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 1lj5_1_A DATA FIRST_RESID 1 DATA SEQUENCE VHHPPSYVAH LASDFGVRVF QQVAQASKDR NVVFSPYGVA SVLAMLQLTT DATA SEQUENCE GGETQQQIQA AMGFKIDDKG MAPALRHLYK ELMGPWNKDE ISTTDAIFVQ DATA SEQUENCE RDLKLVQGFM PHFFRLFRST VKQVDFSEVE RARFIINDWV KTHTKGMISN DATA SEQUENCE LLGKGAVDQL TRLVLVNALY FNGQWKTPFP DSSTHRRLFH KSDGSTVSVP DATA SEQUENCE MMAQTNKFNY TEFTTPDGHY YDILELPYHG DTLSMFIAAP YEKEVPLSAL DATA SEQUENCE TNILSAQLIS HWKGNMTRLP RLLVLPKFSL ETEVDLRKPL ENLGMTDMFR DATA SEQUENCE QFQADFTSLS DQEPLHVAQA LQKVKIEVNE SGTVASSSTA VIVSARMAPE DATA SEQUENCE EIIMDRPFLF VVRHNPTGTV LFMGQVMEP VARS RESID RESNAME ATOMNAME SS_SHIFT SHIFT RC_SHIFT HM_SHIFT EF_SHIFT SIGMA FORMAT %4d %4s %4s %9.3f %9.3f %9.3f %9.3f %9.3f %9.3f 1 V HA 0.000 nan 4.120 nan 0.000 0.244 1 V C 0.000 176.038 176.094 -0.093 0.000 1.182 1 V CA 0.000 62.241 62.300 -0.099 0.000 1.235 1 V CB 0.000 31.787 31.823 -0.060 0.000 1.184 2 H N 0.832 119.895 119.070 -0.012 0.000 2.757 2 H HA 0.290 4.852 4.556 0.009 0.000 0.370 2 H C 0.101 175.473 175.328 0.073 0.000 1.172 2 H CA 0.943 57.013 56.048 0.036 0.000 1.426 2 H CB 0.613 30.400 29.762 0.041 0.000 1.438 2 H HN 1.015 nan 8.280 nan 0.000 0.612 3 H N 3.644 122.804 119.070 0.148 0.000 3.187 3 H HA -0.024 4.537 4.556 0.009 0.000 0.286 3 H C -1.671 173.692 175.328 0.059 0.000 0.944 3 H CA -1.388 54.700 56.048 0.068 0.000 1.429 3 H CB 0.391 30.183 29.762 0.050 0.000 1.483 3 H HN 0.371 nan 8.280 nan 0.000 0.555 4 P HA -0.144 nan 4.420 nan 0.000 0.216 4 P C -1.450 175.717 177.300 -0.222 0.000 1.150 4 P CA 1.358 64.375 63.100 -0.137 0.000 0.843 4 P CB -0.386 31.255 31.700 -0.099 0.000 0.787 5 P HA -0.065 nan 4.420 nan 0.000 0.220 5 P C 1.564 178.772 177.300 -0.154 0.000 1.148 5 P CA 1.563 64.418 63.100 -0.407 0.000 0.803 5 P CB -0.376 30.931 31.700 -0.655 0.000 0.782 6 S N -1.838 113.825 115.700 -0.061 0.000 2.406 6 S HA -0.156 4.319 4.470 0.009 0.000 0.228 6 S C 1.731 176.361 174.600 0.051 0.000 1.020 6 S CA 0.708 58.947 58.200 0.064 0.000 0.965 6 S CB -0.969 62.319 63.200 0.146 0.000 0.798 6 S HN 0.192 nan 8.310 nan 0.000 0.488 7 Y N 2.909 123.168 120.300 -0.068 0.000 2.133 7 Y HA -0.152 4.404 4.550 0.009 0.000 0.287 7 Y C 2.308 178.175 175.900 -0.055 0.000 1.134 7 Y CA 1.533 59.596 58.100 -0.062 0.000 1.133 7 Y CB -0.690 37.731 38.460 -0.065 0.000 0.987 7 Y HN 0.121 nan 8.280 nan 0.000 0.502 8 V N -0.774 118.999 119.914 -0.234 0.000 2.626 8 V HA -0.082 4.043 4.120 0.009 0.000 0.252 8 V C 2.353 178.299 176.094 -0.246 0.000 1.067 8 V CA 1.538 63.600 62.300 -0.397 0.000 1.081 8 V CB -1.877 29.753 31.823 -0.321 0.000 0.686 8 V HN 0.433 nan 8.190 nan 0.000 0.468 9 A N 0.370 123.122 122.820 -0.112 0.000 1.933 9 A HA -0.240 4.085 4.320 0.009 0.000 0.218 9 A C 2.158 179.715 177.584 -0.044 0.000 1.175 9 A CA 2.126 54.146 52.037 -0.029 0.000 0.628 9 A CB -0.980 18.026 19.000 0.010 0.000 0.814 9 A HN 0.844 nan 8.150 nan 0.000 0.444 10 H N -0.176 118.808 119.070 -0.142 0.000 2.357 10 H HA 0.044 4.606 4.556 0.009 0.000 0.301 10 H C 1.740 176.990 175.328 -0.130 0.000 1.082 10 H CA 1.780 57.747 56.048 -0.135 0.000 1.342 10 H CB -0.226 29.444 29.762 -0.155 0.000 1.389 10 H HN 0.348 nan 8.280 nan 0.000 0.511 11 L N -0.134 120.945 121.223 -0.240 0.000 2.017 11 L HA -0.157 4.188 4.340 0.009 0.000 0.208 11 L C 2.861 179.711 176.870 -0.033 0.000 1.073 11 L CA 1.087 55.826 54.840 -0.168 0.000 0.745 11 L CB -0.755 41.160 42.059 -0.240 0.000 0.894 11 L HN 0.461 nan 8.230 nan 0.000 0.432 12 A N -0.568 122.235 122.820 -0.028 0.000 1.877 12 A HA -0.183 4.142 4.320 0.009 0.000 0.216 12 A C 2.507 180.157 177.584 0.110 0.000 1.186 12 A CA 2.107 54.208 52.037 0.107 0.000 0.620 12 A CB -0.611 18.448 19.000 0.099 0.000 0.822 12 A HN 0.376 nan 8.150 nan 0.000 0.443 13 S N -0.273 115.423 115.700 -0.006 0.000 2.383 13 S HA -0.152 4.323 4.470 0.009 0.000 0.227 13 S C 1.857 176.399 174.600 -0.096 0.000 1.026 13 S CA 1.121 59.295 58.200 -0.043 0.000 0.981 13 S CB -0.378 62.765 63.200 -0.095 0.000 0.818 13 S HN 0.738 nan 8.310 nan 0.000 0.472 14 D N 0.472 120.741 120.400 -0.218 0.000 2.117 14 D HA -0.148 4.497 4.640 0.009 0.000 0.197 14 D C 1.839 178.132 176.300 -0.012 0.000 0.987 14 D CA 0.942 54.822 54.000 -0.200 0.000 0.829 14 D CB -0.129 40.464 40.800 -0.345 0.000 0.961 14 D HN 0.366 nan 8.370 nan 0.000 0.460 15 F N 1.466 121.375 119.950 -0.068 0.000 2.102 15 F HA 0.008 4.540 4.527 0.010 0.000 0.298 15 F C 2.285 178.109 175.800 0.039 0.000 1.105 15 F CA 2.232 60.230 58.000 -0.003 0.000 1.239 15 F CB -0.721 38.293 39.000 0.023 0.000 0.991 15 F HN -0.024 nan 8.300 nan 0.000 0.474 16 G N -0.140 108.661 108.800 0.000 0.000 2.422 16 G HA2 -0.191 3.774 3.960 0.009 0.000 0.218 16 G HA3 -0.191 3.774 3.960 0.009 0.000 0.218 16 G C 1.714 176.646 174.900 0.053 0.000 1.146 16 G CA 1.126 46.222 45.100 -0.006 0.000 0.769 16 G HN 0.358 nan 8.290 nan 0.000 0.547 17 V N 0.355 120.270 119.914 0.001 0.000 2.515 17 V HA -0.094 4.031 4.120 0.009 0.000 0.250 17 V C 2.858 178.938 176.094 -0.024 0.000 1.058 17 V CA 1.615 63.919 62.300 0.006 0.000 1.064 17 V CB -0.394 31.391 31.823 -0.065 0.000 0.675 17 V HN 0.302 nan 8.190 nan 0.000 0.461 18 R N -0.501 119.939 120.500 -0.100 0.000 2.115 18 R HA -0.092 4.253 4.340 0.009 0.000 0.230 18 R C 2.205 178.392 176.300 -0.189 0.000 1.111 18 R CA 1.162 57.186 56.100 -0.126 0.000 0.976 18 R CB -0.341 29.892 30.300 -0.112 0.000 0.870 18 R HN 0.409 nan 8.270 nan 0.000 0.445 19 V N 0.488 120.244 119.914 -0.263 0.000 2.307 19 V HA -0.235 3.890 4.120 0.009 0.000 0.245 19 V C 1.891 177.774 176.094 -0.350 0.000 1.045 19 V CA 1.636 63.772 62.300 -0.275 0.000 1.024 19 V CB -0.556 31.140 31.823 -0.212 0.000 0.651 19 V HN 0.216 nan 8.190 nan 0.000 0.449 20 F N 0.988 120.614 119.950 -0.540 0.000 2.161 20 F HA -0.273 4.259 4.527 0.009 0.000 0.300 20 F C 2.578 178.135 175.800 -0.405 0.000 1.089 20 F CA 2.343 59.904 58.000 -0.731 0.000 1.282 20 F CB -0.356 38.330 39.000 -0.523 0.000 1.010 20 F HN 0.169 nan 8.300 nan 0.000 0.485 21 Q N -0.331 119.302 119.800 -0.278 0.000 2.096 21 Q HA -0.245 4.100 4.340 0.009 0.000 0.204 21 Q C 2.169 177.977 176.000 -0.321 0.000 0.982 21 Q CA 1.728 57.370 55.803 -0.268 0.000 0.850 21 Q CB -0.146 28.521 28.738 -0.119 0.000 0.901 21 Q HN 0.429 nan 8.270 nan 0.000 0.422 22 Q N -0.385 119.242 119.800 -0.287 0.000 2.119 22 Q HA -0.104 4.241 4.340 0.009 0.000 0.201 22 Q C 2.250 178.072 176.000 -0.298 0.000 0.972 22 Q CA 1.234 56.894 55.803 -0.238 0.000 0.847 22 Q CB -0.264 28.364 28.738 -0.185 0.000 0.903 22 Q HN 0.311 nan 8.270 nan 0.000 0.433 23 V N 1.235 120.892 119.914 -0.428 0.000 2.343 23 V HA -0.248 3.877 4.120 0.009 0.000 0.247 23 V C 2.367 178.181 176.094 -0.468 0.000 1.051 23 V CA 1.821 63.851 62.300 -0.450 0.000 1.036 23 V CB -1.045 30.415 31.823 -0.605 0.000 0.654 23 V HN 0.322 nan 8.190 nan 0.000 0.451 24 A N -0.841 121.596 122.820 -0.639 0.000 1.898 24 A HA -0.234 4.091 4.320 0.009 0.000 0.216 24 A C 2.154 179.575 177.584 -0.272 0.000 1.181 24 A CA 1.556 53.297 52.037 -0.493 0.000 0.620 24 A CB -0.425 18.232 19.000 -0.571 0.000 0.819 24 A HN 0.620 nan 8.150 nan 0.000 0.442 25 Q N -0.713 118.945 119.800 -0.237 0.000 2.291 25 Q HA -0.001 4.344 4.340 0.009 0.000 0.205 25 Q C 2.157 178.081 176.000 -0.126 0.000 0.970 25 Q CA 0.961 56.674 55.803 -0.151 0.000 0.876 25 Q CB -0.270 28.390 28.738 -0.129 0.000 0.935 25 Q HN 0.689 nan 8.270 nan 0.000 0.455 26 A N 0.403 123.135 122.820 -0.147 0.000 2.016 26 A HA 0.034 4.359 4.320 0.009 0.000 0.217 26 A C 0.770 178.296 177.584 -0.097 0.000 1.162 26 A CA 0.419 52.387 52.037 -0.115 0.000 0.662 26 A CB 0.502 19.428 19.000 -0.123 0.000 0.812 26 A HN 0.118 nan 8.150 