000 0.818 71 A HN 0.499 nan 8.150 nan 0.000 0.445 72 E N -0.277 119.933 120.200 0.016 0.000 2.110 72 E HA -0.215 4.135 4.350 -0.000 0.000 0.193 72 E C 1.906 178.500 176.600 -0.011 0.000 0.988 72 E CA 1.297 57.698 56.400 0.002 0.000 0.804 72 E CB -0.136 29.557 29.700 -0.012 0.000 0.745 72 E HN 0.750 nan 8.360 nan 0.000 0.458 73 E N -0.703 119.483 120.200 -0.024 0.000 2.106 73 E HA -0.138 4.211 4.350 -0.000 0.000 0.192 73 E C 1.518 177.979 176.600 -0.231 0.000 0.984 73 E CA 0.858 57.175 56.400 -0.138 0.000 0.806 73 E CB -0.021 29.545 29.700 -0.224 0.000 0.750 73 E HN 0.332 nan 8.360 nan 0.000 0.458 74 F N -0.196 119.713 119.950 -0.070 0.000 2.765 74 F HA 0.286 4.813 4.527 -0.000 0.000 0.302 74 F C 0.907 176.684 175.800 -0.038 0.000 1.111 74 F CA 0.323 58.295 58.000 -0.047 0.000 1.359 74 F CB 0.462 39.431 39.000 -0.052 0.000 1.097 74 F HN -0.133 nan 8.300 nan 0.000 0.577 75 A N 0.606 123.482 122.820 0.094 0.000 2.739 75 A HA -0.050 4.270 4.320 -0.000 0.000 0.296 75 A C 0.128 177.744 177.584 0.052 0.000 1.488 75 A CA 0.701 52.766 52.037 0.046 0.000 0.746 75 A CB -2.523 16.487 19.000 0.017 0.000 1.047 75 A HN 0.505 nan 8.150 nan 0.000 0.477 76 V N -3.312 116.636 119.914 0.058 0.000 3.119 76 V HA 0.971 5.091 4.120 -0.000 0.000 0.311 76 V C 0.113 176.212 176.094 0.009 0.000 1.259 76 V CA -0.570 61.746 62.300 0.028 0.000 1.067 76 V CB 1.743 33.580 31.823 0.023 0.000 1.123 76 V HN 0.882 nan 8.190 nan 0.000 0.463 77 E N 0.063 120.260 120.200 -0.006 0.000 2.283 77 E HA 0.434 4.784 4.350 -0.000 0.000 0.267 77 E C -2.439 174.150 176.600 -0.018 0.000 1.045 77 E CA -2.000 54.393 56.400 -0.012 0.000 0.884 77 E CB 1.033 30.723 29.700 -0.016 0.000 1.106 77 E HN 0.383 nan 8.360 nan 0.000 0.408 78 P HA -0.220 nan 4.420 nan 0.000 0.217 78 P C 0.930 178.214 177.300 -0.026 0.000 1.151 78 P CA 1.626 64.711 63.100 -0.024 0.000 0.849 78 P CB 0.141 31.829 31.700 -0.021 0.000 0.787 79 E N -0.287 119.900 120.200 -0.023 0.000 2.478 79 E HA -0.061 4.289 4.350 -0.000 0.000 0.198 79 E C 1.093 177.683 176.600 -0.017 0.000 1.046 79 E CA 1.011 57.398 56.400 -0.021 0.000 0.870 79 E CB -0.969 28.719 29.700 -0.021 0.000 0.818 79 E HN 0.363 nan 8.360 nan 0.000 0.527 80 S N -0.234 115.453 115.700 -0.022 0.000 2.572 80 S HA 0.281 4.751 4.470 -0.000 0.000 0.228 80 S C 0.437 175.022 174.600 -0.025 0.000 0.963 80 S CA -0.604 57.585 58.200 -0.018 0.000 0.939 80 S CB 0.233 63.415 63.200 -0.030 0.000 0.804 80 S HN 0.005 nan 8.310 nan 0.000 0.480 81 V N 1.627 121.523 119.914 -0.030 0.000 2.487 81 V HA 0.571 4.691 4.120 -0.000 0.000 0.298 81 V C -0.613 175.482 176.094 0.000 0.000 1.028 81 V CA -0.677 61.600 62.300 -0.038 0.000 0.860 81 V CB 1.699 33.472 31.823 -0.084 0.000 0.991 81 V HN 0.247 nan 8.190 nan 0.000 0.427 82 V N 5.286 125.223 119.914 0.038 0.000 2.540 82 V HA 0.463 4.583 4.120 -0.000 0.000 0.302 82 V C -0.273 175.871 176.094 0.084 0.000 1.035 82 V CA -0.657 61.664 62.300 0.035 0.000 0.873 82 V CB 2.301 34.136 31.823 0.020 0.000 0.992 82 V HN 0.611 nan 8.190 nan 0.000 0.428 83 V N 4.784 124.737 119.914 0.064 0.000 2.383 83 V HA 0.524 4.644 4.120 -0.000 0.000 0.275 83 V C 0.571 176.700 176.094 0.058 0.000 1.036 83 V CA -0.150 62.216 62.300 0.111 0.000 0.889 83 V CB 1.641 33.525 31.823 0.102 0.000 0.985 83 V HN 1.065 nan 8.190 nan 0.000 0.459 84 T N 1.117 115.711 114.554 0.068 0.000 2.949 84 T HA 0.385 4.735 4.350 -0.000 0.000 0.287 84 T C 0.203 174.922 174.700 0.032 0.000 1.034 84 T CA -0.750 61.365 62.100 0.026 0.000 1.018 84 T CB 1.576 70.448 68.868 0.007 0.000 1.135 84 T HN 0.380 nan 8.240 nan 0.000 0.532 85 S N 1.409 117.124 115.700 0.024 0.000 4.139 85 S HA 0.555 5.025 4.470 -0.000 0.000 0.215 85 S C 0.834 175.443 174.600 0.015 0.000 1.390 85 S CA 0.063 58.281 58.200 0.031 0.000 0.885 85 S CB -1.178 62.042 63.200 0.034 0.000 1.560 85 S HN 1.426 nan 8.310 nan 0.000 0.449 86 G N 1.129 109.928 108.800 -0.003 0.000 2.690 86 G HA2 0.063 4.023 3.960 -0.000 0.000 0.686 86 G HA3 0.063 4.023 3.960 -0.000 0.000 0.686 86 G C 0.538 175.387 174.900 -0.086 0.000 1.277 86 G CA -0.550 44.524 45.100 -0.043 0.000 0.799 86 G HN 0.664 nan 8.290 nan 0.000 0.613 87 A N 0.208 122.935 122.820 -0.156 0.000 2.070 87 A HA 0.147 4.467 4.320 -0.000 0.000 0.220 87 A C 2.588 180.144 177.584 -0.048 0.000 1.159 87 A CA 2.846 54.780 52.037 -0.172 0.000 0.656 87 A CB -0.674 18.168 19.000 -0.263 0.000 0.800 87 A HN 1.522 nan 8.150 nan 0.000 0.453 88 T N -0.453 114.100 114.554 -0.002 0.000 2.684 88 T HA -0.188 4.162 4.350 -0.000 0.000 0.267 88 T C 1.864 176.615 174.700 0.084 0.000 1.036 88 T CA 1.709 63.855 62.100 0.076 0.000 1.148 88 T CB -0.179 68.730 68.868 0.068 0.000 0.863 88 T HN 0.745 nan 8.240 nan 0.000 0.436 89 E N 0.531 120.758 120.200 0.046 0.000 2.106 89 E HA -0.066 4.284 4.350 -0.000 0.000 0.192 89 E C 2.429 179.079 176.600 0.084 0.000 0.984 89 E CA 0.808 57.250 56.400 0.070 0.000 0.806 89 E CB -0.195 29.525 29.700 0.034 0.000 0.750 89 E HN 0.454 nan 8.360 nan 0.000 0.458 90 A N 1.285 124.118 122.820 0.021 0.000 1.892 90 A HA -0.209 4.111 4.320 -0.000 0.000 0.218 90 A C 2.201 179.780 177.584 -0.008 0.000 1.188 90 A CA 1.438 53.467 52.037 -0.014 0.000 0.631 90 A CB -0.814 18.149 19.000 -0.061 0.000 0.822 90 A HN 0.324 nan 8.150 nan 0.000 0.447 91 L N -2.415 118.831 121.223 0.038 0.000 2.046 91 L HA -0.194 4.146 4.340 -0.000 0.000 0.208 91 L C 2.608 179.520 176.870 0.070 0.000 1.077 91 L CA 1.875 56.752 54.840 0.063 0.000 0.747 91 L CB -0.616 41.549 42.059 0.178 0.000 0.896 91 L HN 0.626 nan 8.230 nan 0.000 0.432 92 Y N -0.043 120.260 120.300 0.004 0.000 2.145 92 Y HA -0.231 4.319 4.550 -0.000 0.000 0.286 92 Y C 2.429 178.304 175.900 -0.041 0.000 1.145 92 Y CA 1.626 59.726 58.100 -0.002 0.000 1.148 92 Y CB -0.190 38.279 38.460 0.015 0.000 0.981 92 Y HN -0.185 nan 8.280 nan 0.000 0.507 93 V N 0.499 120.439 119.914 0.043 0.000 2.490 93 V HA -0.302 3.818 4.120 -0.000 0.000 0.250 93 V C 2.333 178.295 176.094 -0.220 0.000 1.061 93 V CA 1.851 64.104 62.300 -0.077 0.000 1.064 93 V CB -0.587 31.236 31.823 0.001 0.000 0.670 93 V HN 0.463 nan 8.190 nan 0.000 0.461 94 L N -1.202 119.877 121.223 -0.241 0.000 2.027 94 L HA -0.147 4.193 4.340 -0.000 0.000 0.206 94 L C 2.332 178.984 176.870 -0.363 0.000 1.074 94 L CA 1.493 56.109 54.840 -0.374 0.000 0.745 94 L CB -0.363 41.475 42.059 -0.369 0.000 0.898 94 L HN 0.269 nan 8.230 nan 0.000 0.433 95 L N -0.747 120.306 121.223 -0.284 0.000 2.083 95 L HA -0.238 4.102 4.340 -0.000 0.000 0.209 95 L C 2.614 179.315 176.870 -0.282 0.000 1.083 95 L CA 0.936 55.624 54.840 -0.253 0.000 0.752 95 L CB -0.268 41.676 42.059 -0.191 0.000 0.899 95 L HN 0.298 nan 8.230 nan 0.000 0.433 96 Q N -0.524 119.061 119.800 -0.359 0.000 2.170 96 Q HA -0.147 4.193 4.340 -0.000 0.000 0.203 96 Q C 2.129 177.985 176.000 -0.241 0.000 0.976 96 Q CA 1.777 57.377 55.803 -0.338 0.000 0.858 96 Q CB 0.080 28.550 28.738 -0.446 0.000 0.907 96 Q HN 0.314 nan 8.270 nan 0.000 0.433 97 S N -1.018 114.521 115.700 -0.269 0.000 2.503 97 S HA 0.171 4.641 4.470 -0.000 0.000 0.217 97 S C 1.325 175.744 174.600 -0.301 0.000 0.999 97 S CA 0.245 58.290 58.200 -0.258 0.000 0.914 97 S CB 0.269 63.288 63.200 -0.302 0.000 0.782 97 S HN 0.338 nan 8.310 nan 0.000 0.520 98 L N 0.849 121.873 121.223 -0.331 0.000 2.537 98 L HA 0.311 4.651 4.340 -0.000 0.000 0.224 98 L C 0.266 177.056 176.870 -0.133 0.000 1.065 98 L CA 0.008 54.662 54.840 -0.310 0.000 0.860 98 L CB 0.356 42.152 42.059 -0.438 0.000 1.086 98 L HN 0.174 nan 8.230 nan 0.000 0.482 99 V N -3.198 116.637 119.914 -0.132 0.000 3.078 99 V HA 1.008 5.128 4.120 -0.000 0.000 0.311 99 V C -0.301 175.737 176.094 -0.093 0.000 1.138 99 V CA -0.341 61.910 62.300 -0.082 0.000 1.007 99 V CB 1.454 33.235 31.823 -0.069 0.000 1.045 99 V HN 0.051 nan 8.190 nan 0.000 0.432 100 G N 0.786 109.544 108.800 -0.070 0.000 2.815 100 G HA2 0.740 4.700 3.960 -0.000 0.000 0.305 100 G HA3 0.740 4.700 3.960 -0.000 0.000 0.305 100 G C -3.411 171.449 174.900 -0.067 0.000 1.277 100 G CA -1.547 43.507 45.100 -0.078 0.000 0.795 100 G HN 0.648 nan 8.290 nan 0.000 0.528 101 P HA 0.275 nan 4.420 nan 0.000 0.264 101 P C 0.880 178.158 177.300 -0.037 0.000 1.193 101 P CA 1.992 65.058 63.100 -0.057 0.000 0.763 101 P CB 0.934 32.601 31.700 -0.055 0.000 0.810 102 G N 1.999 110.781 108.800 -0.030 0.000 2.241 102 G HA2 -0.178 3.782 3.960 -0.000 0.000 0.244 102 G HA3 -0.178 3.782 3.960 -0.000 0.000 0.244 102 G C -0.024 174.868 174.900 -0.012 0.000 0.998 102 G CA -0.257 44.833 45.100 -0.017 0.000 0.621 102 G HN 0.498 nan 8.290 nan 0.000 0.519 103 D N 0.897 121.286 120.400 -0.018 0.000 2.294 103 D HA 0.630 5.270 4.640 -0.000 0.000 0.250 103 D C 0.331 176.623 176.300 -0.012 0.000 1.058 103 D CA -0.029 53.964 54.000 -0.012 0.000 0.950 103 D CB 1.216 42.006 40.800 -0.015 0.000 1.158 103 D HN 0.471 nan 8.370 nan 0.000 0.453 104 E N -0.164 120.033 120.200 -0.005 0.000 2.288 104 E HA 0.567 4.917 4.350 -0.000 0.000 0.268 104 E C -1.196 175.400 176.600 -0.006 0.000 0.885 104 E CA -0.928 55.469 56.400 -0.005 0.000 0.767 104 E CB 2.494 32.194 29.700 0.000 0.000 1.220 104 E HN 0.023 nan 8.360 nan 0.000 0.427 105 V N 2.531 122.438 119.914 -0.011 0.000 2.577 105 V HA 0.260 4.380 4.120 -0.000 0.000 0.303 105 V C -0.384 175.702 176.094 -0.013 0.000 1.042 105 V CA -0.909 61.380 62.300 -0.017 0.000 0.872 105 V CB 1.824 33.626 31.823 -0.035 0.000 0.998 105 V HN 0.432 nan 8.190 nan 0.000 0.423 106 V N 5.426 125.331 119.914 -0.014 0.000 2.498 106 V HA 0.474 4.594 4.120 -0.000 0.000 0.279 106 V C -0.042 176.051 176.094 -0.002 0.000 1.048 106 V CA -0.236 62.062 62.300 -0.004 0.000 0.967 106 V CB 1.555 33.370 31.823 -0.014 0.000 0.988 106 V HN 0.610 nan 8.190 nan 0.000 0.473 107 V N 5.912 125.847 119.914 0.034 0.000 2.638 107 V HA 0.439 4.559 4.120 -0.000 0.000 0.306 107 V C -0.441 175.744 176.094 0.152 0.000 1.052 107 V CA -0.731 61.612 62.300 0.071 0.000 0.885 107 V CB 1.898 33.770 31.823 0.081 0.000 0.999 107 V HN 0.589 nan 8.190 nan 0.000 0.424 108 L N 3.645 124.976 121.223 0.180 0.000 2.371 108 L HA 0.491 4.831 4.340 -0.000 0.000 0.272 108 L C 0.271 177.291 176.870 0.250 0.000 1.124 108 L CA 0.450 55.405 54.840 0.192 0.000 0.816 108 L CB 0.713 42.880 42.059 0.181 0.000 1.129 108 L HN 0.724 nan 8.230 nan 0.000 0.448 109 E N 4.502 124.809 120.200 0.179 0.000 2.187 109 E HA 0.427 4.777 4.350 -0.000 