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 3euq_1_C DATA FIRST_RESID 10 DATA SEQUENCE LGLSITGLGV QYPPYSLGPD AIDILSKRYH PESPAMKKVL AINRYTGIDQ DATA SEQUENCE RSSIGNPDHP LVNKPNPPTV KELHEVFMSD GVPLAVEASR KAMAEARLVP DATA SEQUENCE AQITHMVSTT CTDSANPGYD HYVAKELGLS DRLEKVLLHG IGXSGGLAAL DATA SEQUENCE RTAANLCLGH TARGKPARIL VLALEVSTTM VRSELESIDA LQETRIGIAL DATA SEQUENCE FSDCASAVIL SNGIGEAPGK PAIYDLLGWE NRVIPDSEHD LGGDVDPMGW DATA SEQUENCE KVVLSPRVPV LAKASLQPTY ADLLSSLQDQ LPSSYQKPAD FDWAMHPGGA DATA SEQUENCE TILSGAESAM GLTPEHMRAS YDRYINHGNS SSATIFSVLN RLREKDMDAL DATA SEQUENCE APGGKVKEYV VGCAFGPGIN VEMCMLKRR VARS RESID RESNAME ATOMNAME SS_SHIFT SHIFT RC_SHIFT HM_SHIFT EF_SHIFT SIGMA FORMAT %4d %4s %4s %9.3f %9.3f %9.3f %9.3f %9.3f %9.3f 10 L HA 0.000 nan 4.340 nan 0.000 0.249 10 L C 0.000 176.903 176.870 0.056 0.000 1.165 10 L CA 0.000 54.871 54.840 0.052 0.000 0.813 10 L CB 0.000 42.109 42.059 0.084 0.000 0.961 11 G N 2.041 110.868 108.800 0.046 0.000 2.143 11 G HA2 -0.260 3.700 3.960 -0.000 0.000 0.248 11 G HA3 -0.260 3.700 3.960 -0.000 0.000 0.248 11 G C -0.044 174.879 174.900 0.038 0.000 0.991 11 G CA 0.429 45.552 45.100 0.037 0.000 0.689 11 G HN 0.178 nan 8.290 nan 0.000 0.522 12 L N 1.673 122.929 121.223 0.055 0.000 2.275 12 L HA 0.677 5.017 4.340 -0.000 0.000 0.288 12 L C 0.553 177.447 176.870 0.040 0.000 1.046 12 L CA -0.119 54.749 54.840 0.047 0.000 0.805 12 L CB 1.821 43.929 42.059 0.081 0.000 1.193 12 L HN 0.403 nan 8.230 nan 0.000 0.426 13 S N 2.857 118.567 115.700 0.016 0.000 2.540 13 S HA 0.643 5.112 4.470 -0.000 0.000 0.275 13 S C -0.709 173.892 174.600 0.002 0.000 1.123 13 S CA -0.842 57.369 58.200 0.019 0.000 0.907 13 S CB 1.612 64.818 63.200 0.010 0.000 1.081 13 S HN 0.428 nan 8.310 nan 0.000 0.476 14 I N 3.230 123.817 120.570 0.028 0.000 2.322 14 I HA 0.197 4.366 4.170 -0.000 0.000 0.292 14 I C 1.417 177.534 176.117 -0.000 0.000 1.060 14 I CA -0.342 60.963 61.300 0.009 0.000 1.309 14 I CB 1.198 39.237 38.000 0.065 0.000 1.415 14 I HN 1.022 nan 8.210 nan 0.000 0.492 15 T N 1.071 115.606 114.554 -0.032 0.000 3.044 15 T HA 0.325 4.675 4.350 -0.000 0.000 0.250 15 T C 0.650 175.323 174.700 -0.045 0.000 1.081 15 T CA -0.095 61.983 62.100 -0.038 0.000 1.040 15 T CB 0.458 69.305 68.868 -0.035 0.000 0.962 15 T HN 0.660 nan 8.240 nan 0.000 0.506 16 G N 0.582 109.351 108.800 -0.051 0.000 2.703 16 G HA2 0.582 4.542 3.960 -0.000 0.000 0.294 16 G HA3 0.582 4.542 3.960 -0.000 0.000 0.294 16 G C -2.285 172.576 174.900 -0.065 0.000 1.451 16 G CA -0.955 44.115 45.100 -0.051 0.000 0.869 16 G HN 0.256 nan 8.290 nan 0.000 0.516 17 L N -0.043 121.151 121.223 -0.047 0.000 2.434 17 L HA 0.924 5.264 4.340 -0.000 0.000 0.260 17 L C 0.387 177.240 176.870 -0.028 0.000 0.983 17 L CA -0.468 54.340 54.840 -0.054 0.000 0.820 17 L CB 2.574 44.628 42.059 -0.008 0.000 1.361 17 L HN 0.996 nan 8.230 nan 0.000 0.410 18 G N 0.483 109.267 108.800 -0.027 0.000 2.706 18 G HA2 0.728 4.688 3.960 -0.000 0.000 0.297 18 G HA3 0.728 4.688 3.960 -0.000 0.000 0.297 18 G C -2.036 172.856 174.900 -0.012 0.000 1.403 18 G CA -0.593 44.499 45.100 -0.014 0.000 0.954 18 G HN 0.350 nan 8.290 nan 0.000 0.500 19 V N 0.705 120.602 119.914 -0.027 0.000 2.760 19 V HA 0.666 4.785 4.120 -0.000 0.000 0.309 19 V C -0.840 175.192 176.094 -0.103 0.000 1.077 19 V CA -0.755 61.489 62.300 -0.093 0.000 0.910 19 V CB 2.027 33.792 31.823 -0.095 0.000 1.008 19 V HN 0.788 nan 8.190 nan 0.000 0.424 20 Q N 2.919 122.612 119.800 -0.177 0.000 2.294 20 Q HA 0.526 4.866 4.340 -0.000 0.000 0.264 20 Q C -1.848 174.038 176.000 -0.191 0.000 0.992 20 Q CA -0.318 55.415 55.803 -0.116 0.000 0.747 20 Q CB 1.310 30.011 28.738 -0.061 0.000 1.262 20 Q HN 0.622 nan 8.270 nan 0.000 0.452 21 Y N 4.213 124.488 120.300 -0.041 0.000 2.301 21 Y HA 0.487 5.037 4.550 -0.000 0.000 0.325 21 Y C -1.663 174.239 175.900 0.004 0.000 1.203 21 Y CA -1.774 56.310 58.100 -0.028 0.000 1.255 21 Y CB 0.666 39.099 38.460 -0.044 0.000 1.232 21 Y HN 0.553 nan 8.280 nan 0.000 0.501 22 P HA 0.115 nan 4.420 nan 0.000 0.275 22 P C -2.288 175.082 177.300 0.117 0.000 1.266 22 P CA -1.412 61.769 63.100 0.135 0.000 0.793 22 P CB 0.578 32.367 31.700 0.149 0.000 1.074 23 P HA -0.002 nan 4.420 nan 0.000 0.223 23 P C -0.201 176.943 177.300 -0.259 0.000 1.151 23 P CA 1.225 64.229 63.100 -0.160 0.000 0.787 23 P CB -0.173 31.321 31.700 -0.343 0.000 0.788 24 Y N -0.867 119.466 120.300 0.056 0.000 2.334 24 Y HA 0.464 5.014 4.550 -0.000 0.000 0.328 24 Y C 0.724 176.644 175.900 0.034 0.000 1.130 24 Y CA -0.536 57.589 58.100 0.042 0.000 1.163 24 Y CB 1.186 39.673 38.460 0.045 0.000 1.207 24 Y HN -0.342 nan 8.280 nan 0.000 0.471 25 S N 3.847 119.635 115.700 0.147 0.000 2.756 25 S HA 0.532 5.002 4.470 -0.000 0.000 0.303 25 S C -0.974 173.655 174.600 0.048 0.000 1.135 25 S CA -0.732 57.501 58.200 0.055 0.000 1.066 25 S CB 0.227 63.414 63.200 -0.020 0.000 1.008 25 S HN 0.434 nan 8.310 nan 0.000 0.482 26 L N 2.720 123.964 121.223 0.035 0.000 2.307 26 L HA 0.656 4.996 4.340 -0.000 0.000 0.284 26 L C 1.063 177.926 176.870 -0.012 0.000 1.023 26 L CA -0.820 54.034 54.840 0.024 0.000 0.810 26 L CB 1.237 43.315 42.059 0.031 0.000 1.231 26 L HN 0.698 nan 8.230 nan 0.000 0.423 27 G N 2.043 110.836 108.800 -0.013 0.000 2.621 27 G HA2 0.303 4.263 3.960 -0.000 0.000 0.271 27 G HA3 0.303 4.263 3.960 -0.000 0.000 0.271 27 G C -1.821 173.063 174.900 -0.026 0.000 1.236 27 G CA -0.920 44.164 45.100 -0.027 0.000 0.958 27 G HN 0.486 nan 8.290 nan 0.000 0.512 28 P HA -0.039 nan 4.420 nan 0.000 0.223 28 P C 1.351 178.635 177.300 -0.027 0.000 1.151 28 P CA 1.180 64.257 63.100 -0.039 0.000 0.787 28 P CB 0.090 31.760 31.700 -0.051 0.000 0.788 29 D N 0.385 120.774 120.400 -0.019 0.000 2.311 29 D HA -0.150 4.490 4.640 -0.000 0.000 0.212 29 D C 1.617 177.916 176.300 -0.002 0.000 0.972 29 D CA 1.236 55.230 54.000 -0.011 0.000 0.887 29 D CB -0.684 40.112 40.800 -0.008 0.000 0.915 29 D HN 0.123 nan 8.370 nan 0.000 0.497 30 A N 1.512 124.332 122.820 0.001 0.000 1.902 30 A HA -0.095 4.224 4.320 -0.000 0.000 0.217 30 A C 2.496 180.092 177.584 0.021 0.000 1.181 30 A CA 1.833 53.877 52.037 0.012 0.000 0.623 30 A CB -0.862 18.145 19.000 0.012 0.000 0.818 30 A HN 0.512 nan 8.150 nan 0.000 0.443 31 I N -3.039 117.540 120.570 0.016 0.000 2.500 31 I HA -0.071 4.098 4.170 -0.000 0.000 0.252 31 I C 1.351 177.487 176.117 0.031 0.000 1.142 31 I CA 1.695 63.012 61.300 0.029 0.000 1.451 31 I CB -0.356 37.655 38.000 0.019 0.000 1.093 31 I HN 0.005 nan 8.210 nan 0.000 0.430 32 D N 1.839 122.245 120.400 0.011 0.000 2.123 32 D HA -0.165 4.475 4.640 -0.000 0.000 0.196 32 D C 2.154 178.463 176.300 0.015 0.000 0.992 32 D CA 1.517 55.522 54.000 0.007 0.000 0.833 32 D CB -0.156 40.640 40.800 -0.007 0.000 0.954 32 D HN 0.366 nan 8.370 nan 0.000 0.455 33 I N 0.538 121.117 120.570 0.014 0.000 2.179 33 I HA -0.179 3.991 4.170 -0.000 0.000 0.242 33 I C 2.510 178.638 176.117 0.018 0.000 1.088 33 I CA 0.795 62.099 61.300 0.007 0.000 1.357 33 I CB -0.727 37.278 38.000 0.009 0.000 1.051 33 I HN 0.016 nan 8.210 nan 0.000 0.409 34 L N -0.919 120.345 121.223 0.068 0.000 2.109 34 L HA -0.148 4.192 4.340 -0.000 0.000 0.207 34 L C 2.622 179.610 176.870 0.196 0.000 1.086 34 L CA 1.165 56.098 54.840 0.154 0.000 0.760 34 L CB -0.468 41.699 42.059 0.180 0.000 0.910 34 L HN 0.233 nan 8.230 nan 0.000 0.437 35 S N 0.159 115.946 115.700 0.146 0.000 2.356 35 S HA -0.267 4.203 4.470 -0.000 0.000 0.223 35 S C 2.105 176.782 174.600 0.129 0.000 1.032 35 S CA 1.744 60.052 58.200 0.180 0.000 1.005 35 S CB -0.093 63.173 63.200 0.110 0.000 0.867 35 S HN 0.329 nan 8.310 nan 0.000 0.449 36 K N 0.441 120.865 120.400 0.040 0.000 2.148 36 K HA -0.044 4.275 4.320 -0.000 0.000 0.204 36 K C 2.473 179.012 176.600 -0.103 0.000 1.050 36 K CA 0.934 57.213 56.287 -0.014 0.000 0.942 36 K CB -0.204 32.281 32.500 -0.025 0.000 0.724 36 K HN 0.298 nan 8.250 nan 0.000 0.446 37 R N -0.792 119.591 120.500 -0.195 0.000 2.075 37 R HA -0.137 4.203 4.340 -0.000 0.000 0.232 37 R C 1.176 177.061 176.300 -0.692 0.000 1.126 37 R CA 1.682 57.487 56.100 -0.492 0.000 0.963 37 R CB -0.023 29.868 30.300 -0.682 0.000 0.858 37 R HN 0.267 nan 8.270 nan 0.000 0.435 38 Y N -2.191 118.033 120.300 -0.126 0.000 2.442 38 Y HA 0.259 4.808 4.550 -0.000 0.000 0.250 38 Y C -0.289 175.242 175.900 -0.615 0.000 1.113 38 Y CA -0.077 57.814 58.100 -0.348 0.000 1.273 38 Y CB 0.714 38.934 38.460 -0.400 0.000 1.138 38 Y HN 0.043 nan 8.280 nan 0.000 0.522 39 H N -1.096 118.029 119.070 0.092 0.000 2.856 39 H HA 0.360 4.916 4.556 -0.000 0.000 0.355 39 H C -2.561 172.783 175.328 0.026 0.000 1.079 39 H CA -2.172 53.914 56.048 0.064 0.000 1.240 39 H CB 1.603 31.407 29.762 0.070 0.000 1.701 39 H HN -0.161 nan 8.280 nan 0.000 0.527 40 P HA -0.007 nan 4.420 nan 0.000 0.269 40 P C -0.334 177.012 177.300 0.078 0.000 1.217 40 P CA -0.240 62.904 63.100 0.073 0.000 0.783 40 P CB 0.722 32.455 31.700 0.056 0.000 0.898 41 E N 0.080 120.308 120.200 0.046 0.000 2.413 41 E HA 0.279 4.628 4.350 -0.000 0.000 0.263 41 E C 0.052 176.671 176.600 0.030 0.000 1.015 41 E CA 0.570 56.991 56.400 0.035 0.000 0.916 41 E CB 0.139 29.852 29.700 0.022 0.000 0.947 41 E HN 0.414 nan 8.360 nan 0.000 0.440 42 S N 1.710 117.422 115.700 0.021 0.000 2.627 42 S HA 0.468 4.937 4.470 -0.000 0.000 0.283 42 S C -2.275 172.330 174.600 0.008 0.000 1.127 42 S CA -1.484 56.724 58.200 0.013 0.000 0.863 42 S CB 1.755 64.959 63.200 0.007 0.000 1.121 42 S HN 0.128 nan 8.310 nan 0.000 0.479 43 P HA -0.084 nan 4.420 nan 0.000 0.214 43 P C 1.577 178.881 177.300 0.006 0.000 1.163 43 P CA 2.345 65.451 63.100 0.009 0.000 0.889 43 P CB -0.221 31.484 31.700 0.009 0.000 0.790 44 A N -1.506 121.314 122.820 -0.000 0.000 1.930 44 A HA -0.167 4.152 4.320 -0.000 0.000 0.217 44 A C 2.230 179.807 177.584 -0.012 0.000 1.175 44 A CA 1.865 53.900 52.037 -0.004 0.000 0.627 44 A CB -1.379 17.615 19.000 -0.010 0.000 0.815 44 A HN 0.090 nan 8.150 nan 0.000 0.443 45 M N 0.048 119.637 119.600 -0.018 0.000 2.086 45 M HA -0.107 4.373 4.480 -0.000 0.000 0.261 45 M C 1.859 178.151 176.300 -0.013 0.000 1.067 45 M CA 1.834 57.122 55.300 -0.020 0.000 1.116 45 M CB -0.472 32.120 32.600 -0.014 0.000 1.348 45 M HN 0.363 nan 8.290 nan 0.000 0.407 46 K N -0.513 119.884 120.400 -0.005 0.000 2.074 46 K HA -0.198 4.121 4.320 -0.000 0.000 0.209 46 K C 1.896 178.488 176.600 -0.013 0.000 1.048 46 K CA 1.361 57.645 56.287 -0.005 0.000 0.926 46 K CB -0.075 32.429 32.500 0.006 0.000 0.713 46 K HN 0.175 nan 8.250 nan 0.000 0.444 47 K N 0.384 120.783 120.400 -0.002 0.000 2.025 47 K HA -0.081 4.238 4.320 -0.000 0.000 0.207 47 K C 2.141 178.728 176.600 -0.023 0.000 1.049 47 K CA 0.995 57.288 56.287 0.009 0.000 0.933 47 K CB -0.723 31.792 32.500 0.026 0.000 0.714 47 K HN -0.003 nan 8.250 nan 0.000 0.438 48 V N 2.029 121.927 119.914 -0.027 0.000 2.343 48 V HA -0.194 3.926 4.120 -0.000 0.000 0.247 48 V C 2.453 178.497 176.094 -0.085 0.000 1.051 48 V CA 1.371 63.646 62.300 -0.042 0.000 1.036 48 V CB -0.551 31.258 31.823 -0.022 0.000 0.654 48 V HN 0.166 nan 8.190 nan 0.000 0.451 49 L N 0.141 121.317 121.223 -0.078 0.000 2.042 49 L HA -0.190 4.149 4.340 -0.000 0.000 0.210 49 L C 2.747 179.498 176.870 -0.199 0.000 1.076 49 L CA 1.628 56.408 54.840 -0.100 0.000 0.749 49 L CB -0.835 41.188 42.059 -0.059 0.000 0.893 49 L HN 0.380 nan 8.230 nan 0.000 0.432 50 A N 0.342 123.019 122.820 -0.238 0.000 1.873 50 A HA -0.176 4.144 4.320 -0.000 0.000 0.215 50 A C 2.217 179.135 177.584 -1.110 0.000 1.186 50 A CA 1.434 53.167 52.037 -0.506 0.000 0.616 50 A CB -0.647 18.224 19.000 -0.216 0.000 0.823 50 A HN 0.311 nan 8.150 nan 0.000 0.442 51 I N 0.063 120.282 120.570 -0.584 0.000 2.194 51 I HA -0.320 3.850 4.170 -0.000 0.000 0.246 51 I C 2.387 178.326 176.117 -0.296 0.000 1.093 51 I CA 1.754 62.846 61.300 -0.346 0.000 1.355 51 I CB -0.422 37.553 38.000 -0.041 0.000 1.046 51 I HN 0.465 nan 8.210 nan 0.000 0.413 52 N N 1.195 119.752 118.700 -0.238 0.000 2.184 52 N HA -0.227 4.513 4.740 -0.000 0.000 0.190 52 N C 1.717 177.129 175.510 -0.164 0.000 1.011 52 N CA 1.572 54.528 53.050 -0.156 0.000 0.867 52 N CB -0.063 38.353 38.487 -0.119 0.000 0.993 52 N HN 0.234 nan 8.380 nan 0.000 0.433 53 R N -1.508 118.823 120.500 -0.281 0.000 2.317 53 R HA 0.080 4.420 4.340 -0.000 0.000 0.208 53 R C 0.295 176.586 176.300 -0.015 0.000 0.914 53 R CA 0.167 56.163 56.100 -0.174 0.000 1.060 53 R CB 0.248 30.436 30.300 -0.186 0.000 1.015 53 R HN 0.341 nan 8.270 nan 0.000 0.498 54 Y N -0.931 119.371 120.300 0.003 0.000 2.467 54 Y HA 0.105 4.655 4.550 -0.000 0.000 0.250 54 Y C 2.030 177.948 175.900 0.029 0.000 1.155 54 Y CA -0.201 57.907 58.100 0.013 0.000 1.249 54 Y CB -0.110 38.356 38.460 0.010 0.000 1.146 54 Y HN 0.000 nan 8.280 nan 0.000 0.524 55 T N -4.203 110.440 114.554 0.148 0.000 2.985 55 T HA 0.221 4.570 4.350 -0.000 0.000 0.266 55 T C 2.050 176.874 174.700 0.207 0.000 1.076 55 T CA 0.966 63.152 62.100 0.144 0.000 1.135 55 T CB -0.348 68.546 68.868 0.042 0.000 0.890 55 T HN 0.430 nan 8.240 nan 0.000 0.480 56 G N 1.421 110.304 108.800 0.138 0.000 2.159 56 G HA2 -0.208 