nan 0.000 0.450 27 S N -0.000 115.634 115.700 -0.110 0.000 2.779 27 S HA 0.321 4.796 4.470 0.009 0.000 0.293 27 S C -0.550 174.005 174.600 -0.076 0.000 1.150 27 S CA -0.748 57.403 58.200 -0.082 0.000 1.057 27 S CB 1.408 64.560 63.200 -0.080 0.000 1.021 27 S HN 0.447 nan 8.310 nan 0.000 0.485 28 K N 2.361 122.730 120.400 -0.052 0.000 2.472 28 K HA -0.027 4.298 4.320 0.009 0.000 0.280 28 K C -0.497 176.085 176.600 -0.029 0.000 1.028 28 K CA 0.491 56.755 56.287 -0.038 0.000 1.045 28 K CB 0.068 32.555 32.500 -0.021 0.000 0.902 28 K HN 0.597 nan 8.250 nan 0.000 0.478 29 D N 1.619 122.004 120.400 -0.025 0.000 2.772 29 D HA -0.213 4.433 4.640 0.009 0.000 0.233 29 D C -0.182 176.107 176.300 -0.018 0.000 1.143 29 D CA 0.895 54.888 54.000 -0.012 0.000 0.700 29 D CB -0.761 40.041 40.800 0.004 0.000 1.076 29 D HN 0.635 nan 8.370 nan 0.000 0.430 30 R N 0.806 121.283 120.500 -0.039 0.000 2.537 30 R HA 0.163 4.508 4.340 0.009 0.000 0.280 30 R C 0.021 176.314 176.300 -0.012 0.000 1.058 30 R CA 0.038 56.117 56.100 -0.034 0.000 1.057 30 R CB 0.421 30.680 30.300 -0.069 0.000 0.973 30 R HN 0.081 nan 8.270 nan 0.000 0.438 31 N N 3.037 121.740 118.700 0.004 0.000 2.439 31 N HA 0.268 5.014 4.740 0.009 0.000 0.249 31 N C -1.423 174.120 175.510 0.056 0.000 1.003 31 N CA -0.436 52.624 53.050 0.016 0.000 0.942 31 N CB 1.881 40.371 38.487 0.006 0.000 1.115 31 N HN 0.199 nan 8.380 nan 0.000 0.505 32 V N 2.714 122.688 119.914 0.100 0.000 3.147 32 V HA 0.472 4.597 4.120 0.009 0.000 0.299 32 V C -1.447 174.793 176.094 0.243 0.000 1.302 32 V CA -0.541 61.857 62.300 0.163 0.000 1.015 32 V CB 2.316 34.223 31.823 0.141 0.000 1.086 32 V HN 0.179 nan 8.190 nan 0.000 0.437 33 V N 5.311 125.400 119.914 0.291 0.000 2.680 33 V HA 0.743 4.869 4.120 0.009 0.000 0.309 33 V C -0.764 175.585 176.094 0.425 0.000 1.052 33 V CA -0.474 62.031 62.300 0.342 0.000 0.908 33 V CB 1.631 33.676 31.823 0.370 0.000 1.001 33 V HN 0.846 nan 8.190 nan 0.000 0.431 34 F N 2.049 122.113 119.950 0.190 0.000 2.662 34 F HA 0.712 5.242 4.527 0.006 0.000 0.312 34 F C -0.318 175.559 175.800 0.129 0.000 1.113 34 F CA -0.415 57.690 58.000 0.174 0.000 0.951 34 F CB 2.372 41.505 39.000 0.221 0.000 1.344 34 F HN 0.375 nan 8.300 nan 0.000 0.462 35 S N 4.459 119.708 115.700 -0.752 0.000 2.745 35 S HA 0.447 4.922 4.470 0.009 0.000 0.283 35 S C -2.439 171.772 174.600 -0.648 0.000 1.170 35 S CA -1.449 56.388 58.200 -0.605 0.000 1.119 35 S CB 1.349 64.209 63.200 -0.566 0.000 1.035 35 S HN 0.397 nan 8.310 nan 0.000 0.483 36 P HA -0.096 nan 4.420 nan 0.000 0.216 36 P C 0.933 178.219 177.300 -0.023 0.000 1.153 36 P CA 0.746 63.839 63.100 -0.012 0.000 0.848 36 P CB -0.042 31.694 31.700 0.061 0.000 0.787 37 Y N 0.665 120.857 120.300 -0.180 0.000 2.181 37 Y HA -0.127 4.428 4.550 0.008 0.000 0.288 37 Y C 2.395 178.229 175.900 -0.109 0.000 1.146 37 Y CA 2.042 60.065 58.100 -0.128 0.000 1.164 37 Y CB -1.142 37.210 38.460 -0.180 0.000 0.982 37 Y HN -0.139 nan 8.280 nan 0.000 0.515 38 G N -0.685 107.995 108.800 -0.200 0.000 2.421 38 G HA2 -0.282 3.683 3.960 0.009 0.000 0.216 38 G HA3 -0.282 3.683 3.960 0.009 0.000 0.216 38 G C 1.819 176.613 174.900 -0.177 0.000 1.171 38 G CA 1.195 46.162 45.100 -0.222 0.000 0.775 38 G HN 0.416 nan 8.290 nan 0.000 0.543 39 V N 1.175 120.996 119.914 -0.155 0.000 2.427 39 V HA 0.061 4.186 4.120 0.009 0.000 0.248 39 V C 3.140 179.311 176.094 0.128 0.000 1.051 39 V CA 2.292 64.593 62.300 0.001 0.000 1.048 39 V CB -0.511 31.345 31.823 0.054 0.000 0.666 39 V HN 0.433 nan 8.190 nan 0.000 0.456 40 A N -0.694 122.203 122.820 0.127 0.000 1.933 40 A HA -0.176 4.149 4.320 0.009 0.000 0.218 40 A C 2.439 180.017 177.584 -0.011 0.000 1.175 40 A CA 2.279 54.420 52.037 0.174 0.000 0.628 40 A CB -0.801 18.297 19.000 0.164 0.000 0.814 40 A HN 0.591 nan 8.150 nan 0.000 0.444 41 S N -0.413 115.178 115.700 -0.181 0.000 2.356 41 S HA -0.140 4.336 4.470 0.009 0.000 0.223 41 S C 1.880 176.447 174.600 -0.055 0.000 1.032 41 S CA 1.530 59.624 58.200 -0.177 0.000 1.005 41 S CB -0.503 62.501 63.200 -0.326 0.000 0.867 41 S HN 0.345 nan 8.310 nan 0.000 0.449 42 V N 2.072 121.962 119.914 -0.040 0.000 2.427 42 V HA -0.066 4.059 4.120 0.009 0.000 0.248 42 V C 2.159 178.258 176.094 0.007 0.000 1.051 42 V CA 1.128 63.422 62.300 -0.010 0.000 1.048 42 V CB -0.561 31.271 31.823 0.016 0.000 0.666 42 V HN 0.408 nan 8.190 nan 0.000 0.456 43 L N -0.017 121.223 121.223 0.029 0.000 2.275 43 L HA -0.062 4.284 4.340 0.009 0.000 0.215 43 L C 2.628 179.458 176.870 -0.067 0.000 1.119 43 L CA 1.869 56.704 54.840 -0.010 0.000 0.790 43 L CB -1.393 40.673 42.059 0.010 0.000 0.919 43 L HN 0.406 nan 8.230 nan 0.000 0.443 44 A N -0.461 122.354 122.820 -0.009 0.000 1.930 44 A HA -0.190 4.135 4.320 0.009 0.000 0.217 44 A C 2.307 179.988 177.584 0.162 0.000 1.175 44 A CA 1.261 53.348 52.037 0.083 0.000 0.627 44 A CB -0.244 18.901 19.000 0.242 0.000 0.815 44 A HN 0.312 nan 8.150 nan 0.000 0.443 45 M N -1.358 118.276 119.600 0.056 0.000 2.200 45 M HA -0.057 4.428 4.480 0.009 0.000 0.265 45 M C 2.096 178.437 176.300 0.069 0.000 1.066 45 M CA 1.035 56.309 55.300 -0.043 0.000 1.127 45 M CB -0.338 32.148 32.600 -0.191 0.000 1.379 45 M HN 0.420 nan 8.290 nan 0.000 0.420 46 L N 0.847 122.084 121.223 0.023 0.000 2.187 46 L HA -0.217 4.128 4.340 0.009 0.000 0.213 46 L C 2.316 179.162 176.870 -0.040 0.000 1.100 46 L CA 1.845 56.685 54.840 0.000 0.000 0.765 46 L CB -0.612 41.428 42.059 -0.032 0.000 0.904 46 L HN 0.330 nan 8.230 nan 0.000 0.437 47 Q N -1.022 118.763 119.800 -0.026 0.000 2.135 47 Q HA -0.206 4.139 4.340 0.009 0.000 0.204 47 Q C 2.226 178.256 176.000 0.051 0.000 0.981 47 Q CA 1.636 57.414 55.803 -0.041 0.000 0.856 47 Q CB -0.197 28.507 28.738 -0.056 0.000 0.902 47 Q HN 0.534 nan 8.270 nan 0.000 0.425 48 L N 0.149 121.480 121.223 0.180 0.000 2.313 48 L HA -0.088 4.257 4.340 0.009 0.000 0.214 48 L C 2.445 179.540 176.870 0.375 0.000 1.119 48 L CA 1.333 56.368 54.840 0.325 0.000 0.809 48 L CB -0.314 42.029 42.059 0.473 0.000 0.933 48 L HN 0.378 nan 8.230 nan 0.000 0.449 49 T N -4.710 109.974 114.554 0.216 0.000 3.067 49 T HA 0.005 4.360 4.350 0.009 0.000 0.257 49 T C 0.984 175.609 174.700 -0.125 0.000 1.105 49 T CA 0.368 62.504 62.100 0.060 0.000 1.104 49 T CB -0.414 68.516 68.868 0.104 0.000 0.925 49 T HN 0.293 nan 8.240 nan 0.000 0.498 50 T N -0.880 113.506 114.554 -0.280 0.000 2.927 50 T HA 0.742 5.097 4.350 0.009 0.000 0.281 50 T C 0.315 174.876 174.700 -0.232 0.000 0.998 50 T CA -0.386 61.409 62.100 -0.508 0.000 1.019 50 T CB 1.685 70.162 68.868 -0.652 0.000 1.061 50 T HN 0.449 nan 8.240 nan 0.000 0.518 51 G N -1.689 106.983 108.800 -0.214 0.000 2.921 51 G HA2 0.683 4.648 3.960 0.009 0.000 0.291 51 G HA3 0.683 4.648 3.960 0.009 0.000 0.291 51 G C 0.393 175.236 174.900 -0.094 0.000 1.370 51 G CA -0.121 44.917 45.100 -0.104 0.000 0.847 51 G HN 1.476 nan 8.290 nan 0.000 0.532 52 G N -0.214 108.554 108.800 -0.053 0.000 2.614 52 G HA2 -0.346 3.619 3.960 0.009 0.000 0.303 52 G HA3 -0.346 3.619 3.960 0.009 0.000 0.303 52 G C 1.058 175.927 174.900 -0.051 0.000 1.270 52 G CA 1.146 46.221 45.100 -0.041 0.000 0.988 52 G HN 0.980 nan 8.290 nan 0.000 0.551 53 E N -0.632 119.543 120.200 -0.042 0.000 2.347 53 E HA -0.001 4.354 4.350 0.009 0.000 0.196 53 E C 2.645 179.207 176.600 -0.064 0.000 1.008 53 E CA 1.366 57.741 56.400 -0.041 0.000 0.852 53 E CB -0.191 29.496 29.700 -0.022 0.000 0.783 53 E HN 0.495 nan 8.360 nan 0.000 0.505 54 T N 0.443 114.941 114.554 -0.093 0.000 2.777 54 T HA -0.195 4.160 4.350 0.009 0.000 0.266 54 T C 1.751 176.350 174.700 -0.168 0.000 1.040 54 T CA 1.346 63.361 62.100 -0.141 0.000 1.141 54 T CB -0.111 68.627 68.868 -0.217 0.000 