0.000 0.268 109 E C -2.518 174.022 176.600 -0.099 0.000 0.896 109 E CA -2.194 54.236 56.400 0.051 0.000 0.766 109 E CB 1.875 31.688 29.700 0.189 0.000 1.142 109 E HN 0.296 nan 8.360 nan 0.000 0.408 110 P HA 0.043 nan 4.420 nan 0.000 0.268 110 P C -0.908 176.151 177.300 -0.402 0.000 1.205 110 P CA 0.075 62.648 63.100 -0.880 0.000 0.771 110 P CB 0.176 31.238 31.700 -1.063 0.000 0.858 111 F N 1.273 121.199 119.950 -0.039 0.000 2.557 111 F HA 0.636 5.163 4.527 -0.000 0.000 0.336 111 F C -0.247 175.598 175.800 0.075 0.000 1.058 111 F CA -2.337 55.728 58.000 0.107 0.000 0.988 111 F CB 0.135 39.248 39.000 0.190 0.000 1.275 111 F HN 0.169 nan 8.300 nan 0.000 0.488 112 F N 1.482 121.407 119.950 -0.043 0.000 2.389 112 F HA 0.204 4.731 4.527 -0.000 0.000 0.337 112 F C 1.560 177.194 175.800 -0.276 0.000 1.112 112 F CA -0.251 57.532 58.000 -0.362 0.000 1.192 112 F CB 0.941 39.423 39.000 -0.863 0.000 1.185 112 F HN 0.777 nan 8.300 nan 0.000 0.552 113 D N 2.435 122.134 120.400 -1.167 0.000 2.191 113 D HA -0.236 4.404 4.640 -0.000 0.000 0.195 113 D C 1.805 177.787 176.300 -0.530 0.000 1.003 113 D CA 2.348 55.921 54.000 -0.711 0.000 0.867 113 D CB -0.012 40.343 40.800 -0.741 0.000 0.926 113 D HN 0.337 nan 8.370 nan 0.000 0.450 114 V N -2.054 117.475 119.914 -0.642 0.000 3.506 114 V HA 0.029 4.149 4.120 -0.000 0.000 0.263 114 V C 1.617 177.751 176.094 0.067 0.000 1.203 114 V CA 0.213 62.416 62.300 -0.160 0.000 1.133 114 V CB -0.887 30.953 31.823 0.028 0.000 0.802 114 V HN 0.050 nan 8.190 nan 0.000 0.459 115 Y N 0.939 121.238 120.300 -0.001 0.000 2.070 115 Y HA -0.089 4.461 4.550 -0.000 0.000 0.280 115 Y C 2.356 178.196 175.900 -0.100 0.000 1.148 115 Y CA 1.474 59.563 58.100 -0.017 0.000 1.125 115 Y CB -1.341 37.123 38.460 0.006 0.000 0.975 115 Y HN 0.254 nan 8.280 nan 0.000 0.492 116 L N -0.235 120.940 121.223 -0.080 0.000 2.017 116 L HA -0.125 4.215 4.340 -0.000 0.000 0.208 116 L C -0.360 176.506 176.870 -0.007 0.000 1.073 116 L CA 2.022 56.783 54.840 -0.133 0.000 0.745 116 L CB -2.295 39.556 42.059 -0.348 0.000 0.894 116 L HN 0.119 nan 8.230 nan 0.000 0.432 117 P HA -0.119 nan 4.420 nan 0.000 0.215 117 P C 0.978 178.382 177.300 0.174 0.000 1.153 117 P CA 1.283 64.419 63.100 0.060 0.000 0.853 117 P CB 0.038 31.749 31.700 0.017 0.000 0.788 118 D N -0.854 119.637 120.400 0.151 0.000 2.144 118 D HA -0.096 4.544 4.640 -0.000 0.000 0.200 118 D C 2.009 178.341 176.300 0.053 0.000 0.978 118 D CA 1.431 55.517 54.000 0.143 0.000 0.833 118 D CB -0.853 40.033 40.800 0.142 0.000 0.961 118 D HN 0.043 nan 8.370 nan 0.000 0.470 119 A N 0.556 123.411 122.820 0.059 0.000 1.877 119 A HA -0.175 4.145 4.320 -0.000 0.000 0.216 119 A C 2.138 179.750 177.584 0.046 0.000 1.186 119 A CA 1.181 53.229 52.037 0.019 0.000 0.620 119 A CB -1.112 17.900 19.000 0.020 0.000 0.822 119 A HN 0.273 nan 8.150 nan 0.000 0.443 120 F N 0.632 120.564 119.950 -0.031 0.000 2.095 120 F HA -0.138 4.389 4.527 -0.000 0.000 0.298 120 F C 1.794 177.589 175.800 -0.009 0.000 1.104 120 F CA 1.770 59.760 58.000 -0.017 0.000 1.232 120 F CB -0.262 38.732 39.000 -0.009 0.000 0.987 120 F HN 0.125 nan 8.300 nan 0.000 0.475 121 L N -0.066 121.262 121.223 0.175 0.000 2.362 121 L HA -0.111 4.229 4.340 -0.000 0.000 0.219 121 L C 2.339 179.144 176.870 -0.108 0.000 1.134 121 L CA 0.819 55.697 54.840 0.064 0.000 0.807 121 L CB -0.843 41.362 42.059 0.243 0.000 0.927 121 L HN 0.313 nan 8.230 nan 0.000 0.447 122 A N -0.783 121.952 122.820 -0.142 0.000 2.275 122 A HA 0.340 4.660 4.320 -0.000 0.000 0.212 122 A C 1.755 179.235 177.584 -0.174 0.000 1.201 122 A CA 0.617 52.549 52.037 -0.175 0.000 0.843 122 A CB -0.144 18.748 19.000 -0.179 0.000 0.873 122 A HN 0.452 nan 8.150 nan 0.000 0.492 123 G N -1.658 107.000 108.800 -0.237 0.000 2.148 123 G HA2 0.042 4.002 3.960 -0.000 0.000 0.254 123 G HA3 0.042 4.002 3.960 -0.000 0.000 0.254 123 G C 0.453 175.259 174.900 -0.157 0.000 0.981 123 G CA 0.554 45.508 45.100 -0.243 0.000 0.670 123 G HN 1.549 nan 8.290 nan 0.000 0.528 124 A N -0.577 122.171 122.820 -0.120 0.000 2.252 124 A HA 0.803 5.123 4.320 -0.000 0.000 0.305 124 A C 0.386 177.947 177.584 -0.038 0.000 1.097 124 A CA 0.204 52.199 52.037 -0.070 0.000 0.849 124 A CB 0.894 19.856 19.000 -0.063 0.000 1.142 124 A HN 0.588 nan 8.150 nan 0.000 0.499 125 K N 0.375 120.764 120.400 -0.018 0.000 2.182 125 K HA 0.625 4.944 4.320 -0.000 0.000 0.262 125 K C -0.623 175.982 176.600 0.008 0.000 0.957 125 K CA -0.412 55.879 56.287 0.007 0.000 0.842 125 K CB 1.453 33.958 32.500 0.009 0.000 1.099 125 K HN 0.802 nan 8.250 nan 0.000 0.438 126 A N 4.180 127.010 122.820 0.018 0.000 2.292 126 A HA 0.431 4.751 4.320 -0.000 0.000 0.319 126 A C -0.793 176.805 177.584 0.023 0.000 1.206 126 A CA -0.737 51.306 52.037 0.010 0.000 0.835 126 A CB 0.762 19.759 19.000 -0.004 0.000 1.164 126 A HN 0.851 nan 8.150 nan 0.000 0.505 127 R N 3.065 123.579 120.500 0.025 0.000 2.310 127 R HA 0.536 4.876 4.340 -0.000 0.000 0.324 127 R C -1.226 175.109 176.300 0.057 0.000 0.955 127 R CA -0.446 55.676 56.100 0.037 0.000 0.830 127 R CB 0.543 30.857 30.300 0.024 0.000 1.154 127 R HN 0.766 nan 8.270 nan 0.000 0.458 128 L N 4.465 125.740 121.223 0.087 0.000 2.349 128 L HA 0.385 4.725 4.340 -0.000 0.000 0.275 128 L C -0.392 176.547 176.870 0.116 0.000 1.115 128 L CA -0.839 54.079 54.840 0.131 0.000 0.820 128 L CB 1.635 43.810 42.059 0.194 0.000 1.135 128 L HN 0.336 nan 8.230 nan 0.000 0.445 129 V N 3.712 123.700 119.914 0.123 0.000 2.305 129 V HA 0.283 4.403 4.120 -0.000 0.000 0.275 129 V C 0.202 176.375 176.094 0.131 0.000 1.020 129 V CA -0.615 61.745 62.300 0.100 0.000 0.811 129 V CB 1.208 33.070 31.823 0.064 0.000 1.031 129 V HN 0.694 nan 8.190 nan 0.000 0.439 130 R N 3.831 124.420 120.500 0.148 0.000 2.401 130 R HA 0.376 4.716 4.340 -0.000 0.000 0.299 130 R C -0.622 175.779 176.300 0.168 0.000 1.064 130 R CA -0.573 55.640 56.100 0.188 0.000 1.000 130 R CB 0.501 30.928 30.300 0.212 0.000 0.973 130 R HN 0.498 nan 8.270 nan 0.000 0.438 131 L N 3.640 124.983 121.223 0.199 0.000 2.452 131 L HA 0.087 4.427 4.340 -0.000 0.000 0.267 131 L C 0.130 177.127 176.870 0.212 0.000 1.188 131 L CA 0.597 55.560 54.840 0.204 0.000 0.821 131 L CB 0.654 42.865 42.059 0.254 0.000 1.102 131 L HN 0.619 nan 8.230 nan 0.000 0.470 132 D N 2.136 122.620 120.400 0.140 0.000 2.351 132 D HA 0.207 4.847 4.640 -0.000 0.000 0.251 132 D C -0.380 175.913 176.300 -0.010 0.000 1.137 132 D CA -0.262 53.776 54.000 0.064 0.000 0.879 132 D CB 1.637 42.456 40.800 0.030 0.000 1.181 132 D HN 0.139 nan 8.370 nan 0.000 0.448 133 L N 3.014 124.161 121.223 -0.127 0.000 2.283 133 L HA 0.232 4.572 4.340 -0.000 0.000 0.281 133 L C 0.240 176.940 176.870 -0.285 0.000 1.033 133 L CA -0.220 54.365 54.840 -0.424 0.000 0.848 133 L CB 0.692 42.438 42.059 -0.522 0.000 1.226 133 L HN 0.379 nan 8.230 nan 0.000 0.429 134 T N 1.744 116.149 114.554 -0.249 0.000 2.923 134 T HA 0.574 4.924 4.350 -0.000 0.000 0.281 134 T C -1.923 172.740 174.700 -0.061 0.000 0.995 134 T CA -1.793 60.240 62.100 -0.113 0.000 0.985 134 T CB 1.427 70.262 68.868 -0.055 0.000 1.114 134 T HN 0.378 nan 8.240 nan 0.000 0.548 135 P HA 0.041 nan 4.420 nan 0.000 0.222 135 P C 0.872 178.248 177.300 0.126 0.000 1.147 135 P CA 0.795 63.949 63.100 0.090 0.000 0.790 135 P CB 0.090 31.818 31.700 0.047 0.000 0.780 136 E N -1.090 119.151 120.200 0.069 0.000 2.170 136 E HA 0.271 4.621 4.350 -0.000 0.000 0.191 136 E C 1.265 177.928 176.600 0.106 0.000 0.981 136 E CA 0.826 57.274 56.400 0.079 0.000 0.830 136 E CB -0.212 29.515 29.700 0.046 0.000 0.775 136 E HN 0.183 nan 8.360 nan 0.000 0.470 137 G N -0.980 107.809 108.800 -0.018 0.000 2.340 137 G HA2 0.031 3.991 3.960 -0.000 0.000 0.282 137 G HA3 0.031 3.991 3.960 -0.000 0.000 0.282 137 G C -1.377 173.337 174.900 -0.311 0.000 1.312 137 G CA -1.131 43.856 45.100 -0.188 0.000 0.942 137 G HN -0.008 nan 8.290 nan 0.000 0.495 138 F N 1.028 120.888 119.950 -0.149 0.000 2.471 138 F HA 0.711 5.238 4.527 -0.000 0.000 0.353 138 F C 1.143 176.942 175.800 -0.002 0.000 1.113 138 F CA 0.426 58.376 58.000 -0.083 0.000 1.262 138 F CB 1.292 40.251 39.000 -0.068 0.000 1.146 138 F HN 0.514 nan 8.300 nan 0.000 0.578 139 R N 2.996 123.612 120.500 0.195 0.000 2.584 139 R HA 0.531 4.870 4.340 -0.000 0.000 0.276 139 R C -2.047 174.334 176.300 0.134 0.000 1.046 139 R CA -1.105 55.081 56.100 0.142 0.000 0.906 139 R CB 1.524 31.867 30.300 0.072 0.000 1.215 139 R HN 0.616 nan 8.270 nan 0.000 0.449 140 L N 3.542 124.832 121.223 0.113 0.000 2.276 140 L HA 0.361 4.701 4.340 -0.000 0.000 0.286 140 L C -0.855 176.017 176.870 0.003 0.000 1.061 140 L CA 0.069 54.940 54.840 0.050 0.000 0.807 140 L CB 1.257 43.292 42.059 -0.040 0.000 1.177 140 L HN 0.563 nan 8.230 nan 0.000 0.429 141 D N 4.457 124.861 120.400 0.006 0.000 2.428 141 D HA 0.153 4.792 4.640 -0.000 0.000 0.221 141 D C 1.010 177.292 176.300 -0.029 0.000 1.123 141 D CA -0.072 53.925 54.000 -0.006 0.000 0.869 141 D CB 0.603 41.410 40.800 0.011 0.000 1.032 141 D HN 0.686 nan 8.370 nan 0.000 0.506 142 L N 2.297 123.490 121.223 -0.050 0.000 2.191 142 L HA -0.143 4.197 4.340 -0.000 0.000 0.212 142 L C 2.197 179.041 176.870 -0.043 0.000 1.103 142 L CA 0.620 55.420 54.840 -0.065 0.000 0.769 142 L CB -0.159 41.854 42.059 -0.077 0.000 0.908 142 L HN 0.313 nan 8.230 nan 0.000 0.438 143 S N -0.078 115.606 115.700 -0.026 0.000 2.368 143 S HA -0.132 4.338 4.470 -0.000 0.000 0.224 143 S C 2.207 176.800 174.600 -0.013 0.000 1.029 143 S CA 1.172 59.363 58.200 -0.016 0.000 0.988 143 S CB -0.214 62.982 63.200 -0.007 0.000 0.838 143 S HN 0.514 nan 8.310 nan 0.000 0.462 144 A N 1.203 124.018 122.820 -0.008 0.000 1.969 144 A HA 0.059 4.379 4.320 -0.000 0.000 0.218 144 A C 2.061 179.640 177.584 -0.009 0.000 1.169 144 A CA 0.863 52.900 52.037 0.000 0.000 0.635 144 A CB -0.581 18.427 19.000 0.014 0.000 0.810 144 A HN 0.469 nan 8.150 nan 0.000 0.445 145 L N -0.794 120.414 121.223 -0.026 0.000 2.005 145 L HA -0.165 4.175 4.340 -0.000 0.000 0.207 145 L C 2.553 179.387 176.870 -0.060 0.000 1.072 145 L CA 2.154 56.968 54.840 -0.043 0.000 0.744 145 L CB -0.364 41.653 42.059 -0.069 0.000 0.895 145 L HN 0.586 nan 8.230 nan 0.000 0.433 146 E N 0.013 120.177 120.200 -0.059 0.000 2.110 146 E HA -0.305 4.045 4.350 -0.000 0.000 0.193 146 E C 2.070 178.639 176.600 -0.052 0.000 0.988 146 E CA 1.132 57.490 