3.752 3.960 -0.000 0.000 0.256 56 G HA3 -0.208 3.752 3.960 -0.000 0.000 0.256 56 G C 0.016 174.926 174.900 0.017 0.000 0.977 56 G CA 0.052 45.242 45.100 0.151 0.000 0.652 56 G HN 0.666 nan 8.290 nan 0.000 0.531 57 I N 0.919 121.389 120.570 -0.167 0.000 2.371 57 I HA 0.302 4.472 4.170 -0.000 0.000 0.290 57 I C 1.310 177.329 176.117 -0.164 0.000 1.028 57 I CA -0.177 60.927 61.300 -0.326 0.000 1.345 57 I CB 1.310 39.028 38.000 -0.470 0.000 1.407 57 I HN 0.114 nan 8.210 nan 0.000 0.501 58 D N 4.164 124.477 120.400 -0.145 0.000 2.197 58 D HA 0.003 4.643 4.640 -0.000 0.000 0.212 58 D C 0.213 176.445 176.300 -0.113 0.000 0.963 58 D CA 1.399 55.339 54.000 -0.101 0.000 0.864 58 D CB 0.518 41.268 40.800 -0.084 0.000 1.009 58 D HN 0.552 nan 8.370 nan 0.000 0.479 59 Q N -0.404 119.303 119.800 -0.154 0.000 2.345 59 Q HA 0.489 4.829 4.340 -0.000 0.000 0.275 59 Q C -1.094 174.812 176.000 -0.157 0.000 1.063 59 Q CA -0.751 54.966 55.803 -0.144 0.000 0.819 59 Q CB 2.807 31.446 28.738 -0.166 0.000 1.356 59 Q HN -0.043 nan 8.270 nan 0.000 0.418 60 R N 0.688 121.136 120.500 -0.087 0.000 2.562 60 R HA 0.526 4.866 4.340 -0.000 0.000 0.298 60 R C -0.791 175.525 176.300 0.027 0.000 0.961 60 R CA -0.570 55.508 56.100 -0.035 0.000 0.881 60 R CB 2.050 32.342 30.300 -0.013 0.000 1.159 60 R HN 0.504 nan 8.270 nan 0.000 0.450 61 S N 0.927 116.681 115.700 0.090 0.000 2.548 61 S HA 0.257 4.727 4.470 -0.000 0.000 0.277 61 S C -0.225 174.475 174.600 0.166 0.000 1.315 61 S CA -0.133 58.167 58.200 0.166 0.000 1.050 61 S CB 1.288 64.665 63.200 0.296 0.000 0.918 61 S HN 0.544 nan 8.310 nan 0.000 0.497 62 S N 0.858 116.662 115.700 0.174 0.000 2.556 62 S HA 0.395 4.865 4.470 -0.000 0.000 0.271 62 S C 0.537 175.245 174.600 0.180 0.000 1.135 62 S CA -0.845 57.433 58.200 0.130 0.000 0.858 62 S CB 0.571 63.816 63.200 0.074 0.000 1.114 62 S HN 0.600 nan 8.310 nan 0.000 0.468 63 I N 1.463 122.087 120.570 0.090 0.000 3.291 63 I HA 0.513 4.682 4.170 -0.000 0.000 0.279 63 I C 0.832 177.005 176.117 0.092 0.000 1.294 63 I CA 0.630 61.999 61.300 0.116 0.000 1.428 63 I CB -0.619 37.380 38.000 -0.002 0.000 1.070 63 I HN 0.560 nan 8.210 nan 0.000 0.478 64 G N 0.560 109.272 108.800 -0.147 0.000 2.687 64 G HA2 0.524 4.484 3.960 -0.000 0.000 0.291 64 G HA3 0.524 4.484 3.960 -0.000 0.000 0.291 64 G C -1.508 172.990 174.900 -0.670 0.000 1.420 64 G CA -0.545 44.216 45.100 -0.565 0.000 0.796 64 G HN 0.391 nan 8.290 nan 0.000 0.485 65 N N -1.248 117.064 118.700 -0.647 0.000 2.563 65 N HA 0.574 5.314 4.740 -0.000 0.000 0.288 65 N C -2.246 173.206 175.510 -0.097 0.000 1.246 65 N CA -1.971 50.911 53.050 -0.279 0.000 0.946 65 N CB 0.981 39.353 38.487 -0.192 0.000 1.213 65 N HN 0.087 nan 8.380 nan 0.000 0.578 66 P HA 0.024 nan 4.420 nan 0.000 0.236 66 P C -0.379 176.946 177.300 0.041 0.000 1.172 66 P CA 0.879 63.992 63.100 0.022 0.000 0.759 66 P CB 0.118 31.835 31.700 0.029 0.000 0.843 67 D N -2.868 117.540 120.400 0.014 0.000 2.339 67 D HA -0.031 4.609 4.640 -0.000 0.000 0.217 67 D C 0.547 176.857 176.300 0.018 0.000 1.050 67 D CA 0.192 54.202 54.000 0.017 0.000 0.856 67 D CB -0.391 40.406 40.800 -0.004 0.000 0.922 67 D HN 0.273 nan 8.370 nan 0.000 0.518 68 H N 1.523 120.557 119.070 -0.060 0.000 2.964 68 H HA 0.002 4.558 4.556 -0.000 0.000 0.328 68 H C -1.557 173.759 175.328 -0.020 0.000 1.030 68 H CA -0.813 55.199 56.048 -0.059 0.000 1.445 68 H CB 1.665 31.374 29.762 -0.089 0.000 1.449 68 H HN -0.140 nan 8.280 nan 0.000 0.581 69 P HA -0.136 nan 4.420 nan 0.000 0.222 69 P C 1.657 179.037 177.300 0.133 0.000 1.147 69 P CA 0.380 63.497 63.100 0.029 0.000 0.790 69 P CB 0.255 31.921 31.700 -0.056 0.000 0.780 70 L N 0.291 121.716 121.223 0.338 0.000 2.083 70 L HA -0.089 4.251 4.340 -0.000 0.000 0.209 70 L C 1.747 178.652 176.870 0.057 0.000 1.083 70 L CA 1.693 56.637 54.840 0.172 0.000 0.752 70 L CB -0.782 41.343 42.059 0.110 0.000 0.899 70 L HN -0.073 nan 8.230 nan 0.000 0.433 71 V N -3.845 116.106 119.914 0.061 0.000 3.444 71 V HA 0.270 4.390 4.120 -0.000 0.000 0.308 71 V C 0.500 176.561 176.094 -0.055 0.000 1.371 71 V CA 0.437 62.723 62.300 -0.024 0.000 1.141 71 V CB -0.879 30.937 31.823 -0.011 0.000 1.037 71 V HN 0.469 nan 8.190 nan 0.000 0.433 72 N N 0.486 119.198 118.700 0.020 0.000 2.351 72 N HA 0.283 5.023 4.740 -0.000 0.000 0.254 72 N C -0.030 175.516 175.510 0.060 0.000 1.241 72 N CA -0.318 52.794 53.050 0.103 0.000 0.883 72 N CB 0.664 39.254 38.487 0.171 0.000 1.202 72 N HN 0.502 nan 8.380 nan 0.000 0.512 73 K N 0.364 120.743 120.400 -0.034 0.000 2.102 73 K HA 0.252 4.572 4.320 -0.000 0.000 0.244 73 K C -1.515 175.057 176.600 -0.047 0.000 1.021 73 K CA -1.638 54.634 56.287 -0.024 0.000 0.913 73 K CB 0.439 32.920 32.500 -0.031 0.000 1.062 73 K HN -0.162 nan 8.250 nan 0.000 0.485 74 P HA -0.111 nan 4.420 nan 0.000 0.218 74 P C -0.406 176.859 177.300 -0.057 0.000 1.149 74 P CA 1.335 64.434 63.100 -0.001 0.000 0.817 74 P CB 0.241 31.947 31.700 0.010 0.000 0.785 75 N N -1.509 117.147 118.700 -0.072 0.000 2.471 75 N HA 0.346 5.086 4.740 -0.000 0.000 0.288 75 N C -2.731 172.708 175.510 -0.118 0.000 1.220 75 N CA -2.167 50.834 53.050 -0.081 0.000 0.893 75 N CB -0.097 38.364 38.487 -0.043 0.000 1.256 75 N HN -0.179 nan 8.380 nan 0.000 0.534 76 P HA 0.144 nan 4.420 nan 0.000 0.269 76 P C -2.346 174.918 177.300 -0.061 0.000 1.209 76 P CA -0.553 62.492 63.100 -0.091 0.000 0.776 76 P CB -0.284 31.384 31.700 -0.053 0.000 0.876 77 P HA -0.026 nan 4.420 nan 0.000 0.267 77 P C 0.010 177.295 177.300 -0.025 0.000 1.200 77 P CA 0.268 63.353 63.100 -0.025 0.000 0.772 77 P CB 0.052 31.747 31.700 -0.008 0.000 0.855 78 T N -1.399 113.141 114.554 -0.023 0.000 2.788 78 T HA 0.060 4.410 4.350 -0.000 0.000 0.287 78 T C 1.268 175.947 174.700 -0.034 0.000 1.007 78 T CA -0.548 61.529 62.100 -0.038 0.000 1.005 78 T CB 0.582 69.428 68.868 -0.037 0.000 1.012 78 T HN 0.149 nan 8.240 nan 0.000 0.530 79 V N 1.166 121.033 119.914 -0.079 0.000 2.490 79 V HA -0.110 4.009 4.120 -0.000 0.000 0.250 79 V C 2.720 178.810 176.094 -0.008 0.000 1.061 79 V CA 2.425 64.668 62.300 -0.094 0.000 1.064 79 V CB -0.957 30.706 31.823 -0.267 0.000 0.670 79 V HN 1.030 nan 8.190 nan 0.000 0.461 80 K N -0.213 120.180 120.400 -0.012 0.000 2.026 80 K HA -0.241 4.079 4.320 -0.000 0.000 0.208 80 K C 2.021 178.673 176.600 0.087 0.000 1.048 80 K CA 2.230 58.539 56.287 0.037 0.000 0.929 80 K CB -0.240 32.265 32.500 0.009 0.000 0.713 80 K HN 0.650 nan 8.250 nan 0.000 0.439 81 E N 0.642 120.873 120.200 0.051 0.000 2.153 81 E HA -0.164 4.186 4.350 -0.000 0.000 0.194 81 E C 2.113 178.755 176.600 0.071 0.000 0.988 81 E CA 1.042 57.474 56.400 0.054 0.000 0.811 81 E CB -0.041 29.677 29.700 0.029 0.000 0.746 81 E HN 0.304 nan 8.360 nan 0.000 0.466 82 L N 0.557 121.830 121.223 0.082 0.000 2.017 82 L HA -0.214 4.126 4.340 -0.000 0.000 0.208 82 L C 2.795 179.760 176.870 0.157 0.000 1.073 82 L CA 1.319 56.226 54.840 0.112 0.000 0.745 82 L CB -0.667 41.475 42.059 0.138 0.000 0.894 82 L HN 0.335 nan 8.230 nan 0.000 0.432 83 H N 0.883 120.006 119.070 0.088 0.000 2.352 83 H HA -0.192 4.364 4.556 -0.000 0.000 0.299 83 H C 1.946 177.341 175.328 0.113 0.000 1.097 83 H CA 1.995 58.099 56.048 0.094 0.000 1.311 83 H CB 0.203 29.990 29.762 0.041 0.000 1.377 83 H HN 0.452 nan 8.280 nan 0.000 0.504 84 E N -0.130 120.078 120.200 0.013 0.000 2.118 84 E HA -0.124 4.226 4.350 -0.000 0.000 0.195 84 E C 2.416 178.987 176.600 -0.048 0.000 0.992 84 E CA 1.323 57.700 56.400 -0.037 0.000 0.804 84 E CB 0.157 29.882 29.700 0.043 0.000 0.741 84 E HN 0.274 nan 8.360 nan 0.000 0.458 85 V N 0.436 120.353 119.914 0.004 0.000 2.788 85 V HA -0.138 3.981 4.120 -0.000 0.000 0.251 85 V C 1.749 177.833 176.094 -0.016 0.000 1.068 85 V CA 0.858 63.160 62.300 0.003 0.000 1.090 85 V CB -0.342 31.485 31.823 0.006 0.000 0.710 85 V HN 0.210 nan 8.190 nan 0.000 0.467 86 F N 0.356 120.219 119.950 -0.144 0.000 2.120 86 F HA -0.264 4.263 4.527 -0.000 0.000 0.300 86 F C 2.351 178.028 175.800 -0.205 0.000 1.095 86 F CA 1.945 59.843 58.000 -0.170 0.000 1.249 86 F CB -0.022 38.884 39.000 -0.157 0.000 0.995 86 F HN 0.071 nan 8.300 nan 0.000 0.480 87 M N -0.179 119.356 119.600 -0.109 0.000 2.156 87 M HA -0.101 4.378 4.480 -0.000 0.000 0.264 87 M C 2.561 178.780 176.300 -0.135 0.000 1.067 87 M CA 1.716 56.913 55.300 -0.172 0.000 1.131 87 M CB -1.769 30.651 32.600 -0.300 0.000 1.368 87 M HN 0.324 nan 8.290 nan 0.000 0.416 88 S N -0.285 115.355 115.700 -0.099 0.000 2.387 88 S HA -0.091 4.378 4.470 -0.000 0.000 0.226 88 S C 1.197 175.768 174.600 -0.049 0.000 1.026 88 S CA 1.490 59.659 58.200 -0.051 0.000 0.972 88 S CB -0.276 62.916 63.200 -0.014 0.000 0.814 88 S HN 0.403 nan 8.310 nan 0.000 0.477 89 D N 0.482 120.836 120.400 -0.076 0.000 2.454 89 D HA 0.301 4.940 4.640 -0.000 0.000 0.219 89 D C 1.919 178.127 176.300 -0.153 0.000 1.081 89 D CA 0.627 54.586 54.000 -0.068 0.000 0.867 89 D CB -0.035 40.752 40.800 -0.022 0.000 1.054 89 D HN 0.457 nan 8.370 nan 0.000 0.500 90 G N 0.432 109.053 108.800 -0.298 0.000 2.471 90 G HA2 -0.098 3.861 3.960 -0.000 0.000 0.211 90 G HA3 -0.098 3.861 3.960 -0.000 0.000 0.211 90 G C 1.677 176.328 174.900 -0.414 0.000 1.194 90 G CA 0.218 45.016 45.100 -0.505 0.000 0.816 90 G HN 0.123 nan 8.290 nan 0.000 0.545 91 V N 2.404 122.107 119.914 -0.351 0.000 2.317 91 V HA -0.162 3.958 4.120 -0.000 0.000 0.251 91 V C 0.263 176.322 176.094 -0.058 0.000 1.065 91 V CA 2.481 64.704 62.300 -0.128 0.000 1.049 91 V CB -1.184 30.638 31.823 -0.002 0.000 0.651 91 V HN 0.295 nan 8.190 nan 0.000 0.450 92 P HA -0.137 nan 4.420 nan 0.000 0.218 92 P C 1.852 179.130 177.300 -0.038 0.000 1.148 92 P CA 1.351 64.432 63.100 -0.031 0.000 0.822 92 P CB -0.083 31.602 31.700 -0.025 0.000 0.784 93 L N -1.058 120.122 121.223 -0.073 0.000 2.046 93 L HA -0.164 4.176 4.340 -0.000 0.000 0.208 93 L C 2.483 179.318 176.870 -0.058 0.000 1.077 93 L CA 1.722 56.518 54.840 -0.073 0.000 0.747 93 L CB -1.322 40.670 42.059 -0.111 0.000 0.896 93 L HN -0.039 nan 8.230 nan 0.000 0.432 94 A N -0.353 122.435 122.820 -0.053 0.000 1.969 94 A HA -0.098 4.222 4.320 -0.000 0.000 0.218 94 A C 2.321 179.924 177.584 0.033 0.000 1.169 94 A CA 1.428 53.472 52.037 0.013 0.000 0.635 94 A CB -0.642 18.415 19.000 0.095 0.000 0.810 94 A HN 0.206 nan 8.150 nan 0.000 0.445 95 V N -0.073 119.855 119.914 0.024 0.000 2.358 95 V HA -0.205 3.915 4.120 -0.000 0.000 0.246 95 V C 2.565 178.662 176.094 0.006 0.000 1.047 95 V CA 2.288 64.601 62.300 0.021 0.000 1.035 95 V CB -0.651 31.185 31.823 0.022 0.000 0.658 95 V HN 0.684 nan 8.190 nan 0.000 0.452 96 E N 0.805 121.003 120.200 -0.003 0.000 2.106 96 E HA -0.134 4.216 4.350 -0.000 0.000 0.192 96 E C 2.089 178.683 176.600 -0.010 0.000 0.984 96 E CA 1.522 57.918 56.400 -0.007 0.000 0.806 96 E CB -0.410 29.285 29.700 -0.009 0.000 0.750 96 E HN 0.509 nan 8.360 nan 0.000 0.458 97 A N -0.127 122.684 122.820 -0.015 0.000 1.873 97 A HA -0.132 4.188 4.320 -0.000 0.000 0.215 97 A C 2.410 179.989 177.584 -0.008 0.000 1.186 97 A CA 1.786 53.813 52.037 -0.017 0.000 0.616 97 A CB -0.749 18.237 19.000 -0.023 0.000 0.823 97 A HN 0.295 nan 8.150 nan 0.000 0.442 98 S N -0.227 115.474 115.700 0.002 0.000 2.359 98 S HA -0.190 4.280 4.470 -0.000 0.000 0.224 98 S C 2.054 176.648 174.600 -0.010 0.000 1.035 98 S CA 1.417 59.616 58.200 -0.002 0.000 1.018 98 S CB -0.381 62.824 63.200 0.009 0.000 0.876 98 S HN 0.567 nan 8.310 nan 0.000 0.448 99 R N 1.117 121.613 120.500 -0.007 0.000 2.091 99 R HA -0.062 4.278 4.340 -0.000 0.000 0.238 99 R C 2.286 178.579 176.300 -0.012 0.000 1.136 99 R CA 1.327 57.421 56.100 -0.009 0.000 0.959 99 R CB -0.193 30.104 30.300 -0.006 0.000 0.856 99 R HN 0.395 nan 8.270 nan 0.000 0.437 100 K N -0.359 120.034 120.400 -0.012 0.000 2.167 100 K HA 0.009 4.329 4.320 -0.000 0.000 0.203 100 K C 2.071 178.660 176.600 -0.019 0.000 1.052 100 K CA 0.973 57.253 56.287 -0.012 0.000 0.956 100 K CB 0.042 32.537 32.500 -0.008 0.000 0.735 100 K HN 0.120 nan 8.250 nan 0.000 0.451 101 A N 1.448 124.252 122.820 -0.025 0.000 1.873 101 A HA -0.132 4.188 4.320 -0.000 0.000 0.215 101 A C 2.146 179.708 177.584 -0.037 0.000 1.186 101 A CA 1.317 53.331 52.037 -0.039 0.000 0.616 101 A CB -0.399 18.568 19.000 -0.056 0.000 0.823 101 A HN 0.137 nan 8.150 nan 0.000 0.442 102 M N -0.441 119.141 119.600 -0.030 0.000 2.117 102 M HA -0.125 4.355 4.480 -0.000 0.000 0.262 102 M C 2.560 178.846 176.300 -0.022 0.000 1.065 102 M CA 1.411 56.695 55.300 -0.026 0.000 1.114 102 M CB -0.464 32.123 32.600 -0.022 0.000 1.361 102 M HN 0.473 nan 8.290 nan 0.000 0.408 103 A N 0.290 123.099 122.820 -0.019 0.000 1.865 103 A HA -0.256 4.064 4.320 -0.000 0.000 0.217 103 A C 1.972 179.546 177.584 -0.018 0.000 1.191 103 A CA 2.200 54.228 52.037 -0.016 0.000 0.623 103 A CB -0.961 18.032 19.000 -0.012 0.000 0.826 103 A HN 0.574 nan 8.150 nan 0.000 0.444 104 E N -0.225 119.963 120.200 -0.021 0.000 2.070 104 E HA -0.177 4.172 4.350 -0.000 0.000 0.197 104 E C 1.870 178.453 176.600 -0.028 0.000 1.004 104 E CA 1.312 57.697 56.400 -0.025 0.000 0.805 104 E CB -0.284 29.400 29.700 -0.027 0.000 0.744 104 E HN 0.543 nan 