0.868 54 T HN 0.264 nan 8.240 nan 0.000 0.444 55 Q N 0.620 120.319 119.800 -0.168 0.000 2.079 55 Q HA -0.146 4.200 4.340 0.009 0.000 0.200 55 Q C 2.404 178.332 176.000 -0.121 0.000 0.974 55 Q CA 1.321 57.030 55.803 -0.156 0.000 0.840 55 Q CB -0.120 28.543 28.738 -0.126 0.000 0.898 55 Q HN 0.569 nan 8.270 nan 0.000 0.430 56 Q N -0.005 119.742 119.800 -0.090 0.000 2.096 56 Q HA -0.245 4.100 4.340 0.009 0.000 0.204 56 Q C 2.033 177.990 176.000 -0.072 0.000 0.982 56 Q CA 1.860 57.621 55.803 -0.070 0.000 0.850 56 Q CB 0.062 28.773 28.738 -0.046 0.000 0.901 56 Q HN 0.514 nan 8.270 nan 0.000 0.422 57 Q N -0.104 119.656 119.800 -0.066 0.000 2.124 57 Q HA -0.147 4.199 4.340 0.009 0.000 0.202 57 Q C 2.095 178.055 176.000 -0.067 0.000 0.977 57 Q CA 1.454 57.229 55.803 -0.047 0.000 0.850 57 Q CB -0.042 28.679 28.738 -0.028 0.000 0.901 57 Q HN 0.477 nan 8.270 nan 0.000 0.429 58 I N 0.614 121.117 120.570 -0.112 0.000 2.202 58 I HA -0.297 3.878 4.170 0.009 0.000 0.242 58 I C 2.306 178.270 176.117 -0.254 0.000 1.091 58 I CA 1.259 62.459 61.300 -0.166 0.000 1.368 58 I CB -0.230 37.651 38.000 -0.198 0.000 1.058 58 I HN 0.234 nan 8.210 nan 0.000 0.410 59 Q N 0.618 120.278 119.800 -0.233 0.000 2.124 59 Q HA -0.176 4.170 4.340 0.009 0.000 0.202 59 Q C 2.452 178.332 176.000 -0.199 0.000 0.977 59 Q CA 1.652 57.291 55.803 -0.273 0.000 0.850 59 Q CB -0.294 28.332 28.738 -0.187 0.000 0.901 59 Q HN 0.585 nan 8.270 nan 0.000 0.429 60 A N 1.116 123.867 122.820 -0.115 0.000 1.898 60 A HA -0.074 4.251 4.320 0.009 0.000 0.216 60 A C 2.288 179.850 177.584 -0.036 0.000 1.181 60 A CA 1.512 53.516 52.037 -0.055 0.000 0.620 60 A CB -0.680 18.305 19.000 -0.025 0.000 0.819 60 A HN 0.384 nan 8.150 nan 0.000 0.442 61 A N -0.666 122.132 122.820 -0.037 0.000 1.929 61 A HA -0.020 4.306 4.320 0.009 0.000 0.216 61 A C 2.212 179.813 177.584 0.028 0.000 1.176 61 A CA 1.633 53.708 52.037 0.064 0.000 0.628 61 A CB -0.462 18.641 19.000 0.172 0.000 0.816 61 A HN 0.512 nan 8.150 nan 0.000 0.444 62 M N -1.835 117.580 119.600 -0.309 0.000 2.349 62 M HA 0.117 4.602 4.480 0.009 0.000 0.266 62 M C 1.529 177.739 176.300 -0.150 0.000 1.076 62 M CA 1.009 55.998 55.300 -0.517 0.000 1.126 62 M CB 0.056 32.047 32.600 -1.014 0.000 1.392 62 M HN 0.651 nan 8.290 nan 0.000 0.440 63 G N 1.665 110.401 108.800 -0.106 0.000 2.157 63 G HA2 -0.270 3.695 3.960 0.009 0.000 0.248 63 G HA3 -0.270 3.695 3.960 0.009 0.000 0.248 63 G C -0.103 174.898 174.900 0.167 0.000 0.979 63 G CA 0.286 45.420 45.100 0.058 0.000 0.650 63 G HN 0.574 nan 8.290 nan 0.000 0.529 64 F N -2.071 117.842 119.950 -0.061 0.000 2.741 64 F HA 0.782 5.314 4.527 0.008 0.000 0.311 64 F C -0.978 174.794 175.800 -0.047 0.000 1.149 64 F CA -1.889 56.090 58.000 -0.034 0.000 0.930 64 F CB 0.826 39.804 39.000 -0.035 0.000 1.312 64 F HN -0.038 nan 8.300 nan 0.000 0.450 65 K N 2.314 122.805 120.400 0.151 0.000 2.274 65 K HA 0.383 4.708 4.320 0.009 0.000 0.262 65 K C 0.252 176.985 176.600 0.222 0.000 0.961 65 K CA -0.788 55.524 56.287 0.042 0.000 0.833 65 K CB 2.763 35.289 32.500 0.043 0.000 1.102 65 K HN 0.782 nan 8.250 nan 0.000 0.436 66 I N 2.726 123.384 120.570 0.148 0.000 2.423 66 I HA -0.261 3.914 4.170 0.009 0.000 0.254 66 I C 1.271 177.427 176.117 0.065 0.000 1.151 66 I CA 1.864 63.278 61.300 0.190 0.000 1.421 66 I CB -0.077 38.008 38.000 0.143 0.000 1.079 66 I HN 0.663 nan 8.210 nan 0.000 0.431 67 D N -1.474 118.974 120.400 0.079 0.000 2.340 67 D HA 0.018 4.663 4.640 0.009 0.000 0.217 67 D C 0.230 176.572 176.300 0.069 0.000 1.081 67 D CA -0.175 53.872 54.000 0.080 0.000 0.842 67 D CB -0.668 40.248 40.800 0.193 0.000 0.934 67 D HN 0.198 nan 8.370 nan 0.000 0.511 68 D N 1.545 121.988 120.400 0.072 0.000 2.362 68 D HA 0.005 4.651 4.640 0.009 0.000 0.242 68 D C 0.470 176.788 176.300 0.031 0.000 1.132 68 D CA -0.188 53.847 54.000 0.058 0.000 0.907 68 D CB 1.112 41.961 40.800 0.082 0.000 1.195 68 D HN -0.039 nan 8.370 nan 0.000 0.429 69 K N 0.830 121.241 120.400 0.018 0.000 2.504 69 K HA -0.027 4.298 4.320 0.009 0.000 0.278 69 K C 0.961 177.553 176.600 -0.013 0.000 1.025 69 K CA 1.053 57.339 56.287 -0.002 0.000 1.093 69 K CB -0.026 32.471 32.500 -0.005 0.000 0.873 69 K HN 0.665 nan 8.250 nan 0.000 0.483 70 G N 4.217 112.997 108.800 -0.034 0.000 2.284 70 G HA2 -0.313 3.652 3.960 0.009 0.000 0.261 70 G HA3 -0.313 3.652 3.960 0.009 0.000 0.261 70 G C 0.969 175.834 174.900 -0.059 0.000 0.997 70 G CA 0.482 45.555 45.100 -0.046 0.000 0.621 70 G HN 0.570 nan 8.290 nan 0.000 0.534 71 M N 0.569 120.137 119.600 -0.052 0.000 2.059 71 M HA 0.094 4.579 4.480 0.009 0.000 0.259 71 M C 3.064 179.271 176.300 -0.154 0.000 1.072 71 M CA 2.390 57.634 55.300 -0.094 0.000 1.117 71 M CB -1.604 30.978 32.600 -0.031 0.000 1.320 71 M HN 0.644 nan 8.290 nan 0.000 0.408 72 A N 0.611 123.327 122.820 -0.174 0.000 1.883 72 A HA -0.112 4.214 4.320 0.009 0.000 0.217 72 A C -0.221 177.218 177.584 -0.242 0.000 1.186 72 A CA 1.546 53.416 52.037 -0.278 0.000 0.624 72 A CB -2.092 16.674 19.000 -0.389 0.000 0.822 72 A HN 0.318 nan 8.150 nan 0.000 0.444 73 P HA -0.120 nan 4.420 nan 0.000 0.215 73 P C 1.702 178.923 177.300 -0.131 0.000 1.153 73 P CA 1.942 64.945 63.100 -0.162 0.000 0.853 73 P CB -0.095 31.532 31.700 -0.121 0.000 0.788 74 A N -0.928 121.825 122.820 -0.111 0.000 1.969 74 A HA -0.122 4.203 4.320 0.009 0.000 0.218 74 A C 2.168 179.672 177.584 -0.133 0.000 1.169 74 A CA 1.234 53.215 52.037 -0.094 0.000 0.635 74 A CB -1.579 17.369 19.000 -0.086 0.000 0.810 74 A HN 0.118 nan 8.150 nan 0.000 0.445 75 L N -1.510 119.619 121.223 -0.157 0.000 2.156 75 L HA -0.103 4.242 4.340 0.009 0.000 0.208 75 L C 2.793 179.557 176.870 -0.178 0.000 1.095 75 L CA 1.110 55.882 54.840 -0.114 0.000 0.770 75 L CB -0.294 41.714 42.059 -0.085 0.000 0.914 75 L HN 0.320 nan 8.230 nan 0.000 0.439 76 R N -1.207 119.088 120.500 -0.342 0.000 2.075 76 R HA -0.170 4.176 4.340 0.009 0.000 0.232 76 R C 2.315 178.167 176.300 -0.746 0.000 1.126 76 R CA 1.267 56.858 56.100 -0.848 0.000 0.963 76 R CB -0.332 29.669 30.300 -0.499 0.000 0.858 76 R HN 0.410 nan 8.270 nan 0.000 0.435 77 H N -0.337 118.482 119.070 -0.418 0.000 2.387 77 H HA -0.143 4.418 4.556 0.009 0.000 0.299 77 H C 1.966 177.184 175.328 -0.184 0.000 1.090 77 H CA 1.280 57.177 56.048 -0.251 0.000 1.332 77 H CB 0.199 29.852 29.762 -0.182 0.000 1.386 77 H HN 0.112 nan 8.280 nan 0.000 0.516 78 L N 1.370 122.518 121.223 -0.125 0.000 2.017 78 L HA -0.213 4.132 4.340 0.009 0.000 0.208 78 L C 2.284 179.162 176.870 0.012 0.000 1.073 78 L CA 1.775 56.561 54.840 -0.089 0.000 0.745 78 L CB -1.123 40.907 42.059 -0.049 0.000 0.894 78 L HN 0.473 nan 8.230 nan 0.000 0.432 79 Y N -1.064 119.268 120.300 0.054 0.000 2.293 79 Y HA -0.013 4.543 4.550 0.009 0.000 0.291 79 Y C 2.154 178.071 175.900 0.028 0.000 1.137 79 Y CA 1.065 59.190 58.100 0.041 0.000 1.202 79 Y CB -1.281 37.251 38.460 0.120 0.000 0.990 79 Y HN 0.118 nan 8.280 nan 0.000 0.537 80 K N 0.620 121.110 120.400 0.150 0.000 2.097 80 K HA -0.191 4.134 4.320 0.009 0.000 0.205 80 K C 2.113 178.835 176.600 0.203 0.000 1.050 80 K CA 1.611 58.009 56.287 0.185 0.000 0.938 80 K CB -0.181 32.394 32.500 0.125 0.000 0.718 80 K HN 0.527 nan 8.250 nan 0.000 0.442 81 E N 1.186 121.535 120.200 0.249 0.000 2.106 81 E HA -0.152 4.203 4.350 0.009 0.000 0.192 81 E C 1.928 178.577 176.600 0.081 0.000 0.984 81 E CA 0.693 57.317 56.400 0.374 0.000 0.806 81 E CB 0.057 29.954 29.700 0.328 0.000 0.750 81 E HN 0.207 nan 8.360 nan 0.000 0.458 82 L N 0.083 121.236 121.223 -0.118 0.000 2.083 82 L HA -0.150 4.195 4.340 0.009 0.000 0.209 82 L C 2.503 179.240 176.870 -0.222 0.000 1.083 82 L CA 0.997 55.641 54.840 -0.325 0.000 0.752 