56.400 -0.069 0.000 0.804 146 E CB 0.058 29.737 29.700 -0.034 0.000 0.745 146 E HN 0.303 nan 8.360 nan 0.000 0.458 147 K N -0.341 120.043 120.400 -0.026 0.000 2.442 147 K HA -0.051 4.269 4.320 -0.000 0.000 0.198 147 K C 1.430 178.023 176.600 -0.012 0.000 1.042 147 K CA 0.780 57.061 56.287 -0.010 0.000 0.958 147 K CB 0.083 32.583 32.500 0.000 0.000 0.766 147 K HN 0.100 nan 8.250 nan 0.000 0.474 148 A N 0.638 123.442 122.820 -0.026 0.000 2.195 148 A HA 0.199 4.519 4.320 -0.000 0.000 0.210 148 A C 0.613 178.173 177.584 -0.040 0.000 1.165 148 A CA -0.217 51.808 52.037 -0.020 0.000 0.806 148 A CB 0.058 19.052 19.000 -0.011 0.000 0.847 148 A HN 0.157 nan 8.150 nan 0.000 0.482 149 L N 1.464 122.638 121.223 -0.082 0.000 2.380 149 L HA 0.383 4.723 4.340 -0.000 0.000 0.273 149 L C 0.742 177.586 176.870 -0.043 0.000 1.138 149 L CA 0.019 54.787 54.840 -0.120 0.000 0.832 149 L CB 0.904 42.767 42.059 -0.327 0.000 1.124 149 L HN 0.396 nan 8.230 nan 0.000 0.454 150 T N -1.168 113.378 114.554 -0.013 0.000 2.838 150 T HA 0.429 4.779 4.350 -0.000 0.000 0.292 150 T C -2.294 172.432 174.700 0.043 0.000 1.113 150 T CA -1.645 60.469 62.100 0.023 0.000 1.008 150 T CB 1.850 70.727 68.868 0.014 0.000 1.259 150 T HN 0.205 nan 8.240 nan 0.000 0.520 151 P HA 0.063 nan 4.420 nan 0.000 0.219 151 P C 1.085 178.403 177.300 0.029 0.000 1.146 151 P CA 0.872 63.996 63.100 0.040 0.000 0.808 151 P CB 0.071 31.787 31.700 0.027 0.000 0.779 152 R N -2.027 118.486 120.500 0.021 0.000 2.300 152 R HA 0.128 4.467 4.340 -0.000 0.000 0.199 152 R C 0.286 176.594 176.300 0.013 0.000 0.920 152 R CA 0.198 56.306 56.100 0.014 0.000 1.046 152 R CB -0.340 29.965 30.300 0.009 0.000 0.984 152 R HN 0.057 nan 8.270 nan 0.000 0.493 153 T N 1.657 116.219 114.554 0.014 0.000 2.765 153 T HA 0.072 4.422 4.350 -0.000 0.000 0.284 153 T C 1.002 175.713 174.700 0.018 0.000 0.946 153 T CA 0.151 62.254 62.100 0.006 0.000 1.185 153 T CB 0.794 69.652 68.868 -0.017 0.000 0.887 153 T HN 0.085 nan 8.240 nan 0.000 0.532 154 R N 1.520 122.036 120.500 0.027 0.000 2.225 154 R HA 0.428 4.768 4.340 -0.000 0.000 0.194 154 R C 0.672 177.034 176.300 0.104 0.000 0.957 154 R CA 0.206 56.341 56.100 0.059 0.000 1.042 154 R CB 0.349 30.691 30.300 0.071 0.000 1.004 154 R HN 0.649 nan 8.270 nan 0.000 0.509 155 A N 0.623 123.487 122.820 0.072 0.000 2.587 155 A HA 0.645 4.965 4.320 -0.000 0.000 0.293 155 A C -1.706 175.898 177.584 0.032 0.000 1.087 155 A CA -0.604 51.489 52.037 0.093 0.000 0.692 155 A CB 1.642 20.697 19.000 0.091 0.000 1.291 155 A HN 0.131 nan 8.150 nan 0.000 0.407 156 L N 1.468 122.713 121.223 0.038 0.000 2.376 156 L HA 0.656 4.996 4.340 -0.000 0.000 0.275 156 L C -1.531 175.332 176.870 -0.011 0.000 0.987 156 L CA -0.723 54.118 54.840 0.003 0.000 0.828 156 L CB 1.287 43.346 42.059 0.001 0.000 1.249 156 L HN 0.756 nan 8.230 nan 0.000 0.409 157 L N 5.563 126.749 121.223 -0.062 0.000 2.255 157 L HA 0.455 4.795 4.340 -0.000 0.000 0.289 157 L C -0.937 175.875 176.870 -0.096 0.000 1.046 157 L CA -0.443 54.309 54.840 -0.146 0.000 0.816 157 L CB 1.456 43.323 42.059 -0.320 0.000 1.197 157 L HN 0.593 nan 8.230 nan 0.000 0.427 158 L N 5.714 126.921 121.223 -0.026 0.000 2.330 158 L HA 0.514 4.854 4.340 -0.000 0.000 0.271 158 L C -0.644 176.279 176.870 0.088 0.000 1.013 158 L CA -0.167 54.731 54.840 0.096 0.000 0.816 158 L CB 1.902 44.059 42.059 0.162 0.000 1.287 158 L HN 0.619 nan 8.230 nan 0.000 0.435 159 N N 1.450 120.235 118.700 0.143 0.000 2.519 159 N HA 0.398 5.138 4.740 -0.000 0.000 0.286 159 N C -1.806 173.659 175.510 -0.076 0.000 1.079 159 N CA -0.169 52.928 53.050 0.078 0.000 0.878 159 N CB 1.289 39.883 38.487 0.178 0.000 1.375 159 N HN 0.613 nan 8.380 nan 0.000 0.514 160 T N 3.228 117.734 114.554 -0.080 0.000 3.172 160 T HA 0.375 4.725 4.350 -0.000 0.000 0.320 160 T C -2.968 171.687 174.700 -0.074 0.000 1.085 160 T CA -0.933 61.048 62.100 -0.199 0.000 1.052 160 T CB 1.501 70.190 68.868 -0.299 0.000 1.107 160 T HN 0.244 nan 8.240 nan 0.000 0.458 161 P HA 0.145 nan 4.420 nan 0.000 0.265 161 P C -0.538 176.669 177.300 -0.154 0.000 1.187 161 P CA -0.066 62.950 63.100 -0.141 0.000 0.766 161 P CB 0.323 31.963 31.700 -0.101 0.000 0.820 162 M N 3.662 123.110 119.600 -0.253 0.000 2.146 162 M HA 0.230 4.710 4.480 -0.000 0.000 0.357 162 M C -0.147 176.036 176.300 -0.195 0.000 1.261 162 M CA -0.386 54.780 55.300 -0.223 0.000 1.106 162 M CB 0.367 32.774 32.600 -0.322 0.000 1.612 162 M HN 0.161 nan 8.290 nan 0.000 0.470 163 N N 6.673 125.293 118.700 -0.134 0.000 2.425 163 N HA 0.426 5.166 4.740 -0.000 0.000 0.268 163 N C -2.332 173.025 175.510 -0.255 0.000 0.991 163 N CA -2.055 50.893 53.050 -0.169 0.000 0.931 163 N CB 1.483 39.945 38.487 -0.042 0.000 1.130 163 N HN 0.417 nan 8.380 nan 0.000 0.493 164 P HA 0.089 nan 4.420 nan 0.000 0.267 164 P C 0.710 177.745 177.300 -0.442 0.000 1.289 164 P CA 0.326 63.053 63.100 -0.622 0.000 0.866 164 P CB 0.190 31.180 31.700 -1.184 0.000 1.309 165 T N -3.764 110.478 114.554 -0.520 0.000 2.867 165 T HA 0.072 4.422 4.350 -0.000 0.000 0.268 165 T C 1.750 176.361 174.700 -0.149 0.000 1.057 165 T CA 1.433 63.219 62.100 -0.523 0.000 1.136 165 T CB -1.297 67.096 68.868 -0.792 0.000 0.874 165 T HN 0.207 nan 8.240 nan 0.000 0.466 166 G N 0.640 109.362 108.800 -0.130 0.000 2.157 166 G HA2 -0.187 3.773 3.960 -0.000 0.000 0.248 166 G HA3 -0.187 3.773 3.960 -0.000 0.000 0.248 166 G C -0.145 174.733 174.900 -0.037 0.000 0.979 166 G CA 0.073 45.156 45.100 -0.027 0.000 0.650 166 G HN 0.708 nan 8.290 nan 0.000 0.529 167 L N 1.086 122.240 121.223 -0.115 0.000 2.426 167 L HA 0.614 4.953 4.340 -0.000 0.000 0.271 167 L C 0.373 177.094 176.870 -0.250 0.000 1.169 167 L CA -0.220 54.547 54.840 -0.121 0.000 0.836 167 L CB 1.590 43.572 42.059 -0.127 0.000 1.112 167 L HN 0.102 nan 8.230 nan 0.000 0.465 168 V N 5.845 125.669 119.914 -0.149 0.000 2.407 168 V HA 0.328 4.448 4.120 -0.000 0.000 0.291 168 V C -0.134 175.939 176.094 -0.035 0.000 1.018 168 V CA -0.657 61.546 62.300 -0.162 0.000 0.842 168 V CB 1.077 32.868 31.823 -0.053 0.000 0.996 168 V HN 0.481 nan 8.190 nan 0.000 0.426 169 F N 3.019 122.967 119.950 -0.003 0.000 2.543 169 F HA 0.426 4.953 4.527 -0.000 0.000 0.375 169 F C 1.430 177.215 175.800 -0.025 0.000 1.075 169 F CA -0.127 57.864 58.000 -0.015 0.000 1.225 169 F CB 0.881 39.866 39.000 -0.024 0.000 1.099 169 F HN 0.618 nan 8.300 nan 0.000 0.561 170 G N 2.474 111.382 108.800 0.180 0.000 2.562 170 G HA2 0.073 4.033 3.960 -0.000 0.000 0.275 170 G HA3 0.073 4.033 3.960 -0.000 0.000 0.275 170 G C 0.593 175.502 174.900 0.014 0.000 1.196 170 G CA -0.426 44.721 45.100 0.078 0.000 0.908 170 G HN 0.804 nan 8.290 nan 0.000 0.524 171 E N -0.213 119.998 120.200 0.018 0.000 2.065 171 E HA -0.222 4.128 4.350 -0.000 0.000 0.201 171 E C 2.560 179.051 176.600 -0.181 0.000 1.016 171 E CA 1.477 57.868 56.400 -0.015 0.000 0.818 171 E CB -0.017 29.751 29.700 0.112 0.000 0.749 171 E HN 0.529 nan 8.360 nan 0.000 0.453 172 R N 0.093 120.536 120.500 -0.094 0.000 2.105 172 R HA -0.179 4.161 4.340 -0.000 0.000 0.239 172 R C 2.350 178.543 176.300 -0.179 0.000 1.135 172 R CA 1.760 57.791 56.100 -0.114 0.000 0.967 172 R CB -0.153 30.115 30.300 -0.054 0.000 0.861 172 R HN 0.230 nan 8.270 nan 0.000 0.442 173 E N -0.063 120.032 120.200 -0.176 0.000 2.046 173 E HA -0.117 4.233 4.350 -0.000 0.000 0.190 173 E C 1.788 178.198 176.600 -0.316 0.000 0.982 173 E CA 0.750 57.008 56.400 -0.237 0.000 0.800 173 E CB 0.091 29.640 29.700 -0.252 0.000 0.756 173 E HN 0.075 nan 8.360 nan 0.000 0.449 174 L N 0.872 121.878 121.223 -0.362 0.000 2.046 174 L HA -0.173 4.167 4.340 -0.000 0.000 0.208 174 L C 2.402 178.868 176.870 -0.674 0.000 1.077 174 L CA 1.737 56.295 54.840 -0.471 0.000 0.747 174 L CB -1.198 40.544 42.059 -0.527 0.000 0.896 174 L HN 0.190 nan 8.230 nan 0.000 0.432 175 E N 0.162 119.834 120.200 -0.879 0.000 2.058 175 E HA -0.205 4.144 4.350 -0.000 0.000 0.194 175 E C 2.237 178.687 176.600 -0.250 0.000 0.997 175 E CA 1.641 57.686 56.400 -0.592 0.000 0.801 175 E CB -0.043 29.451 29.700 -0.344 0.000 0.746 175 E HN 0.362 nan 8.360 nan 0.000 0.450 176 A N 0.593 123.282 122.820 -0.218 0.000 1.902 176 A HA -0.162 4.157 4.320 -0.000 0.000 0.217 176 A C 2.302 179.812 177.584 -0.123 0.000 1.181 176 A CA 1.618 53.573 52.037 -0.136 0.000 0.623 176 A CB -0.709 18.211 19.000 -0.133 0.000 0.818 176 A HN 0.397 nan 8.150 nan 0.000 0.443 177 I N -0.411 120.060 120.570 -0.165 0.000 2.315 177 I HA -0.242 3.928 4.170 -0.000 0.000 0.248 177 I C 2.923 179.000 176.117 -0.067 0.000 1.117 177 I CA 0.946 62.170 61.300 -0.126 0.000 1.404 177 I CB -0.317 37.588 38.000 -0.158 0.000 1.071 177 I HN 0.359 nan 8.210 nan 0.000 0.419 178 A N 0.584 123.365 122.820 -0.065 0.000 1.972 178 A HA -0.216 4.104 4.320 -0.000 0.000 0.219 178 A C 2.446 180.044 177.584 0.025 0.000 1.169 178 A CA 1.406 53.452 52.037 0.015 0.000 0.635 178 A CB -0.561 18.489 19.000 0.085 0.000 0.810 178 A HN 0.307 nan 8.150 nan 0.000 0.446 179 R N -0.562 119.940 120.500 0.003 0.000 2.066 179 R HA -0.003 4.337 4.340 -0.000 0.000 0.232 179 R C 1.992 178.315 176.300 0.039 0.000 1.131 179 R CA 1.336 57.448 56.100 0.019 0.000 0.955 179 R CB -0.334 29.968 30.300 0.003 0.000 0.851 179 R HN 0.538 nan 8.270 nan 0.000 0.432 180 L N 0.023 121.262 121.223 0.027 0.000 2.093 180 L HA -0.118 4.222 4.340 -0.000 0.000 0.208 180 L C 2.648 179.576 176.870 0.096 0.000 1.085 180 L CA 1.153 56.033 54.840 0.067 0.000 0.755 180 L CB -0.480 41.563 42.059 -0.027 0.000 0.904 180 L HN 0.293 nan 8.230 nan 0.000 0.435 181 A N 0.220 123.064 122.820 0.039 0.000 1.883 181 A HA -0.233 4.087 4.320 -0.000 0.000 0.217 181 A C 2.375 179.989 177.584 0.050 0.000 1.186 181 A CA 1.686 53.745 52.037 0.038 0.000 0.624 181 A CB -0.455 18.563 19.000 0.030 0.000 0.822 181 A HN 0.316 nan 8.150 nan 0.000 0.444 182 R N -0.733 119.794 120.500 0.045 0.000 2.066 182 R HA -0.010 4.330 4.340 -0.000 0.000 0.232 182 R C 2.534 178.849 176.300 0.024 0.000 1.131 182 R CA 1.148 57.263 56.100 0.026 0.000 0.955 182 R CB -0.497 29.818 30.300 0.023 0.000 0.851 182 R HN 0.499 nan 8.270 nan 0.000 0.432 183 A N 0.656 123.505 122.820 0.049 0.000 1.948 183 A HA -0.200 4.120 4.320 -0.000 0.000 0.220 183 A C 1.164 178.675 177.584 -0.122 0.000 1.177 183 A CA 1.714 53.739 52.037 -0.020 0.000 0.636 183 A CB -0.507 18.501 19.000 0.013 0.000 