8.360 nan 0.000 0.451 105 A N 0.498 123.300 122.820 -0.030 0.000 2.239 105 A HA 0.004 4.324 4.320 -0.000 0.000 0.209 105 A C 0.509 178.079 177.584 -0.024 0.000 1.171 105 A CA 0.552 52.571 52.037 -0.030 0.000 0.768 105 A CB -0.344 18.635 19.000 -0.034 0.000 0.790 105 A HN 0.329 nan 8.150 nan 0.000 0.478 106 R N -1.401 119.086 120.500 -0.021 0.000 3.251 106 R HA -0.160 4.180 4.340 -0.000 0.000 0.249 106 R C -1.141 175.150 176.300 -0.015 0.000 0.949 106 R CA 0.588 56.678 56.100 -0.016 0.000 0.645 106 R CB -2.031 28.259 30.300 -0.015 0.000 1.065 106 R HN 0.514 nan 8.270 nan 0.000 0.452 107 L N 0.490 121.703 121.223 -0.016 0.000 2.329 107 L HA 0.573 4.912 4.340 -0.000 0.000 0.279 107 L C 0.870 177.732 176.870 -0.013 0.000 1.014 107 L CA -1.254 53.578 54.840 -0.014 0.000 0.814 107 L CB 1.790 43.839 42.059 -0.016 0.000 1.257 107 L HN -0.037 nan 8.230 nan 0.000 0.424 108 V N 0.237 120.145 119.914 -0.011 0.000 2.863 108 V HA 0.380 4.500 4.120 -0.000 0.000 0.307 108 V C -1.970 174.116 176.094 -0.013 0.000 1.061 108 V CA -1.350 60.943 62.300 -0.011 0.000 1.024 108 V CB 0.864 32.682 31.823 -0.009 0.000 1.049 108 V HN 0.558 nan 8.190 nan 0.000 0.471 109 P HA -0.135 nan 4.420 nan 0.000 0.215 109 P C 1.581 178.870 177.300 -0.018 0.000 1.157 109 P CA 2.467 65.556 63.100 -0.018 0.000 0.874 109 P CB -0.065 31.623 31.700 -0.021 0.000 0.790 110 A N -0.594 122.216 122.820 -0.015 0.000 2.186 110 A HA -0.242 4.078 4.320 -0.000 0.000 0.219 110 A C 2.055 179.634 177.584 -0.009 0.000 1.159 110 A CA 1.422 53.451 52.037 -0.013 0.000 0.680 110 A CB -1.112 17.881 19.000 -0.011 0.000 0.787 110 A HN 0.293 nan 8.150 nan 0.000 0.467 111 Q N -0.738 119.058 119.800 -0.007 0.000 2.424 111 Q HA 0.138 4.478 4.340 -0.000 0.000 0.204 111 Q C -0.260 175.741 176.000 0.003 0.000 0.933 111 Q CA -0.071 55.733 55.803 0.000 0.000 0.929 111 Q CB 0.232 28.969 28.738 -0.001 0.000 1.037 111 Q HN 0.487 nan 8.270 nan 0.000 0.511 112 I N 1.592 122.158 120.570 -0.006 0.000 2.416 112 I HA -0.019 4.151 4.170 -0.000 0.000 0.288 112 I C 1.504 177.616 176.117 -0.010 0.000 1.051 112 I CA 0.519 61.816 61.300 -0.005 0.000 1.375 112 I CB 1.058 39.049 38.000 -0.015 0.000 1.407 112 I HN 0.138 nan 8.210 nan 0.000 0.516 113 T N 2.494 117.056 114.554 0.012 0.000 3.034 113 T HA 0.148 4.497 4.350 -0.000 0.000 0.248 113 T C 0.489 175.059 174.700 -0.216 0.000 1.040 113 T CA 0.387 62.456 62.100 -0.051 0.000 1.107 113 T CB 0.114 69.000 68.868 0.029 0.000 0.932 113 T HN 0.573 nan 8.240 nan 0.000 0.474 114 H N -0.238 118.765 119.070 -0.111 0.000 2.894 114 H HA 0.743 5.299 4.556 -0.000 0.000 0.368 114 H C -1.176 174.103 175.328 -0.083 0.000 1.181 114 H CA -1.084 54.900 56.048 -0.106 0.000 1.146 114 H CB 1.745 31.420 29.762 -0.144 0.000 1.839 114 H HN 0.172 nan 8.280 nan 0.000 0.557 115 M N 1.989 121.627 119.600 0.063 0.000 2.213 115 M HA 0.467 4.946 4.480 -0.000 0.000 0.286 115 M C -1.841 174.462 176.300 0.004 0.000 1.008 115 M CA -0.873 54.434 55.300 0.011 0.000 0.937 115 M CB 1.215 33.801 32.600 -0.023 0.000 1.600 115 M HN 0.376 nan 8.290 nan 0.000 0.450 116 V N 3.704 123.617 119.914 -0.003 0.000 2.334 116 V HA 0.519 4.639 4.120 -0.000 0.000 0.281 116 V C -0.277 175.827 176.094 0.015 0.000 1.016 116 V CA -0.399 61.898 62.300 -0.005 0.000 0.832 116 V CB 1.260 33.069 31.823 -0.023 0.000 0.999 116 V HN 0.902 nan 8.190 nan 0.000 0.439 117 S N 2.765 118.465 115.700 0.000 0.000 2.607 117 S HA 0.821 5.290 4.470 -0.000 0.000 0.303 117 S C -0.153 174.495 174.600 0.080 0.000 1.086 117 S CA -0.535 57.683 58.200 0.031 0.000 0.995 117 S CB 2.179 65.300 63.200 -0.132 0.000 1.084 117 S HN 0.809 nan 8.310 nan 0.000 0.507 118 T N 0.600 115.259 114.554 0.175 0.000 2.923 118 T HA 0.703 5.053 4.350 -0.000 0.000 0.311 118 T C -1.314 173.520 174.700 0.223 0.000 1.183 118 T CA -0.303 61.886 62.100 0.149 0.000 1.020 118 T CB 1.844 70.722 68.868 0.017 0.000 1.165 118 T HN 0.618 nan 8.240 nan 0.000 0.482 119 T N 0.735 115.368 114.554 0.132 0.000 2.840 119 T HA 0.461 4.811 4.350 -0.000 0.000 0.317 119 T C 0.389 174.954 174.700 -0.224 0.000 1.401 119 T CA -0.145 61.940 62.100 -0.025 0.000 1.028 119 T CB 0.549 69.413 68.868 -0.006 0.000 1.317 119 T HN 0.997 nan 8.240 nan 0.000 0.495 120 C N 0.906 119.978 119.300 -0.380 0.000 3.385 120 C HA 0.447 4.907 4.460 -0.000 0.000 0.288 120 C C 1.541 175.936 174.990 -0.991 0.000 1.429 120 C CA 0.520 59.145 59.018 -0.655 0.000 1.778 120 C CB -1.577 25.839 27.740 -0.539 0.000 2.503 120 C HN 0.931 nan 8.230 nan 0.000 0.646 121 T N -3.235 110.873 114.554 -0.743 0.000 3.215 121 T HA 0.375 4.725 4.350 -0.000 0.000 0.271 121 T C -0.708 173.510 174.700 -0.802 0.000 1.012 121 T CA 0.203 61.873 62.100 -0.716 0.000 0.899 121 T CB -0.087 68.651 68.868 -0.217 0.000 1.089 121 T HN 0.486 nan 8.240 nan 0.000 0.552 122 D N 0.290 120.091 120.400 -1.000 0.000 2.736 122 D HA 0.517 5.157 4.640 -0.000 0.000 0.223 122 D C -1.657 174.553 176.300 -0.150 0.000 1.231 122 D CA -0.303 53.279 54.000 -0.697 0.000 0.818 122 D CB 2.332 42.148 40.800 -1.640 0.000 1.587 122 D HN 0.083 nan 8.370 nan 0.000 0.463 123 S N 1.553 117.390 115.700 0.228 0.000 2.532 123 S HA 0.922 5.392 4.470 -0.000 0.000 0.299 123 S C -1.504 173.100 174.600 0.007 0.000 1.105 123 S CA -0.104 58.199 58.200 0.173 0.000 1.018 123 S CB 0.925 64.300 63.200 0.292 0.000 1.021 123 S HN 0.772 nan 8.310 nan 0.000 0.483 124 A N 4.044 126.862 122.820 -0.004 0.000 2.605 124 A HA 0.755 5.075 4.320 -0.000 0.000 0.294 124 A C -1.821 175.772 177.584 0.014 0.000 1.062 124 A CA -1.031 50.978 52.037 -0.047 0.000 0.682 124 A CB 1.339 20.385 19.000 0.077 0.000 1.278 124 A HN 0.774 nan 8.150 nan 0.000 0.410 125 N N 1.777 120.478 118.700 0.002 0.000 2.519 125 N HA 0.638 5.378 4.740 -0.000 0.000 0.286 125 N C -2.869 172.667 175.510 0.043 0.000 1.079 125 N CA -0.790 52.270 53.050 0.017 0.000 0.878 125 N CB 1.410 39.883 38.487 -0.022 0.000 1.375 125 N HN 0.559 nan 8.380 nan 0.000 0.514 126 P HA 0.290 nan 4.420 nan 0.000 0.272 126 P C 0.591 178.023 177.300 0.219 0.000 1.230 126 P CA -0.523 62.602 63.100 0.041 0.000 0.788 126 P CB 0.423 32.009 31.700 -0.190 0.000 0.949 127 G N -0.075 108.824 108.800 0.165 0.000 2.667 127 G HA2 0.104 4.064 3.960 -0.000 0.000 0.250 127 G HA3 0.104 4.064 3.960 -0.000 0.000 0.250 127 G C 0.471 175.596 174.900 0.374 0.000 1.212 127 G CA -0.350 44.882 45.100 0.220 0.000 0.874 127 G HN 0.689 nan 8.290 nan 0.000 0.561 128 Y N -0.581 119.929 120.300 0.349 0.000 2.352 128 Y HA -0.141 4.408 4.550 -0.000 0.000 0.292 128 Y C 2.166 178.287 175.900 0.368 0.000 1.136 128 Y CA 1.559 59.912 58.100 0.422 0.000 1.227 128 Y CB -0.280 38.461 38.460 0.468 0.000 0.991 128 Y HN 0.459 nan 8.280 nan 0.000 0.545 129 D N -0.126 119.967 120.400 -0.513 0.000 2.182 129 D HA -0.323 4.317 4.640 -0.000 0.000 0.201 129 D C 1.984 178.240 176.300 -0.072 0.000 0.986 129 D CA 2.018 55.767 54.000 -0.417 0.000 0.847 129 D CB -1.160 39.384 40.800 -0.427 0.000 0.942 129 D HN 0.675 nan 8.370 nan 0.000 0.467 130 H N -0.087 118.949 119.070 -0.057 0.000 2.353 130 H HA -0.166 4.390 4.556 -0.000 0.000 0.300 130 H C 1.560 176.805 175.328 -0.139 0.000 1.090 130 H CA 1.389 57.362 56.048 -0.125 0.000 1.327 130 H CB -0.249 29.379 29.762 -0.223 0.000 1.383 130 H HN 0.232 nan 8.280 nan 0.000 0.508 131 Y N 0.019 120.371 120.300 0.087 0.000 2.263 131 Y HA -0.143 4.407 4.550 -0.000 0.000 0.292 131 Y C 3.011 178.910 175.900 -0.001 0.000 1.130 131 Y CA 0.930 59.067 58.100 0.061 0.000 1.179 131 Y CB -0.271 38.290 38.460 0.168 0.000 0.998 131 Y HN -0.021 nan 8.280 nan 0.000 0.532 132 V N 0.018 120.037 119.914 0.175 0.000 2.287 132 V HA -0.358 3.762 4.120 -0.000 0.000 0.248 132 V C 2.530 178.617 176.094 -0.011 0.000 1.053 132 V CA 1.863 64.217 62.300 0.090 0.000 1.027 132 V CB -1.397 30.491 31.823 0.108 0.000 0.646 132 V HN 0.470 nan 8.190 nan 0.000 0.447 133 A N -0.167 122.603 122.820 -0.084 0.000 1.902 133 A HA -0.273 4.047 4.320 -0.000 0.000 0.217 133 A C 2.350 179.838 177.584 -0.160 0.000 1.181 133 A CA 2.235 54.196 52.037 -0.127 0.000 0.623 133 A CB -0.514 18.388 19.000 -0.163 0.000 0.818 133 A HN 0.554 nan 8.150 nan 0.000 0.443 134 K N -0.233 120.014 120.400 -0.255 0.000 2.026 134 K HA -0.184 4.136 4.320 -0.000 0.000 0.208 134 K C 1.940 178.486 176.600 -0.091 0.000 1.048 134 K CA 1.689 57.845 56.287 -0.219 0.000 0.929 134 K CB -0.194 32.129 32.500 -0.294 0.000 0.713 134 K HN 0.588 nan 8.250 nan 0.000 0.439 135 E N 0.370 120.544 120.200 -0.044 0.000 2.106 135 E HA -0.157 4.192 4.350 -0.000 0.000 0.192 135 E C 1.977 178.569 176.600 -0.014 0.000 0.984 135 E CA 1.024 57.420 56.400 -0.006 0.000 0.806 135 E CB 0.009 29.726 29.700 0.027 0.000 0.750 135 E HN 0.365 nan 8.360 nan 0.000 0.458 136 L N -0.582 120.626 121.223 -0.024 0.000 2.291 136 L HA 0.020 4.360 4.340 -0.000 0.000 0.214 136 L C 1.425 178.277 176.870 -0.030 0.000 1.120 136 L CA 0.606 55.432 54.840 -0.023 0.000 0.799 136 L CB -0.149 41.896 42.059 -0.024 0.000 0.925 136 L HN 0.277 nan 8.230 nan 0.000 0.446 137 G N 0.537 109.311 108.800 -0.043 0.000 2.149 137 G HA2 -0.241 3.719 3.960 -0.000 0.000 0.235 137 G HA3 -0.241 3.719 3.960 -0.000 0.000 0.235 137 G C 0.192 175.065 174.900 -0.045 0.000 1.018 137 G CA -0.267 44.808 45.100 -0.041 0.000 0.728 137 G HN 0.184 nan 8.290 nan 0.000 0.508 138 L N 0.415 121.603 121.223 -0.057 0.000 2.476 138 L HA 0.419 4.759 4.340 -0.000 0.000 0.264 138 L C 1.657 178.493 176.870 -0.055 0.000 1.224 138 L CA 0.180 54.987 54.840 -0.054 0.000 0.821 138 L CB 0.573 42.596 42.059 -0.061 0.000 1.101 138 L HN 0.333 nan 8.230 nan 0.000 0.488 139 S N 0.300 115.973 115.700 -0.046 0.000 2.558 139 S HA -0.074 4.396 4.470 -0.000 0.000 0.287 139 S C 0.867 175.440 174.600 -0.045 0.000 1.321 139 S CA -0.247 57.928 58.200 -0.041 0.000 1.048 139 S CB 0.434 63.611 63.200 -0.039 0.000 0.844 139 S HN 0.743 nan 8.310 nan 0.000 0.512 140 D N 3.314 123.693 120.400 -0.035 0.000 2.347 140 D HA -0.040 4.600 4.640 -0.000 0.000 0.215 140 D C 1.236 177.521 176.300 -0.027 0.000 0.976 140 D CA 0.653 54.636 54.000 -0.028 0.000 0.884 140 D CB -0.109 40.680 40.800 -0.019 0.000 0.915 140 D HN 0.538 nan 8.370 nan 0.000 0.526 141 R N -0.219 120.261 120.500 -0.033 0.000 2.359 141 R HA 0.192 4.532 4.340 -0.000 0.000 0.231 141 R C 0.246 176.510 176.300 -0.060 0.000 0.913 141 R CA -0.668 55.409 56.100 -0.039 0.000 1.075 141 R CB 0.062 30.342 30.300 -0.034 0.000 1.087 141 R HN 0.149 nan 8.270 nan 0.000 0.515 142 L N 2.655 123.840 121.223 -0.064 0.000 2.601 142 L HA -0.077 4.263 4.340 -0.000 0.000 0.277 142 L C -0.046 176.767 176.870 -0.096 0.000 1.219 142 L CA 0.880 55.668 54.840 -0.086 0.000 0.915 142 L CB 0.282 42.301 42.059 -0.068 0.000 1.160 142 L HN 0.064 nan 8.230 nan 0.000 0.494 143 E N 5.968 126.069 120.200 -0.165 0.000 2.194 143 E HA 0.246 4.595 4.350 -0.000 0.000 0.284 143 E C -0.722 175.846 176.600 -0.054 0.000 1.035 143 E CA -0.379 55.940 56.400 -0.134 0.000 0.836 143 E CB 0.820 30.370 29.700 -0.249 0.000 1.070 143 E HN 0.487 nan 8.360 nan 0.000 0.401 144 K N 1.861 122.246 120.400 -0.023 0.000 2.270 144 K HA 0.508 4.828 4.320 -0.000 0.000 0.255 144 K C -1.043 175.556 176.600 -0.002 0.000 0.936 144 K CA -0.800 55.480 56.287 -0.012 0.000 0.809 144 K CB 2.284 34.771 32.500 -0.022 0.000 1.131 144 K HN 0.174 nan 8.250 nan 0.000 0.427 145 V N 3.865 123.777 119.914 -0.003 0.000 2.443 145 V HA 0.261 4.380 4.120 -0.000 0.000 0.293 145 V C -1.145 174.941 176.094 -0.014 0.000 1.021 145 V CA -0.883 61.415 62.300 -0.002 0.000 0.848 145 V CB 1.484 33.308 31.823 0.003 0.000 0.998 145 V HN 0.532 nan 8.190 nan 0.000 0.424 146 L N 6.864 128.082 121.223 -0.009 0.000 2.277 146 L HA 0.563 4.903 4.340 -0.000 0.000 0.284 146 L C -0.405 176.491 176.870 0.043 0.000 1.028 146 L CA 0.166 55.007 54.840 0.002 0.000 0.835 146 L CB 0.831 42.885 42.059 -0.007 0.000 1.215 146 L HN 0.516 nan 8.230 nan 0.000 0.425 147 L N 5.173 126.425 121.223 0.049 0.000 2.397 147 L HA 0.331 4.671 4.340 -0.000 0.000 0.271 147 L C 0.046 176.982 176.870 0.109 0.000 1.148 147 L CA -0.103 54.770 54.840 0.055 0.000 0.825 147 L CB 0.524 42.590 42.059 0.012 0.000 1.117 147 L HN 0.616 nan 8.230 nan 0.000 0.456 148 H N 1.024 120.083 119.070 -0.018 0.000 2.894 148 H HA 0.339 4.895 4.556 -0.000 0.000 0.368 148 H C 0.598 175.907 175.328 -0.032 0.000 1.181 148 H CA 0.336 56.367 56.048 -0.029 0.000 1.146 148 H CB 2.390 32.148 29.762 -0.007 0.000 1.839 148 H HN 0.663 nan 8.280 nan 0.000 0.557 149 G N 2.109 110.675 108.800 -0.389 0.000 2.176 149 G HA2 -0.260 3.699 3.960 -0.000 0.000 0.253 149 G HA3 -0.260 3.699 3.960 -0.000 0.000 0.253 149 G C 0.847 175.660 174.900 -0.145 0.000 0.979 149 G CA 0.695 45.678 45.100 -0.195 0.000 0.641 149 G HN 0.658 nan 8.290 nan 0.000 0.530 150 I N -1.803 118.668 120.570 -0.165 0.000 4.181 150 I HA 0.564 4.734 4.170 -0.000 0.000 0.331 150 I C 1.404 177.440 176.117 -0.136 0.000 1.312 150 I CA 0.278 61.509 61.300 -0.115 0.000 1.146 150 I CB 0.157 38.103 38.000 -0.091 0.000 1.074 150 I HN 1.150 nan 8.210 nan 0.000 0.402 154 G N 2.261 110.932 108.800 -0.215 0.000 2.513 154 G HA2 -0.016 3.944 3.960 -0.000 0.000 0.219 154 G HA3 -0.016 3.944 3.960 -0.000 0.000 0.219 154 G C 1.394 176.154 174.900 -0.233 0.000 1.160 154 G CA 1.357 46.342 45.100 -0.191 0.000 0.767 154 G HN 0.948 nan 8.290 nan 0.000 0.571 155 G N 0.729 109.309 108.800 -0.366 0.000 2.480 155 G HA2 -0.163 3.796 3.960 -0.000 0.000 0.216 155 G HA3 -0.163 3.796 3.960 -0.000 0.000 0.216 155 G C 1.784 176.453 174.900 -0.385 0.000 1.200 155 G CA 0.865 45.593 45.100 -0.618 0.000 0.782 155 G HN 0.431 nan 8.290 nan 0.000 0.554 156 L N 0.586 121.648 121.223 -0.268 0.000 2.313 156 L HA 0.111 4.450 4.340 -0.000 0.000 0.214 156 L C 3.314 180.108 176.870 -0.126 0.000 1.119 156 L CA 0.585 55.343 54.840 -0.137 0.000 0.809 156 L CB -0.282 41.699 42.059 -0.130 0.000 0.933 156 L HN 0.325 nan 8.230 nan 0.000 0.449 157 A N 0.421 123.159 122.820 -0.137 0.000 1.898 157 A HA -0.124 4.196 4.320 -0.000 0.000 0.216 157 A C 2.565 180.081 177.584 -0.113 0.000 1.181 157 A CA 1.593 53.559 52.037 -0.118 0.000 0.620 157 A CB -0.548 18.392 19.000 -0.101 0.000 0.819 157 A HN 0.359 nan 8.150 nan 0.000 0.442 158 A N -0.444 122.326 122.820 -0.083 0.000 1.902 158 A HA -0.045 4.275 4.320 -0.000 0.000 0.217 158 A C 2.140 179.697 177.584 -0.045 0.000 1.181 158 A CA 1.739 53.753 52.037 -0.039 0.000 0.623 158 A CB -0.650 18.363 19.000 0.022 0.000 0.818 158 A HN 0.683 nan 8.150 nan 0.000 0.443 159 L N -0.039 121.186 121.223 0.003 0.000 2.046 159 L HA -0.139 4.201 4.340 -0.000 0.000 0.208 159 L C 2.485 179.190 176.870 -0.276 0.000 1.077 159 L CA 2.519 57.328 54.840 -0.052 0.000 0.747 159 L CB -0.566 41.529 42.059 0.059 0.000 0.896 159 L HN 0.495 nan 8.230 nan 0.000 0.432 160 R N -1.370 118.912 120.500 -0.362 0.000 2.075 160 R HA -0.145 4.195 4.340 -0.000 0.000 0.232 160 R C 2.005 177.968 176.300 -0.562 0.000 1.126 160 R CA 1.965 57.646 56.100 -0.698 0.000 0.963 160 R CB -0.468 29.489 30.300 -0.572 0.000 0.858 160 R HN 0.420 nan 8.270 nan 0.000 0.435 161 T N 0.877 115.244 114.554 -0.311 0.000 2.674 161 T HA -0.127 4.223 4.350 -0.000 0.000 0.265 161 T C 1.907 176.474 174.700 -0.222 0.000 1.039 161 T CA 1.450 63.424 62.100 -0.210 0.000 1.150 161 T CB -0.452 68.341 68.868 -0.124 0.000 0.864 161 T HN 0.473 nan 8.240 nan 0.000 0.427 162 A N 1.628 124.318 122.820 -0.217 0.000 1.917 162 A HA -0.018 4.301 4.320 -0.000 0.000 0.219 162 A C 2.648 180.061 177.584 -0.285 0.000 1.182 162 A CA 2.152 54.050 52.037 -0.232 0.000 0.633 162 A CB -1.196 17.695 19.000 -0.182 0.000 0.819 162 A HN 0.544 nan 8.150 nan 0.000 0.448 163 A N 0.116 122.714 122.820 -0.371 0.000 1.877 163 A HA -0.200 4.120 4.320 -0.000 0.000 0.216 163 A C 1.924 179.357 177.584 -0.251 0.000 1.186 163 A CA 1.777 53.573 52.037 -0.401 0.000 0.620 163 A CB -0.629 17.848 19.000 -0.872 0.000 0.822 163 A HN 0.565 nan 8.150 nan 0.000 0.443 164 N N 0.335 118.886 118.700 -0.247 0.000 2.166 164 N HA -0.099 4.641 4.740 -0.000 0.000 0.186 164 N C 1.645 177.111 175.510 -0.074 0.000 1.019 164 N CA 1.383 54.389 53.050 -0.073 0.000 0.856 164 N CB -0.540 37.918 38.487 -0.048 0.000 0.993 164 N HN 0.528 nan 8.380 nan 0.000 0.426 165 L N -0.057 121.072 121.223 -0.157 0.000 2.083 165 L HA -0.135 4.204 4.340 -0.000 0.000 0.209 165 L C 2.407 179.105 176.870 -0.287 0.000 1.083 165 L CA 0.716 55.422 54.840 -0.224 0.000 0.752 165 L CB -0.505 41.334 42.059 -0.365 0.000 0.899 165 L HN 0.199 nan 8.230 nan 0.000 0.433 166 C N -0.036 119.104 119.300 -0.266 0.000 2.429 166 C HA -0.129 4.331 4.460 -0.000 0.000 0.277 166 C C 2.750 177.725 174.990 -0.025 0.000 1.262 166 C CA 0.556 59.467 59.018 -0.178 0.000 1.733 166 C CB -0.686 26.974 27.740 -0.134 0.000 2.010 166 C HN 0.432 nan 8.230 nan 0.000 0.483 167 L N 0.493 121.718 121.223 0.003 0.000 2.217 167 L HA 0.002 4.341 4.340 -0.000 0.000 0.211 167 L C 2.756 179.670 176.870 0.074 0.000 1.107 167 L CA 1.413 56.288 54.840 0.058 0.000 0.783 167 L CB -1.071 41.041 42.059 0.088 0.000 0.919 167 L HN 0.503 nan 8.230 nan 0.000 0.442 168 G N -1.118 107.728 108.800 0.076 0.000 2.446 168 G HA2 -0.263 3.697 3.960 -0.000 0.000 0.217 168 G HA3 -0.263 3.697 3.960 -0.000 0.000 0.217 168 G C 1.413 176.421 174.900 0.180 0.000 1.168 168 G CA 0.601 45.771 45.100 0.117 0.000 0.771 168 G HN 0.433 nan 8.290 nan 0.000 0.551 169 H N -0.191 118.902 119.070 0.037 0.000 2.423 169 H HA -0.043 4.513 4.556 -0.000 0.000 0.297 169 H C 2.901 178.249 175.328 0.033 0.000 1.075 169 H CA 1.259 57.340 56.048 0.054 0.000 1.342 169 H CB 0.213 30.027 29.762 0.088 0.000 1.395 169 H HN 0.301 nan 8.280 nan 0.000 0.530 170 T N 0.620 115.256 114.554 0.137 0.000 2.746 170 T HA -0.148 4.202 4.350 -0.000 0.000 0.267 170 T C 2.278 177.007 174.700 0.049 0.000 1.039 170 T CA 0.986 63.132 62.100 0.076 0.000 1.142 170 T CB -0.354 68.552 68.868 0.063 0.000 0.866 170 T HN 0.422 nan 8.240 nan 0.000 0.444 171 A N 1.554 124.405 122.820 0.050 0.000 2.024 171 A HA -0.102 4.217 4.320 -0.000 0.000 0.220 171 A C 2.205 179.796 177.584 0.012 0.000 1.164 171 A CA 1.174 53.230 52.037 0.032 0.000 0.643 171 A CB -0.334 18.689 19.000 0.037 0.000 0.806 171 A HN 0.416 nan 8.150 nan 0.000 0.451 172 R N -1.608 118.891 120.500 -0.001 0.000 2.393 172 R HA 0.235 4.575 4.340 -0.000 0.000 0.244 172 R C 1.040 177.317 176.300 -0.039 0.000 0.920 172 R CA 0.468 56.545 56.100 -0.037 0.000 1.076 172 R CB 0.069 30.314 30.300 -0.092 0.000 1.119 172 R HN 0.632 nan 8.270 nan 0.000 0.524 173 G N 2.307 111.101 108.800 -0.011 0.000 2.198 173 G HA2 -0.322 3.638 3.960 -0.000 0.000 0.260 173 G HA3 -0.322 3.638 3.960 -0.000 0.000 0.260 173 G C -0.202 174.695 174.900 -0.005 0.000 1.025 173 G CA 0.379 45.478 45.100 -0.003 0.000 0.769 173 G HN 0.252 nan 8.290 nan 0.000 0.507 174 K N 0.466 120.862 120.400 -0.007 0.000 2.182 174 K HA 0.475 4.795 4.320 -0.000 0.000 0.262 174 K C -2.540 174.132 176.600 0.120 0.000 0.957 174 K CA -2.283 54.008 56.287 0.008 0.000 0.842 174 K CB 1.892 34.300 32.500 -0.154 0.000 1.099 174 K HN -0.068 nan 8.250 nan 0.000 0.438 175 P HA -0.051 nan 4.420 nan 0.000 0.264 175 P C -1.418 176.008 177.300 0.210 0.000 1.193 175 P CA 0.131 63.304 63.100 0.122 0.000 0.763 175 P CB 0.689 32.436 31.700 0.079 0.000 0.810 176 A N 4.138 127.034 122.820 0.127 0.000 2.359 176 A HA 0.675 4.995 4.320 -0.000 0.000 0.303 176 A C -0.588 176.999 177.584 0.005 0.000 1.066 176 A CA -0.601 51.471 52.037 0.059 0.000 0.730 176 A CB 1.222 20.176 19.000 -0.076 0.000 1.211 176 A HN 0.309 nan 8.150 nan 0.000 0.439 177 R N 3.009 123.520 120.500 0.017 0.000 2.472 177 R HA 0.397 4.737 4.340 -0.000 0.000 0.294 177 R C -1.285 175.010 176.300 -0.008 0.000 1.243 177 R CA -0.223 55.872 56.100 -0.008 0.000 1.023 177 R CB 0.703 31.004 30.300 0.003 0.000 1.157 177 R HN 0.714 nan 8.270 nan 0.000 0.530 178 I N 3.596 124.132 120.570 -0.056 0.000 2.336 178 I HA 0.224 4.394 4.170 -0.000 0.000 0.292 178 I C 0.206 176.287 176.117 -0.060 0.000 0.991 178 I CA -1.258 60.008 61.300 -0.057 0.000 1.227 178 I CB 1.582 39.493 38.000 -0.149 0.000 1.366 178 I HN 0.209 nan 8.210 nan 0.000 0.466 179 L N 9.049 130.251 121.223 -0.034 0.000 2.325 179 L HA 0.322 4.662 4.340 -0.000 0.000 0.284 179 L C -0.471 176.381 176.870 -0.030 0.000 1.089 179 L CA 0.080 54.897 54.840 -0.038 0.000 0.836 179 L CB 0.785 42.830 42.059 -0.022 0.000 1.184 179 L HN 0.301 nan 8.230 nan 0.000 0.444 180 V N 6.759 126.643 119.914 -0.050 0.000 2.370 180 V HA 0.501 4.621 4.120 -0.000 0.000 0.279 180 V C -0.205 175.962 176.094 0.120 0.000 1.029 180 V CA -0.533 61.775 62.300 0.014 0.000 0.870 180 V CB 1.180 32.985 31.823 -0.031 0.000 0.984 180 V HN 0.719 nan 8.190 nan 0.000 0.451 181 L N 4.684 126.014 121.223 0.179 0.000 2.401 181 L HA 0.982 5.322 4.340 -0.000 0.000 0.266 181 L C -0.355 176.651 176.870 0.226 0.000 0.991 181 L CA -0.319 54.645 54.840 0.206 0.000 0.818 181 L CB 2.000 44.146 42.059 0.145 0.000 1.321 181 L HN 0.739 nan 8.230 nan 0.000 0.413 182 A N 4.552 127.489 122.820 0.194 0.000 2.374 182 A HA 0.805 5.125 4.320 -0.000 0.000 0.305 182 A C -2.027 175.584 177.584 0.044 0.000 1.053 182 A CA -0.433 51.659 52.037 0.091 0.000 0.726 182 A CB 1.450 20.407 19.000 -0.072 0.000 1.229 182 A HN 0.847 nan 8.150 nan 0.000 0.431 183 L N 1.801 123.024 121.223 0.000 0.000 2.438 183 L HA 0.755 5.095 4.340 -0.000 0.000 0.270 183 L C -1.223 175.564 176.870 -0.138 0.000 0.972 183 L CA -0.022 54.723 54.840 -0.158 0.000 0.831 183 L CB 1.891 43.718 42.059 -0.385 0.000 1.273 183 L HN 0.672 nan 8.230 nan 0.000 0.405 184 E N 4.635 124.762 120.200 -0.121 0.000 2.292 184 E HA 0.546 4.895 4.350 -0.000 0.000 0.272 184 E C -1.447 175.125 176.600 -0.048 0.000 0.881 184 E CA -0.596 55.778 56.400 -0.043 0.000 0.754 184 E CB 2.803 32.472 29.700 -0.052 0.000 1.201 184 E HN 0.373 nan 8.360 nan 0.000 0.425 185 V N 2.433 122.369 119.914 0.037 0.000 2.340 185 V HA 0.110 4.229 4.120 -0.000 0.000 0.277 185 V C 0.936 177.062 176.094 0.053 0.000 1.017 185 V CA -0.257 62.055 62.300 0.021 0.000 0.820 185 V CB 0.955 32.776 31.823 -0.003 0.000 1.028 185 V HN 0.790 nan 8.190 nan 0.000 0.436 186 S N 1.597 117.316 115.700 0.031 0.000 2.497 186 S HA -0.089 4.381 4.470 -0.000 0.000 0.221 186 S C 1.915 176.547 174.600 0.053 0.000 1.037 186 S CA 0.710 58.922 58.200 0.020 0.000 0.920 186 S CB 0.005 63.206 63.200 0.002 0.000 0.800 186 S HN 0.772 nan 8.310 nan 0.000 0.505 187 T N 1.352 115.938 114.554 0.054 0.000 2.881 187 T HA -0.134 4.215 4.350 -0.000 0.000 0.270 187 T C 1.990 176.696 174.700 0.011 0.000 1.068 187 T CA 1.778 63.904 62.100 0.043 0.000 1.131 187 T CB -1.549 67.336 68.868 0.027 0.000 0.871 187 T HN 0.622 nan 8.240 nan 0.000 0.479 188 T N 0.033 114.584 114.554 -0.005 0.000 2.977 188 T HA 0.085 4.435 4.350 -0.000 0.000 0.271 188 T C 1.692 176.399 174.700 0.011 0.000 1.105 188 T CA 0.669 62.754 62.100 -0.024 0.000 1.116 188 T CB -0.690 68.164 68.868 -0.023 0.000 0.878 188 T HN 0.392 nan 8.240 nan 0.000 0.509 189 M N 0.727 120.351 119.600 0.039 0.000 2.563 189 M HA 0.251 4.730 4.480 -0.000 0.000 0.231 189 M C 2.131 178.458 176.300 0.045 0.000 1.136 189 M CA -0.104 55.227 55.300 0.051 0.000 1.026 189 M CB -0.043 32.603 32.600 0.077 0.000 1.597 189 M HN 0.173 nan 8.290 nan 0.000 0.495 190 V N 1.003 120.940 119.914 0.038 0.000 2.324 190 V HA -0.313 3.807 4.120 -0.000 0.000 0.250 190 V C 2.442 178.561 176.094 0.042 0.000 1.060 190 V CA 2.070 64.397 62.300 0.046 0.000 1.042 190 V CB -0.297 31.551 31.823 0.042 0.000 0.650 190 V HN 0.484 nan 8.190 nan 0.000 0.450 191 R N -0.230 120.275 120.500 0.010 0.000 2.092 191 R HA -0.069 4.271 4.340 -0.000 0.000 0.231 191 R C 2.634 178.948 176.300 0.023 0.000 1.119 191 R CA 1.557 57.652 56.100 -0.009 0.000 0.970 191 R CB -1.173 29.060 30.300 -0.112 0.000 0.864 191 R HN 0.652 nan 8.270 nan 0.000 0.440 192 S N 0.923 116.631 115.700 0.015 0.000 2.348 192 S HA -0.129 4.341 4.470 -0.000 0.000 0.221 192 S C 1.710 176.324 174.600 0.023 0.000 1.033 192 S CA 1.051 59.261 58.200 0.016 0.000 1.010 192 S CB 0.060 63.269 63.200 0.015 0.000 0.891 192 S HN 0.179 nan 8.310 nan 0.000 0.442 193 E N 1.229 121.449 120.200 0.035 0.000 2.077 193 E HA -0.074 4.276 4.350 -0.000 0.000 0.193 193 E C 2.181 178.782 176.600 0.002 0.000 0.989 193 E CA 0.953 57.372 56.400 0.032 0.000 0.800 193 E CB -0.625 29.110 29.700 0.058 0.000 0.746 193 E HN 0.545 nan 8.360 nan 0.000 0.452 194 L N 0.698 121.931 121.223 0.016 0.000 2.012 194 L HA -0.228 4.112 4.340 -0.000 0.000 0.210 194 L C 2.687 179.424 176.870 -0.222 0.000 1.073 194 L CA 1.651 56.468 54.840 -0.038 0.000 0.748 194 L CB -0.445 41.705 42.059 0.153 0.000 0.891 194 L HN 0.180 nan 8.230 nan 0.000 0.431 195 E N -0.116 120.060 120.200 -0.041 0.000 2.058 195 E HA -0.224 4.126 4.350 -0.000 0.000 0.194 195 E C 2.195 178.749 176.600 -0.077 0.000 0.997 195 E CA 1.741 58.126 56.400 -0.025 0.000 0.801 195 E CB 0.087 29.832 29.700 0.076 0.000 0.746 195 E HN 0.389 nan 8.360 nan 0.000 0.450 196 S N 0.459 116.131 115.700 -0.047 0.000 2.368 196 S HA -0.145 4.325 4.470 -0.000 0.000 0.225 196 S C 1.975 176.542 174.600 -0.055 0.000 1.030 196 S CA 1.198 59.377 58.200 -0.034 0.000 0.999 196 S CB -0.279 62.916 63.200 -0.009 0.000 0.844 196 S HN 0.288 nan 8.310 nan 0.000 0.459 197 I N 1.674 122.197 120.570 -0.078 0.000 2.151 197 I HA -0.268 3.901 4.170 -0.000 0.000 0.243 197 I C 2.426 178.480 176.117 -0.106 0.000 1.080 197 I CA 1.804 63.056 61.300 -0.080 0.000 1.339 197 I CB -0.399 37.550 38.000 -0.085 0.000 1.039 197 I HN 0.296 nan 8.210 nan 0.000 0.409 198 D N 0.550 120.831 120.400 -0.198 0.000 2.097 198 D HA -0.140 4.500 4.640 -0.000 0.000 0.197 198 D C 2.122 178.378 176.300 -0.073 0.000 0.984 198 D CA 1.464 55.356 54.000 -0.179 0.000 0.826 198 D CB 0.058 40.630 40.800 -0.381 0.000 0.973 198 D HN 0.289 nan 8.370 nan 0.000 0.460 199 A N -0.102 122.684 122.820 -0.057 0.000 1.898 199 A HA 0.065 4.385 4.320 -0.000 0.000 0.214 199 A C 2.268 179.846 177.584 -0.011 0.000 1.183 199 A CA 0.729 52.757 52.037 -0.015 0.000 0.622 199 A CB -0.553 18.447 19.000 -0.001 0.000 0.824 199 A HN 0.357 nan 8.150 nan 0.000 0.444 200 L N -1.758 119.455 121.223 -0.017 0.000 2.446 200 L HA 0.011 4.351 4.340 -0.000 0.000 0.219 200 L C 0.350 177.216 176.870 -0.006 0.000 1.116 200 L CA 0.103 54.939 