82 L CB -0.242 41.614 42.059 -0.339 0.000 0.899 82 L HN 0.278 nan 8.230 nan 0.000 0.433 83 M N -0.401 119.111 119.600 -0.146 0.000 2.556 83 M HA 0.104 4.589 4.480 0.009 0.000 0.245 83 M C 1.102 177.192 176.300 -0.349 0.000 1.128 83 M CA -0.007 55.199 55.300 -0.158 0.000 1.069 83 M CB -0.366 32.209 32.600 -0.042 0.000 1.469 83 M HN 0.191 nan 8.290 nan 0.000 0.494 84 G N 1.628 110.014 108.800 -0.690 0.000 2.432 84 G HA2 0.118 4.084 3.960 0.009 0.000 0.239 84 G HA3 0.118 4.084 3.960 0.009 0.000 0.239 84 G C -2.077 172.130 174.900 -1.154 0.000 1.291 84 G CA -0.977 43.225 45.100 -1.498 0.000 0.863 84 G HN 0.136 nan 8.290 nan 0.000 0.560 85 P HA -0.114 nan 4.420 nan 0.000 0.221 85 P C 1.346 178.564 177.300 -0.136 0.000 1.145 85 P CA 1.248 64.184 63.100 -0.273 0.000 0.795 85 P CB 0.019 31.669 31.700 -0.084 0.000 0.775 86 W N -0.542 120.786 121.300 0.047 0.000 2.468 86 W HA -0.009 4.657 4.660 0.009 0.000 0.262 86 W C 1.336 177.886 176.519 0.051 0.000 1.241 86 W CA 0.381 57.752 57.345 0.043 0.000 1.232 86 W CB -2.191 27.299 29.460 0.051 0.000 1.124 86 W HN -0.119 nan 8.180 nan 0.000 0.597 87 N N 1.222 119.894 118.700 -0.048 0.000 2.409 87 N HA -0.129 4.616 4.740 0.009 0.000 0.179 87 N C 1.207 176.736 175.510 0.032 0.000 1.032 87 N CA 1.779 54.866 53.050 0.062 0.000 0.898 87 N CB -0.223 38.267 38.487 0.005 0.000 0.971 87 N HN 0.406 nan 8.380 nan 0.000 0.441 88 K N -0.447 119.936 120.400 -0.029 0.000 8.070 88 K HA -0.173 4.152 4.320 0.009 0.000 0.487 88 K C -0.797 175.790 176.600 -0.021 0.000 0.363 88 K CA 1.821 58.056 56.287 -0.087 0.000 1.957 88 K CB -1.198 31.145 32.500 -0.262 0.000 0.676 88 K HN 0.160 nan 8.250 nan 0.000 0.908 89 D N 1.674 122.101 120.400 0.045 0.000 2.341 89 D HA 0.041 4.687 4.640 0.009 0.000 0.245 89 D C -0.006 176.319 176.300 0.041 0.000 1.106 89 D CA 0.186 54.239 54.000 0.089 0.000 0.905 89 D CB 1.254 42.150 40.800 0.160 0.000 1.202 89 D HN 0.299 nan 8.370 nan 0.000 0.426 90 E N 1.834 122.021 120.200 -0.022 0.000 2.197 90 E HA 0.438 4.793 4.350 0.009 0.000 0.281 90 E C -1.016 175.647 176.600 0.105 0.000 0.995 90 E CA -0.511 55.897 56.400 0.013 0.000 0.808 90 E CB 0.833 30.539 29.700 0.011 0.000 1.093 90 E HN 0.352 nan 8.360 nan 0.000 0.394 91 I N 2.924 123.558 120.570 0.106 0.000 2.582 91 I HA 0.239 4.414 4.170 0.009 0.000 0.292 91 I C -0.672 175.510 176.117 0.109 0.000 1.066 91 I CA -0.700 60.685 61.300 0.142 0.000 1.053 91 I CB 2.243 40.267 38.000 0.040 0.000 1.241 91 I HN 0.385 nan 8.210 nan 0.000 0.421 92 S N 3.576 119.381 115.700 0.176 0.000 2.557 92 S HA 0.689 5.165 4.470 0.009 0.000 0.291 92 S C -0.925 173.747 174.600 0.121 0.000 1.116 92 S CA -0.334 57.941 58.200 0.125 0.000 0.992 92 S CB 1.711 64.985 63.200 0.125 0.000 1.028 92 S HN 0.675 nan 8.310 nan 0.000 0.484 93 T N 2.818 117.409 114.554 0.061 0.000 2.916 93 T HA 0.743 5.098 4.350 0.009 0.000 0.298 93 T C -1.488 173.187 174.700 -0.043 0.000 1.031 93 T CA -0.208 61.929 62.100 0.062 0.000 0.993 93 T CB 1.512 70.474 68.868 0.156 0.000 1.045 93 T HN 0.629 nan 8.240 nan 0.000 0.454 94 T N 4.048 118.584 114.554 -0.031 0.000 2.952 94 T HA 0.543 4.898 4.350 0.009 0.000 0.305 94 T C -1.611 173.157 174.700 0.113 0.000 1.064 94 T CA -0.904 61.156 62.100 -0.066 0.000 1.008 94 T CB 1.626 70.323 68.868 -0.285 0.000 1.078 94 T HN 0.556 nan 8.240 nan 0.000 0.459 95 D N 1.015 121.462 120.400 0.078 0.000 2.350 95 D HA 0.799 5.445 4.640 0.009 0.000 0.238 95 D C -0.597 175.701 176.300 -0.004 0.000 0.989 95 D CA -0.433 53.607 54.000 0.066 0.000 0.921 95 D CB 2.240 43.015 40.800 -0.042 0.000 1.297 95 D HN 0.796 nan 8.370 nan 0.000 0.490 96 A N 0.949 123.633 122.820 -0.226 0.000 2.589 96 A HA 0.628 4.954 4.320 0.009 0.000 0.296 96 A C -1.577 175.683 177.584 -0.541 0.000 1.062 96 A CA -0.686 51.021 52.037 -0.549 0.000 0.686 96 A CB 1.338 19.546 19.000 -1.319 0.000 1.282 96 A HN 0.522 nan 8.150 nan 0.000 0.404 97 I N 1.120 121.316 120.570 -0.623 0.000 2.436 97 I HA 0.724 4.899 4.170 0.009 0.000 0.289 97 I C -1.896 173.843 176.117 -0.630 0.000 1.010 97 I CA -0.922 60.081 61.300 -0.496 0.000 1.098 97 I CB 0.985 38.671 38.000 -0.523 0.000 1.266 97 I HN 0.531 nan 8.210 nan 0.000 0.434 98 F N 6.987 126.829 119.950 -0.180 0.000 2.426 98 F HA 0.587 5.120 4.527 0.010 0.000 0.348 98 F C -0.153 175.660 175.800 0.021 0.000 1.124 98 F CA -0.669 57.269 58.000 -0.103 0.000 1.008 98 F CB 1.810 40.770 39.000 -0.066 0.000 1.139 98 F HN 0.134 nan 8.300 nan 0.000 0.452 99 V N 3.540 123.545 119.914 0.151 0.000 2.823 99 V HA 0.460 4.586 4.120 0.009 0.000 0.312 99 V C -0.761 175.443 176.094 0.184 0.000 1.072 99 V CA -0.794 61.598 62.300 0.152 0.000 0.937 99 V CB 1.992 33.821 31.823 0.010 0.000 1.013 99 V HN 0.693 nan 8.190 nan 0.000 0.430 100 Q N 4.175 124.125 119.800 0.249 0.000 2.263 100 Q HA 0.056 4.401 4.340 0.009 0.000 0.289 100 Q C 1.421 177.465 176.000 0.074 0.000 1.061 100 Q CA 1.021 56.952 55.803 0.215 0.000 0.927 100 Q CB 0.744 29.587 28.738 0.175 0.000 1.154 100 Q HN 0.784 nan 8.270 nan 0.000 0.378 101 R N 2.325 122.846 120.500 0.036 0.000 2.152 101 R HA -0.128 4.217 4.340 0.009 0.000 0.232 101 R C 0.056 176.364 176.300 0.012 0.000 1.117 101 R CA 1.676 57.782 56.100 0.010 0.000 0.981 101 R CB -0.195 30.100 30.300 -0.008 0.000 0.870 101 R HN 0.655 nan 8.270 nan 0.000 0.451 102 D N 0.617 121.028 120.400 0.019 0.000 2.427 102 D HA 0.042 4.687 4.640 0.009 0.000 0.224 102 D C -0.178 176.126 176.300 0.006 0.000 1.157 102 D CA -0.482 53.525 54.000 0.011 0.000 0.828 102 D CB 0.119 40.926 40.800 0.011 0.000 0.974 102 D HN 0.177 nan 8.370 nan 0.000 0.498 103 L N 0.824 122.049 121.223 0.003 0.000 2.255 103 L HA 0.299 4.645 4.340 0.009 0.000 0.289 103 L C 0.032 176.893 176.870 -0.015 0.000 1.046 103 L CA -0.559 54.272 54.840 -0.015 0.000 0.816 103 L CB 0.872 42.912 42.059 -0.032 0.000 1.197 103 L HN -0.220 nan 8.230 nan 0.000 0.427 104 K N 5.941 126.335 120.400 -0.011 0.000 2.412 104 K HA 0.194 4.519 4.320 0.009 0.000 0.284 104 K C -0.908 175.686 176.600 -0.011 0.000 1.046 104 K CA 0.114 56.400 56.287 -0.003 0.000 0.999 104 K CB 0.076 32.578 32.500 0.002 0.000 0.941 104 K HN 0.684 nan 8.250 nan 0.000 0.474 105 L N 4.337 125.562 121.223 0.004 0.000 2.343 105 L HA 0.306 4.651 4.340 0.009 0.000 0.275 105 L C 0.628 177.523 176.870 0.042 0.000 1.056 105 L CA -1.332 53.507 54.840 -0.001 0.000 0.804 105 L CB 1.394 43.478 42.059 0.042 0.000 1.203 105 L HN 0.374 nan 8.230 nan 0.000 0.440 106 V N 0.272 120.209 119.914 0.038 0.000 2.872 106 V HA 0.044 4.169 4.120 0.009 0.000 0.307 106 V C 0.310 176.478 176.094 0.123 0.000 1.072 106 V CA -0.590 61.753 62.300 0.071 0.000 1.148 106 V CB 0.673 32.535 31.823 0.064 0.000 0.954 106 V HN 0.972 nan 8.190 nan 0.000 0.490 107 Q N 3.010 122.864 119.800 0.090 0.000 2.269 107 Q HA 0.318 4.663 4.340 0.009 0.000 0.300 107 Q C 1.293 177.361 176.000 0.112 0.000 1.070 107 Q CA 1.133 56.988 55.803 0.088 0.000 0.957 107 Q CB -0.033 28.739 28.738 0.056 0.000 1.131 107 Q HN 1.857 nan 8.270 nan 0.000 0.377 108 G N 3.738 112.609 108.800 0.118 0.000 2.253 108 G HA2 -0.381 3.584 3.960 0.009 0.000 0.251 108 G HA3 -0.381 3.584 3.960 0.009 0.000 0.251 108 G C 0.244 175.255 174.900 0.184 0.000 0.998 108 G CA 0.335 45.506 45.100 0.118 0.000 0.621 108 G HN 0.749 nan 8.290 nan 0.000 0.524 109 F N 1.372 121.395 119.950 0.122 0.000 2.046 109 F HA 0.092 4.625 4.527 0.009 0.000 0.297 109 F C 2.850 178.784 175.800 0.224 0.000 1.123 109 F CA 2.804 60.910 58.000 0.176 0.000 1.199 109 F CB -0.357 38.713 39.000 0.116 0.000 0.972 109 F HN 0.224 nan 8.300 nan 0.000 0.474 110 M N 0.501 120.125 119.600 0.040 0.000 2.108 110 M HA -0.143 4.342 4.480 0.009 0.000 0.261 110 M C -0.522 175.801 176.300 