0.815 183 A HN 0.396 nan 8.150 nan 0.000 0.449 184 H N -2.039 117.013 119.070 -0.029 0.000 2.594 184 H HA 0.280 4.835 4.556 -0.000 0.000 0.279 184 H C -0.105 175.193 175.328 -0.051 0.000 1.042 184 H CA 0.128 56.156 56.048 -0.033 0.000 1.177 184 H CB 0.209 29.955 29.762 -0.026 0.000 1.524 184 H HN 0.505 nan 8.280 nan 0.000 0.537 185 D N 0.673 121.090 120.400 0.028 0.000 2.697 185 D HA -0.175 4.465 4.640 -0.000 0.000 0.238 185 D C -0.834 175.404 176.300 -0.103 0.000 1.152 185 D CA 0.262 54.230 54.000 -0.054 0.000 0.666 185 D CB -1.132 39.626 40.800 -0.071 0.000 1.037 185 D HN 0.375 nan 8.370 nan 0.000 0.423 186 L N 0.035 121.224 121.223 -0.057 0.000 2.375 186 L HA 0.541 4.881 4.340 -0.000 0.000 0.268 186 L C 0.796 177.623 176.870 -0.072 0.000 1.058 186 L CA -1.024 53.784 54.840 -0.054 0.000 0.803 186 L CB 0.626 42.691 42.059 0.010 0.000 1.212 186 L HN -0.075 nan 8.230 nan 0.000 0.451 187 F N 1.597 121.564 119.950 0.029 0.000 2.385 187 F HA 0.415 4.941 4.527 -0.000 0.000 0.336 187 F C 0.099 175.942 175.800 0.073 0.000 1.100 187 F CA -0.280 57.759 58.000 0.064 0.000 1.116 187 F CB 1.003 40.040 39.000 0.062 0.000 1.166 187 F HN 0.127 nan 8.300 nan 0.000 0.511 188 L N 5.370 126.802 121.223 0.348 0.000 2.305 188 L HA 0.478 4.818 4.340 -0.000 0.000 0.284 188 L C -0.664 176.356 176.870 0.249 0.000 1.013 188 L CA -0.394 54.574 54.840 0.214 0.000 0.819 188 L CB 1.322 43.468 42.059 0.143 0.000 1.227 188 L HN 0.443 nan 8.230 nan 0.000 0.417 189 I N 2.485 123.144 120.570 0.150 0.000 2.328 189 I HA 0.211 4.381 4.170 -0.000 0.000 0.287 189 I C 0.073 176.227 176.117 0.061 0.000 1.012 189 I CA -0.047 61.316 61.300 0.105 0.000 1.195 189 I CB 1.757 39.743 38.000 -0.024 0.000 1.350 189 I HN 0.469 nan 8.210 nan 0.000 0.464 190 S N 5.034 120.791 115.700 0.095 0.000 2.498 190 S HA 0.180 4.650 4.470 -0.000 0.000 0.324 190 S C -0.534 174.100 174.600 0.058 0.000 1.071 190 S CA -0.663 57.587 58.200 0.084 0.000 1.113 190 S CB 0.546 63.819 63.200 0.120 0.000 0.976 190 S HN 0.537 nan 8.310 nan 0.000 0.462 191 D N 4.040 124.460 120.400 0.033 0.000 2.374 191 D HA 0.144 4.784 4.640 -0.000 0.000 0.240 191 D C -0.123 176.174 176.300 -0.006 0.000 1.229 191 D CA 0.004 54.009 54.000 0.008 0.000 0.895 191 D CB 0.550 41.391 40.800 0.068 0.000 1.046 191 D HN 0.638 nan 8.370 nan 0.000 0.498 192 E N 3.000 123.189 120.200 -0.018 0.000 3.388 192 E HA 0.056 4.406 4.350 -0.000 0.000 0.214 192 E C 1.635 178.189 176.600 -0.076 0.000 1.040 192 E CA -0.137 56.263 56.400 -0.001 0.000 1.327 192 E CB 0.874 30.627 29.700 0.088 0.000 1.243 192 E HN 0.380 nan 8.360 nan 0.000 0.444 193 V N -2.002 117.773 119.914 -0.231 0.000 2.594 193 V HA -0.215 3.905 4.120 -0.000 0.000 0.253 193 V C 1.116 176.917 176.094 -0.488 0.000 1.069 193 V CA 1.275 63.321 62.300 -0.422 0.000 1.082 193 V CB -0.772 30.677 31.823 -0.624 0.000 0.680 193 V HN 0.335 nan 8.190 nan 0.000 0.469 194 Y N 2.376 122.563 120.300 -0.188 0.000 2.645 194 Y HA 0.243 4.792 4.550 -0.000 0.000 0.307 194 Y C 1.762 177.582 175.900 -0.134 0.000 1.151 194 Y CA -0.449 57.517 58.100 -0.222 0.000 1.291 194 Y CB -0.611 37.667 38.460 -0.303 0.000 1.135 194 Y HN 0.488 nan 8.280 nan 0.000 0.523 195 D N -0.578 119.831 120.400 0.014 0.000 2.265 195 D HA -0.196 4.444 4.640 -0.000 0.000 0.208 195 D C 0.989 177.334 176.300 0.076 0.000 0.977 195 D CA 1.298 55.326 54.000 0.048 0.000 0.871 195 D CB 0.070 40.907 40.800 0.062 0.000 0.925 195 D HN 0.258 nan 8.370 nan 0.000 0.485 196 E N -0.754 119.426 120.200 -0.034 0.000 2.476 196 E HA 0.135 4.485 4.350 -0.000 0.000 0.196 196 E C -0.051 176.415 176.600 -0.223 0.000 1.029 196 E CA -0.260 56.063 56.400 -0.128 0.000 0.896 196 E CB 0.558 29.956 29.700 -0.504 0.000 1.012 196 E HN 0.211 nan 8.360 nan 0.000 0.475 197 L N 2.012 123.141 121.223 -0.156 0.000 2.435 197 L HA 0.227 4.567 4.340 -0.000 0.000 0.253 197 L C -1.274 175.313 176.870 -0.471 0.000 1.087 197 L CA -0.897 53.727 54.840 -0.360 0.000 0.950 197 L CB -0.213 41.675 42.059 -0.285 0.000 1.304 197 L HN -0.111 nan 8.230 nan 0.000 0.453 198 Y N 0.491 120.490 120.300 -0.501 0.000 2.576 198 Y HA 0.576 5.126 4.550 -0.000 0.000 0.346 198 Y C -0.607 174.930 175.900 -0.606 0.000 1.018 198 Y CA -1.136 56.641 58.100 -0.538 0.000 1.050 198 Y CB 0.834 39.154 38.460 -0.233 0.000 1.280 198 Y HN 0.216 nan 8.280 nan 0.000 0.474 199 Y N 0.857 121.254 120.300 0.162 0.000 2.467 199 Y HA 0.497 5.047 4.550 -0.000 0.000 0.250 199 Y C 1.168 177.158 175.900 0.149 0.000 1.155 199 Y CA -0.274 57.886 58.100 0.100 0.000 1.249 199 Y CB 0.708 39.211 38.460 0.071 0.000 1.146 199 Y HN 0.939 nan 8.280 nan 0.000 0.524 200 G N -0.418 108.571 108.800 0.314 0.000 3.310 200 G HA2 0.280 4.240 3.960 -0.000 0.000 0.176 200 G HA3 0.280 4.240 3.960 -0.000 0.000 0.176 200 G C -0.879 174.157 174.900 0.225 0.000 1.307 200 G CA -0.395 44.840 45.100 0.224 0.000 0.935 200 G HN -0.015 nan 8.290 nan 0.000 0.628 201 E N 0.090 120.352 120.200 0.104 0.000 2.366 201 E HA 0.333 4.683 4.350 -0.000 0.000 0.266 201 E C 0.518 177.026 176.600 -0.154 0.000 1.051 201 E CA -0.373 56.047 56.400 0.033 0.000 0.884 201 E CB 0.729 30.433 29.700 0.007 0.000 1.006 201 E HN 0.329 nan 8.360 nan 0.000 0.417 202 R N 4.578 124.942 120.500 -0.227 0.000 2.458 202 R HA 0.092 4.432 4.340 -0.000 0.000 0.303 202 R C -1.878 174.148 176.300 -0.456 0.000 1.013 202 R CA -1.135 54.565 56.100 -0.668 0.000 1.026 202 R CB 0.158 30.287 30.300 -0.285 0.000 0.948 202 R HN 0.409 nan 8.270 nan 0.000 0.417 203 P HA 0.105 nan 4.420 nan 0.000 0.274 203 P C -0.914 176.309 177.300 -0.128 0.000 1.237 203 P CA -0.191 62.766 63.100 -0.239 0.000 0.793 203 P CB 0.822 32.393 31.700 -0.215 0.000 0.977 204 R N 1.537 122.037 120.500 -0.001 0.000 2.457 204 R HA 0.357 4.697 4.340 -0.000 0.000 0.284 204 R C 0.688 177.070 176.300 0.136 0.000 1.024 204 R CA -0.651 55.495 56.100 0.075 0.000 1.025 204 R CB 1.153 31.567 30.300 0.191 0.000 1.063 204 R HN 0.533 nan 8.270 nan 0.000 0.493 205 R N 1.295 121.871 120.500 0.127 0.000 2.500 205 R HA 0.089 4.429 4.340 -0.000 0.000 0.275 205 R C 1.390 177.855 176.300 0.276 0.000 1.051 205 R CA -0.570 55.630 56.100 0.166 0.000 1.088 205 R CB 0.619 31.003 30.300 0.138 0.000 1.063 205 R HN 0.349 nan 8.270 nan 0.000 0.511 206 L N 3.436 124.814 121.223 0.258 0.000 2.131 206 L HA -0.152 4.188 4.340 -0.000 0.000 0.210 206 L C 2.254 179.290 176.870 0.277 0.000 1.092 206 L CA 1.741 56.757 54.840 0.293 0.000 0.759 206 L CB -0.410 41.762 42.059 0.188 0.000 0.903 206 L HN 0.594 nan 8.230 nan 0.000 0.435 207 R N -0.861 119.751 120.500 0.186 0.000 2.237 207 R HA -0.124 4.215 4.340 -0.000 0.000 0.219 207 R C 1.545 177.884 176.300 0.065 0.000 1.080 207 R CA 1.388 57.559 56.100 0.119 0.000 0.995 207 R CB -0.721 29.643 30.300 0.106 0.000 0.875 207 R HN 0.497 nan 8.270 nan 0.000 0.462 208 E N 0.427 120.639 120.200 0.021 0.000 2.152 208 E HA -0.080 4.270 4.350 -0.000 0.000 0.192 208 E C 1.212 177.631 176.600 -0.303 0.000 0.983 208 E CA 1.009 57.291 56.400 -0.196 0.000 0.818 208 E CB -0.079 29.390 29.700 -0.384 0.000 0.758 208 E HN 0.403 nan 8.360 nan 0.000 0.467 209 F N 0.219 120.181 119.950 0.019 0.000 2.473 209 F HA 0.195 4.722 4.527 -0.000 0.000 0.294 209 F C 1.246 177.052 175.800 0.011 0.000 1.103 209 F CA 0.351 58.359 58.000 0.013 0.000 1.442 209 F CB 0.519 39.527 39.000 0.013 0.000 1.097 209 F HN -0.139 nan 8.300 nan 0.000 0.547 210 A N 0.351 123.278 122.820 0.179 0.000 3.410 210 A HA 0.363 4.683 4.320 -0.000 0.000 0.276 210 A C -1.804 175.816 177.584 0.059 0.000 0.995 210 A CA -0.810 51.288 52.037 0.103 0.000 0.934 210 A CB -0.343 18.720 19.000 0.105 0.000 1.191 210 A HN -0.053 nan 8.150 nan 0.000 0.511 211 P HA -0.222 nan 4.420 nan 0.000 0.218 211 P C 1.083 178.374 177.300 -0.014 0.000 1.148 211 P CA 1.550 64.652 63.100 0.003 0.000 0.822 211 P CB 0.249 31.944 31.700 -0.008 0.000 0.784 212 E N 1.760 121.962 120.200 0.003 0.000 2.347 212 E HA -0.171 4.179 4.350 -0.000 0.000 0.196 212 E C 1.488 178.125 176.600 0.061 0.000 1.008 212 E CA 0.827 57.236 56.400 0.015 0.000 0.852 212 E CB -0.486 29.224 29.700 0.017 0.000 0.783 212 E HN 0.445 nan 8.360 nan 0.000 0.505 213 R N -0.301 120.223 120.500 0.039 0.000 2.566 213 R HA 0.299 4.639 4.340 -0.000 0.000 0.388 213 R C -0.354 175.973 176.300 0.046 0.000 0.989 213 R CA -0.337 55.817 56.100 0.089 0.000 1.164 213 R CB 0.138 30.468 30.300 0.050 0.000 1.459 213 R HN -0.161 nan 8.270 nan 0.000 0.553 214 T N 1.446 115.949 114.554 -0.085 0.000 2.824 214 T HA 0.483 4.832 4.350 -0.000 0.000 0.280 214 T C -1.119 173.418 174.700 -0.270 0.000 0.995 214 T CA -0.177 61.884 62.100 -0.066 0.000 1.009 214 T CB 1.000 69.888 68.868 0.032 0.000 0.955 214 T HN 0.052 nan 8.240 nan 0.000 0.452 215 F N 1.883 121.875 119.950 0.071 0.000 2.402 215 F HA 0.370 4.897 4.527 -0.000 0.000 0.355 215 F C 0.868 176.680 175.800 0.020 0.000 1.123 215 F CA -0.815 57.200 58.000 0.024 0.000 1.021 215 F CB 1.466 40.446 39.000 -0.033 0.000 1.160 215 F HN 0.368 nan 8.300 nan 0.000 0.451 216 T N 3.735 118.381 114.554 0.153 0.000 2.767 216 T HA 0.488 4.838 4.350 -0.000 0.000 0.284 216 T C -0.226 174.532 174.700 0.097 0.000 0.973 216 T CA -0.536 61.639 62.100 0.125 0.000 0.996 216 T CB 1.281 70.230 68.868 0.136 0.000 0.927 216 T HN 0.180 nan 8.240 nan 0.000 0.456 217 V N 3.038 122.981 119.914 0.049 0.000 2.427 217 V HA 0.804 4.923 4.120 -0.000 0.000 0.286 217 V C 0.710 176.681 176.094 -0.206 0.000 1.034 217 V CA -0.425 61.825 62.300 -0.083 0.000 0.893 217 V CB 1.612 33.379 31.823 -0.093 0.000 0.982 217 V HN 1.046 nan 8.190 nan 0.000 0.452 218 G N 2.210 110.609 108.800 -0.668 0.000 2.658 218 G HA2 0.672 4.632 3.960 -0.000 0.000 0.292 218 G HA3 0.672 4.632 3.960 -0.000 0.000 0.292 218 G C -1.173 172.818 174.900 -1.516 0.000 1.320 218 G CA -0.593 43.891 45.100 -1.027 0.000 0.933 218 G HN 0.733 nan 8.290 nan 0.000 0.476 219 S N -1.301 113.672 115.700 -1.211 0.000 2.614 219 S HA 0.552 5.022 4.470 -0.000 0.000 0.275 219 S C 0.918 175.273 174.600 -0.408 0.000 1.161 219 S CA 0.408 58.131 58.200 -0.795 0.000 0.969 219 S CB 1.452 64.371 63.200 -0.468 0.000 1.059 219 S HN 1.432 nan 8.310 nan 0.000 0.482 220 A N 4.040 126.786 122.820 -0.124 0.000 1.969 220 A HA 0.195 4.515 4.320 -0.000 0.000 0.218 220 A C 2.011 179.644 177.584 0.082 0.000 1.169 220 A CA 1.754 53.919 52.037 0.213 0.000 0.635 220 A CB -1.240 17.953 19.000 0.321 