54.840 -0.007 0.000 0.844 200 L CB -0.244 41.812 42.059 -0.004 0.000 0.970 200 L HN 0.326 nan 8.230 nan 0.000 0.457 201 Q N 1.280 121.072 119.800 -0.014 0.000 2.463 201 Q HA -0.190 4.150 4.340 -0.000 0.000 0.299 201 Q C -0.122 175.875 176.000 -0.004 0.000 1.353 201 Q CA 1.043 56.840 55.803 -0.011 0.000 0.828 201 Q CB -1.630 27.106 28.738 -0.003 0.000 1.157 201 Q HN 0.791 nan 8.270 nan 0.000 0.436 202 E N -2.074 118.123 120.200 -0.005 0.000 2.227 202 E HA 0.567 4.917 4.350 -0.000 0.000 0.268 202 E C -0.048 176.555 176.600 0.005 0.000 0.907 202 E CA -0.650 55.752 56.400 0.005 0.000 0.786 202 E CB 0.963 30.670 29.700 0.011 0.000 1.191 202 E HN 0.131 nan 8.360 nan 0.000 0.411 203 T N 1.225 115.787 114.554 0.012 0.000 3.182 203 T HA 0.216 4.566 4.350 -0.000 0.000 0.274 203 T C -0.105 174.608 174.700 0.022 0.000 0.997 203 T CA -0.736 61.373 62.100 0.015 0.000 1.082 203 T CB -0.397 68.484 68.868 0.021 0.000 1.005 203 T HN 0.383 nan 8.240 nan 0.000 0.688 204 R N 3.035 123.548 120.500 0.021 0.000 2.198 204 R HA 0.406 4.746 4.340 -0.000 0.000 0.339 204 R C 1.313 177.637 176.300 0.041 0.000 1.020 204 R CA -0.523 55.599 56.100 0.037 0.000 0.864 204 R CB 0.739 31.061 30.300 0.038 0.000 1.105 204 R HN 0.810 nan 8.270 nan 0.000 0.463 205 I N -0.479 120.119 120.570 0.047 0.000 3.883 205 I HA 0.248 4.418 4.170 -0.000 0.000 0.326 205 I C 1.448 177.587 176.117 0.037 0.000 1.283 205 I CA 0.072 61.389 61.300 0.028 0.000 1.161 205 I CB 0.460 38.468 38.000 0.014 0.000 1.012 205 I HN 0.595 nan 8.210 nan 0.000 0.421 206 G N 3.379 112.250 108.800 0.117 0.000 2.446 206 G HA2 -0.269 3.691 3.960 -0.000 0.000 0.217 206 G HA3 -0.269 3.691 3.960 -0.000 0.000 0.217 206 G C 1.593 176.626 174.900 0.221 0.000 1.168 206 G CA 1.464 46.722 45.100 0.263 0.000 0.771 206 G HN 0.727 nan 8.290 nan 0.000 0.551 207 I N -1.127 119.525 120.570 0.137 0.000 2.567 207 I HA 0.134 4.304 4.170 -0.000 0.000 0.257 207 I C 2.597 178.739 176.117 0.041 0.000 1.184 207 I CA 1.288 62.648 61.300 0.100 0.000 1.451 207 I CB -0.211 37.829 38.000 0.066 0.000 1.089 207 I HN 0.122 nan 8.210 nan 0.000 0.441 208 A N 1.088 123.908 122.820 -0.000 0.000 2.119 208 A HA 0.207 4.526 4.320 -0.000 0.000 0.216 208 A C 2.203 179.732 177.584 -0.090 0.000 1.152 208 A CA 0.974 52.983 52.037 -0.046 0.000 0.708 208 A CB -0.270 18.700 19.000 -0.051 0.000 0.805 208 A HN 0.549 nan 8.150 nan 0.000 0.460 209 L N -2.761 118.377 121.223 -0.140 0.000 2.586 209 L HA 0.327 4.667 4.340 -0.000 0.000 0.204 209 L C -0.008 176.693 176.870 -0.282 0.000 1.053 209 L CA -0.229 54.430 54.840 -0.302 0.000 0.856 209 L CB -0.052 41.651 42.059 -0.592 0.000 1.192 209 L HN 0.220 nan 8.230 nan 0.000 0.484 210 F N 0.832 120.806 119.950 0.040 0.000 2.382 210 F HA 0.339 4.866 4.527 -0.000 0.000 0.331 210 F C 0.851 176.679 175.800 0.046 0.000 1.121 210 F CA -0.464 57.568 58.000 0.053 0.000 1.183 210 F CB 1.221 40.253 39.000 0.053 0.000 1.207 210 F HN -0.024 nan 8.300 nan 0.000 0.555 211 S N -0.217 115.659 115.700 0.293 0.000 2.794 211 S HA 0.655 5.124 4.470 -0.000 0.000 0.299 211 S C -1.805 172.907 174.600 0.185 0.000 1.179 211 S CA -1.122 57.198 58.200 0.200 0.000 0.838 211 S CB 2.105 65.414 63.200 0.183 0.000 1.206 211 S HN 0.374 nan 8.310 nan 0.000 0.523 212 D N 0.177 120.679 120.400 0.170 0.000 2.278 212 D HA 0.706 5.345 4.640 -0.000 0.000 0.245 212 D C -0.921 175.454 176.300 0.124 0.000 1.052 212 D CA -0.101 53.964 54.000 0.108 0.000 0.834 212 D CB 1.471 42.310 40.800 0.066 0.000 1.194 212 D HN 0.746 nan 8.370 nan 0.000 0.481 213 C N 1.477 120.772 119.300 -0.010 0.000 3.302 213 C HA 0.787 5.247 4.460 -0.000 0.000 0.347 213 C C -1.606 173.268 174.990 -0.193 0.000 1.218 213 C CA -0.298 58.617 59.018 -0.173 0.000 1.234 213 C CB 0.959 28.515 27.740 -0.307 0.000 1.551 213 C HN 0.738 nan 8.230 nan 0.000 0.501 214 A N 2.890 125.568 122.820 -0.236 0.000 2.371 214 A HA 0.960 5.279 4.320 -0.000 0.000 0.311 214 A C -0.443 177.054 177.584 -0.144 0.000 1.068 214 A CA 0.168 52.112 52.037 -0.154 0.000 0.744 214 A CB 1.426 20.355 19.000 -0.120 0.000 1.239 214 A HN 1.995 nan 8.150 nan 0.000 0.435 215 S N 0.373 116.052 115.700 -0.035 0.000 2.564 215 S HA 0.929 5.399 4.470 -0.000 0.000 0.274 215 S C -0.619 174.104 174.600 0.204 0.000 1.124 215 S CA -0.126 58.107 58.200 0.054 0.000 0.869 215 S CB 1.753 65.004 63.200 0.086 0.000 1.105 215 S HN 2.332 nan 8.310 nan 0.000 0.472 216 A N 0.970 123.870 122.820 0.133 0.000 2.549 216 A HA 0.881 5.200 4.320 -0.000 0.000 0.297 216 A C -0.580 176.892 177.584 -0.188 0.000 1.061 216 A CA -0.484 51.578 52.037 0.043 0.000 0.690 216 A CB 1.370 20.382 19.000 0.020 0.000 1.287 216 A HN 2.137 nan 8.150 nan 0.000 0.402 217 V N -0.657 119.012 119.914 -0.407 0.000 3.001 217 V HA 0.807 4.927 4.120 -0.000 0.000 0.314 217 V C -0.881 175.064 176.094 -0.249 0.000 1.099 217 V CA -1.031 61.026 62.300 -0.405 0.000 0.989 217 V CB 1.824 33.248 31.823 -0.665 0.000 1.040 217 V HN 0.678 nan 8.190 nan 0.000 0.434 218 I N 3.546 124.014 120.570 -0.171 0.000 2.321 218 I HA 0.487 4.657 4.170 -0.000 0.000 0.291 218 I C -0.382 175.663 176.117 -0.119 0.000 0.998 218 I CA -0.401 60.827 61.300 -0.119 0.000 1.227 218 I CB 1.150 39.104 38.000 -0.076 0.000 1.368 218 I HN 0.624 nan 8.210 nan 0.000 0.466 219 L N 6.005 127.156 121.223 -0.121 0.000 2.307 219 L HA 0.518 4.858 4.340 -0.000 0.000 0.284 219 L C 0.048 176.867 176.870 -0.085 0.000 1.023 219 L CA 0.300 55.075 54.840 -0.108 0.000 0.810 219 L CB 1.593 43.570 42.059 -0.137 0.000 1.231 219 L HN 0.645 nan 8.230 nan 0.000 0.423 220 S N 2.348 118.013 115.700 -0.057 0.000 2.536 220 S HA 0.445 4.914 4.470 -0.000 0.000 0.298 220 S C 0.418 175.004 174.600 -0.024 0.000 1.083 220 S CA -0.661 57.517 58.200 -0.038 0.000 0.995 220 S CB 0.985 64.171 63.200 -0.023 0.000 1.058 220 S HN 0.777 nan 8.310 nan 0.000 0.488 221 N N 2.509 121.202 118.700 -0.012 0.000 2.322 221 N HA 0.201 4.941 4.740 -0.000 0.000 0.194 221 N C 1.236 176.758 175.510 0.020 0.000 1.126 221 N CA 0.851 53.906 53.050 0.009 0.000 0.845 221 N CB -0.084 38.415 38.487 0.021 0.000 0.976 221 N HN 1.031 nan 8.380 nan 0.000 0.475 222 G N 0.557 109.365 108.800 0.014 0.000 2.347 222 G HA2 -0.312 3.648 3.960 -0.000 0.000 0.247 222 G HA3 -0.312 3.648 3.960 -0.000 0.000 0.247 222 G C 0.032 174.943 174.900 0.018 0.000 1.037 222 G CA 0.319 45.428 45.100 0.014 0.000 0.622 222 G HN 0.411 nan 8.290 nan 0.000 0.521 223 I N 1.840 122.426 120.570 0.027 0.000 2.598 223 I HA 0.367 4.536 4.170 -0.000 0.000 0.284 223 I C 1.768 177.901 176.117 0.027 0.000 1.140 223 I CA 1.701 63.019 61.300 0.029 0.000 1.420 223 I CB 0.668 38.692 38.000 0.040 0.000 1.387 223 I HN 1.060 nan 8.210 nan 0.000 0.553 224 G N 4.052 112.864 108.800 0.020 0.000 2.199 224 G HA2 -0.214 3.746 3.960 -0.000 0.000 0.254 224 G HA3 -0.214 3.746 3.960 -0.000 0.000 0.254 224 G C 0.145 175.052 174.900 0.011 0.000 0.982 224 G CA -0.429 44.680 45.100 0.016 0.000 0.632 224 G HN 0.634 nan 8.290 nan 0.000 0.529 225 E N 0.883 121.089 120.200 0.010 0.000 2.289 225 E HA 0.524 4.874 4.350 -0.000 0.000 0.278 225 E C 0.578 177.180 176.600 0.003 0.000 1.032 225 E CA 0.156 56.559 56.400 0.004 0.000 0.854 225 E CB 1.398 31.099 29.700 0.002 0.000 1.046 225 E HN 0.651 nan 8.360 nan 0.000 0.409 226 A N 5.306 128.126 122.820 0.000 0.000 2.454 226 A HA 0.298 4.618 4.320 -0.000 0.000 0.260 226 A C -2.005 175.577 177.584 -0.002 0.000 1.106 226 A CA -1.112 50.924 52.037 -0.001 0.000 0.780 226 A CB -0.335 18.664 19.000 -0.002 0.000 1.044 226 A HN 0.339 nan 8.150 nan 0.000 0.498 227 P HA 0.305 nan 4.420 nan 0.000 0.271 227 P C 1.125 178.422 177.300 -0.005 0.000 1.238 227 P CA 1.252 64.351 63.100 -0.003 0.000 0.794 227 P CB 0.395 32.094 31.700 -0.001 0.000 0.959 228 G N -0.977 107.819 108.800 -0.007 0.000 2.184 228 G HA2 -0.279 3.680 3.960 -0.000 0.000 0.264 228 G HA3 -0.279 3.680 3.960 -0.000 0.000 0.264 228 G C 0.231 175.123 174.900 -0.013 0.000 0.975 228 G CA 0.389 45.483 45.100 -0.010 0.000 0.642 228 G HN 0.733 nan 8.290 nan 0.000 0.536 229 K N 2.304 122.696 120.400 -0.013 0.000 2.412 229 K HA 0.447 4.767 4.320 -0.000 0.000 0.284 229 K C -1.224 175.363 176.600 -0.022 0.000 1.046 229 K CA -1.492 54.786 56.287 -0.015 0.000 0.999 229 K CB 0.465 32.958 32.500 -0.012 0.000 0.941 229 K HN 0.212 nan 8.250 nan 0.000 0.474 230 P HA 0.178 nan 4.420 nan 0.000 0.271 230 P C -1.258 176.018 177.300 -0.041 0.000 1.216 230 P CA -0.417 62.661 63.100 -0.037 0.000 0.776 230 P CB 1.400 33.076 31.700 -0.040 0.000 0.881 231 A N 2.439 125.227 122.820 -0.052 0.000 2.430 231 A HA 0.576 4.896 4.320 -0.000 0.000 0.300 231 A C 0.951 178.477 177.584 -0.097 0.000 1.124 231 A CA -0.685 51.319 52.037 -0.055 0.000 0.766 231 A CB 0.900 19.880 19.000 -0.033 0.000 1.328 231 A HN 0.350 nan 8.150 nan 0.000 0.424 232 I N -1.063 119.438 120.570 -0.114 0.000 2.429 232 I HA 0.120 4.290 4.170 -0.000 0.000 0.247 232 I C -0.003 175.877 176.117 -0.395 0.000 1.099 232 I CA 1.343 62.486 61.300 -0.262 0.000 1.422 232 I CB -1.146 36.706 38.000 -0.247 0.000 1.112 232 I HN 0.568 nan 8.210 nan 0.000 0.430 233 Y N 0.385 120.653 120.300 -0.052 0.000 2.553 233 Y HA 0.444 4.994 4.550 -0.000 0.000 0.347 233 Y C -0.498 175.375 175.900 -0.045 0.000 1.019 233 Y CA -1.409 56.660 58.100 -0.052 0.000 1.032 233 Y CB 1.296 39.732 38.460 -0.040 0.000 1.284 233 Y HN -0.063 nan 8.280 nan 0.000 0.466 234 D N 2.226 122.706 120.400 0.132 0.000 2.193 234 D HA 0.251 4.891 4.640 -0.000 0.000 0.244 234 D C -1.036 175.324 176.300 0.099 0.000 1.064 234 D CA -0.476 53.574 54.000 0.083 0.000 0.845 234 D CB 2.285 43.112 40.800 0.045 0.000 1.148 234 D HN 0.305 nan 8.370 nan 0.000 0.464 235 L N 3.375 124.656 121.223 0.098 0.000 2.295 235 L HA 0.186 4.526 4.340 -0.000 0.000 0.288 235 L C 0.365 177.339 176.870 0.173 0.000 1.079 235 L CA 0.163 55.083 54.840 0.132 0.000 0.830 235 L CB 0.241 42.377 42.059 0.127 0.000 1.200 235 L HN 0.437 nan 8.230 nan 0.000 0.438 236 L N 4.552 125.857 121.223 0.137 0.000 2.354 236 L HA 0.488 4.828 4.340 -0.000 0.000 0.212 236 L C 1.002 177.847 176.870 -0.042 0.000 1.091 236 L CA 0.444 55.324 54.840 0.067 0.000 0.828 236 L CB -0.155 41.944 42.059 0.067 0.000 0.973 236 L HN 0.806 nan 8.230 nan 0.000 0.461 237 G N -1.014 107.781 108.800 -0.010 0.000 2.368 237 G HA2 0.380 4.340 3.960 -0.000 0.000 0.293 237 G HA3 0.380 4.340 3.960 -0.000 0.000 0.293 237 G C -2.593 172.312 174.900 0.008 0.000 1.467 237 G CA -0.493 44.411 45.100 -0.326 0.000 0.804 237 G HN 0.094 nan 8.290 nan 0.000 0.535 238 W N -0.857 120.400 121.300 -0.072 0.000 3.066 238 W HA 0.858 5.518 4.660 -0.000 0.000 0.330 238 W C -1.050 175.426 176.519 -0.071 0.000 1.253 238 W CA -1.068 56.231 57.345 -0.078 0.000 1.187 238 W CB 1.316 30.738 29.460 -0.064 0.000 1.434 238 W HN 0.538 nan 8.180 nan 0.000 0.572 239 E N 2.053 122.350 120.200 0.161 0.000 2.356 239 E HA 0.340 4.690 4.350 -0.000 0.000 0.275 239 E C -1.260 175.401 176.600 0.103 0.000 0.904 239 E CA -0.908 55.539 56.400 0.080 0.000 0.757 239 E CB 2.486 32.186 29.700 -0.000 0.000 1.232 239 E HN 0.561 nan 8.360 nan 0.000 0.442 240 N N 1.336 120.090 118.700 0.090 0.000 2.287 240 N HA 0.507 5.247 4.740 -0.000 0.000 0.289 240 N C -0.769 174.772 175.510 0.051 0.000 1.066 240 N CA -0.666 52.422 53.050 0.062 0.000 0.841 240 N CB 2.607 41.134 38.487 0.067 0.000 1.599 240 N HN 0.306 nan 8.380 nan 0.000 0.476 241 R N 0.615 121.143 120.500 0.047 0.000 2.707 241 R HA 0.490 4.830 4.340 -0.000 0.000 0.272 241 R C -1.279 175.054 176.300 0.056 0.000 1.011 241 R CA -0.900 55.230 56.100 0.051 0.000 0.893 241 R CB 2.543 32.877 30.300 0.056 0.000 1.233 241 R HN 0.356 nan 8.270 nan 0.000 0.464 242 V N 3.735 123.679 119.914 0.051 0.000 2.398 242 V HA 0.396 4.515 4.120 -0.000 0.000 0.286 242 V C 0.339 176.466 176.094 0.054 0.000 1.026 242 V CA -0.689 61.643 62.300 0.052 0.000 0.868 242 V CB 1.544 33.393 31.823 0.042 0.000 0.982 242 V HN 0.567 nan 8.190 nan 0.000 0.443 243 I N 7.396 128.003 120.570 0.061 0.000 2.452 243 I HA 0.220 4.389 4.170 -0.000 0.000 0.287 243 I C -2.019 174.123 176.117 0.043 0.000 1.079 243 I CA -1.510 59.822 61.300 0.053 0.000 1.387 243 I CB 0.992 39.023 38.000 0.051 0.000 1.404 243 I HN 0.418 nan 8.210 nan 0.000 0.522 244 P HA -0.018 nan 4.420 nan 0.000 0.267 244 P C -0.498 176.833 177.300 0.052 0.000 1.200 244 P CA 0.129 63.255 63.100 0.043 0.000 0.772 244 P CB 0.268 31.991 31.700 0.038 0.000 0.855 245 D N 0.404 120.843 120.400 0.064 0.000 2.701 245 D HA -0.147 4.492 4.640 -0.000 0.000 0.235 245 D C 0.055 176.439 176.300 0.140 0.000 1.155 245 D CA 1.550 55.610 54.000 0.101 0.000 0.649 245 D CB -1.728 39.125 40.800 0.088 0.000 1.050 245 D HN 0.514 nan 8.370 nan 0.000 0.425 246 S N -2.519 113.225 115.700 0.074 0.000 2.846 246 S HA 0.241 4.711 4.470 -0.000 0.000 0.249 246 S C 1.158 175.717 174.600 -0.068 0.000 1.028 246 S CA -0.554 57.620 58.200 -0.042 0.000 1.043 246 S CB 0.657 63.827 63.200 -0.050 0.000 0.990 246 S HN 0.092 nan 8.310 nan 0.000 0.564 247 E N 2.228 122.461 120.200 0.054 0.000 2.153 247 E HA -0.168 4.181 4.350 -0.000 0.000 0.194 247 E C 1.816 178.448 176.600 0.054 0.000 0.988 247 E CA 1.577 58.012 