0.039 0.000 1.066 110 M CA 2.163 57.438 55.300 -0.041 0.000 1.107 110 M CB -1.789 30.876 32.600 0.107 0.000 1.356 110 M HN 0.135 nan 8.290 nan 0.000 0.406 111 P HA -0.171 nan 4.420 nan 0.000 0.219 111 P C 1.026 178.449 177.300 0.204 0.000 1.150 111 P CA 1.740 64.929 63.100 0.150 0.000 0.814 111 P CB -0.301 31.467 31.700 0.112 0.000 0.787 112 H N -0.481 118.603 119.070 0.023 0.000 2.357 112 H HA -0.089 4.473 4.556 0.009 0.000 0.301 112 H C 1.825 177.148 175.328 -0.008 0.000 1.082 112 H CA 1.212 57.260 56.048 0.001 0.000 1.342 112 H CB -1.116 28.643 29.762 -0.006 0.000 1.389 112 H HN -0.037 nan 8.280 nan 0.000 0.511 113 F N -0.358 119.424 119.950 -0.281 0.000 2.134 113 F HA -0.167 4.365 4.527 0.008 0.000 0.299 113 F C 2.100 177.901 175.800 0.001 0.000 1.097 113 F CA 1.371 59.234 58.000 -0.229 0.000 1.264 113 F CB -0.599 38.107 39.000 -0.489 0.000 1.001 113 F HN 0.234 nan 8.300 nan 0.000 0.479 114 F N 1.192 121.178 119.950 0.060 0.000 2.134 114 F HA -0.134 4.398 4.527 0.008 0.000 0.299 114 F C 2.659 178.419 175.800 -0.066 0.000 1.097 114 F CA 1.693 59.713 58.000 0.032 0.000 1.264 114 F CB -0.625 38.411 39.000 0.060 0.000 1.001 114 F HN -0.166 nan 8.300 nan 0.000 0.479 115 R N 1.133 121.554 120.500 -0.131 0.000 2.091 115 R HA -0.153 4.192 4.340 0.009 0.000 0.238 115 R C 2.166 178.236 176.300 -0.382 0.000 1.136 115 R CA 2.077 58.035 56.100 -0.235 0.000 0.959 115 R CB -1.032 29.249 30.300 -0.032 0.000 0.856 115 R HN 0.458 nan 8.270 nan 0.000 0.437 116 L N -1.057 119.884 121.223 -0.469 0.000 2.131 116 L HA -0.022 4.323 4.340 0.009 0.000 0.206 116 L C 1.645 178.001 176.870 -0.857 0.000 1.087 116 L CA 0.938 55.375 54.840 -0.672 0.000 0.767 116 L CB -0.236 41.312 42.059 -0.853 0.000 0.917 116 L HN 0.051 nan 8.230 nan 0.000 0.441 117 F N -1.172 118.435 119.950 -0.572 0.000 2.704 117 F HA 0.236 4.768 4.527 0.010 0.000 0.304 117 F C 0.634 176.202 175.800 -0.387 0.000 1.094 117 F CA -0.491 57.206 58.000 -0.505 0.000 1.275 117 F CB 0.345 38.827 39.000 -0.864 0.000 1.073 117 F HN -0.130 nan 8.300 nan 0.000 0.586 118 R N 0.416 120.650 120.500 -0.443 0.000 3.641 118 R HA -0.195 4.150 4.340 0.009 0.000 0.286 118 R C -0.262 175.942 176.300 -0.161 0.000 1.153 118 R CA 0.685 56.410 56.100 -0.625 0.000 0.775 118 R CB -2.606 27.511 30.300 -0.306 0.000 1.215 118 R HN 0.284 nan 8.270 nan 0.000 0.474 119 S N -0.917 114.846 115.700 0.105 0.000 2.564 119 S HA 0.610 5.085 4.470 0.009 0.000 0.274 119 S C -0.260 174.670 174.600 0.550 0.000 1.124 119 S CA 0.084 58.493 58.200 0.349 0.000 0.869 119 S CB 1.867 65.208 63.200 0.235 0.000 1.105 119 S HN 0.291 nan 8.310 nan 0.000 0.472 120 T N 0.137 114.903 114.554 0.355 0.000 2.943 120 T HA 0.663 5.019 4.350 0.009 0.000 0.284 120 T C -0.164 174.560 174.700 0.039 0.000 1.015 120 T CA -0.720 61.509 62.100 0.215 0.000 1.042 120 T CB 0.976 69.883 68.868 0.064 0.000 1.055 120 T HN 0.387 nan 8.240 nan 0.000 0.500 121 V N 2.774 122.647 119.914 -0.068 0.000 2.529 121 V HA 0.146 4.271 4.120 0.009 0.000 0.292 121 V C 0.688 176.684 176.094 -0.164 0.000 1.028 121 V CA -0.208 61.967 62.300 -0.209 0.000 1.074 121 V CB -0.101 31.634 31.823 -0.147 0.000 0.958 121 V HN 0.794 nan 8.190 nan 0.000 0.481 122 K N 5.221 125.460 120.400 -0.268 0.000 2.276 122 K HA 0.339 4.664 4.320 0.009 0.000 0.285 122 K C -0.233 176.309 176.600 -0.097 0.000 1.062 122 K CA -0.193 55.966 56.287 -0.213 0.000 0.918 122 K CB 0.817 33.064 32.500 -0.421 0.000 1.055 122 K HN 0.644 nan 8.250 nan 0.000 0.477 123 Q N 2.236 122.007 119.800 -0.047 0.000 2.256 123 Q HA 0.364 4.710 4.340 0.009 0.000 0.254 123 Q C -0.301 175.673 176.000 -0.044 0.000 0.916 123 Q CA -0.716 55.070 55.803 -0.028 0.000 0.932 123 Q CB 1.672 30.397 28.738 -0.021 0.000 1.207 123 Q HN 0.501 nan 8.270 nan 0.000 0.426 124 V N -1.415 118.436 119.914 -0.104 0.000 3.160 124 V HA 0.546 4.671 4.120 0.009 0.000 0.310 124 V C -1.227 174.709 176.094 -0.263 0.000 1.181 124 V CA -1.086 61.081 62.300 -0.222 0.000 1.047 124 V CB 2.404 33.980 31.823 -0.411 0.000 1.068 124 V HN 0.625 nan 8.190 nan 0.000 0.441 125 D N 0.549 120.798 120.400 -0.253 0.000 2.460 125 D HA 0.439 5.084 4.640 0.009 0.000 0.232 125 D C 0.226 176.424 176.300 -0.170 0.000 1.079 125 D CA -0.494 53.421 54.000 -0.142 0.000 0.864 125 D CB 0.871 41.631 40.800 -0.066 0.000 1.048 125 D HN 0.471 nan 8.370 nan 0.000 0.523 126 F N 1.315 121.250 119.950 -0.025 0.000 2.641 126 F HA -0.104 4.428 4.527 0.008 0.000 0.298 126 F C 2.612 178.395 175.800 -0.029 0.000 1.146 126 F CA 0.569 58.548 58.000 -0.035 0.000 1.464 126 F CB -0.120 38.850 39.000 -0.050 0.000 1.101 126 F HN 0.353 nan 8.300 nan 0.000 0.585 127 S N -1.093 114.676 115.700 0.114 0.000 2.453 127 S HA -0.073 4.402 4.470 0.009 0.000 0.231 127 S C 0.850 175.471 174.600 0.036 0.000 1.005 127 S CA 0.576 58.814 58.200 0.064 0.000 0.949 127 S CB -0.257 62.967 63.200 0.040 0.000 0.774 127 S HN 0.167 nan 8.310 nan 0.000 0.510 128 E N 2.326 122.537 120.200 0.017 0.000 2.069 128 E HA 0.286 4.641 4.350 0.009 0.000 0.254 128 E C 1.179 177.786 176.600 0.012 0.000 1.088 128 E CA -0.208 56.193 56.400 0.001 0.000 1.017 128 E CB 0.898 30.586 29.700 -0.021 0.000 1.226 128 E HN 0.251 nan 8.360 nan 0.000 0.458 129 V N 1.734 121.668 119.914 0.035 0.000 2.220 129 V HA -0.316 3.809 4.120 0.009 0.000 0.250 129 V C 2.095 178.216 176.094 0.045 0.000 1.056 129 V CA 1.728 64.061 62.300 0.054 0.000 1.016 129 V CB -0.227 31.624 31.823 0.046 0.000 0.639 129 V HN 0.447 nan 8.190 nan 0.000 0.446 130 E N -0.183 120.036 120.200 0.031 0.000 2.153 130 E HA -0.213 4.142 4.350 0.009 0.000 0.194 130 E C 2.313 178.945 176.600 0.054 0.000 0.988 130 E CA 1.145 57.569 56.400 0.040 0.000 0.811 130 E CB -0.359 29.354 29.700 0.021 0.000 0.746 130 E HN 0.466 nan 8.360 nan 0.000 0.466 131 R N 1.155 121.669 120.500 0.022 0.000 2.092 131 R HA 0.006 4.351 4.340 0.009 0.000 0.231 131 R C 1.989 178.316 176.300 0.043 0.000 1.119 131 R CA 1.540 57.658 56.100 0.029 0.000 0.970 131 R CB -0.610 29.681 30.300 -0.016 0.000 0.864 131 R HN 0.100 nan 8.270 nan 0.000 0.440 132 A N 0.275 123.077 122.820 -0.030 0.000 1.929 132 A HA -0.072 4.253 4.320 0.009 0.000 0.216 132 A C 2.241 179.775 177.584 -0.083 0.000 1.176 132 A CA 1.337 53.287 52.037 -0.144 0.000 0.628 132 A CB -0.516 18.326 19.000 -0.264 0.000 0.816 132 A HN 0.378 nan 8.150 nan 0.000 0.444 133 R N -1.538 118.971 120.500 0.015 0.000 2.081 133 R HA -0.143 4.202 4.340 0.009 0.000 0.235 133 R C 1.942 178.253 176.300 0.018 0.000 1.131 133 R CA 1.842 57.954 56.100 0.021 0.000 0.960 133 R CB -0.446 29.888 30.300 0.055 0.000 0.856 133 R HN 0.522 nan 8.270 nan 0.000 0.436 134 F N 0.954 120.875 119.950 -0.048 0.000 2.134 134 F HA -0.123 4.409 4.527 0.007 0.000 0.299 134 F C 1.790 177.571 175.800 -0.032 0.000 1.097 134 F CA 1.390 59.372 58.000 -0.030 0.000 1.264 134 F CB -0.139 38.849 39.000 -0.020 0.000 1.001 134 F HN -0.022 nan 8.300 nan 0.000 0.479 135 I N 0.338 120.910 120.570 0.003 0.000 2.163 135 I HA -0.348 3.827 4.170 0.009 0.000 0.243 135 I C 2.361 178.355 176.117 -0.205 0.000 1.085 135 I CA 1.736 62.990 61.300 -0.076 0.000 1.347 135 I CB -0.488 37.498 38.000 -0.025 0.000 1.044 135 I HN 0.178 nan 8.210 nan 0.000 0.408 136 I N 0.470 120.826 120.570 -0.357 0.000 2.252 136 I HA -0.254 3.921 4.170 0.009 0.000 0.245 136 I C 2.134 178.171 176.117 -0.134 0.000 1.102 136 I CA 1.112 62.129 61.300 -0.471 0.000 1.385 136 I CB -0.527 37.096 38.000 -0.628 0.000 1.064 136 I HN 0.279 nan 8.210 nan 0.000 0.414 137 N N 0.765 119.369 118.700 -0.162 0.000 2.188 137 N HA -0.212 4.533 4.740 0.009 0.000 0.184 137 N C 1.515 176.934 175.510 -0.152 0.000 1.018 137 N CA 1.492 54.474 53.050 -0.113 0.000 0.858 137 N CB -0.407 38.008 38.487 -0.121 0.000 0.989 137 N HN 0.361 nan 8.380 nan 0.000 0.426 138 D N -0.590 119.603 120.400 -0.344 0.000 2.144 138 D HA -0.140 4.505 4.640 0.009 0.000 0.200 138 D C 1.866 178.125 176.300 -0.068 0.000 0.978 138 D CA 0.725 54.515 54.000 -0.349 0.000 0.833 138 D CB -0.100 40.287 40.800 -0.688 0.000 0.961 138 D HN 0.313 nan 8.370 nan 0.000 0.470 139 W N 0.282 121.525 121.300 -0.095 0.000 2.358 139 W HA -0.171 4.493 4.660 0.006 0.000 0.303 139 W C 2.018 178.634 176.519 0.162 0.000 1.208 139 W CA 1.373 58.788 57.345 0.115 0.000 1.274 139 W CB -0.359 29.259 29.460 0.262 0.000 1.138 139 W HN -0.150 nan 8.180 nan 0.000 0.515 140 V N 1.249 121.373 119.914 0.350 0.000 2.358 140 V HA -0.317 3.808 4.120 0.009 0.000 0.246 140 V C 2.442 178.520 176.094 -0.026 0.000 1.047 140 V CA 2.332 64.743 62.300 0.185 0.000 1.035 140 V CB -1.015 30.949 31.823 0.235 0.000 0.658 140 V HN 0.215 nan 8.190 nan 0.000 0.452 141 K N -0.203 120.164 120.400 -0.054 0.000 2.026 141 K HA -0.197 4.128 4.320 0.009 0.000 0.208 141 K C 2.215 178.702 176.600 -0.188 0.000 1.048 141 K CA 2.030 58.258 56.287 -0.099 0.000 0.929 141 K CB -0.311 32.130 32.500 -0.098 0.000 0.713 141 K HN 0.465 nan 8.250 nan 0.000 0.439 142 T N 0.486 114.874 114.554 -0.276 0.000 2.708 142 T HA -0.120 4.235 4.350 0.009 0.000 0.266 142 T C 1.370 175.714 174.700 -0.594 0.000 1.037 142 T CA 1.177 63.012 62.100 -0.442 0.000 1.146 142 T CB -0.304 68.231 68.868 -0.556 0.000 0.865 142 T HN 0.359 nan 8.240 nan 0.000 0.435 143 H N 0.935 119.722 119.070 -0.472 0.000 2.556 143 H HA 0.116 4.677 4.556 0.008 0.000 0.268 143 H C 1.736 176.892 175.328 -0.288 0.000 0.996 143 H CA 1.176 56.937 56.048 -0.478 0.000 1.157 143 H CB -0.095 29.159 29.762 -0.848 0.000 1.355 143 H HN 0.471 nan 8.280 nan 0.000 0.597 144 T N -2.049 112.405 114.554 -0.166 0.000 3.200 144 T HA 0.098 4.453 4.350 0.009 0.000 0.284 144 T C 0.517 175.096 174.700 -0.202 0.000 1.009 144 T CA -0.654 61.412 62.100 -0.056 0.000 0.907 144 T CB 0.324 69.223 68.868 0.051 0.000 1.120 144 T HN -0.057 nan 8.240 nan 0.000 0.534 145 K N 1.160 121.340 120.400 -0.367 0.000 3.035 145 K HA -0.227 4.098 4.320 0.009 0.000 0.262 145 K C 1.270 177.733 176.600 -0.229 0.000 1.024 145 K CA 0.853 56.892 56.287 -0.414 0.000 0.748 145 K CB -2.375 29.657 32.500 -0.781 0.000 1.247 145 K HN 1.234 nan 8.250 nan 0.000 0.482 146 G N -0.402 108.303 108.800 -0.159 0.000 2.176 146 G HA2 -0.398 3.567 3.960 0.009 0.000 0.253 146 G HA3 -0.398 3.567 3.960 0.009 0.000 0.253 146 G C 0.924 175.800 174.900 -0.039 0.000 0.979 146 G CA 0.575 45.620 45.100 -0.092 0.000 0.641 146 G HN 0.368 nan 8.290 nan 0.000 0.530 147 M N -0.351 119.245 119.600 -0.007 0.000 2.254 147 M HA 0.268 4.753 4.480 0.009 0.000 0.265 147 M C 0.906 177.228 176.300 0.038 0.000 1.066 147 M CA 1.370 56.693 55.300 0.037 0.000 1.123 147 M CB 0.168 32.830 32.600 0.103 0.000 1.388 147 M HN 0.268 nan 8.290 nan 0.000 0.425 148 I N 0.221 120.813 120.570 0.036 0.000 2.437 148 I HA 0.087 4.262 4.170 0.009 0.000 0.279 148 I C 0.828 176.957 176.117 0.021 0.000 1.028 148 I CA -0.327 60.999 61.300 0.044 0.000 1.142 148 I CB 1.352 39.395 38.000 0.073 0.000 1.266 148 I HN 0.075 nan 8.210 nan 0.000 0.461 149 S N 2.930 118.637 115.700 0.013 0.000 2.502 149 S HA 0.095 4.571 4.470 0.009 0.000 0.215 149 S C 0.815 175.415 174.600 0.000 0.000 1.009 149 S CA 0.033 58.231 58.200 -0.004 0.000 0.908 149 S CB -0.055 63.141 63.200 -0.006 0.000 0.801 149 S HN 0.633 nan 8.310 nan 0.000 0.505 150 N N 0.555 119.265 118.700 0.017 0.000 2.679 150 N HA 0.352 5.097 4.740 0.009 0.000 0.302 150 N C 0.398 175.925 175.510 0.028 0.000 1.941 150 N CA -0.243 52.819 53.050 0.019 0.000 0.875 150 N CB 0.522 39.024 38.487 0.025 0.000 1.278 150 N HN 0.168 nan 8.380 nan 0.000 0.490 151 L N 0.476 121.719 121.223 0.032 0.000 2.013 151 L HA 0.105 4.450 4.340 0.009 0.000 0.212 151 L C -0.331 176.559 176.870 0.033 0.000 1.073 151 L CA 1.850 56.716 54.840 0.044 0.000 0.753 151 L CB -0.104 41.992 42.059 0.062 0.000 0.890 151 L HN 0.310 nan 8.230 nan 0.000 0.432 152 L N 0.584 121.818 121.223 0.020 0.000 2.255 152 L HA 0.474 4.819 4.340 0.009 0.000 0.289 152 L C 0.761 177.643 176.870 0.019 0.000 1.046 152 L CA 0.168 55.017 54.840 0.014 0.000 0.816 152 L CB 0.186 42.246 42.059 0.001 0.000 1.197 152 L HN 0.101 nan 8.230 nan 0.000 0.427 153 G N 1.660 110.472 108.800 0.020 0.000 2.599 153 G HA2 0.172 4.138 3.960 0.009 0.000 0.264 153 G HA3 0.172 4.138 3.960 0.009 0.000 0.264 153 G C -0.158 174.754 174.900 0.020 0.000 1.200 153 G CA -0.647 44.467 45.100 0.022 0.000 0.896 153 G HN 0.419 nan 8.290 nan 0.000 0.536 154 K N 0.128 120.542 120.400 0.022 0.000 2.472 154 K HA 0.224 4.550 4.320 0.009 0.000 0.280 154 K C 1.246 177.854 176.600 0.014 0.000 1.028 154 K CA 1.252 57.551 56.287 0.021 0.000 1.045 154 K CB 0.280 32.792 32.500 0.020 0.000 0.902 154 K HN 1.272 nan 8.250 nan 0.000 0.478 155 G N 2.828 111.635 108.800 0.012 0.000 2.213 155 G HA2 -0.320 3.645 3.960 0.009 0.000 0.226 155 G HA3 -0.320 3.645 3.960 0.009 0.000 0.226 155 G C 0.945 175.841 174.900 -0.007 0.000 0.992 155 G CA 0.672 45.774 45.100 0.003 0.000 0.632 155 G HN 0.738 nan 8.290 nan 0.000 0.511 156 A N -0.509 122.309 122.820 -0.003 0.000 1.969 156 A HA 0.494 4.820 4.320 0.009 0.000 0.218 156 A C 1.449 179.010 177.584 -0.038 0.000 1.169 156 A CA 2.503 54.531 52.037 -0.015 0.000 0.635 156 A CB -0.370 18.627 19.000 -0.004 0.000 0.810 156 A HN 1.926 nan 8.150 nan 0.000 0.445 157 V N -2.066 117.834 119.914 -0.022 0.000 2.962 157 V HA 0.765 4.890 4.120 0.009 0.000 0.313 157 V C -1.208 174.883 176.094 -0.005 0.000 1.099 157 V CA -0.501 61.772 62.300 -0.044 0.000 0.971 157 V CB 2.006 33.847 31.823 0.031 0.000 1.028 157 V HN 0.517 nan 8.190 nan 0.000 0.430 158 D N 0.739 121.118 120.400 -0.034 0.000 2.946 158 D HA 0.221 4.866 4.640 0.009 0.000 0.337 158 D C 0.799 177.108 176.300 0.016 0.000 1.332 158 D CA -0.069 53.935 54.000 0.006 0.000 0.935 158 D CB 0.484 41.272 40.800 -0.020 0.000 1.440 158 D HN 0.491 nan 8.370 nan 0.000 0.540 159 Q N -0.051 119.762 119.800 0.022 0.000 2.439 159 Q HA -0.059 4.286 4.340 0.009 0.000 0.211 159 Q C 1.251 177.241 176.000 -0.017 0.000 0.978 159 Q CA 1.269 57.091 55.803 0.032 0.000 0.897 159 Q CB -0.330 28.422 28.738 0.022 0.000 0.956 159 Q HN 0.654 nan 8.270 nan 0.000 0.483 160 L N 1.151 122.331 121.223 -0.071 0.000 2.567 160 L HA 0.146 4.492 4.340 0.009 0.000 0.225 160 L C 0.625 177.364 176.870 -0.218 0.000 1.119 160 L CA -0.018 54.753 54.840 -0.115 0.000 0.871 160 L CB 0.022 42.019 42.059 -0.102 0.000 1.036 160 L HN -0.021 nan 8.230 nan 0.000 0.459 161 T N 0.446 114.807 114.554 -0.321 0.000 2.919 161 T HA 0.166 4.521 4.350 0.009 0.000 0.302 161 T C 1.100 175.383 174.700 -0.695 0.000 1.031 161 T CA -0.080 61.646 62.100 -0.622 0.000 1.127 161 T CB 1.362 69.641 68.868 -0.982 0.000 0.952 161 T HN 0.173 nan 8.240 nan 0.000 0.540 162 R N 0.638 120.768 120.500 -0.617 0.000 2.568 162 R HA 0.334 4.680 4.340 0.009 0.000 0.254 162 R C -0.612 175.540 176.300 -0.248 0.000 0.925 162 R CA -0.151 55.739 56.100 -0.350 0.000 1.025 162 R CB 0.271 30.416 30.300 -0.258 0.000 1.428 162 R HN 0.466 nan 8.270 nan 0.000 0.573 163 L N 0.268 121.281 121.223 -0.350 0.000 2.513 163 L HA 0.502 4.848 4.340 0.009 0.000 0.261 163 L C -1.823 174.962 176.870 -0.142 0.000 0.945 163 L CA -0.720 54.022 54.840 -0.163 0.000 0.848 163 L CB 2.583 44.521 42.059 -0.202 0.000 1.334 163 L HN -0.244 nan 8.230 nan 0.000 0.407 164 V N 5.627 125.564 119.914 0.038 0.000 2.524 164 V HA 0.486 4.612 4.120 0.009 0.000 0.297 164 V C -0.582 175.577 176.094 0.109 0.000 1.035 164 V CA -0.452 61.887 62.300 0.064 0.000 0.867 164 V CB 1.713 