0.000 0.810 220 A HN 1.139 nan 8.150 nan 0.000 0.445 221 G N -0.482 108.311 108.800 -0.011 0.000 2.432 221 G HA2 -0.162 3.798 3.960 -0.000 0.000 0.219 221 G HA3 -0.162 3.798 3.960 -0.000 0.000 0.219 221 G C 1.508 176.395 174.900 -0.022 0.000 1.135 221 G CA 0.862 45.938 45.100 -0.040 0.000 0.767 221 G HN 0.385 nan 8.290 nan 0.000 0.550 222 K N -0.083 120.259 120.400 -0.097 0.000 2.400 222 K HA 0.201 4.521 4.320 -0.000 0.000 0.194 222 K C 2.377 178.955 176.600 -0.038 0.000 1.033 222 K CA -0.086 56.105 56.287 -0.160 0.000 1.021 222 K CB 0.134 32.304 32.500 -0.550 0.000 0.808 222 K HN 0.136 nan 8.250 nan 0.000 0.505 223 R N 0.301 120.848 120.500 0.078 0.000 2.075 223 R HA 0.179 4.519 4.340 -0.000 0.000 0.220 223 R C 1.510 178.069 176.300 0.431 0.000 1.118 223 R CA 0.692 56.954 56.100 0.271 0.000 0.986 223 R CB 0.002 30.538 30.300 0.393 0.000 0.884 223 R HN 0.102 nan 8.270 nan 0.000 0.439 224 L N 1.882 123.276 121.223 0.285 0.000 3.062 224 L HA 0.215 4.555 4.340 -0.000 0.000 0.255 224 L C -0.403 176.521 176.870 0.089 0.000 1.274 224 L CA -0.163 54.801 54.840 0.206 0.000 1.047 224 L CB 0.265 42.352 42.059 0.048 0.000 1.402 224 L HN 0.041 nan 8.230 nan 0.000 0.550 225 E N 0.355 120.649 120.200 0.157 0.000 2.360 225 E HA -0.245 4.105 4.350 -0.000 0.000 0.238 225 E C 0.326 176.888 176.600 -0.063 0.000 1.186 225 E CA 0.831 57.293 56.400 0.104 0.000 0.719 225 E CB -1.146 28.641 29.700 0.145 0.000 1.236 225 E HN 0.552 nan 8.360 nan 0.000 0.386 226 A N 0.188 122.913 122.820 -0.158 0.000 3.453 226 A HA 0.338 4.658 4.320 -0.000 0.000 0.262 226 A C 1.253 178.670 177.584 -0.277 0.000 1.026 226 A CA 0.236 52.014 52.037 -0.431 0.000 0.938 226 A CB 0.086 18.472 19.000 -1.024 0.000 1.246 226 A HN 0.227 nan 8.150 nan 0.000 0.546 227 T N -2.785 111.723 114.554 -0.076 0.000 2.897 227 T HA -0.078 4.272 4.350 -0.000 0.000 0.271 227 T C 1.487 176.197 174.700 0.017 0.000 1.084 227 T CA 1.938 64.040 62.100 0.002 0.000 1.123 227 T CB -0.130 68.792 68.868 0.090 0.000 0.865 227 T HN 0.793 nan 8.240 nan 0.000 0.496 228 G N -1.075 107.740 108.800 0.025 0.000 3.141 228 G HA2 0.189 4.149 3.960 -0.000 0.000 0.218 228 G HA3 0.189 4.149 3.960 -0.000 0.000 0.218 228 G C 0.726 175.795 174.900 0.282 0.000 1.170 228 G CA -0.310 44.856 45.100 0.111 0.000 0.769 228 G HN 0.438 nan 8.290 nan 0.000 0.546 229 Y N 0.735 121.041 120.300 0.010 0.000 2.475 229 Y HA 0.119 4.669 4.550 -0.000 0.000 0.289 229 Y C 1.118 177.030 175.900 0.019 0.000 1.121 229 Y CA -0.272 57.839 58.100 0.017 0.000 1.257 229 Y CB 0.270 38.748 38.460 0.028 0.000 1.026 229 Y HN 0.118 nan 8.280 nan 0.000 0.555 230 R N -0.567 120.034 120.500 0.169 0.000 3.209 230 R HA -0.119 4.221 4.340 -0.000 0.000 0.252 230 R C -1.336 175.018 176.300 0.090 0.000 0.958 230 R CA 0.164 56.318 56.100 0.091 0.000 0.651 230 R CB -2.935 27.406 30.300 0.067 0.000 1.142 230 R HN 0.042 nan 8.270 nan 0.000 0.441 231 V N -0.471 119.505 119.914 0.103 0.000 2.525 231 V HA 0.875 4.995 4.120 -0.000 0.000 0.299 231 V C 0.878 177.010 176.094 0.064 0.000 1.034 231 V CA -0.003 62.372 62.300 0.125 0.000 0.863 231 V CB 2.271 34.216 31.823 0.203 0.000 0.999 231 V HN 0.612 nan 8.190 nan 0.000 0.423 232 G N 3.351 112.171 108.800 0.033 0.000 2.866 232 G HA2 0.863 4.823 3.960 -0.000 0.000 0.289 232 G HA3 0.863 4.823 3.960 -0.000 0.000 0.289 232 G C -1.940 172.975 174.900 0.024 0.000 1.396 232 G CA -0.538 44.442 45.100 -0.201 0.000 0.848 232 G HN 0.997 nan 8.290 nan 0.000 0.515 233 W N -1.506 119.791 121.300 -0.005 0.000 3.066 233 W HA 0.776 5.436 4.660 -0.000 0.000 0.330 233 W C -1.871 174.615 176.519 -0.054 0.000 1.253 233 W CA -1.430 55.896 57.345 -0.031 0.000 1.187 233 W CB 0.816 30.253 29.460 -0.039 0.000 1.434 233 W HN 0.471 nan 8.180 nan 0.000 0.572 234 I N 2.369 123.075 120.570 0.227 0.000 2.466 234 I HA 0.510 4.680 4.170 -0.000 0.000 0.289 234 I C -0.888 175.301 176.117 0.120 0.000 1.026 234 I CA -1.394 59.994 61.300 0.146 0.000 1.078 234 I CB 1.992 40.054 38.000 0.103 0.000 1.249 234 I HN 0.289 nan 8.210 nan 0.000 0.429 235 V N 5.159 125.095 119.914 0.037 0.000 2.378 235 V HA 0.866 4.986 4.120 -0.000 0.000 0.288 235 V C 0.300 176.375 176.094 -0.032 0.000 1.016 235 V CA -0.243 61.983 62.300 -0.123 0.000 0.840 235 V CB 1.212 32.718 31.823 -0.530 0.000 0.994 235 V HN 0.969 nan 8.190 nan 0.000 0.431 236 G N 4.941 113.733 108.800 -0.012 0.000 2.721 236 G HA2 0.680 4.640 3.960 -0.000 0.000 0.296 236 G HA3 0.680 4.640 3.960 -0.000 0.000 0.296 236 G C -3.280 171.556 174.900 -0.106 0.000 1.383 236 G CA -1.267 43.748 45.100 -0.140 0.000 0.788 236 G HN 0.435 nan 8.290 nan 0.000 0.500 237 P HA 0.035 nan 4.420 nan 0.000 0.261 237 P C 0.743 178.021 177.300 -0.037 0.000 1.183 237 P CA 0.117 63.171 63.100 -0.076 0.000 0.761 237 P CB 1.087 32.764 31.700 -0.040 0.000 0.785 238 K N 4.114 124.476 120.400 -0.064 0.000 2.160 238 K HA -0.212 4.108 4.320 -0.000 0.000 0.206 238 K C 1.481 178.030 176.600 -0.084 0.000 1.047 238 K CA 1.789 58.046 56.287 -0.050 0.000 0.930 238 K CB -0.480 31.988 32.500 -0.054 0.000 0.720 238 K HN 0.516 nan 8.250 nan 0.000 0.450 239 E N 0.654 120.721 120.200 -0.221 0.000 2.160 239 E HA -0.182 4.167 4.350 -0.000 0.000 0.195 239 E C 1.305 177.759 176.600 -0.244 0.000 0.991 239 E CA 1.050 57.261 56.400 -0.316 0.000 0.810 239 E CB -0.354 29.019 29.700 -0.545 0.000 0.742 239 E HN 0.415 nan 8.360 nan 0.000 0.466 240 F N 0.407 120.417 119.950 0.100 0.000 2.698 240 F HA 0.190 4.717 4.527 -0.000 0.000 0.295 240 F C 2.082 177.947 175.800 0.109 0.000 1.124 240 F CA 0.174 58.257 58.000 0.138 0.000 1.426 240 F CB -0.146 39.021 39.000 0.278 0.000 1.120 240 F HN -0.073 nan 8.300 nan 0.000 0.583 241 M N 0.371 120.118 119.600 0.244 0.000 2.149 241 M HA -0.101 4.379 4.480 -0.000 0.000 0.261 241 M C -0.570 175.773 176.300 0.072 0.000 1.064 241 M CA 1.468 56.859 55.300 0.152 0.000 1.102 241 M CB -2.488 30.169 32.600 0.095 0.000 1.369 241 M HN -0.032 nan 8.290 nan 0.000 0.408 242 P HA -0.107 nan 4.420 nan 0.000 0.218 242 P C 1.644 178.949 177.300 0.009 0.000 1.149 242 P CA 1.073 64.181 63.100 0.014 0.000 0.817 242 P CB -0.057 31.651 31.700 0.013 0.000 0.785 243 R N -0.568 119.961 120.500 0.048 0.000 2.066 243 R HA 0.008 4.348 4.340 -0.000 0.000 0.232 243 R C 2.332 178.624 176.300 -0.015 0.000 1.131 243 R CA 1.085 57.204 56.100 0.033 0.000 0.955 243 R CB -1.601 28.742 30.300 0.072 0.000 0.851 243 R HN 0.298 nan 8.270 nan 0.000 0.432 244 L N 0.299 121.513 121.223 -0.016 0.000 2.012 244 L HA -0.173 4.167 4.340 -0.000 0.000 0.210 244 L C 2.599 179.423 176.870 -0.078 0.000 1.073 244 L CA 1.541 56.343 54.840 -0.063 0.000 0.748 244 L CB -0.707 41.319 42.059 -0.054 0.000 0.891 244 L HN 0.162 nan 8.230 nan 0.000 0.431 245 A N 0.231 123.006 122.820 -0.075 0.000 1.972 245 A HA -0.127 4.193 4.320 -0.000 0.000 0.219 245 A C 2.388 179.847 177.584 -0.208 0.000 1.169 245 A CA 1.691 53.651 52.037 -0.129 0.000 0.635 245 A CB -1.141 17.791 19.000 -0.115 0.000 0.810 245 A HN 0.468 nan 8.150 nan 0.000 0.446 246 G N -0.992 107.703 108.800 -0.174 0.000 2.408 246 G HA2 -0.167 3.793 3.960 -0.000 0.000 0.217 246 G HA3 -0.167 3.793 3.960 -0.000 0.000 0.217 246 G C 1.509 176.205 174.900 -0.341 0.000 1.150 246 G CA 1.189 46.140 45.100 -0.248 0.000 0.776 246 G HN 0.346 nan 8.290 nan 0.000 0.542 247 M N 1.093 120.604 119.600 -0.148 0.000 2.099 247 M HA -0.002 4.478 4.480 -0.000 0.000 0.262 247 M C 2.592 178.848 176.300 -0.073 0.000 1.067 247 M CA 1.389 56.664 55.300 -0.042 0.000 1.124 247 M CB -0.835 31.763 32.600 -0.002 0.000 1.353 247 M HN 0.368 nan 8.290 nan 0.000 0.410 248 R N 0.431 120.865 120.500 -0.109 0.000 2.237 248 R HA -0.096 4.244 4.340 -0.000 0.000 0.219 248 R C 1.779 177.993 176.300 -0.145 0.000 1.080 248 R CA 1.241 57.298 56.100 -0.072 0.000 0.995 248 R CB -1.129 29.129 30.300 -0.070 0.000 0.875 248 R HN 0.505 nan 8.270 nan 0.000 0.462 249 Q N 0.127 119.714 119.800 -0.356 0.000 2.167 249 Q HA -0.120 4.220 4.340 -0.000 0.000 0.202 249 Q C 0.977 176.823 176.000 -0.257 0.000 0.970 249 Q CA 1.712 57.210 55.803 -0.509 0.000 0.855 249 Q CB -0.108 28.082 28.738 -0.913 0.000 0.911 249 Q HN 0.684 nan 8.270 nan 0.000 0.438 250 W N -0.412 120.941 121.300 0.088 0.000 2.640 250 W HA 0.002 4.662 4.660 0.000 0.000 0.268 250 W C 2.388 178.958 176.519 0.084 0.000 1.263 250 W CA 0.642 58.041 57.345 0.090 0.000 1.344 250 W CB 0.109 29.607 29.460 0.062 0.000 1.093 250 W HN 0.227 nan 8.180 nan 0.000 0.603 251 T N -2.310 112.394 114.554 0.251 0.000 2.770 251 T HA -0.105 4.245 4.350 -0.000 0.000 0.258 251 T C 1.625 176.400 174.700 0.125 0.000 1.039 251 T CA 1.564 63.761 62.100 0.162 0.000 1.143 251 T CB -0.651 68.290 68.868 0.122 0.000 0.866 251 T HN 0.051 nan 8.240 nan 0.000 0.428 252 S N -1.293 114.481 115.700 0.122 0.000 2.817 252 S HA 0.380 4.850 4.470 -0.000 0.000 0.262 252 S C 0.810 175.551 174.600 0.235 0.000 1.051 252 S CA 0.206 58.490 58.200 0.140 0.000 1.185 252 S CB -0.233 63.019 63.200 0.087 0.000 1.152 252 S HN 0.432 nan 8.310 nan 0.000 0.653 253 F N 1.347 121.294 119.950 -0.005 0.000 2.547 253 F HA -0.281 4.246 4.527 -0.000 0.000 0.714 253 F C 0.083 175.853 175.800 -0.050 0.000 0.486 253 F CA 1.722 59.687 58.000 -0.059 0.000 0.738 253 F CB -1.479 37.502 39.000 -0.033 0.000 1.612 253 F HN 0.620 nan 8.300 nan 0.000 0.270 254 S N -0.275 115.456 115.700 0.051 0.000 2.570 254 S HA 0.801 5.271 4.470 -0.000 0.000 0.270 254 S C -0.755 173.894 174.600 0.082 0.000 1.149 254 S CA -0.316 57.860 58.200 -0.039 0.000 0.837 254 S CB 1.373 64.538 63.200 -0.057 0.000 1.124 254 S HN 1.204 nan 8.310 nan 0.000 0.465 255 A N 2.894 125.741 122.820 0.046 0.000 2.332 255 A HA 0.679 4.999 4.320 -0.000 0.000 0.258 255 A C -2.632 174.994 177.584 0.070 0.000 1.087 255 A CA -1.365 50.710 52.037 0.062 0.000 0.802 255 A CB -0.688 18.348 19.000 0.060 0.000 1.042 255 A HN 0.602 nan 8.150 nan 0.000 0.489 256 P HA 0.020 nan 4.420 nan 0.000 0.256 256 P C 0.757 178.069 177.300 0.020 0.000 1.173 256 P CA 0.568 63.684 63.100 0.026 0.000 0.768 256 P CB 0.269 31.964 31.700 -0.007 0.000 0.758 257 T N 6.196 120.763 114.554 0.022 0.000 2.622 257 T HA -0.104 4.246 4.350 -0.000 0.000 0.266 257 T C -0.618 174.082 174.700 -0.000 0.000 1.047 257 T CA 1.975 64.087 62.100 0.021 0.000 1.159 257 T CB -1.725 67.157 68.868 0.023 0.000 0.863 257 T HN 0.508 nan 8.240 nan 0.000 0.422 258 P HA -0.001 nan 4.420 nan 