56.400 0.058 0.000 0.811 247 E CB -0.387 29.369 29.700 0.094 0.000 0.746 247 E HN 0.877 nan 8.360 nan 0.000 0.466 248 H N -0.298 118.786 119.070 0.023 0.000 2.556 248 H HA 0.102 4.658 4.556 -0.000 0.000 0.268 248 H C 0.480 175.823 175.328 0.025 0.000 0.996 248 H CA 0.762 56.824 56.048 0.023 0.000 1.157 248 H CB 0.193 29.966 29.762 0.019 0.000 1.355 248 H HN 0.136 nan 8.280 nan 0.000 0.597 249 D N 0.493 120.659 120.400 -0.390 0.000 2.327 249 D HA 0.086 4.726 4.640 -0.000 0.000 0.205 249 D C -0.079 176.163 176.300 -0.098 0.000 0.989 249 D CA 0.182 54.011 54.000 -0.284 0.000 0.873 249 D CB 0.842 41.448 40.800 -0.323 0.000 0.955 249 D HN 0.215 nan 8.370 nan 0.000 0.515 250 L N -0.256 120.936 121.223 -0.052 0.000 2.543 250 L HA 0.570 4.910 4.340 -0.000 0.000 0.265 250 L C -0.372 176.510 176.870 0.020 0.000 0.945 250 L CA -0.144 54.699 54.840 0.005 0.000 0.869 250 L CB 1.945 44.013 42.059 0.014 0.000 1.294 250 L HN 0.041 nan 8.230 nan 0.000 0.405 251 G N 1.944 110.765 108.800 0.036 0.000 2.341 251 G HA2 0.585 4.545 3.960 -0.000 0.000 0.299 251 G HA3 0.585 4.545 3.960 -0.000 0.000 0.299 251 G C -1.268 173.653 174.900 0.035 0.000 1.274 251 G CA -0.065 45.053 45.100 0.030 0.000 0.853 251 G HN 0.936 nan 8.290 nan 0.000 0.493 252 G N 0.407 109.239 108.800 0.054 0.000 2.564 252 G HA2 0.505 4.464 3.960 -0.000 0.000 0.282 252 G HA3 0.505 4.464 3.960 -0.000 0.000 0.282 252 G C -1.670 173.372 174.900 0.236 0.000 1.469 252 G CA -0.474 44.696 45.100 0.117 0.000 1.185 252 G HN 0.362 nan 8.290 nan 0.000 0.585 253 D N 1.632 122.138 120.400 0.176 0.000 2.295 253 D HA 0.212 4.852 4.640 -0.000 0.000 0.248 253 D C 0.811 177.134 176.300 0.037 0.000 1.154 253 D CA -0.161 53.910 54.000 0.118 0.000 0.857 253 D CB 2.482 43.315 40.800 0.054 0.000 1.117 253 D HN 0.211 nan 8.370 nan 0.000 0.468 254 V N 2.508 122.397 119.914 -0.042 0.000 2.814 254 V HA -0.027 4.092 4.120 -0.000 0.000 0.307 254 V C 0.084 175.994 176.094 -0.307 0.000 1.089 254 V CA 0.945 62.993 62.300 -0.421 0.000 1.212 254 V CB 1.045 32.690 31.823 -0.298 0.000 0.912 254 V HN 0.660 nan 8.190 nan 0.000 0.497 255 D N 3.973 124.125 120.400 -0.413 0.000 2.654 255 D HA 0.476 5.115 4.640 -0.000 0.000 0.231 255 D C -2.250 173.892 176.300 -0.262 0.000 1.239 255 D CA -0.999 52.849 54.000 -0.252 0.000 0.790 255 D CB 2.276 42.968 40.800 -0.180 0.000 1.480 255 D HN 0.226 nan 8.370 nan 0.000 0.442 256 P HA -0.080 nan 4.420 nan 0.000 0.219 256 P C 0.836 178.051 177.300 -0.142 0.000 1.144 256 P CA 1.273 64.287 63.100 -0.144 0.000 0.806 256 P CB 0.118 31.762 31.700 -0.093 0.000 0.771 257 M N -2.562 116.955 119.600 -0.138 0.000 2.383 257 M HA 0.266 4.746 4.480 -0.000 0.000 0.247 257 M C 0.982 177.215 176.300 -0.113 0.000 1.117 257 M CA 0.270 55.510 55.300 -0.100 0.000 0.995 257 M CB 0.483 33.047 32.600 -0.059 0.000 1.480 257 M HN 0.041 nan 8.290 nan 0.000 0.485 258 G N 0.407 109.056 108.800 -0.251 0.000 2.436 258 G HA2 -0.149 3.810 3.960 -0.000 0.000 0.205 258 G HA3 -0.149 3.810 3.960 -0.000 0.000 0.205 258 G C -1.690 172.868 174.900 -0.570 0.000 1.188 258 G CA -0.841 44.060 45.100 -0.331 0.000 1.267 258 G HN 0.346 nan 8.290 nan 0.000 0.536 259 W N 1.984 123.257 121.300 -0.044 0.000 2.554 259 W HA 0.536 5.196 4.660 -0.000 0.000 0.324 259 W C -0.314 176.179 176.519 -0.044 0.000 1.018 259 W CA -0.901 56.415 57.345 -0.049 0.000 1.243 259 W CB 1.836 31.250 29.460 -0.077 0.000 1.345 259 W HN 0.175 nan 8.180 nan 0.000 0.441 260 K N 2.840 123.306 120.400 0.110 0.000 2.349 260 K HA 0.201 4.521 4.320 -0.000 0.000 0.289 260 K C 0.087 176.745 176.600 0.095 0.000 1.064 260 K CA -0.363 55.971 56.287 0.077 0.000 0.947 260 K CB 1.270 33.791 32.500 0.035 0.000 1.007 260 K HN 0.171 nan 8.250 nan 0.000 0.478 261 V N 3.869 123.836 119.914 0.087 0.000 2.585 261 V HA 0.010 4.130 4.120 -0.000 0.000 0.296 261 V C 0.439 176.583 176.094 0.083 0.000 1.035 261 V CA -0.365 61.987 62.300 0.086 0.000 1.084 261 V CB 1.020 32.918 31.823 0.124 0.000 0.953 261 V HN 0.347 nan 8.190 nan 0.000 0.483 262 V N 6.629 126.589 119.914 0.077 0.000 2.398 262 V HA 0.503 4.623 4.120 -0.000 0.000 0.286 262 V C -0.284 175.853 176.094 0.072 0.000 1.026 262 V CA -0.538 61.802 62.300 0.067 0.000 0.868 262 V CB 1.562 33.420 31.823 0.057 0.000 0.982 262 V HN 0.575 nan 8.190 nan 0.000 0.443 263 L N 5.725 126.987 121.223 0.064 0.000 2.628 263 L HA 0.404 4.744 4.340 -0.000 0.000 0.258 263 L C 0.154 177.042 176.870 0.030 0.000 1.027 263 L CA 0.170 55.046 54.840 0.059 0.000 0.910 263 L CB 1.441 43.562 42.059 0.103 0.000 1.157 263 L HN 0.839 nan 8.230 nan 0.000 0.452 264 S N 4.166 119.866 115.700 0.000 0.000 2.669 264 S HA 0.661 5.130 4.470 -0.000 0.000 0.270 264 S C -1.546 173.046 174.600 -0.014 0.000 1.225 264 S CA -0.737 57.460 58.200 -0.005 0.000 0.991 264 S CB 0.976 64.161 63.200 -0.024 0.000 0.987 264 S HN 0.559 nan 8.310 nan 0.000 0.552 265 P HA 0.004 nan 4.420 nan 0.000 0.226 265 P C 1.057 178.338 177.300 -0.032 0.000 1.153 265 P CA 0.709 63.800 63.100 -0.015 0.000 0.777 265 P CB 0.038 31.737 31.700 -0.003 0.000 0.794 266 R N -0.247 120.229 120.500 -0.040 0.000 2.115 266 R HA -0.037 4.303 4.340 -0.000 0.000 0.230 266 R C 2.279 178.530 176.300 -0.082 0.000 1.111 266 R CA 0.823 56.890 56.100 -0.054 0.000 0.976 266 R CB -0.919 29.344 30.300 -0.061 0.000 0.870 266 R HN 0.042 nan 8.270 nan 0.000 0.445 267 V N 2.127 121.987 119.914 -0.089 0.000 2.231 267 V HA -0.253 3.867 4.120 -0.000 0.000 0.250 267 V C -0.801 175.192 176.094 -0.168 0.000 1.058 267 V CA 2.236 64.466 62.300 -0.118 0.000 1.022 267 V CB -1.339 30.432 31.823 -0.086 0.000 0.640 267 V HN 0.286 nan 8.190 nan 0.000 0.445 268 P HA -0.161 nan 4.420 nan 0.000 0.216 268 P C 1.875 179.076 177.300 -0.165 0.000 1.157 268 P CA 1.793 64.793 63.100 -0.167 0.000 0.880 268 P CB -0.199 31.434 31.700 -0.113 0.000 0.791 269 V N 0.002 119.844 119.914 -0.119 0.000 2.307 269 V HA -0.209 3.911 4.120 -0.000 0.000 0.245 269 V C 2.825 178.856 176.094 -0.106 0.000 1.045 269 V CA 1.594 63.837 62.300 -0.095 0.000 1.024 269 V CB -1.282 30.504 31.823 -0.063 0.000 0.651 269 V HN 0.006 nan 8.190 nan 0.000 0.449 270 L N 0.040 121.194 121.223 -0.116 0.000 2.056 270 L HA -0.132 4.208 4.340 -0.000 0.000 0.207 270 L C 2.747 179.520 176.870 -0.162 0.000 1.078 270 L CA 1.470 56.247 54.840 -0.105 0.000 0.749 270 L CB -0.827 41.179 42.059 -0.089 0.000 0.901 270 L HN 0.358 nan 8.230 nan 0.000 0.433 271 A N 0.238 122.861 122.820 -0.327 0.000 1.858 271 A HA -0.268 4.051 4.320 -0.000 0.000 0.216 271 A C 2.393 179.769 177.584 -0.346 0.000 1.190 271 A CA 2.023 53.653 52.037 -0.677 0.000 0.617 271 A CB -0.525 17.738 19.000 -1.228 0.000 0.827 271 A HN 0.309 nan 8.150 nan 0.000 0.443 272 K N -0.365 119.896 120.400 -0.231 0.000 2.059 272 K HA -0.195 4.125 4.320 -0.000 0.000 0.212 272 K C 1.995 178.574 176.600 -0.035 0.000 1.050 272 K CA 1.580 57.805 56.287 -0.104 0.000 0.927 272 K CB -0.345 32.096 32.500 -0.100 0.000 0.714 272 K HN 0.396 nan 8.250 nan 0.000 0.447 273 A N 0.351 123.150 122.820 -0.035 0.000 2.119 273 A HA -0.084 4.236 4.320 -0.000 0.000 0.217 273 A C 1.949 179.559 177.584 0.044 0.000 1.153 273 A CA 1.666 53.703 52.037 0.000 0.000 0.692 273 A CB -0.380 18.614 19.000 -0.008 0.000 0.799 273 A HN 0.553 nan 8.150 nan 0.000 0.458 274 S N -0.533 115.214 115.700 0.078 0.000 2.458 274 S HA 0.073 4.543 4.470 -0.000 0.000 0.223 274 S C 1.789 176.502 174.600 0.188 0.000 1.019 274 S CA 0.605 58.891 58.200 0.144 0.000 0.937 274 S CB -0.584 62.744 63.200 0.213 0.000 0.788 274 S HN 0.425 nan 8.310 nan 0.000 0.511 275 L N 1.081 122.427 121.223 0.206 0.000 1.956 275 L HA -0.245 4.095 4.340 -0.000 0.000 0.216 275 L C 3.065 180.061 176.870 0.210 0.000 1.073 275 L CA 2.077 57.055 54.840 0.231 0.000 0.762 275 L CB -0.853 41.303 42.059 0.161 0.000 0.889 275 L HN 0.336 nan 8.230 nan 0.000 0.433 276 Q N -0.365 119.516 119.800 0.135 0.000 2.030 276 Q HA -0.182 4.158 4.340 -0.000 0.000 0.204 276 Q C -0.418 175.700 176.000 0.197 0.000 0.986 276 Q CA 1.971 57.863 55.803 0.149 0.000 0.843 276 Q CB -1.536 27.248 28.738 0.077 0.000 0.904 276 Q HN 0.435 nan 8.270 nan 0.000 0.420 277 P HA -0.044 nan 4.420 nan 0.000 0.219 277 P C 0.784 178.149 177.300 0.108 0.000 1.150 277 P CA 1.284 64.450 63.100 0.110 0.000 0.814 277 P CB 0.043 31.791 31.700 0.080 0.000 0.787 278 T N -1.571 113.064 114.554 0.135 0.000 2.896 278 T HA -0.147 4.203 4.350 -0.000 0.000 0.263 278 T C 1.630 176.397 174.700 0.112 0.000 1.050 278 T CA 0.867 63.032 62.100 0.109 0.000 1.140 278 T CB -1.035 67.903 68.868 0.116 0.000 0.877 278 T HN 0.103 nan 8.240 nan 0.000 0.457 279 Y N 2.419 122.758 120.300 0.065 0.000 2.181 279 Y HA -0.027 4.523 4.550 -0.000 0.000 0.288 279 Y C 2.505 178.410 175.900 0.007 0.000 1.146 279 Y CA 0.968 59.096 58.100 0.047 0.000 1.164 279 Y CB -0.648 37.918 38.460 0.177 0.000 0.982 279 Y HN 0.169 nan 8.280 nan 0.000 0.515 280 A N 0.533 123.379 122.820 0.042 0.000 1.883 280 A HA -0.227 4.093 4.320 -0.000 0.000 0.217 280 A C 1.910 179.413 177.584 -0.135 0.000 1.186 280 A CA 2.168 54.169 52.037 -0.060 0.000 0.624 280 A CB -0.910 18.130 19.000 0.067 0.000 0.822 280 A HN 0.594 nan 8.150 nan 0.000 0.444 281 D N -0.541 119.809 120.400 -0.082 0.000 2.144 281 D HA -0.102 4.537 4.640 -0.000 0.000 0.200 281 D C 1.851 178.060 176.300 -0.151 0.000 0.978 281 D CA 1.187 55.132 54.000 -0.091 0.000 0.833 281 D CB -0.467 40.304 40.800 -0.048 0.000 0.961 281 D HN 0.356 nan 8.370 nan 0.000 0.470 282 L N 0.481 121.591 121.223 -0.189 0.000 2.017 282 L HA -0.122 4.217 4.340 -0.000 0.000 0.208 282 L C 2.097 178.789 176.870 -0.297 0.000 1.073 282 L CA 1.349 56.047 54.840 -0.236 0.000 0.745 282 L CB -0.555 41.360 42.059 -0.241 0.000 0.894 282 L HN -0.024 nan 8.230 nan 0.000 0.432 283 L N -0.864 120.112 121.223 -0.412 0.000 2.109 283 L HA -0.112 4.228 4.340 -0.000 0.000 0.207 283 L C 2.709 179.446 176.870 -0.222 0.000 1.086 283 L CA 1.763 56.369 54.840 -0.390 0.000 0.760 283 L CB -0.557 41.149 42.059 -0.589 0.000 0.910 283 L HN 0.576 nan 8.230 nan 0.000 0.437 284 S N -1.935 113.654 115.700 -0.186 0.000 2.453 284 S HA -0.114 4.355 4.470 -0.000 0.000 0.231 284 S C 1.982 176.514 174.600 -0.113 0.000 1.005 284 S CA 0.872 59.001 58.200 -0.118 0.000 0.949 284 S CB -0.721 62.425 63.200 -0.089 0.000 0.774 284 S HN 0.578 nan 8.310 nan 0.000 0.510 285 S N 1.439 117.054 115.700 -0.141 0.000 2.527 285 S HA 0.155 4.625 4.470 -0.000 0.000 0.222 285 S C 1.112 175.627 174.600 -0.141 0.000 0.985 285 S CA 0.406 58.520 58.200 -0.143 0.000 0.921 285 S CB -0.464 62.628 63.200 -0.180 0.000 0.772 285 S HN 0.734 nan 8.310 nan 0.000 0.529 286 L N -0.942 120.198 121.223 -0.139 0.000 3.521 286 L HA 0.421 4.761 4.340 -0.000 0.000 0.323 286 L C 1.487 178.299 176.870 -0.098 0.000 1.268 286 L CA -0.269 54.499 54.840 -0.119 0.000 1.064 286 L CB -0.871 41.107 42.059 -0.134 0.000 1.455 286 L HN 0.216 nan 8.230 nan 0.000 0.622 287 Q N -0.222 119.525 119.800 -0.089 0.000 2.234 287 Q HA -0.174 4.166 4.340 -0.000 0.000 0.206 287 Q C 0.547 176.521 176.000 -0.044 0.000 0.980 287 Q CA 1.908 57.675 55.803 -0.061 0.000 0.869 287 Q CB -0.406 28.304 28.738 -0.047 0.000 0.912 287 Q HN 0.481 nan 8.270 nan 0.000 0.436 288 D N 1.313 121.686 120.400 -0.044 0.000 2.224 288 D HA -0.111 4.528 4.640 -0.000 0.000 0.205 288 D C 1.524 177.807 176.300 -0.028 0.000 0.965 288 D CA 1.003 54.985 54.000 -0.030 0.000 0.852 288 D CB -0.023 40.761 40.800 -0.028 0.000 0.947 288 D HN 0.500 nan 8.370 nan 0.000 0.494 289 Q N -0.257 119.519 119.800 -0.041 0.000 2.451 289 Q HA 0.131 4.470 4.340 -0.000 0.000 0.206 289 Q C 0.227 176.196 176.000 -0.052 0.000 0.947 289 Q CA 0.249 56.034 55.803 -0.029 0.000 0.937 289 Q CB 0.486 29.209 28.738 -0.025 0.000 1.025 289 Q HN 0.229 nan 8.270 nan 0.000 0.511 290 L N 2.410 123.577 121.223 -0.094 0.000 2.307 290 L HA 0.406 4.746 4.340 -0.000 0.000 0.284 290 L C -2.057 174.778 176.870 -0.058 0.000 1.023 290 L CA -2.395 52.334 54.840 -0.186 0.000 0.810 290 L CB 0.923 42.855 42.059 -0.211 0.000 1.231 290 L HN -0.075 nan 8.230 nan 0.000 0.423 291 P HA 0.038 nan 4.420 nan 0.000 0.271 291 P C 0.594 177.935 177.300 0.069 0.000 1.233 291 P CA -0.330 62.816 63.100 0.077 0.000 0.789 291 P CB 0.675 32.483 31.700 0.179 0.000 0.951 292 S N 0.609 116.337 115.700 0.047 0.000 2.380 292 S HA -0.218 4.252 4.470 -0.000 0.000 0.229 292 S C 1.778 176.372 174.600 -0.010 0.000 1.043 292 S CA 1.832 60.044 58.200 0.020 0.000 1.038 292 S CB -1.757 61.450 63.200 0.013 0.000 0.872 292 S HN 0.657 nan 8.310 nan 0.000 0.456 293 S N -0.369 115.311 115.700 -0.034 0.000 2.603 293 S HA 0.100 4.570 4.470 -0.000 0.000 0.229 293 S C -0.049 174.271 174.600 -0.467 0.000 0.972 293 S CA -0.213 57.865 58.200 -0.202 0.000 0.935 293 S CB -0.641 62.424 63.200 -0.225 0.000 0.769 293 S HN 0.610 nan 8.310 nan 0.000 0.536 294 Y N 1.379 121.573 120.300 -0.176 0.000 2.747 294 Y HA 0.491 5.041 4.550 -0.000 0.000 0.362 294 Y C 0.905 176.712 175.900 -0.156 0.000 1.026 294 Y CA -0.640 57.218 58.100 -0.403 0.000 1.135 294 Y CB 0.752 38.884 38.460 -0.547 0.000 1.175 294 Y HN 0.185 nan 8.280 nan 0.000 0.643 295 Q N 0.780 120.628 119.800 0.080 