33.612 31.823 0.127 0.000 1.004 164 V HN 0.615 nan 8.190 nan 0.000 0.426 165 L N 5.434 126.682 121.223 0.041 0.000 2.307 165 L HA 0.820 5.165 4.340 0.009 0.000 0.284 165 L C -0.741 176.148 176.870 0.030 0.000 1.023 165 L CA -0.696 54.150 54.840 0.010 0.000 0.810 165 L CB 1.925 43.983 42.059 -0.002 0.000 1.231 165 L HN 0.392 nan 8.230 nan 0.000 0.423 166 V N 2.468 122.386 119.914 0.006 0.000 2.925 166 V HA 0.469 4.594 4.120 0.009 0.000 0.311 166 V C -0.705 175.447 176.094 0.097 0.000 1.104 166 V CA -0.810 61.530 62.300 0.067 0.000 0.954 166 V CB 2.370 34.270 31.823 0.128 0.000 1.022 166 V HN 0.818 nan 8.190 nan 0.000 0.427 167 N N 1.776 120.569 118.700 0.155 0.000 2.258 167 N HA 0.745 5.491 4.740 0.009 0.000 0.299 167 N C -1.149 174.493 175.510 0.220 0.000 1.047 167 N CA -0.259 52.888 53.050 0.161 0.000 0.814 167 N CB 2.538 41.044 38.487 0.031 0.000 1.413 167 N HN 0.938 nan 8.380 nan 0.000 0.478 168 A N 4.384 127.337 122.820 0.223 0.000 2.319 168 A HA 0.550 4.876 4.320 0.009 0.000 0.310 168 A C -1.196 176.466 177.584 0.130 0.000 1.152 168 A CA -0.691 51.440 52.037 0.156 0.000 0.783 168 A CB 0.902 19.921 19.000 0.032 0.000 1.184 168 A HN 0.644 nan 8.150 nan 0.000 0.474 169 L N 2.961 124.287 121.223 0.171 0.000 2.362 169 L HA 0.638 4.984 4.340 0.009 0.000 0.275 169 L C -1.748 175.331 176.870 0.348 0.000 0.998 169 L CA -0.691 54.278 54.840 0.215 0.000 0.820 169 L CB 1.912 44.054 42.059 0.138 0.000 1.270 169 L HN 0.858 nan 8.230 nan 0.000 0.415 170 Y N 5.138 125.556 120.300 0.196 0.000 2.442 170 Y HA 0.561 5.116 4.550 0.008 0.000 0.344 170 Y C -1.730 174.329 175.900 0.265 0.000 0.976 170 Y CA -0.947 57.268 58.100 0.192 0.000 1.040 170 Y CB 1.920 40.419 38.460 0.065 0.000 1.228 170 Y HN 0.441 nan 8.280 nan 0.000 0.451 171 F N 7.106 126.703 119.950 -0.588 0.000 2.573 171 F HA 0.515 5.046 4.527 0.007 0.000 0.316 171 F C -1.996 173.333 175.800 -0.784 0.000 1.148 171 F CA -0.772 56.935 58.000 -0.488 0.000 0.940 171 F CB 1.459 40.372 39.000 -0.145 0.000 1.214 171 F HN 0.577 nan 8.300 nan 0.000 0.448 172 N N 3.788 121.740 118.700 -1.247 0.000 2.519 172 N HA 0.581 5.326 4.740 0.009 0.000 0.286 172 N C -1.252 173.599 175.510 -1.098 0.000 1.079 172 N CA -0.140 52.253 53.050 -1.094 0.000 0.878 172 N CB 1.956 40.129 38.487 -0.524 0.000 1.375 172 N HN 0.984 nan 8.380 nan 0.000 0.514 173 G N 1.553 109.578 108.800 -1.291 0.000 2.612 173 G HA2 0.492 4.457 3.960 0.009 0.000 0.298 173 G HA3 0.492 4.457 3.960 0.009 0.000 0.298 173 G C -1.225 173.390 174.900 -0.474 0.000 1.336 173 G CA -0.376 44.236 45.100 -0.814 0.000 0.953 173 G HN 0.481 nan 8.290 nan 0.000 0.482 174 Q N 0.027 119.658 119.800 -0.282 0.000 2.274 174 Q HA 0.303 4.648 4.340 0.009 0.000 0.260 174 Q C -0.822 175.101 176.000 -0.129 0.000 0.974 174 Q CA -0.582 54.980 55.803 -0.400 0.000 0.876 174 Q CB 2.317 30.626 28.738 -0.715 0.000 1.297 174 Q HN 0.641 nan 8.270 nan 0.000 0.446 175 W N 2.105 123.423 121.300 0.031 0.000 2.170 175 W HA 0.033 4.697 4.660 0.007 0.000 0.342 175 W C 1.491 178.008 176.519 -0.004 0.000 1.294 175 W CA -0.123 57.211 57.345 -0.018 0.000 1.246 175 W CB 0.543 29.980 29.460 -0.038 0.000 1.156 175 W HN 0.692 nan 8.180 nan 0.000 0.572 176 K N 0.403 120.980 120.400 0.295 0.000 2.097 176 K HA -0.100 4.226 4.320 0.009 0.000 0.206 176 K C 0.147 176.811 176.600 0.108 0.000 1.049 176 K CA 1.145 57.552 56.287 0.201 0.000 0.933 176 K CB -0.003 32.582 32.500 0.143 0.000 0.717 176 K HN 0.371 nan 8.250 nan 0.000 0.442 177 T N 3.340 117.931 114.554 0.062 0.000 3.064 177 T HA 0.317 4.673 4.350 0.009 0.000 0.367 177 T C -2.671 171.978 174.700 -0.085 0.000 1.202 177 T CA -1.488 60.582 62.100 -0.049 0.000 1.133 177 T CB 1.767 70.536 68.868 -0.164 0.000 1.074 177 T HN 0.035 nan 8.240 nan 0.000 0.519 178 P HA 0.227 nan 4.420 nan 0.000 0.269 178 P C -0.452 176.832 177.300 -0.027 0.000 1.217 178 P CA -0.364 62.809 63.100 0.122 0.000 0.783 178 P CB 0.392 32.184 31.700 0.154 0.000 0.898 179 F N 1.873 121.845 119.950 0.037 0.000 2.371 179 F HA 0.335 4.868 4.527 0.010 0.000 0.329 179 F C -1.271 174.528 175.800 -0.001 0.000 1.107 179 F CA -1.676 56.312 58.000 -0.020 0.000 1.137 179 F CB -0.340 38.629 39.000 -0.052 0.000 1.214 179 F HN 0.234 nan 8.300 nan 0.000 0.536 180 P HA 0.021 nan 4.420 nan 0.000 0.274 180 P C -0.939 176.417 177.300 0.092 0.000 1.237 180 P CA -0.412 62.743 63.100 0.092 0.000 0.793 180 P CB 0.627 32.352 31.700 0.042 0.000 0.977 181 D N 0.705 121.147 120.400 0.070 0.000 2.662 181 D HA -0.067 4.578 4.640 0.009 0.000 0.233 181 D C 0.865 177.205 176.300 0.067 0.000 1.129 181 D CA 0.577 54.615 54.000 0.065 0.000 0.851 181 D CB 0.267 41.101 40.800 0.057 0.000 1.152 181 D HN 0.247 nan 8.370 nan 0.000 0.507 182 S N 1.070 116.805 115.700 0.058 0.000 2.554 182 S HA -0.006 4.469 4.470 0.009 0.000 0.226 182 S C 1.577 176.240 174.600 0.105 0.000 0.980 182 S CA 0.211 58.453 58.200 0.071 0.000 0.939 182 S CB -0.230 62.975 63.200 0.009 0.000 0.832 182 S HN 0.387 nan 8.310 nan 0.000 0.486 183 S N 1.688 117.436 115.700 0.081 0.000 2.537 183 S HA -0.091 4.384 4.470 0.009 0.000 0.240 183 S C 1.522 176.156 174.600 0.057 0.000 0.981 183 S CA 1.101 59.335 58.200 0.058 0.000 0.948 183 S CB -1.071 62.152 63.200 0.038 0.000 0.759 183 S HN 0.754 nan 8.310 nan 0.000 0.531 184 T N -2.806 111.804 114.554 0.092 0.000 3.085 184 T HA 0.320 4.676 4.350 0.009 0.000 0.264 184 T C 0.035 174.647 174.700 -0.147 0.000 1.019 184 T CA -0.395 61.702 62.100 -0.006 0.000 0.910 184 T CB -0.357 68.497 68.868 -0.023 0.000 1.059 184 T HN 0.480 nan 8.240 nan 0.000 0.542 185 H N 1.231 120.310 119.070 0.015 0.000 2.505 185 H HA 0.462 5.023 4.556 0.008 0.000 0.260 185 H C 0.252 175.596 175.328 0.028 0.000 1.232 185 H CA -0.672 55.388 56.048 0.019 0.000 0.991 185 H CB 0.214 29.985 29.762 0.016 0.000 1.729 185 H HN 0.214 nan 8.280 nan 0.000 0.561 186 R N 0.844 121.382 120.500 0.063 0.000 2.641 186 R HA 0.452 4.798 4.340 0.009 0.000 0.269 186 R C 0.085 176.435 176.300 0.084 0.000 1.074 186 R CA -0.241 55.901 56.100 0.071 0.000 1.133 186 R CB 1.178 31.501 30.300 0.039 0.000 1.029 186 R HN 0.252 nan 8.270 nan 0.000 0.488 187 R N 1.774 122.357 120.500 0.138 0.000 2.725 187 R HA 0.327 4.672 4.340 0.009 0.000 0.277 187 R C -1.201 175.223 176.300 0.208 0.000 0.987 187 R CA -0.688 55.502 56.100 0.149 0.000 0.901 187 R CB 1.296 31.695 30.300 0.165 0.000 1.207 187 R HN 0.457 nan 8.270 nan 0.000 0.463 188 L N 3.893 125.163 121.223 0.077 0.000 2.319 188 L HA 0.357 4.703 4.340 0.009 0.000 0.280 188 L C -0.822 175.962 176.870 -0.144 0.000 1.099 188 L CA -0.107 54.721 54.840 -0.020 0.000 0.828 188 L CB 0.430 42.425 42.059 -0.107 0.000 1.150 188 L HN 0.468 nan 8.230 nan 0.000 0.442 189 F N 2.080 121.815 119.950 -0.358 0.000 2.427 189 F HA 0.333 4.865 4.527 0.008 0.000 0.348 189 F C 0.389 175.963 175.800 -0.376 0.000 1.125 189 F CA -0.674 57.149 58.000 -0.295 0.000 0.989 189 F CB 0.868 39.791 39.000 -0.129 0.000 1.165 189 F HN 0.347 nan 8.300 nan 0.000 0.442 190 H N 3.905 123.042 119.070 0.111 0.000 2.690 190 H HA 0.266 4.827 4.556 0.007 0.000 0.289 190 H C -0.069 175.303 175.328 0.073 0.000 1.089 190 H CA -0.508 55.584 56.048 0.074 0.000 1.299 190 H CB 0.792 30.572 29.762 0.029 0.000 1.405 190 H HN 0.493 nan 8.280 nan 0.000 0.463 191 K N 1.008 121.501 120.400 0.156 0.000 2.202 191 K HA 0.043 4.368 4.320 0.009 0.000 0.264 191 K C 1.265 177.919 176.600 0.089 0.000 1.010 191 K CA -0.117 56.236 56.287 0.111 0.000 0.940 191 K CB 0.952 33.502 32.500 0.084 0.000 0.983 191 K HN 0.540 nan 8.250 nan 0.000 0.475 192 S N 0.569 116.308 115.700 0.066 0.000 2.469 192 S HA -0.152 4.323 4.470 0.009 0.000 0.238 192 S C 1.231 175.856 174.600 0.041 0.000 0.998 