0.000 0.218 258 P C 1.371 178.640 177.300 -0.052 0.000 1.149 258 P CA 0.840 63.916 63.100 -0.039 0.000 0.817 258 P CB -0.107 31.557 31.700 -0.060 0.000 0.785 259 L N -0.029 121.148 121.223 -0.077 0.000 2.109 259 L HA -0.048 4.292 4.340 -0.000 0.000 0.207 259 L C 2.885 179.774 176.870 0.032 0.000 1.086 259 L CA 1.674 56.462 54.840 -0.088 0.000 0.760 259 L CB -1.768 40.198 42.059 -0.154 0.000 0.910 259 L HN -0.033 nan 8.230 nan 0.000 0.437 260 Q N -1.053 118.773 119.800 0.043 0.000 2.084 260 Q HA -0.191 4.149 4.340 -0.000 0.000 0.202 260 Q C 2.304 178.341 176.000 0.063 0.000 0.978 260 Q CA 1.662 57.509 55.803 0.074 0.000 0.844 260 Q CB -0.217 28.558 28.738 0.062 0.000 0.898 260 Q HN 0.556 nan 8.270 nan 0.000 0.426 261 A N 0.794 123.637 122.820 0.039 0.000 1.877 261 A HA -0.122 4.198 4.320 -0.000 0.000 0.216 261 A C 2.280 179.890 177.584 0.044 0.000 1.186 261 A CA 1.718 53.775 52.037 0.033 0.000 0.620 261 A CB -1.190 17.821 19.000 0.018 0.000 0.822 261 A HN 0.492 nan 8.150 nan 0.000 0.443 262 G N -0.721 108.105 108.800 0.045 0.000 2.418 262 G HA2 -0.095 3.865 3.960 -0.000 0.000 0.217 262 G HA3 -0.095 3.865 3.960 -0.000 0.000 0.217 262 G C 1.493 176.454 174.900 0.103 0.000 1.158 262 G CA 1.194 46.333 45.100 0.065 0.000 0.771 262 G HN 0.318 nan 8.290 nan 0.000 0.545 263 V N 1.512 121.502 119.914 0.127 0.000 2.407 263 V HA -0.115 4.005 4.120 -0.000 0.000 0.248 263 V C 3.300 179.468 176.094 0.122 0.000 1.055 263 V CA 1.845 64.240 62.300 0.159 0.000 1.049 263 V CB -0.731 31.216 31.823 0.207 0.000 0.662 263 V HN 0.484 nan 8.190 nan 0.000 0.455 264 A N -0.106 122.766 122.820 0.086 0.000 1.865 264 A HA -0.280 4.040 4.320 -0.000 0.000 0.217 264 A C 2.186 179.798 177.584 0.047 0.000 1.191 264 A CA 2.126 54.194 52.037 0.051 0.000 0.623 264 A CB -0.510 18.511 19.000 0.035 0.000 0.826 264 A HN 0.624 nan 8.150 nan 0.000 0.444 265 E N -0.423 119.809 120.200 0.053 0.000 2.077 265 E HA -0.101 4.249 4.350 -0.000 0.000 0.193 265 E C 2.359 178.995 176.600 0.061 0.000 0.989 265 E CA 0.889 57.316 56.400 0.044 0.000 0.800 265 E CB -0.323 29.406 29.700 0.049 0.000 0.746 265 E HN 0.613 nan 8.360 nan 0.000 0.452 266 A N 1.449 124.346 122.820 0.127 0.000 1.908 266 A HA -0.181 4.139 4.320 -0.000 0.000 0.218 266 A C 2.221 179.895 177.584 0.150 0.000 1.181 266 A CA 1.132 53.308 52.037 0.232 0.000 0.627 266 A CB -0.696 18.453 19.000 0.248 0.000 0.818 266 A HN 0.136 nan 8.150 nan 0.000 0.445 267 L N -0.905 120.390 121.223 0.119 0.000 2.083 267 L HA -0.199 4.141 4.340 -0.000 0.000 0.209 267 L C 2.534 179.429 176.870 0.042 0.000 1.083 267 L CA 1.307 56.216 54.840 0.115 0.000 0.752 267 L CB -0.403 41.705 42.059 0.082 0.000 0.899 267 L HN 0.244 nan 8.230 nan 0.000 0.433 268 K N -0.300 120.099 120.400 -0.003 0.000 2.031 268 K HA -0.053 4.267 4.320 -0.000 0.000 0.205 268 K C 2.066 178.598 176.600 -0.114 0.000 1.049 268 K CA 0.900 57.164 56.287 -0.039 0.000 0.939 268 K CB -0.566 31.914 32.500 -0.033 0.000 0.717 268 K HN 0.105 nan 8.250 nan 0.000 0.438 269 L N 1.281 122.391 121.223 -0.189 0.000 2.042 269 L HA -0.100 4.239 4.340 -0.000 0.000 0.210 269 L C 2.422 178.962 176.870 -0.550 0.000 1.076 269 L CA 1.791 56.399 54.840 -0.386 0.000 0.749 269 L CB -1.670 40.062 42.059 -0.545 0.000 0.893 269 L HN 0.120 nan 8.230 nan 0.000 0.432 270 A N -0.834 121.656 122.820 -0.551 0.000 1.908 270 A HA -0.214 4.106 4.320 -0.000 0.000 0.218 270 A C 2.400 179.816 177.584 -0.281 0.000 1.181 270 A CA 1.312 53.056 52.037 -0.489 0.000 0.627 270 A CB -0.360 18.400 19.000 -0.400 0.000 0.818 270 A HN 0.267 nan 8.150 nan 0.000 0.445 271 R N -0.155 120.273 120.500 -0.120 0.000 2.081 271 R HA -0.123 4.217 4.340 -0.000 0.000 0.235 271 R C 2.230 178.516 176.300 -0.024 0.000 1.131 271 R CA 1.740 57.851 56.100 0.018 0.000 0.960 271 R CB -0.547 29.786 30.300 0.054 0.000 0.856 271 R HN 0.847 nan 8.270 nan 0.000 0.436 272 R N 0.523 120.973 120.500 -0.083 0.000 2.297 272 R HA 0.086 4.426 4.340 -0.000 0.000 0.197 272 R C 0.582 176.831 176.300 -0.085 0.000 0.943 272 R CA 0.638 56.695 56.100 -0.072 0.000 1.038 272 R CB 0.165 30.420 30.300 -0.076 0.000 0.957 272 R HN 0.159 nan 8.270 nan 0.000 0.484 273 E N 0.741 120.864 120.200 -0.129 0.000 2.501 273 E HA 0.138 4.488 4.350 -0.000 0.000 0.200 273 E C 0.108 176.691 176.600 -0.028 0.000 1.016 273 E CA 0.141 56.480 56.400 -0.102 0.000 0.921 273 E CB 1.083 30.668 29.700 -0.190 0.000 1.034 273 E HN 0.560 nan 8.360 nan 0.000 0.468 274 G N 1.899 110.692 108.800 -0.010 0.000 2.273 274 G HA2 -0.338 3.622 3.960 -0.000 0.000 0.280 274 G HA3 -0.338 3.622 3.960 -0.000 0.000 0.280 274 G C 0.364 175.293 174.900 0.048 0.000 1.047 274 G CA 0.574 45.691 45.100 0.028 0.000 0.869 274 G HN 0.440 nan 8.290 nan 0.000 0.502 275 F N 0.007 119.882 119.950 -0.124 0.000 2.113 275 F HA 0.034 4.561 4.527 -0.000 0.000 0.297 275 F C 2.474 178.262 175.800 -0.021 0.000 1.103 275 F CA 1.986 59.934 58.000 -0.086 0.000 1.248 275 F CB -0.273 38.649 39.000 -0.130 0.000 0.999 275 F HN 0.330 nan 8.300 nan 0.000 0.475 276 Y N 0.250 120.552 120.300 0.004 0.000 2.274 276 Y HA -0.232 4.318 4.550 -0.000 0.000 0.290 276 Y C 2.655 178.455 175.900 -0.166 0.000 1.145 276 Y CA 1.335 59.369 58.100 -0.109 0.000 1.203 276 Y CB -0.527 37.956 38.460 0.040 0.000 0.984 276 Y HN 0.212 nan 8.280 nan 0.000 0.533 277 E N 0.466 120.694 120.200 0.047 0.000 2.072 277 E HA -0.208 4.142 4.350 -0.000 0.000 0.191 277 E C 2.330 178.904 176.600 -0.043 0.000 0.985 277 E CA 0.931 57.333 56.400 0.002 0.000 0.801 277 E CB -0.139 29.579 29.700 0.030 0.000 0.750 277 E HN 0.423 nan 8.360 nan 0.000 0.452 278 A N 0.812 123.580 122.820 -0.087 0.000 1.930 278 A HA -0.123 4.197 4.320 -0.000 0.000 0.217 278 A C 2.071 179.575 177.584 -0.133 0.000 1.175 278 A CA 0.838 52.819 52.037 -0.095 0.000 0.627 278 A CB -0.487 18.463 19.000 -0.083 0.000 0.815 278 A HN 0.338 nan 8.150 nan 0.000 0.443 279 L N -0.094 120.975 121.223 -0.257 0.000 2.017 279 L HA -0.112 4.228 4.340 -0.000 0.000 0.208 279 L C 2.501 179.442 176.870 0.118 0.000 1.073 279 L CA 1.822 56.570 54.840 -0.152 0.000 0.745 279 L CB -0.530 41.365 42.059 -0.273 0.000 0.894 279 L HN 0.328 nan 8.230 nan 0.000 0.432 280 R N -0.817 119.714 120.500 0.053 0.000 2.105 280 R HA -0.220 4.120 4.340 -0.000 0.000 0.239 280 R C 2.193 178.611 176.300 0.196 0.000 1.135 280 R CA 1.541 57.697 56.100 0.093 0.000 0.967 280 R CB -0.275 29.945 30.300 -0.133 0.000 0.861 280 R HN 0.339 nan 8.270 nan 0.000 0.442 281 E N -0.239 120.012 120.200 0.085 0.000 2.072 281 E HA -0.084 4.266 4.350 -0.000 0.000 0.191 281 E C 1.909 178.538 176.600 0.049 0.000 0.985 281 E CA 1.431 57.871 56.400 0.066 0.000 0.801 281 E CB -0.386 29.326 29.700 0.019 0.000 0.750 281 E HN 0.379 nan 8.360 nan 0.000 0.452 282 G N -1.109 107.696 108.800 0.009 0.000 2.422 282 G HA2 -0.261 3.699 3.960 -0.000 0.000 0.218 282 G HA3 -0.261 3.699 3.960 -0.000 0.000 0.218 282 G C 1.285 176.135 174.900 -0.083 0.000 1.146 282 G CA 0.868 45.919 45.100 -0.082 0.000 0.769 282 G HN 0.314 nan 8.290 nan 0.000 0.547 283 Y N -0.000 120.384 120.300 0.140 0.000 2.263 283 Y HA 0.053 4.603 4.550 -0.000 0.000 0.292 283 Y C 2.958 178.925 175.900 0.112 0.000 1.130 283 Y CA 1.263 59.528 58.100 0.275 0.000 1.179 283 Y CB -0.035 38.712 38.460 0.478 0.000 0.998 283 Y HN 0.054 nan 8.280 nan 0.000 0.532 284 R N 0.795 121.408 120.500 0.188 0.000 2.096 284 R HA -0.215 4.125 4.340 -0.000 0.000 0.235 284 R C 2.402 178.577 176.300 -0.208 0.000 1.127 284 R CA 1.589 57.568 56.100 -0.201 0.000 0.968 284 R CB -0.223 30.067 30.300 -0.016 0.000 0.861 284 R HN 0.253 nan 8.270 nan 0.000 0.440 285 R N 0.303 120.743 120.500 -0.101 0.000 2.091 285 R HA -0.128 4.212 4.340 -0.000 0.000 0.238 285 R C 2.165 178.361 176.300 -0.174 0.000 1.136 285 R CA 1.754 57.783 56.100 -0.118 0.000 0.959 285 R CB -0.042 30.213 30.300 -0.076 0.000 0.856 285 R HN 0.221 nan 8.270 nan 0.000 0.437 286 R N -0.470 119.931 120.500 -0.166 0.000 2.119 286 R HA -0.021 4.318 4.340 -0.000 0.000 0.222 286 R C 2.454 178.459 176.300 -0.493 0.000 1.088 286 R CA 0.898 56.876 56.100 -0.204 0.000 0.984 286 R CB -0.219 30.069 30.300 -0.020 0.000 0.884 286 R HN 0.207 nan 8.270 nan 0.000 0.447 287 R N 1.129 121.159 120.500 -0.783 0.000 2.073 287 R HA -0.155 4.185 4.340 -0.000 0.000 0.234 287 R C 1.022 176.927 176.300 -0.658 0.000 1.134 287 R CA 2.028 57.385 56.100 -1.239 0.000 0.952 287 R CB -0.088 29.539 30.300 -1.122 0.000 0.850 287 R HN 0.115 nan 8.270 nan 0.000 0.433 288 D N 0.881 121.012 120.400 -0.448 0.000 2.144 288 D HA -0.178 4.462 4.640 -0.000 0.000 0.200 288 D C 1.906 178.050 176.300 -0.260 0.000 0.978 288 D CA 0.789 54.610 54.000 -0.298 0.000 0.833 288 D CB -0.251 40.419 40.800 -0.216 0.000 0.961 288 D HN 0.268 nan 8.370 nan 0.000 0.470 289 L N 0.332 121.395 121.223 -0.266 0.000 1.994 289 L HA -0.143 4.197 4.340 -0.000 0.000 0.208 289 L C 2.321 179.034 176.870 -0.262 0.000 1.071 289 L CA 1.097 55.793 54.840 -0.239 0.000 0.745 289 L CB -0.170 41.737 42.059 -0.254 0.000 0.892 289 L HN 0.059 nan 8.230 nan 0.000 0.431 290 L N -0.489 120.551 121.223 -0.305 0.000 1.994 290 L HA -0.208 4.132 4.340 -0.000 0.000 0.208 290 L C 2.757 179.455 176.870 -0.287 0.000 1.071 290 L CA 1.606 56.280 54.840 -0.277 0.000 0.745 290 L CB -0.537 41.362 42.059 -0.267 0.000 0.892 290 L HN 0.419 nan 8.230 nan 0.000 0.431 291 A N -0.118 122.516 122.820 -0.311 0.000 1.892 291 A HA -0.207 4.113 4.320 -0.000 0.000 0.218 291 A C 2.272 179.731 177.584 -0.209 0.000 1.188 291 A CA 1.916 53.794 52.037 -0.265 0.000 0.631 291 A CB -1.431 17.420 19.000 -0.248 0.000 0.822 291 A HN 0.552 nan 8.150 nan 0.000 0.447 292 G N -0.874 107.814 108.800 -0.186 0.000 2.418 292 G HA2 0.031 3.991 3.960 -0.000 0.000 0.217 292 G HA3 0.031 3.991 3.960 -0.000 0.000 0.217 292 G C 1.528 176.353 174.900 -0.125 0.000 1.158 292 G CA 1.270 46.287 45.100 -0.139 0.000 0.771 292 G HN 0.756 nan 8.290 nan 0.000 0.545 293 G N 0.695 109.412 108.800 -0.139 0.000 2.422 293 G HA2 -0.108 3.852 3.960 -0.000 0.000 0.218 293 G HA3 -0.108 3.852 3.960 -0.000 0.000 0.218 293 G C 1.788 176.618 174.900 -0.116 0.000 1.146 293 G CA 0.669 45.703 45.100 -0.111 0.000 0.769 293 G HN 0.426 nan 8.290 nan 0.000 0.547 294 L N -0.743 120.380 121.223 -0.166 0.000 2.109 294 L HA 0.083 4.423 4.340 -0.000 0.000 0.207 294 L C 3.043 179.832 176.870 -0.137 0.000 1.086 294 L CA 0.558 55.293 54.840 -0.175 0.000 0.760 294 L CB -0.266 41.616 42.059 -0.295 0.000 0.910 294 L HN 0.067 nan 8.230 nan 0.000 0.437 295 R N 0.526 120.942 120.500 -0.139 0.000 2.083 295 R HA -0.141 4.199 4.340 -0.000 0.000 0.237 295 R C 2.346 178.598 176.300 -0.080 0.000 1.137 295 R CA 1.672 57.705 56.100 -0.112 0.000 0.951 295 R CB -0.796 29.440 30.300 -0.108 0.000 0.851 295 R HN 0.342 nan 8.270 nan 0.000 0.434 296 A N -0.369 122.407 122.820 -0.073 0.000 2.076 296 A HA -0.167 4.153 4.320 -0.000 0.000 0.220 296 A C 1.940 179.500 177.584 -0.041 0.000 1.160 296 A CA 1.501 53.507 52.037 -0.051 0.000 0.653 296 A CB -0.457 18.516 19.000 -0.046 0.000 0.801 296 A HN 0.318 nan 8.150 nan 0.000 0.455 297 M N -1.564 118.008 119.600 -0.047 0.000 2.561 297 M HA 0.161 4.641 4.480 -0.000 0.000 0.238 297 M C 1.244 177.530 176.300 -0.023 0.000 1.131 297 M CA 0.809 56.090 55.300 -0.031 0.000 1.046 297 M CB 0.296 32.874 32.600 -0.036 0.000 1.532 297 M HN 0.625 nan 8.290 nan 0.000 0.497 298 G N 1.343 110.122 108.800 -0.034 0.000 2.137 298 G HA2 -0.223 3.737 3.960 -0.000 0.000 0.237 298 G HA3 -0.223 3.737 3.960 -0.000 0.000 0.237 298 G C -0.130 174.752 174.900 -0.030 0.000 1.002 298 G CA -0.264 44.820 45.100 -0.027 0.000 0.702 298 G HN 0.391 nan 8.290 nan 0.000 0.515 299 L N -0.734 120.459 121.223 -0.051 0.000 2.399 299 L HA 0.710 5.050 4.340 -0.000 0.000 0.265 299 L C 0.972 177.777 176.870 -0.108 0.000 1.089 299 L CA -1.347 53.459 54.840 -0.055 0.000 0.802 299 L CB 0.958 42.984 42.059 -0.056 0.000 1.180 299 L HN 0.077 nan 8.230 nan 0.000 0.454 300 R N 1.144 121.569 120.500 -0.125 0.000 2.267 300 R HA 0.483 4.823 4.340 -0.000 0.000 0.319 300 R C -1.389 174.674 176.300 -0.396 0.000 1.067 300 R CA -0.149 55.801 56.100 -0.249 0.000 0.936 300 R CB 0.573 30.741 30.300 -0.221 0.000 1.006 300 R HN 0.375 nan 8.270 nan 0.000 0.452 301 V N 6.273 125.909 119.914 -0.463 0.000 2.588 301 V HA 0.360 4.480 4.120 -0.000 0.000 0.304 301 V C -1.090 174.721 176.094 -0.472 0.000 1.042 301 V CA -0.785 61.257 62.300 -0.432 0.000 0.877 301 V CB 1.785 33.448 31.823 -0.266 0.000 0.996 301 V HN 0.658 nan 8.190 nan 0.000 0.425 302 Y N 2.878 123.189 120.300 0.019 0.000 2.593 302 Y HA 0.437 4.987 4.550 -0.000 0.000 0.331 302 Y C 0.340 176.279 175.900 0.064 0.000 0.986 302 Y CA -0.953 57.178 58.100 0.052 0.000 1.262 302 Y CB 1.312 39.838 38.460 0.111 0.000 1.098 302 Y HN 0.393 nan 8.280 nan 0.000 0.506 303 V N 6.626 126.616 119.914 0.126 0.000 2.493 303 V HA 0.003 4.123 4.120 -0.000 0.000 0.292 303 V C -1.497 174.680 176.094 0.138 0.000 1.016 303 V CA -1.263 61.078 62.300 0.068 0.000 1.097 303 V CB -0.209 31.618 31.823 0.006 0.000 0.947 303 V HN 0.572 nan 8.190 nan 0.000 0.479 304 P HA 0.283 nan 4.420 nan 0.000 0.276 304 P C 0.075 177.530 177.300 0.258 0.000 1.244 304 P CA -0.452 62.776 63.100 0.213 0.000 0.801 304 P CB 1.415 33.279 31.700 0.274 0.000 1.006 305 E N 0.088 120.425 120.200 0.229 0.000 2.415 305 E HA 0.258 4.608 4.350 -0.000 0.000 0.197 305 E C 0.992 177.728 176.600 0.226 0.000 1.007 305 E CA -0.006 56.546 56.400 0.254 0.000 0.890 305 E CB 0.408 30.188 29.700 0.134 0.000 0.891 305 E HN 0.653 nan 8.360 nan 0.000 0.496 306 G N 0.835 109.709 108.800 0.124 0.000 2.645 306 G HA2 0.444 4.404 3.960 -0.000 0.000 0.292 306 G HA3 0.444 4.404 3.960 -0.000 0.000 0.292 306 G C -0.476 174.316 174.900 -0.180 0.000 1.415 306 G CA -0.066 44.947 45.100 -0.146 0.000 0.785 306 G HN 0.113 nan 8.290 nan 0.000 0.483 307 T N -3.328 110.928 114.554 -0.496 0.000 0.541 307 T HA -0.221 4.129 4.350 -0.000 0.000 0.774 307 T C 0.160 174.403 174.700 -0.761 0.000 0.992 307 T CA 1.326 62.777 62.100 -1.080 0.000 4.077 307 T CB -1.164 67.022 68.868 -1.136 0.000 2.303 307 T HN 2.202 nan 8.240 nan 0.000 0.398 308 Y N 0.178 119.780 120.300 -1.164 0.000 2.801 308 Y HA 0.778 5.328 4.550 -0.000 0.000 0.318 308 Y C -0.206 174.632 175.900 -1.769 0.000 1.073 308 Y CA -2.392 54.789 58.100 -1.531 0.000 1.360 308 Y CB -0.563 37.091 38.460 -1.342 0.000 1.220 308 Y HN 0.586 nan 8.280 nan 0.000 0.536 309 F N 1.950 121.654 119.950 -0.411 0.000 2.577 309 F HA 0.763 5.290 4.527 -0.000 0.000 0.318 309 F C -0.580 175.375 175.800 0.257 0.000 1.065 309 F CA -1.815 56.156 58.000 -0.048 0.000 0.929 309 F CB 2.261 41.214 39.000 -0.079 0.000 1.237 309 F HN -0.053 nan 8.300 nan 0.000 0.468 310 L N 0.445 122.001 121.223 0.554 0.000 2.466 310 L HA 0.768 5.108 4.340 -0.000 0.000 0.258 310 L C -1.424 175.676 176.870 0.384 0.000 0.973 310 L CA -1.315 53.769 54.840 0.407 0.000 0.826 310 L CB 1.914 44.159 42.059 0.310 0.000 1.372 310 L HN 0.574 nan 8.230 nan 0.000 0.409 311 M N 1.940 121.755 119.600 0.358 0.000 2.508 311 M HA 0.952 5.432 4.480 -0.000 0.000 0.327 311 M C -0.292 176.230 176.300 0.369 0.000 1.160 311 M CA -0.598 54.963 55.300 0.434 0.000 0.980 311 M CB 2.107 34.994 32.600 0.478 0.000 1.693 311 M HN 1.034 nan 8.290 nan 0.000 0.452 312 A N 1.604 124.657 122.820 0.388 0.000 2.602 312 A HA 0.699 5.019 4.320 -0.000 0.000 0.290 312 A C -1.613 176.178 177.584 0.345 0.000 1.114 312 A CA -0.791 51.361 52.037 0.192 0.000 0.683 312 A CB 1.694 20.658 19.000 -0.059 0.000 1.281 312 A HN 0.797 nan 8.150 nan 0.000 0.416 313 E N 0.053 120.378 120.200 0.209 0.000 2.158 313 E HA 0.526 4.876 4.350 -0.000 0.000 0.271 313 E C -1.693 175.069 176.600 0.270 0.000 0.911 313 E CA -0.506 56.062 56.400 0.281 0.000 0.767 313 E CB 1.670 31.478 29.700 0.180 0.000 1.120 313 E HN 0.327 nan 8.360 nan 0.000 0.405 314 L N 5.670 127.134 121.223 0.402 0.000 2.384 314 L HA 0.331 4.671 4.340 -0.000 0.000 0.261 314 L C -2.473 174.662 176.870 0.442 0.000 1.024 314 L CA -1.960 53.067 54.840 0.311 0.000 0.899 314 L CB 0.931 43.034 42.059 0.074 0.000 1.243 314 L HN 0.307 nan 8.230 nan 0.000 0.449 315 P HA 0.194 nan 4.420 nan 0.000 0.263 315 P C 0.858 178.305 177.300 0.244 0.000 1.195 315 P CA 0.455 63.708 63.100 0.255 0.000 0.762 315 P CB 0.710 32.506 31.700 0.160 0.000 0.799 316 G N 0.814 109.704 108.800 0.150 0.000 2.176 316 G HA2 -0.216 3.744 3.960 -0.000 0.000 0.252 316 G HA3 -0.216 3.744 3.960 -0.000 0.000 0.252 316 G C -0.722 174.059 174.900 -0.199 0.000 1.024 316 G CA -0.576 44.500 45.100 -0.041 0.000 0.755 316 G HN 0.401 nan 8.290 nan 0.000 0.507 317 W N -0.361 121.046 121.300 0.178 0.000 2.962 317 W HA 0.571 5.231 4.660 -0.000 0.000 0.341 317 W C -0.216 176.518 176.519 0.358 0.000 1.155 317 W CA -0.305 57.147 57.345 0.179 0.000 1.165 317 W CB 1.536 31.020 29.460 0.039 0.000 1.435 317 W HN 0.377 nan 8.180 nan 0.000 0.546 318 D N -0.284 120.474 120.400 0.595 0.000 2.738 318 D HA 0.582 5.222 4.640 -0.000 0.000 0.237 318 D C 0.650 177.220 176.300 0.450 0.000 1.123 318 D CA -0.589 53.724 54.000 0.521 0.000 0.856 318 D CB 1.827 42.832 40.800 0.342 0.000 1.552 318 D HN 0.402 nan 8.370 nan 0.000 0.480 319 A N 1.588 124.662 122.820 0.424 0.000 1.909 319 A HA -0.259 4.061 4.320 -0.000 0.000 0.221 319 A C 1.625 179.108 177.584 -0.169 0.000 1.223 319 A CA 1.618 53.685 52.037 0.050 0.000 0.658 319 A CB -1.222 17.637 19.000 -0.234 0.000 0.831 319 A HN 0.648 nan 8.150 nan 0.000 0.462 320 F N -0.885 119.135 119.950 0.117 0.000 2.186 320 F HA -0.040 4.487 4.527 -0.000 0.000 0.299 320 F C 2.447 178.305 175.800 0.098 0.000 1.090 320 F CA 1.463 59.510 58.000 0.077 0.000 1.307 320 F CB -0.383 38.651 39.000 0.056 0.000 1.019 320 F HN 0.181 nan 8.300 nan 0.000 0.489 321 R N 0.788 121.477 120.500 0.315 0.000 2.075 321 R HA -0.119 4.221 4.340 -0.000 0.000 0.232 321 R C 2.207 178.676 176.300 0.282 0.000 1.126 321 R CA 1.114 57.395 56.100 0.301 0.000 0.963 321 R CB -0.494 30.009 30.300 0.339 0.000 0.858 321 R HN 0.330 nan 8.270 nan 0.000 0.435 322 L N 0.172 121.515 121.223 0.201 0.000 2.012 322 L HA -0.186 4.154 4.340 -0.000 0.000 0.210 322 L C 2.511 179.311 176.870 -0.117 0.000 1.073 322 L CA 1.273 56.049 54.840 -0.106 0.000 0.748 322 L CB -0.438 41.421 42.059 -0.333 0.000 0.891 322 L HN 0.177 nan 8.230 nan 0.000 0.431 323 V N -0.236 119.626 119.914 -0.085 0.000 2.469 323 V HA -0.285 3.834 4.120 -0.000 0.000 0.251 323 V C 2.275 178.359 176.094 -0.016 0.000 1.064 323 V CA 1.973 64.227 62.300 -0.077 0.000 1.066 323 V CB -0.177 31.596 31.823 -0.084 0.000 0.667 323 V HN 0.498 nan 8.190 nan 0.000 0.461 324 E N -0.821 119.403 120.200 0.040 0.000 2.086 324 E HA -0.127 4.223 4.350 -0.000 0.000 0.190 324 E C 2.141 178.773 176.600 0.054 0.000 0.975 324 E CA 1.162 57.597 56.400 0.058 0.000 0.813 324 E CB 0.031 29.787 29.700 0.092 0.000 0.768 324 E HN 0.705 nan 8.360 nan 0.000 0.457 325 E N 0.461 120.707 120.200 0.078 0.000 2.086 325 E HA 0.001 4.351 4.350 -0.000 0.000 0.190 325 E C 1.770 178.378 176.600 0.014 0.000 0.975 325 E CA 0.681 57.133 56.400 0.087 0.000 0.813 325 E CB 0.163 29.990 29.700 0.212 0.000 0.768 325 E HN 0.097 nan 8.360 nan 0.000 0.457 326 A N 0.521 123.297 122.820 -0.073 0.000 2.195 326 A HA 0.061 4.381 4.320 -0.000 0.000 0.210 326 A C 0.495 178.019 177.584 -0.099 0.000 1.165 326 A CA -0.129 51.828 52.037 -0.134 0.000 0.806 326 A CB 0.223 19.047 19.000 -0.295 0.000 0.847 326 A HN 0.028 nan 8.150 nan 0.000 0.482 327 R N -1.481 118.974 120.500 -0.075 0.000 3.423 327 R HA -0.128 4.212 4.340 -0.000 0.000 0.271 327 R C -1.051 175.201 176.300 -0.081 0.000 1.093 327 R CA 0.859 56.925 56.100 -0.056 0.000 0.730 327 R CB -2.970 27.310 30.300 -0.032 0.000 1.190 327 R HN 0.353 nan 8.270 nan 0.000 0.437 328 V N -0.096 119.742 119.914 -0.127 0.000 2.569 328 V HA 0.692 4.812 4.120 -0.000 0.000 0.301 328 V C 0.124 176.102 176.094 -0.193 0.000 1.044 328 V CA -0.652 61.555 62.300 -0.155 0.000 0.874 328 V CB 2.174 33.880 31.823 -0.195 0.000 1.002 328 V HN 0.365 nan 8.190 nan 0.000 0.424 329 A N 6.469 129.192 122.820 -0.163 0.000 2.274 329 A HA 0.916 5.236 4.320 -0.000 0.000 0.309 329 A C -0.743 176.715 177.584 -0.210 0.000 1.226 329 A CA -0.244 51.690 52.037 -0.172 0.000 0.853 329 A CB 0.442 19.380 19.000 -0.103 0.000 1.146 329 A HN 0.791 nan 8.150 nan 0.000 0.518 330 L N 2.167 123.245 121.223 -0.242 0.000 2.303 330 L HA 0.588 4.928 4.340 -0.000 0.000 0.256 330 L C -0.798 176.024 176.870 -0.079 0.000 1.034 330 L CA -1.010 53.694 54.840 -0.227 0.000 0.832 330 L CB 1.816 43.625 42.059 -0.415 0.000 1.403 330 L HN 0.441 nan 8.230 nan 0.000 0.419 331 I N 2.912 123.506 120.570 0.041 0.000 2.362 331 I HA 0.321 4.490 4.170 -0.000 0.000 0.289 331 I C -2.193 174.007 176.117 0.138 0.000 0.994 331 