0.000 2.126 295 Q HA 0.146 4.486 4.340 -0.000 0.000 0.233 295 Q C -0.111 176.111 176.000 0.370 0.000 0.788 295 Q CA 0.088 56.036 55.803 0.241 0.000 0.968 295 Q CB 1.425 30.235 28.738 0.120 0.000 1.163 295 Q HN 0.609 nan 8.270 nan 0.000 0.471 296 K N -0.998 119.636 120.400 0.391 0.000 2.435 296 K HA 0.500 4.819 4.320 -0.000 0.000 0.251 296 K C -2.448 174.488 176.600 0.560 0.000 0.954 296 K CA -1.653 54.885 56.287 0.417 0.000 0.820 296 K CB 2.419 35.039 32.500 0.200 0.000 1.292 296 K HN -0.380 nan 8.250 nan 0.000 0.436 297 P HA -0.248 nan 4.420 nan 0.000 0.216 297 P C 0.864 178.494 177.300 0.549 0.000 1.154 297 P CA 2.007 65.340 63.100 0.389 0.000 0.865 297 P CB 0.022 31.628 31.700 -0.156 0.000 0.789 298 A N -0.899 122.061 122.820 0.234 0.000 2.206 298 A HA -0.099 4.221 4.320 -0.000 0.000 0.211 298 A C 1.644 179.469 177.584 0.401 0.000 1.158 298 A CA 1.070 53.226 52.037 0.198 0.000 0.761 298 A CB -0.970 18.034 19.000 0.005 0.000 0.801 298 A HN 0.065 nan 8.150 nan 0.000 0.473 299 D N -0.518 120.026 120.400 0.240 0.000 2.219 299 D HA 0.012 4.652 4.640 -0.000 0.000 0.205 299 D C 0.090 176.384 176.300 -0.009 0.000 0.970 299 D CA 0.793 54.741 54.000 -0.088 0.000 0.851 299 D CB -0.076 40.457 40.800 -0.445 0.000 0.943 299 D HN 0.494 nan 8.370 nan 0.000 0.488 300 F N 0.858 121.106 119.950 0.496 0.000 2.440 300 F HA 0.273 4.800 4.527 -0.000 0.000 0.328 300 F C 1.058 177.164 175.800 0.510 0.000 1.070 300 F CA -1.129 57.158 58.000 0.478 0.000 1.011 300 F CB 0.891 40.054 39.000 0.272 0.000 1.226 300 F HN -0.379 nan 8.300 nan 0.000 0.491 301 D N 0.055 120.776 120.400 0.535 0.000 2.313 301 D HA 0.134 4.774 4.640 -0.000 0.000 0.247 301 D C -1.273 175.253 176.300 0.377 0.000 1.094 301 D CA 0.107 54.380 54.000 0.455 0.000 0.925 301 D CB 1.009 41.987 40.800 0.298 0.000 1.188 301 D HN 0.362 nan 8.370 nan 0.000 0.430 302 W N 0.563 122.014 121.300 0.251 0.000 2.463 302 W HA 0.497 5.157 4.660 -0.000 0.000 0.316 302 W C -0.423 176.178 176.519 0.137 0.000 1.004 302 W CA -0.771 56.684 57.345 0.184 0.000 1.309 302 W CB 1.196 30.758 29.460 0.170 0.000 1.288 302 W HN 0.311 nan 8.180 nan 0.000 0.423 303 A N 5.026 127.963 122.820 0.194 0.000 2.798 303 A HA 0.541 4.861 4.320 -0.000 0.000 0.316 303 A C -0.395 177.276 177.584 0.144 0.000 1.506 303 A CA -0.419 51.705 52.037 0.145 0.000 1.162 303 A CB -0.222 18.810 19.000 0.054 0.000 1.138 303 A HN 0.590 nan 8.150 nan 0.000 0.532 304 M N 2.562 122.275 119.600 0.189 0.000 2.264 304 M HA 0.221 4.701 4.480 -0.000 0.000 0.352 304 M C 0.222 176.598 176.300 0.127 0.000 1.173 304 M CA -0.272 55.132 55.300 0.173 0.000 1.075 304 M CB 0.691 33.407 32.600 0.193 0.000 1.621 304 M HN 0.650 nan 8.290 nan 0.000 0.457 305 H N 6.289 125.379 119.070 0.033 0.000 3.026 305 H HA 0.204 4.759 4.556 -0.000 0.000 0.289 305 H C -2.259 173.093 175.328 0.041 0.000 1.022 305 H CA -1.352 54.716 56.048 0.035 0.000 1.477 305 H CB 0.684 30.456 29.762 0.017 0.000 1.510 305 H HN 0.441 nan 8.280 nan 0.000 0.535 306 P HA 0.100 nan 4.420 nan 0.000 0.238 306 P C 0.975 177.950 177.300 -0.541 0.000 1.794 306 P CA -0.118 62.714 63.100 -0.447 0.000 1.088 306 P CB 0.152 31.643 31.700 -0.348 0.000 1.923 307 G N 1.915 110.426 108.800 -0.482 0.000 2.422 307 G HA2 0.103 4.063 3.960 -0.000 0.000 0.218 307 G HA3 0.103 4.063 3.960 -0.000 0.000 0.218 307 G C 0.676 175.471 174.900 -0.175 0.000 1.146 307 G CA 0.605 45.556 45.100 -0.248 0.000 0.769 307 G HN 0.639 nan 8.290 nan 0.000 0.547 308 G N -2.901 105.749 108.800 -0.250 0.000 2.649 308 G HA2 0.560 4.520 3.960 -0.000 0.000 0.290 308 G HA3 0.560 4.520 3.960 -0.000 0.000 0.290 308 G C 0.596 175.231 174.900 -0.442 0.000 1.426 308 G CA 0.188 45.155 45.100 -0.221 0.000 0.794 308 G HN 0.500 nan 8.290 nan 0.000 0.483 309 A N -0.512 122.113 122.820 -0.326 0.000 1.933 309 A HA 0.017 4.337 4.320 -0.000 0.000 0.218 309 A C 2.525 179.981 177.584 -0.214 0.000 1.175 309 A CA 3.092 54.939 52.037 -0.318 0.000 0.628 309 A CB -1.108 17.868 19.000 -0.039 0.000 0.814 309 A HN 1.540 nan 8.150 nan 0.000 0.444 310 T N -1.881 112.584 114.554 -0.148 0.000 2.962 310 T HA -0.049 4.301 4.350 -0.000 0.000 0.270 310 T C 1.659 176.272 174.700 -0.145 0.000 1.088 310 T CA 1.107 63.136 62.100 -0.119 0.000 1.127 310 T CB -0.369 68.443 68.868 -0.093 0.000 0.883 310 T HN 0.229 nan 8.240 nan 0.000 0.493 311 I N 1.497 121.956 120.570 -0.185 0.000 2.202 311 I HA 0.003 4.173 4.170 -0.000 0.000 0.242 311 I C 2.502 178.534 176.117 -0.142 0.000 1.091 311 I CA 0.892 62.097 61.300 -0.158 0.000 1.368 311 I CB -1.248 36.674 38.000 -0.130 0.000 1.058 311 I HN 0.327 nan 8.210 nan 0.000 0.410 312 L N 0.604 121.690 121.223 -0.229 0.000 2.044 312 L HA -0.161 4.179 4.340 -0.000 0.000 0.205 312 L C 2.793 179.609 176.870 -0.090 0.000 1.075 312 L CA 1.629 56.337 54.840 -0.219 0.000 0.747 312 L CB -0.823 40.930 42.059 -0.510 0.000 0.903 312 L HN 0.289 nan 8.230 nan 0.000 0.435 313 S N 0.181 115.843 115.700 -0.063 0.000 2.382 313 S HA -0.115 4.355 4.470 -0.000 0.000 0.228 313 S C 2.116 176.679 174.600 -0.063 0.000 1.027 313 S CA 0.959 59.146 58.200 -0.022 0.000 0.991 313 S CB -1.165 62.029 63.200 -0.009 0.000 0.823 313 S HN 0.420 nan 8.310 nan 0.000 0.469 314 G N 1.601 110.350 108.800 -0.084 0.000 2.442 314 G HA2 0.018 3.978 3.960 -0.000 0.000 0.219 314 G HA3 0.018 3.978 3.960 -0.000 0.000 0.219 314 G C 1.650 176.486 174.900 -0.106 0.000 1.141 314 G CA 0.949 45.993 45.100 -0.093 0.000 0.763 314 G HN 0.794 nan 8.290 nan 0.000 0.554 315 A N 0.961 123.712 122.820 -0.114 0.000 1.873 315 A HA 0.012 4.332 4.320 -0.000 0.000 0.215 315 A C 2.139 179.569 177.584 -0.256 0.000 1.186 315 A CA 1.917 53.848 52.037 -0.177 0.000 0.616 315 A CB -0.453 18.451 19.000 -0.159 0.000 0.823 315 A HN 0.424 nan 8.150 nan 0.000 0.442 316 E N -0.463 119.624 120.200 -0.188 0.000 2.070 316 E HA -0.196 4.154 4.350 -0.000 0.000 0.197 316 E C 2.308 178.806 176.600 -0.169 0.000 1.004 316 E CA 1.561 57.853 56.400 -0.180 0.000 0.805 316 E CB -0.207 29.447 29.700 -0.077 0.000 0.744 316 E HN 0.590 nan 8.360 nan 0.000 0.451 317 S N -0.161 115.463 115.700 -0.127 0.000 2.357 317 S HA -0.099 4.371 4.470 -0.000 0.000 0.221 317 S C 2.061 176.589 174.600 -0.120 0.000 1.031 317 S CA 1.050 59.187 58.200 -0.105 0.000 0.982 317 S CB -0.175 62.978 63.200 -0.079 0.000 0.853 317 S HN 0.331 nan 8.310 nan 0.000 0.458 318 A N 1.363 124.103 122.820 -0.133 0.000 1.898 318 A HA 0.049 4.368 4.320 -0.000 0.000 0.216 318 A C 2.019 179.501 177.584 -0.171 0.000 1.181 318 A CA 1.546 53.508 52.037 -0.125 0.000 0.620 318 A CB -0.388 18.549 19.000 -0.104 0.000 0.819 318 A HN 0.570 nan 8.150 nan 0.000 0.442 319 M N -1.440 117.994 119.600 -0.275 0.000 2.382 319 M HA 0.221 4.701 4.480 -0.000 0.000 0.247 319 M C 1.153 177.260 176.300 -0.322 0.000 1.104 319 M CA 0.326 55.404 55.300 -0.371 0.000 1.030 319 M CB -0.856 31.330 32.600 -0.690 0.000 1.424 319 M HN 0.740 nan 8.290 nan 0.000 0.486 320 G N 2.521 111.167 108.800 -0.257 0.000 2.351 320 G HA2 -0.207 3.753 3.960 -0.000 0.000 0.297 320 G HA3 -0.207 3.753 3.960 -0.000 0.000 0.297 320 G C -0.481 174.246 174.900 -0.287 0.000 1.054 320 G CA 0.005 44.980 45.100 -0.208 0.000 1.123 320 G HN 0.433 nan 8.290 nan 0.000 0.512 321 L N -0.066 120.947 121.223 -0.351 0.000 2.323 321 L HA 0.821 5.161 4.340 -0.000 0.000 0.265 321 L C 1.039 177.781 176.870 -0.214 0.000 1.012 321 L CA -0.749 53.790 54.840 -0.501 0.000 0.820 321 L CB 2.090 43.755 42.059 -0.657 0.000 1.334 321 L HN 0.408 nan 8.230 nan 0.000 0.427 322 T N -3.015 111.525 114.554 -0.024 0.000 2.874 322 T HA 0.323 4.673 4.350 -0.000 0.000 0.281 322 T C -2.055 172.737 174.700 0.152 0.000 0.994 322 T CA -1.710 60.464 62.100 0.123 0.000 1.015 322 T CB 1.399 70.391 68.868 0.207 0.000 1.028 322 T HN 0.336 nan 8.240 nan 0.000 0.523 323 P HA -0.027 nan 4.420 nan 0.000 0.218 323 P C 1.025 178.379 177.300 0.090 0.000 1.148 323 P CA 0.926 64.042 63.100 0.027 0.000 0.822 323 P CB 0.003 31.510 31.700 -0.322 0.000 0.784 324 E N -2.013 118.230 120.200 0.072 0.000 2.338 324 E HA -0.157 4.193 4.350 -0.000 0.000 0.197 324 E C 1.597 178.261 176.600 0.106 0.000 1.007 324 E CA 0.761 57.200 56.400 0.065 0.000 0.849 324 E CB -0.839 28.864 29.700 0.004 0.000 0.774 324 E HN 0.456 nan 8.360 nan 0.000 0.506 325 H N -0.917 118.233 119.070 0.133 0.000 2.491 325 H HA 0.085 4.641 4.556 -0.000 0.000 0.290 325 H C 0.721 176.213 175.328 0.274 0.000 1.050 325 H CA 1.035 57.205 56.048 0.203 0.000 1.309 325 H CB 0.166 30.020 29.762 0.153 0.000 1.392 325 H HN 0.077 nan 8.280 nan 0.000 0.554 326 M N 0.529 120.352 119.600 0.372 0.000 2.876 326 M HA 0.154 4.633 4.480 -0.000 0.000 0.367 326 M C 1.104 177.628 176.300 0.374 0.000 1.242 326 M CA -0.154 55.359 55.300 0.355 0.000 0.889 326 M CB 0.735 33.517 32.600 0.304 0.000 1.353 326 M HN 0.253 nan 8.290 nan 0.000 0.511 327 R N 0.026 120.701 120.500 0.293 0.000 2.105 327 R HA -0.044 4.296 4.340 -0.000 0.000 0.239 327 R C 1.779 178.232 176.300 0.254 0.000 1.135 327 R CA 1.770 58.021 56.100 0.251 0.000 0.967 327 R CB -0.646 29.744 30.300 0.150 0.000 0.861 327 R HN 0.347 nan 8.270 nan 0.000 0.442 328 A N 1.259 124.214 122.820 0.224 0.000 1.968 328 A HA -0.019 4.301 4.320 -0.000 0.000 0.217 328 A C 2.230 179.935 177.584 0.201 0.000 1.169 328 A CA 1.290 53.449 52.037 0.202 0.000 0.638 328 A CB -0.307 18.805 19.000 0.188 0.000 0.812 328 A HN 0.390 nan 8.150 nan 0.000 0.446 329 S N -1.032 114.777 115.700 0.183 0.000 2.359 329 S HA -0.180 4.289 4.470 -0.000 0.000 0.224 329 S C 1.802 176.445 174.600 0.071 0.000 1.035 329 S CA 1.660 59.916 58.200 0.093 0.000 1.018 329 S CB -0.606 62.600 63.200 0.009 0.000 0.876 329 S HN 0.673 nan 8.310 nan 0.000 0.448 330 Y N 1.926 122.301 120.300 0.125 0.000 2.145 330 Y HA -0.165 4.385 4.550 -0.000 0.000 0.286 330 Y C 2.646 178.641 175.900 0.160 0.000 1.145 330 Y CA 1.498 59.682 58.100 0.140 0.000 1.148 330 Y CB -0.349 38.171 38.460 0.100 0.000 0.981 330 Y HN 0.296 nan 8.280 nan 0.000 0.507 331 D N 0.056 120.634 120.400 0.297 0.000 2.116 331 D HA -0.211 4.428 4.640 -0.000 0.000 0.193 331 D C 2.064 178.489 176.300 0.208 0.000 0.998 331 D CA 1.405 55.532 54.000 0.212 0.000 0.836 331 D CB 0.155 41.066 40.800 0.186 0.000 0.951 331 D HN 0.141 nan 8.370 nan 0.000 0.449 332 R N -0.448 120.196 120.500 0.241 0.000 2.066 332 R HA -0.105 4.234 4.340 -0.000 0.000 0.232 332 R C 2.243 178.686 176.300 0.239 0.000 1.131 332 R CA 0.984 57.255 56.100 0.285 0.000 0.955 332 R CB -1.533 28.930 30.300 0.272 0.000 0.851 332 R HN 0.356 nan 8.270 nan 0.000 0.432 333 Y N 0.772 121.111 120.300 0.065 0.000 2.128 333 Y HA -0.184 4.366 4.550 -0.000 0.000 0.284 333 Y C 1.909 177.812 175.900 0.006 0.000 1.154 333 Y CA 1.711 59.812 58.100 0.001 0.000 1.149 333 Y CB -0.292 38.116 38.460 -0.087 0.000 0.976 333 Y HN -0.020 nan 8.280 nan 0.000 0.505 334 I N 0.033 120.643 120.570 0.066 0.000 2.252 334 I HA -0.314 3.855 4.170 -0.000 0.000 0.245 334 I C 1.310 177.339 176.117 -0.145 0.000 1.102 334 I CA 1.992 63.269 61.300 -0.039 0.000 1.385 334 I CB -0.383 37.677 38.000 0.100 0.000 1.064 334 I HN 0.278 nan 8.210 nan 0.000 0.414 335 N N -1.484 117.119 118.700 -0.160 0.000 2.299 335 N HA 0.022 4.762 4.740 -0.000 0.000 0.187 335 N C 1.185 176.241 175.510 -0.758 0.000 1.099 335 N CA 0.397 53.209 53.050 -0.396 0.000 0.867 335 N CB 0.383 38.630 38.487 -0.400 0.000 0.974 335 N HN 0.337 nan 8.380 nan 0.000 0.477 336 H N -1.624 117.334 119.070 -0.186 0.000 3.734 336 H HA 0.276 4.832 4.556 -0.000 0.000 0.253 336 H C 1.164 176.428 175.328 -0.107 0.000 1.072 336 H CA 0.664 56.576 56.048 -0.228 0.000 1.147 336 H CB 1.005 30.505 29.762 -0.438 0.000 1.495 336 H HN 0.159 nan 8.280 nan 0.000 0.588 337 G N 2.004 110.768 108.800 -0.060 0.000 2.615 337 G HA2 -0.275 3.685 3.960 -0.000 0.000 0.218 337 G HA3 -0.275 3.685 3.960 -0.000 0.000 0.218 337 G C -0.391 174.539 174.900 0.051 0.000 1.339 337 G CA -0.226 44.791 45.100 -0.138 0.000 0.884 337 G HN 0.348 nan 8.290 nan 0.000 0.559 338 N N 0.528 119.259 118.700 0.052 0.000 2.500 338 N HA 0.470 5.210 4.740 -0.000 0.000 0.236 338 N C 0.726 176.427 175.510 0.318 0.000 1.022 338 N CA 0.314 53.456 53.050 0.154 0.000 0.935 338 N CB 0.653 39.128 38.487 -0.021 0.000 1.147 338 N HN 0.512 nan 8.380 nan 0.000 0.512 339 S N 1.505 117.392 115.700 0.311 0.000 2.763 339 S HA 0.056 4.526 4.470 -0.000 0.000 0.237 339 S C 0.830 175.566 174.600 0.228 0.000 0.966 339 S CA -0.083 58.276 58.200 0.265 0.000 1.017 339 S CB -0.619 62.704 63.200 0.204 0.000 0.780 339 S HN 0.747 nan 8.310 nan 0.000 0.476 340 S N 2.409 118.335 115.700 0.377 0.000 4.054 340 S HA -0.334 4.136 4.470 -0.000 0.000 0.618 340 S C 1.843 176.455 174.600 0.019 0.000 2.026 340 S CA 1.959 60.303 58.200 0.239 0.000 4.205 340 S CB -1.747 61.460 63.200 0.012 0.000 0.233 340 S HN 0.959 nan 8.310 nan 0.000 0.612 341 S N 1.482 117.111 115.700 -0.119 0.000 2.469 341 S HA 0.209 4.678 4.470 -0.000 0.000 0.238 341 S C 1.677 176.130 174.600 -0.245 0.000 0.998 341 S CA 1.478 59.543 58.200 -0.226 0.000 0.957 341 S CB -0.647 62.432 63.200 -0.202 0.000 0.764 341 S HN 1.571 nan 8.310 nan 0.000 0.514 342 A N 1.014 123.755 122.820 -0.133 0.000 2.218 342 A HA 0.219 4.539 4.320 -0.000 0.000 0.209 342 A C 2.098 179.632 177.584 -0.084 0.000 1.168 342 A CA 0.881 52.837 52.037 -0.134 0.000 0.804 342 A CB -0.824 18.114 19.000 -0.103 0.000 0.834 342 A HN 0.562 nan 8.150 nan 0.000 0.482 343 T N 0.155 114.718 114.554 0.015 0.000 2.812 343 T HA -0.093 4.256 4.350 -0.000 0.000 0.264 343 T C 1.795 176.555 174.700 0.101 0.000 1.042 343 T CA 1.366 63.547 62.100 0.136 0.000 1.140 343 T CB -0.281 68.769 68.868 0.305 0.000 0.870 343 T HN 0.364 nan 8.240 nan 0.000 0.445 344 I N 1.067 121.639 120.570 0.003 0.000 2.226 344 I HA -0.110 4.059 4.170 -0.000 0.000 0.245 344 I C 1.601 177.784 176.117 0.111 0.000 1.100 344 I CA 1.268 62.571 61.300 0.005 0.000 1.374 344 I CB -0.494 37.438 38.000 -0.113 0.000 1.057 344 I HN 0.065 nan 8.210 nan 0.000 0.413 345 F N -0.046 119.905 119.950 0.002 0.000 2.234 345 F HA -0.111 4.416 4.527 -0.000 0.000 0.299 345 F C 2.932 178.741 175.800 0.015 0.000 1.087 345 F CA 1.238 59.233 58.000 -0.007 0.000 1.340 345 F CB -1.810 37.173 39.000 -0.027 0.000 1.031 345 F HN 0.137 nan 8.300 nan 0.000 0.500 346 S N 0.023 115.833 115.700 0.182 0.000 2.356 346 S HA -0.121 4.349 4.470 -0.000 0.000 0.223 346 S C 2.335 177.039 174.600 0.174 0.000 1.032 346 S CA 1.278 59.556 58.200 0.130 0.000 1.005 346 S CB -0.501 62.754 63.200 0.092 0.000 0.867 346 S HN 0.079 nan 8.310 nan 0.000 0.449 347 V N 2.053 122.074 119.914 0.178 0.000 2.255 347 V HA -0.172 3.948 4.120 -0.000 0.000 0.247 347 V C 2.417 178.617 176.094 0.176 0.000 1.051 347 V CA 2.003 64.408 62.300 0.176 0.000 1.018 347 V CB -0.671 31.246 31.823 0.157 0.000 0.641 347 V HN 0.471 nan 8.190 nan 0.000 0.445 348 L N 0.091 121.418 121.223 0.172 0.000 2.093 348 L HA -0.172 4.168 4.340 -0.000 0.000 0.208 348 L C 2.432 179.461 176.870 0.266 0.000 1.085 348 L CA 1.854 56.797 54.840 0.171 0.000 0.755 348 L CB -0.652 41.445 42.059 0.063 0.000 0.904 348 L HN 0.442 nan 8.230 nan 0.000 0.435 349 N N 0.492 119.316 118.700 0.208 0.000 2.120 349 N HA -0.241 4.499 4.740 -0.000 0.000 0.188 349 N C 1.939 177.539 175.510 0.151 0.000 1.024 349 N CA 1.275 54.425 53.050 0.166 0.000 0.852 349 N CB -0.012 38.546 38.487 0.118 0.000 1.003 349 N HN 0.010 nan 8.380 nan 0.000 0.424 350 R N -0.044 120.551 120.500 0.159 0.000 2.115 350 R HA 0.035 4.375 4.340 -0.000 0.000 0.230 350 R C 1.967 178.355 176.300 0.147 0.000 1.111 350 R CA 0.715 56.905 56.100 0.149 0.000 0.976 350 R CB -0.829 29.570 30.300 0.167 0.000 0.870 350 R HN 0.342 nan 8.270 nan 0.000 0.445 351 L N 1.068 122.398 121.223 0.177 0.000 2.079 351 L HA -0.140 4.200 4.340 -0.000 0.000 0.210 351 L C 1.545 178.502 176.870 0.146 0.000 1.081 351 L CA 1.889 56.839 54.840 0.182 0.000 0.752 351 L CB -0.284 41.916 42.059 0.234 0.000 0.896 351 L HN 0.239 nan 8.230 nan 0.000 0.433 352 R N -0.402 120.173 120.500 0.124 0.000 2.334 352 R HA 0.201 4.541 4.340 -0.000 0.000 0.220 352 R C 0.091 176.406 176.300 0.024 0.000 0.917 352 R CA 0.004 56.126 56.100 0.037 0.000 1.073 352 R CB -1.194 29.063 30.300 -0.071 0.000 1.056 352 R HN 0.358 nan 8.270 nan 0.000 0.506 353 E N 1.929 122.160 120.200 0.052 0.000 2.313 353 E HA 0.097 4.447 4.350 -0.000 0.000 0.276 353 E C 0.146 176.769 176.600 0.039 0.000 1.031 353 E CA -0.557 55.868 56.400 0.043 0.000 0.857 353 E CB 0.910 30.646 29.700 0.059 0.000 1.040 353 E HN 0.019 nan 8.360 nan 0.000 0.408 354 K N 2.370 122.786 120.400 0.026 0.000 2.089 354 K HA -0.212 4.108 4.320 -0.000 0.000 0.210 354 K C 1.182 177.800 176.600 0.029 0.000 1.048 354 K CA 1.623 57.923 56.287 0.022 0.000 0.926 354 K CB -0.272 32.236 32.500 0.015 0.000 0.714 354 K HN 0.619 nan 8.250 nan 0.000 0.448 355 D N -0.213 120.208 120.400 0.035 0.000 2.363 355 D HA -0.081 4.559 4.640 -0.000 0.000 0.226 355 D C 1.413 177.742 176.300 0.047 0.000 1.020 355 D CA 0.425 54.447 54.000 0.036 0.000 0.892 355 D CB 0.063 40.884 40.800 0.035 0.000 0.900 355 D HN 0.064 nan 8.370 nan 0.000 0.531 356 M N 0.322 119.955 119.600 0.056 0.000 2.466 356 M HA 0.014 4.494 4.480 -0.000 0.000 0.265 356 M C 0.812 177.147 176.300 0.058 0.000 1.122 356 M CA 0.539 55.880 55.300 0.069 0.000 1.157 356 M CB -0.100 32.556 32.600 0.093 0.000 1.352 356 M HN -0.087 nan 8.290 nan 0.000 0.464 357 D N 1.435 121.864 120.400 0.048 0.000 2.149 357 D HA -0.098 4.542 4.640 -0.000 0.000 0.198 357 D C 1.903 178.220 176.300 0.029 0.000 0.990 357 D CA 1.484 55.506 54.000 0.037 0.000 0.839 357 D CB -0.195 40.621 40.800 0.027 0.000 0.948 357 D HN 0.303 nan 8.370 nan 0.000 0.460 358 A N 0.130 122.966 122.820 0.026 0.000 2.067 358 A HA -0.043 4.276 4.320 -0.000 0.000 0.219 358 A C 2.064 179.659 177.584 0.017 0.000 1.158 358 A CA 0.692 52.741 52.037 0.019 0.000 0.661 358 A CB -0.414 18.598 19.000 0.019 0.000 0.801 358 A HN 0.244 nan 8.150 nan 0.000 0.452 359 L N -0.462 120.775 121.223 0.024 0.000 2.628 359 L HA 0.248 4.588 4.340 -0.000 0.000 0.229 359 L C 1.145 178.022 176.870 0.012 0.000 1.137 359 L CA -0.298 54.553 54.840 0.019 0.000 0.909 359 L CB -0.187 41.890 42.059 0.029 0.000 1.137 359 L HN 0.351 nan 8.230 nan 0.000 0.470 360 A N 1.278 124.106 122.820 0.013 0.000 2.540 360 A HA 0.234 4.554 4.320 -0.000 0.000 0.239 360 A C -2.165 175.397 177.584 -0.038 0.000 1.061 360 A CA -0.770 51.265 52.037 -0.002 0.000 0.758 360 A CB -0.563 18.445 19.000 0.013 0.000 0.991 360 A HN -0.015 nan 8.150 nan 0.000 0.502 361 P HA 0.245 nan 4.420 nan 0.000 0.264 361 P C 0.978 178.234 177.300 -0.074 0.000 1.193 361 P CA 1.658 64.679 63.100 -0.132 0.000 0.763 361 P CB 0.570 32.041 31.700 -0.383 0.000 0.810 362 G N 3.142 111.921 108.800 -0.035 0.000 2.203 362 G HA2 -0.175 3.785 3.960 -0.000 0.000 0.263 362 G HA3 -0.175 3.785 3.960 -0.000 0.000 0.263 362 G C 0.930 175.822 174.900 -0.013 0.000 1.012 362 G CA 0.618 45.708 45.100 -0.017 0.000 0.749 362 G HN 1.030 nan 8.290 nan 0.000 0.512 363 G N -1.373 107.420 108.800 -0.011 0.000 2.212 363 G HA2 -0.301 3.658 3.960 -0.000 0.000 0.267 363 G HA3 -0.301 3.658 3.960 -0.000 0.000 0.267 363 G C 0.335 175.237 174.900 0.003 0.000 1.002 363 G CA 1.157 46.255 45.100 -0.003 0.000 0.729 363 G HN 0.965 nan 8.290 nan 0.000 0.517 364 K N 0.800 121.200 120.400 0.001 0.000 2.473 364 K HA 0.445 4.765 4.320 -0.000 0.000 0.246 364 K C 0.351 176.972 176.600 0.034 0.000 1.011 364 K CA -0.661 55.635 56.287 0.015 0.000 0.984 364 K CB 1.837 34.341 32.500 0.006 0.000 1.250 364 K HN 0.105 nan 8.250 nan 0.000 0.454 365 V N 4.412 124.353 119.914 0.045 0.000 2.458 365 V HA -0.033 4.087 4.120 -0.000 0.000 0.287 365 V C 0.870 177.027 176.094 0.105 0.000 1.009 365 V CA -0.004 62.335 62.300 0.065 0.000 1.091 365 V CB -0.281 31.570 31.823 0.048 0.000 0.960 365 V HN 0.350 nan 8.190 nan 0.000 0.476 366 K N 4.037 124.528 120.400 0.152 0.000 2.295 366 K HA 0.167 4.487 4.320 -0.000 0.000 0.270 366 K C 1.005 177.712 176.600 0.178 0.000 1.011 366 K CA -0.079 56.366 56.287 0.263 0.000 0.953 366 K CB 1.053 33.759 32.500 0.343 0.000 0.956 366 K HN 0.743 nan 8.250 nan 0.000 0.477 367 E N 0.960 121.242 120.200 0.137 0.000 2.400 367 E HA -0.010 4.340 4.350 -0.000 0.000 0.195 367 E C -0.538 175.732 176.600 -0.550 0.000 1.012 367 E CA 0.396 56.651 56.400 -0.241 0.000 0.875 367 E CB 0.380 29.889 29.700 -0.319 0.000 0.859 367 E HN 0.420 nan 8.360 nan 0.000 0.498 368 Y N -0.669 119.505 120.300 -0.210 0.000 2.446 368 Y HA 0.465 5.014 4.550 -0.000 0.000 0.345 368 Y C -0.636 175.419 175.900 0.257 0.000 0.984 368 Y CA -1.078 57.023 58.100 0.001 0.000 1.058 368 Y CB 2.052 40.494 38.460 -0.031 0.000 1.220 368 Y HN -0.340 nan 8.280 nan 0.000 0.455 369 V N 3.852 123.936 119.914 0.283 0.000 2.525 369 V HA 0.385 4.505 4.120 -0.000 0.000 0.299 369 V C -0.824 175.220 176.094 -0.084 0.000 1.034 369 V CA -0.968 61.407 62.300 0.125 0.000 0.863 369 V CB 1.770 33.643 31.823 0.083 0.000 0.999 369 V HN 0.526 nan 8.190 nan 0.000 0.423 370 V N 3.942 123.656 119.914 -0.333 0.000 2.383 370 V HA 0.666 4.786 4.120 -0.000 0.000 0.275 370 V C 0.894 176.760 176.094 -0.379 0.000 1.036 370 V CA -0.136 61.812 62.300 -0.586 0.000 0.889 370 V CB 1.431 32.443 31.823 -1.352 0.000 0.985 370 V HN 0.952 nan 8.190 nan 0.000 0.459 371 G N 2.663 111.322 108.800 -0.235 0.000 2.367 371 G HA2 0.534 4.493 3.960 -0.000 0.000 0.314 371 G HA3 0.534 4.493 3.960 -0.000 0.000 0.314 371 G C -0.927 173.907 174.900 -0.110 0.000 1.130 371 G CA -0.343 44.685 45.100 -0.120 0.000 0.864 371 G HN 0.870 nan 8.290 nan 0.000 0.486 372 C N 1.262 120.530 119.300 -0.053 0.000 2.811 372 C HA 0.875 5.334 4.460 -0.000 0.000 0.352 372 C C -0.260 174.624 174.990 -0.175 0.000 1.098 372 C CA 0.270 59.221 59.018 -0.113 0.000 1.295 372 C CB 0.303 28.059 27.740 0.027 0.000 1.758 372 C HN 1.349 nan 8.230 nan 0.000 0.488 373 A N 4.058 126.642 122.820 -0.393 0.000 2.594 373 A HA 0.960 5.280 4.320 -0.000 0.000 0.295 373 A C -1.655 175.569 177.584 -0.601 0.000 1.071 373 A CA -0.380 51.452 52.037 -0.341 0.000 0.685 373 A CB 0.972 19.830 19.000 -0.237 0.000 1.285 373 A HN 0.785 nan 8.150 nan 0.000 0.405 374 F N 0.090 120.070 119.950 0.050 0.000 2.588 374 F HA 0.852 5.379 4.527 -0.000 0.000 0.314 374 F C 0.767 176.570 175.800 0.004 0.000 1.069 374 F CA 0.043 58.063 58.000 0.033 0.000 0.931 374 F CB 2.787 41.824 39.000 0.061 0.000 1.260 374 F HN 1.033 nan 8.300 nan 0.000 0.465 375 G N 0.218 109.128 108.800 0.183 0.000 2.548 375 G HA2 0.555 4.515 3.960 -0.000 0.000 0.301 375 G HA3 0.555 4.515 3.960 -0.000 0.000 0.301 375 G C -3.360 171.578 174.900 0.062 0.000 1.349 375 G CA -1.614 43.541 45.100 0.091 0.000 0.792 375 G HN 0.222 nan 8.290 nan 0.000 0.481 376 P HA 0.173 nan 4.420 nan 0.000 0.257 376 P C 0.826 178.136 177.300 0.017 0.000 1.144 376 P CA 2.087 65.194 63.100 0.012 0.000 0.761 376 P CB 0.687 32.376 31.700 -0.019 0.000 0.734 377 G N 3.222 112.036 108.800 0.023 0.000 4.460 377 G HA2 -0.081 3.879 3.960 -0.000 0.000 0.182 377 G HA3 -0.081 3.879 3.960 -0.000 0.000 0.182 377 G C -0.170 174.748 174.900 0.030 0.000 1.512 377 G CA -0.444 44.674 45.100 0.029 0.000 0.856 377 G HN 0.435 nan 8.290 nan 0.000 0.289 378 I N 2.944 123.531 120.570 0.029 0.000 2.533 378 I HA 0.219 4.389 4.170 -0.000 0.000 0.284 378 I C -0.520 175.644 176.117 0.078 0.000 1.109 378 I CA -0.392 60.939 61.300 0.051 0.000 1.412 378 I CB 0.788 38.813 38.000 0.043 0.000 1.396 378 I HN 0.103 nan 8.210 nan 0.000 0.543 379 N N 5.701 124.451 118.700 0.083 0.000 2.455 379 N HA 0.394 5.134 4.740 -0.000 0.000 0.280 379 N C -0.880 174.699 175.510 0.116 0.000 1.055 379 N CA -0.319 52.775 53.050 0.073 0.000 0.961 379 N CB 1.852 40.355 38.487 0.027 0.000 1.121 379 N HN 0.188 nan 8.380 nan 0.000 0.476 380 V N 2.223 122.191 119.914 0.091 0.000 2.448 380 V HA 0.383 4.503 4.120 -0.000 0.000 0.295 380 V C -0.280 175.773 176.094 -0.068 0.000 1.025 380 V CA -0.651 61.668 62.300 0.031 0.000 0.859 380 V CB 1.617 33.527 31.823 0.145 0.000 0.988 380 V HN 0.504 nan 8.190 nan 0.000 0.431 381 E N 5.075 125.163 120.200 -0.187 0.000 2.210 381 E HA 0.640 4.990 4.350 -0.000 0.000 0.266 381 E C -1.023 175.487 176.600 -0.150 0.000 0.883 381 E CA -0.481 55.843 56.400 -0.127 0.000 0.761 381 E CB 2.728 32.351 29.700 -0.130 0.000 1.156 381 E HN 0.543 nan 8.360 nan 0.000 0.412 382 M N 1.472 121.033 119.600 -0.065 0.000 2.518 382 M HA 0.492 4.971 4.480 -0.000 0.000 0.300 382 M C -0.724 175.573 176.300 -0.006 0.000 1.175 382 M CA -0.868 54.394 55.300 -0.064 0.000 0.890 382 M CB 2.286 34.855 32.600 -0.051 0.000 1.710 382 M HN 0.763 nan 8.290 nan 0.000 0.453 383 C N 1.425 120.699 119.300 -0.043 0.000 2.994 383 C HA 0.879 5.339 4.460 -0.000 0.000 0.305 383 C C -0.899 174.043 174.990 -0.081 0.000 1.251 383 C CA -0.982 58.044 59.018 0.012 0.000 1.478 383 C CB 1.649 29.424 27.740 0.058 0.000 1.922 383 C HN 0.975 nan 8.230 nan 0.000 0.472 384 M N 3.147 122.721 119.600 -0.044 0.000 2.205 384 M HA 0.764 5.244 4.480 -0.000 0.000 0.344 384 M C -1.247 175.067 176.300 0.024 0.000 1.085 384 M CA -0.840 54.423 55.300 -0.062 0.000 1.001 384 M CB 0.701 33.251 32.600 -0.083 0.000 1.626 384 M HN 0.782 nan 8.290 nan 0.000 0.442 385 L N 3.734 124.972 121.223 0.026 0.000 2.342 385 L HA 0.623 4.963 4.340 -0.000 0.000 0.271 385 L C -0.546 176.389 176.870 0.108 0.000 1.008 385 L CA -0.966 53.904 54.840 0.050 0.000 0.818 385 L CB 2.030 44.034 42.059 -0.093 0.000 1.296 385 L HN 0.621 nan 8.230 nan 0.000 0.427 386 K N 2.385 122.819 120.400 0.056 0.000 2.235 386 K HA 0.375 4.695 4.320 -0.000 0.000 0.266 386 K C -0.579 175.982 176.600 -0.065 0.000 0.980 386 K CA -0.694 55.476 56.287 -0.194 0.000 0.849 386 K CB 1.395 33.742 32.500 -0.256 0.000 1.098 386 K HN 0.501 nan 8.250 nan 0.000 0.445 387 R N 4.520 124.939 120.500 -0.135 0.000 2.234 387 R HA 0.173 4.512 4.340 -0.000 0.000 0.324 387 R C -0.103 176.088 176.300 -0.182 0.000 1.054 387 R CA -0.557 55.481 56.100 -0.104 0.000 0.912 387 R CB 0.554 30.828 30.300 -0.044 0.000 1.030 387 R HN 0.604 nan 8.270 nan 0.000 0.455 388 R N 0.000 120.388 120.500 -0.187 0.000 2.786 388 R HA 0.000 4.340 4.340 -0.000 0.000 0.208 388 R CA 0.000 56.012 56.100 -0.146 0.000 0.921 388 R CB 0.000 30.223 30.300 -0.128 0.000 0.687 388 R HN 0.000 nan 8.270 nan 0.000 0.535