I CA -2.243 59.062 61.300 0.008 0.000 1.158 331 I CB 1.338 39.368 38.000 0.049 0.000 1.315 331 I HN 0.220 nan 8.210 nan 0.000 0.451 332 P HA 0.106 nan 4.420 nan 0.000 0.272 332 P C 0.544 177.817 177.300 -0.045 0.000 1.223 332 P CA -0.186 62.821 63.100 -0.154 0.000 0.784 332 P CB 1.314 32.925 31.700 -0.148 0.000 0.923 333 A N 3.192 125.982 122.820 -0.049 0.000 1.948 333 A HA -0.212 4.108 4.320 -0.000 0.000 0.220 333 A C 2.183 179.923 177.584 0.260 0.000 1.177 333 A CA 2.447 54.639 52.037 0.258 0.000 0.636 333 A CB -1.856 17.247 19.000 0.171 0.000 0.815 333 A HN 0.689 nan 8.150 nan 0.000 0.449 334 S N -0.330 115.403 115.700 0.054 0.000 2.528 334 S HA 0.115 4.585 4.470 -0.000 0.000 0.244 334 S C 1.627 176.189 174.600 -0.063 0.000 0.982 334 S CA 1.116 59.338 58.200 0.037 0.000 0.953 334 S CB -0.477 62.724 63.200 0.000 0.000 0.754 334 S HN 0.912 nan 8.310 nan 0.000 0.529 335 A N 0.216 122.879 122.820 -0.263 0.000 2.081 335 A HA 0.433 4.753 4.320 -0.000 0.000 0.214 335 A C 1.339 178.519 177.584 -0.674 0.000 1.158 335 A CA 0.300 51.994 52.037 -0.572 0.000 0.724 335 A CB -0.422 17.969 19.000 -1.014 0.000 0.826 335 A HN 0.600 nan 8.150 nan 0.000 0.463 336 F N -2.910 116.886 119.950 -0.256 0.000 2.706 336 F HA 0.355 4.882 4.527 -0.000 0.000 0.308 336 F C -0.169 174.758 175.800 -1.456 0.000 1.095 336 F CA -0.487 57.059 58.000 -0.756 0.000 1.244 336 F CB 0.155 38.755 39.000 -0.665 0.000 1.063 336 F HN 0.043 nan 8.300 nan 0.000 0.582 337 Y N -0.010 120.040 120.300 -0.417 0.000 2.393 337 Y HA 0.375 4.925 4.550 -0.000 0.000 0.341 337 Y C 0.731 176.670 175.900 0.064 0.000 0.988 337 Y CA -1.156 56.794 58.100 -0.250 0.000 1.078 337 Y CB 1.636 40.053 38.460 -0.072 0.000 1.203 337 Y HN -0.178 nan 8.280 nan 0.000 0.453 338 L N 1.353 122.840 121.223 0.441 0.000 2.044 338 L HA 0.099 4.439 4.340 -0.000 0.000 0.205 338 L C 0.079 177.078 176.870 0.215 0.000 1.075 338 L CA 1.834 56.900 54.840 0.378 0.000 0.747 338 L CB -0.094 42.176 42.059 0.352 0.000 0.903 338 L HN 0.685 nan 8.230 nan 0.000 0.435 339 E N -1.239 119.075 120.200 0.190 0.000 2.408 339 E HA 0.183 4.533 4.350 -0.000 0.000 0.275 339 E C -0.948 175.688 176.600 0.061 0.000 0.935 339 E CA -0.653 55.811 56.400 0.106 0.000 0.775 339 E CB 1.563 31.315 29.700 0.086 0.000 1.277 339 E HN 0.040 nan 8.360 nan 0.000 0.455 340 D N 1.980 122.390 120.400 0.016 0.000 2.980 340 D HA -0.121 4.519 4.640 -0.000 0.000 0.218 340 D C -2.279 173.946 176.300 -0.126 0.000 1.225 340 D CA 0.108 54.087 54.000 -0.035 0.000 0.804 340 D CB -0.051 40.734 40.800 -0.025 0.000 0.906 340 D HN 0.076 nan 8.370 nan 0.000 0.396 341 P HA 0.329 nan 4.420 nan 0.000 0.279 341 P C -2.504 174.586 177.300 -0.350 0.000 1.252 341 P CA -1.352 61.508 63.100 -0.401 0.000 0.811 341 P CB 0.521 32.134 31.700 -0.145 0.000 1.035 342 P HA 0.037 nan 4.420 nan 0.000 0.264 342 P C -0.002 177.228 177.300 -0.116 0.000 1.183 342 P CA 0.479 63.440 63.100 -0.231 0.000 0.763 342 P CB 0.165 31.753 31.700 -0.187 0.000 0.807 343 K N 3.351 123.715 120.400 -0.060 0.000 2.379 343 K HA 0.022 4.342 4.320 -0.000 0.000 0.284 343 K C 0.201 176.819 176.600 0.030 0.000 1.044 343 K CA 0.298 56.575 56.287 -0.017 0.000 0.974 343 K CB 0.070 32.573 32.500 0.005 0.000 0.962 343 K HN 0.538 nan 8.250 nan 0.000 0.474 344 D N 0.520 120.937 120.400 0.028 0.000 2.945 344 D HA -0.210 4.430 4.640 -0.000 0.000 0.225 344 D C -0.363 176.028 176.300 0.152 0.000 1.158 344 D CA 0.657 54.751 54.000 0.157 0.000 0.805 344 D CB -1.369 39.591 40.800 0.266 0.000 1.098 344 D HN 0.279 nan 8.370 nan 0.000 0.426 345 L N 0.353 121.538 121.223 -0.064 0.000 2.272 345 L HA 0.557 4.897 4.340 -0.000 0.000 0.289 345 L C -0.750 176.053 176.870 -0.110 0.000 1.032 345 L CA -0.255 54.642 54.840 0.094 0.000 0.810 345 L CB 0.586 42.742 42.059 0.162 0.000 1.205 345 L HN -0.107 nan 8.230 nan 0.000 0.422 346 F N 3.715 123.837 119.950 0.287 0.000 2.577 346 F HA 0.607 5.134 4.527 -0.000 0.000 0.318 346 F C 0.108 176.107 175.800 0.331 0.000 1.065 346 F CA -0.748 57.401 58.000 0.249 0.000 0.929 346 F CB 1.540 40.617 39.000 0.129 0.000 1.237 346 F HN 0.329 nan 8.300 nan 0.000 0.468 347 R N 1.682 122.447 120.500 0.442 0.000 2.346 347 R HA 0.580 4.920 4.340 -0.000 0.000 0.311 347 R C -1.900 174.630 176.300 0.384 0.000 0.983 347 R CA -0.440 55.894 56.100 0.390 0.000 0.880 347 R CB 0.709 31.138 30.300 0.214 0.000 1.100 347 R HN 0.507 nan 8.270 nan 0.000 0.453 348 F N 1.796 121.922 119.950 0.293 0.000 2.469 348 F HA 0.521 5.048 4.527 -0.000 0.000 0.332 348 F C 0.277 176.310 175.800 0.389 0.000 1.103 348 F CA -0.689 57.481 58.000 0.283 0.000 0.979 348 F CB 2.172 41.311 39.000 0.232 0.000 1.137 348 F HN 0.545 nan 8.300 nan 0.000 0.463 349 A N 3.276 126.370 122.820 0.457 0.000 2.276 349 A HA 0.616 4.936 4.320 -0.000 0.000 0.316 349 A C -0.581 177.086 177.584 0.138 0.000 1.229 349 A CA -0.468 51.727 52.037 0.265 0.000 0.851 349 A CB -0.162 18.971 19.000 0.221 0.000 1.165 349 A HN 0.743 nan 8.150 nan 0.000 0.513 350 F N 0.739 120.718 119.950 0.048 0.000 2.772 350 F HA 0.273 4.800 4.527 -0.000 0.000 0.302 350 F C 0.677 176.457 175.800 -0.033 0.000 1.136 350 F CA -1.183 56.826 58.000 0.016 0.000 1.322 350 F CB -0.775 38.249 39.000 0.041 0.000 0.967 350 F HN 0.399 nan 8.300 nan 0.000 0.513 351 C N 0.297 119.428 119.300 -0.281 0.000 2.882 351 C HA 0.564 5.024 4.460 -0.000 0.000 0.492 351 C C 0.258 175.103 174.990 -0.242 0.000 1.279 351 C CA -0.723 58.114 59.018 -0.303 0.000 1.551 351 C CB -1.850 25.283 27.740 -1.012 0.000 2.037 351 C HN 0.262 nan 8.230 nan 0.000 0.625 352 K N 0.689 121.016 120.400 -0.123 0.000 2.378 352 K HA 0.602 4.922 4.320 -0.000 0.000 0.244 352 K C 0.261 176.816 176.600 -0.074 0.000 1.039 352 K CA -0.125 56.097 56.287 -0.107 0.000 0.863 352 K CB 1.350 33.803 32.500 -0.079 0.000 1.326 352 K HN 0.472 nan 8.250 nan 0.000 0.460 353 T N -1.819 112.702 114.554 -0.055 0.000 2.860 353 T HA 0.147 4.497 4.350 -0.000 0.000 0.299 353 T C 1.119 175.806 174.700 -0.023 0.000 1.045 353 T CA -0.206 61.871 62.100 -0.039 0.000 1.071 353 T CB 0.590 69.448 68.868 -0.018 0.000 0.985 353 T HN 0.449 nan 8.240 nan 0.000 0.537 354 E N 0.719 120.913 120.200 -0.010 0.000 2.153 354 E HA -0.170 4.180 4.350 -0.000 0.000 0.194 354 E C 1.985 178.647 176.600 0.104 0.000 0.988 354 E CA 1.299 57.707 56.400 0.014 0.000 0.811 354 E CB -0.065 29.670 29.700 0.058 0.000 0.746 354 E HN 0.740 nan 8.360 nan 0.000 0.466 355 E N 1.120 121.375 120.200 0.092 0.000 2.077 355 E HA -0.175 4.175 4.350 -0.000 0.000 0.193 355 E C 1.826 178.470 176.600 0.074 0.000 0.989 355 E CA 1.071 57.532 56.400 0.100 0.000 0.800 355 E CB -0.032 29.695 29.700 0.045 0.000 0.746 355 E HN 0.280 nan 8.360 nan 0.000 0.452 356 E N 0.069 120.287 120.200 0.030 0.000 2.106 356 E HA -0.134 4.216 4.350 -0.000 0.000 0.192 356 E C 2.023 178.628 176.600 0.010 0.000 0.984 356 E CA 0.693 57.101 56.400 0.012 0.000 0.806 356 E CB -0.061 29.633 29.700 -0.010 0.000 0.750 356 E HN 0.226 nan 8.360 nan 0.000 0.458 357 L N -0.226 120.989 121.223 -0.014 0.000 2.056 357 L HA -0.172 4.168 4.340 -0.000 0.000 0.207 357 L C 2.214 179.035 176.870 -0.082 0.000 1.078 357 L CA 1.301 56.106 54.840 -0.057 0.000 0.749 357 L CB -0.428 41.556 42.059 -0.125 0.000 0.901 357 L HN 0.206 nan 8.230 nan 0.000 0.433 358 H N -0.722 118.339 119.070 -0.014 0.000 2.389 358 H HA -0.138 4.418 4.556 -0.000 0.000 0.299 358 H C 2.263 177.580 175.328 -0.017 0.000 1.081 358 H CA 1.079 57.115 56.048 -0.021 0.000 1.345 358 H CB 0.218 29.965 29.762 -0.025 0.000 1.393 358 H HN 0.165 nan 8.280 nan 0.000 0.520 359 L N 0.104 121.389 121.223 0.104 0.000 2.046 359 L HA -0.179 4.161 4.340 -0.000 0.000 0.208 359 L C 2.430 179.313 176.870 0.022 0.000 1.077 359 L CA 1.279 56.148 54.840 0.048 0.000 0.747 359 L CB -0.498 41.578 42.059 0.028 0.000 0.896 359 L HN 0.380 nan 8.230 nan 0.000 0.432 360 A N -0.164 122.665 122.820 0.016 0.000 1.933 360 A HA -0.191 4.129 4.320 -0.000 0.000 0.218 360 A C 2.152 179.739 177.584 0.005 0.000 1.175 360 A CA 1.316 53.354 52.037 0.003 0.000 0.628 360 A CB -0.589 18.426 19.000 0.025 0.000 0.814 360 A HN 0.472 nan 8.150 nan 0.000 0.444 361 L N -0.648 120.582 121.223 0.012 0.000 2.056 361 L HA -0.158 4.182 4.340 -0.000 0.000 0.207 361 L C 2.677 179.548 176.870 0.001 0.000 1.078 361 L CA 1.179 56.020 54.840 0.002 0.000 0.749 361 L CB -0.515 41.539 42.059 -0.008 0.000 0.901 361 L HN 0.377 nan 8.230 nan 0.000 0.433 362 E N 0.277 120.487 120.200 0.017 0.000 2.051 362 E HA -0.186 4.164 4.350 -0.000 0.000 0.192 362 E C 2.318 178.910 176.600 -0.013 0.000 0.991 362 E CA 1.092 57.497 56.400 0.008 0.000 0.799 362 E CB -0.141 29.568 29.700 0.015 0.000 0.748 362 E HN 0.485 nan 8.360 nan 0.000 0.449 363 R N 0.457 120.944 120.500 -0.023 0.000 2.066 363 R HA -0.024 4.316 4.340 -0.000 0.000 0.232 363 R C 2.687 178.939 176.300 -0.079 0.000 1.131 363 R CA 0.720 56.793 56.100 -0.046 0.000 0.955 363 R CB -0.625 29.643 30.300 -0.053 0.000 0.851 363 R HN 0.193 nan 8.270 nan 0.000 0.432 364 L N 0.273 121.442 121.223 -0.091 0.000 2.131 364 L HA -0.095 4.245 4.340 -0.000 0.000 0.210 364 L C 2.583 179.396 176.870 -0.094 0.000 1.092 364 L CA 1.269 56.025 54.840 -0.140 0.000 0.759 364 L CB -0.848 41.148 42.059 -0.105 0.000 0.903 364 L HN 0.360 nan 8.230 nan 0.000 0.435 365 G N -0.085 108.685 108.800 -0.049 0.000 2.459 365 G HA2 -0.257 3.703 3.960 -0.000 0.000 0.217 365 G HA3 -0.257 3.703 3.960 -0.000 0.000 0.217 365 G C 1.708 176.601 174.900 -0.012 0.000 1.183 365 G CA 0.530 45.614 45.100 -0.025 0.000 0.776 365 G HN 0.272 nan 8.290 nan 0.000 0.552 366 R N -0.314 120.178 120.500 -0.012 0.000 2.083 366 R HA -0.046 4.294 4.340 -0.000 0.000 0.237 366 R C 2.379 178.694 176.300 0.024 0.000 1.137 366 R CA 1.303 57.407 56.100 0.005 0.000 0.951 366 R CB -0.591 29.711 30.300 0.003 0.000 0.851 366 R HN 0.300 nan 8.270 nan 0.000 0.434 367 V N 1.731 121.648 119.914 0.005 0.000 3.592 367 V HA -0.053 4.067 4.120 -0.000 0.000 0.272 367 V C 0.936 177.092 176.094 0.103 0.000 1.228 367 V CA 0.218 62.550 62.300 0.055 0.000 1.173 367 V CB -1.044 30.745 31.823 -0.056 0.000 0.873 367 V HN 0.129 nan 8.190 nan 0.000 0.476 368 V N 0.000 119.946 119.914 0.053 0.000 2.409 368 V HA 0.000 4.120 4.120 -0.000 0.000 0.244 368 V CA 0.000 62.344 62.300 0.073 0.000 1.235 368 V CB 0.000 31.887 31.823 0.106 0.000 1.184 368 V HN 0.000 nan 8.190 nan 0.000 0.556