192 S CA 1.426 59.654 58.200 0.048 0.000 0.957 192 S CB -0.288 62.934 63.200 0.036 0.000 0.764 192 S HN 0.780 nan 8.310 nan 0.000 0.514 193 D N 0.770 121.196 120.400 0.043 0.000 2.363 193 D HA 0.159 4.804 4.640 0.009 0.000 0.226 193 D C 1.502 177.825 176.300 0.039 0.000 1.020 193 D CA 0.839 54.860 54.000 0.036 0.000 0.892 193 D CB -0.744 40.077 40.800 0.034 0.000 0.900 193 D HN 0.621 nan 8.370 nan 0.000 0.531 194 G N -0.071 108.759 108.800 0.049 0.000 2.234 194 G HA2 -0.276 3.689 3.960 0.009 0.000 0.235 194 G HA3 -0.276 3.689 3.960 0.009 0.000 0.235 194 G C 0.461 175.401 174.900 0.067 0.000 0.997 194 G CA 0.419 45.550 45.100 0.050 0.000 0.623 194 G HN 0.828 nan 8.290 nan 0.000 0.514 195 S N -0.370 115.372 115.700 0.069 0.000 2.669 195 S HA 0.765 5.241 4.470 0.009 0.000 0.270 195 S C -0.143 174.522 174.600 0.108 0.000 1.225 195 S CA 0.552 58.797 58.200 0.075 0.000 0.991 195 S CB 2.129 65.361 63.200 0.053 0.000 0.987 195 S HN 0.684 nan 8.310 nan 0.000 0.552 196 T N 0.647 115.261 114.554 0.099 0.000 2.881 196 T HA 0.607 4.963 4.350 0.009 0.000 0.290 196 T C -1.080 173.644 174.700 0.040 0.000 1.000 196 T CA -0.550 61.605 62.100 0.091 0.000 0.978 196 T CB 1.491 70.454 68.868 0.158 0.000 0.997 196 T HN 0.714 nan 8.240 nan 0.000 0.443 197 V N 2.240 122.165 119.914 0.020 0.000 2.960 197 V HA 0.848 4.973 4.120 0.009 0.000 0.315 197 V C -0.535 175.560 176.094 0.001 0.000 1.087 197 V CA -0.560 61.737 62.300 -0.005 0.000 0.982 197 V CB 2.341 34.135 31.823 -0.048 0.000 1.039 197 V HN 0.850 nan 8.190 nan 0.000 0.437 198 S N 3.842 119.534 115.700 -0.014 0.000 2.438 198 S HA 0.717 5.192 4.470 0.009 0.000 0.316 198 S C -1.076 173.499 174.600 -0.041 0.000 1.084 198 S CA -0.487 57.719 58.200 0.010 0.000 1.107 198 S CB 0.849 64.058 63.200 0.015 0.000 0.981 198 S HN 0.712 nan 8.310 nan 0.000 0.466 199 V N 7.672 127.561 119.914 -0.041 0.000 2.487 199 V HA 0.476 4.601 4.120 0.009 0.000 0.298 199 V C -2.435 173.667 176.094 0.015 0.000 1.028 199 V CA -2.185 60.038 62.300 -0.128 0.000 0.860 199 V CB 1.665 33.147 31.823 -0.568 0.000 0.991 199 V HN 0.690 nan 8.190 nan 0.000 0.427 200 P HA 0.265 nan 4.420 nan 0.000 0.271 200 P C -0.647 176.682 177.300 0.048 0.000 1.220 200 P CA -0.107 63.019 63.100 0.043 0.000 0.768 200 P CB 0.339 32.052 31.700 0.021 0.000 0.848 201 M N 4.060 123.706 119.600 0.077 0.000 2.047 201 M HA 0.343 4.828 4.480 0.009 0.000 0.342 201 M C -0.008 176.268 176.300 -0.039 0.000 1.058 201 M CA -0.262 55.064 55.300 0.042 0.000 0.991 201 M CB 0.335 32.989 32.600 0.090 0.000 1.474 201 M HN 0.311 nan 8.290 nan 0.000 0.419 202 M N 2.437 121.939 119.600 -0.163 0.000 2.242 202 M HA 0.710 5.195 4.480 0.009 0.000 0.344 202 M C 0.121 176.322 176.300 -0.165 0.000 1.140 202 M CA -0.220 54.918 55.300 -0.270 0.000 1.160 202 M CB 1.069 33.226 32.600 -0.739 0.000 1.491 202 M HN 0.726 nan 8.290 nan 0.000 0.459 203 A N 2.630 125.478 122.820 0.047 0.000 2.574 203 A HA 0.698 5.023 4.320 0.009 0.000 0.297 203 A C -1.487 176.210 177.584 0.189 0.000 1.062 203 A CA -0.729 51.383 52.037 0.126 0.000 0.686 203 A CB 1.876 20.863 19.000 -0.021 0.000 1.285 203 A HN 0.841 nan 8.150 nan 0.000 0.403 204 Q N -0.058 119.822 119.800 0.133 0.000 2.426 204 Q HA 0.726 5.071 4.340 0.009 0.000 0.278 204 Q C -1.443 174.589 176.000 0.053 0.000 1.007 204 Q CA -0.744 55.079 55.803 0.034 0.000 0.850 204 Q CB 1.829 30.509 28.738 -0.097 0.000 1.427 204 Q HN 0.421 nan 8.270 nan 0.000 0.391 205 T N 2.359 116.923 114.554 0.016 0.000 2.786 205 T HA 0.628 4.983 4.350 0.009 0.000 0.283 205 T C -1.079 173.594 174.700 -0.045 0.000 0.992 205 T CA -0.350 61.764 62.100 0.024 0.000 0.954 205 T CB 0.472 69.332 68.868 -0.013 0.000 0.934 205 T HN 0.697 nan 8.240 nan 0.000 0.440 206 N N 0.985 119.639 118.700 -0.077 0.000 3.179 206 N HA 0.281 5.026 4.740 0.009 0.000 0.250 206 N C -1.447 173.801 175.510 -0.437 0.000 1.507 206 N CA -1.024 51.825 53.050 -0.336 0.000 0.883 206 N CB 1.559 39.691 38.487 -0.592 0.000 1.435 206 N HN 0.290 nan 8.380 nan 0.000 0.532 207 K N 0.880 120.981 120.400 -0.498 0.000 2.201 207 K HA 0.466 4.791 4.320 0.009 0.000 0.278 207 K C -1.354 174.897 176.600 -0.581 0.000 1.027 207 K CA 0.053 56.129 56.287 -0.352 0.000 0.909 207 K CB 0.712 33.091 32.500 -0.203 0.000 1.062 207 K HN 0.271 nan 8.250 nan 0.000 0.465 208 F N 0.603 120.513 119.950 -0.065 0.000 2.588 208 F HA 0.249 4.782 4.527 0.010 0.000 0.314 208 F C 0.514 176.322 175.800 0.014 0.000 1.069 208 F CA -1.237 56.733 58.000 -0.051 0.000 0.931 208 F CB 1.238 40.197 39.000 -0.069 0.000 1.260 208 F HN 0.349 nan 8.300 nan 0.000 0.465 209 N N 1.664 120.493 118.700 0.214 0.000 2.454 209 N HA 0.099 4.844 4.740 0.009 0.000 0.260 209 N C -1.344 174.312 175.510 0.244 0.000 1.218 209 N CA 0.373 53.529 53.050 0.176 0.000 0.904 209 N CB 0.351 38.903 38.487 0.109 0.000 1.065 209 N HN 0.639 nan 8.380 nan 0.000 0.462 210 Y N 0.498 120.853 120.300 0.091 0.000 2.581 210 Y HA 0.495 5.050 4.550 0.008 0.000 0.337 210 Y C -0.769 175.191 175.900 0.100 0.000 1.108 210 Y CA -0.548 57.596 58.100 0.073 0.000 1.033 210 Y CB 1.657 40.152 38.460 0.058 0.000 1.318 210 Y HN 0.438 nan 8.280 nan 0.000 0.459 211 T N 3.424 117.566 114.554 -0.686 0.000 2.769 211 T HA 0.478 4.833 4.350 0.009 0.000 0.306 211 T C -2.279 172.094 174.700 -0.545 0.000 1.400 211 T CA -0.723 61.153 62.100 -0.374 0.000 1.007 211 T CB 1.409 70.310 68.868 0.055 0.000 1.392 211 T HN 0.784 nan 8.240 nan 0.000 0.500 212 E N 2.218 122.333 120.200 -0.141 0.000 2.266 212 E HA 0.654 5.010 4.350 0.009 0.000 0.268 212 E C -1.768 174.802 176.600 -0.049 0.000 0.879 212 E CA -0.573 55.793 56.400 -0.057 0.000 0.762 212 E CB 1.657 31.457 29.700 0.168 0.000 1.199 212 E HN 0.404 nan 8.360 nan 0.000 0.422 213 F N 0.188 119.762 119.950 -0.626 0.000 2.640 213 F HA 0.580 5.113 4.527 0.009 0.000 0.324 213 F C -0.030 175.287 175.800 -0.804 0.000 1.077 213 F CA -0.380 57.215 58.000 -0.676 0.000 0.965 213 F CB 2.418 41.020 39.000 -0.664 0.000 1.351 213 F HN 0.544 nan 8.300 nan 0.000 0.487 214 T N -2.183 112.190 114.554 -0.302 0.000 2.893 214 T HA 0.625 4.980 4.350 0.009 0.000 0.291 214 T C -0.280 174.524 174.700 0.173 0.000 1.028 214 T CA -0.791 61.173 62.100 -0.227 0.000 0.995 214 T CB 1.422 69.978 68.868 -0.520 0.000 1.051 214 T HN 0.719 nan 8.240 nan 0.000 0.470 215 T N -0.461 114.242 114.554 0.250 0.000 2.788 215 T HA 0.406 4.762 4.350 0.009 0.000 0.280 215 T C -1.690 173.045 174.700 0.058 0.000 0.984 215 T CA -1.555 60.671 62.100 0.210 0.000 0.972 215 T CB -0.084 68.877 68.868 0.155 0.000 1.039 215 T HN 0.317 nan 8.240 nan 0.000 0.530 216 P HA -0.016 nan 4.420 nan 0.000 0.219 216 P C 0.707 177.972 177.300 -0.059 0.000 1.146 216 P CA 0.935 64.030 63.100 -0.008 0.000 0.808 216 P CB 0.026 31.724 31.700 -0.003 0.000 0.779 217 D N -1.805 118.508 120.400 -0.144 0.000 2.325 217 D HA 0.133 4.778 4.640 0.009 0.000 0.225 217 D C 1.291 177.470 176.300 -0.202 0.000 1.096 217 D CA 0.591 54.451 54.000 -0.232 0.000 0.844 217 D CB -0.117 40.419 40.800 -0.440 0.000 0.925 217 D HN 0.125 nan 8.370 nan 0.000 0.513 218 G N 1.513 110.265 108.800 -0.080 0.000 2.143 218 G HA2 -0.261 3.704 3.960 0.009 0.000 0.248 218 G HA3 -0.261 3.704 3.960 0.009 0.000 0.248 218 G C 0.016 175.048 174.900 0.219 0.000 0.991 218 G CA -0.151 44.973 45.100 0.040 0.000 0.689 218 G HN 0.526 nan 8.290 nan 0.000 0.522 219 H N -0.775 118.365 119.070 0.116 0.000 2.580 219 H HA 0.458 5.019 4.556 0.008 0.000 0.322 219 H C -0.118 175.337 175.328 0.212 0.000 1.082 219 H CA -0.726 55.439 56.048 0.195 0.000 1.383 219 H CB 0.622 30.493 29.762 0.181 0.000 1.450 219 H HN 0.239 nan 8.280 nan 0.000 0.505 220 Y N 2.588 122.979 120.300 0.151 0.000 2.301 220 Y HA 0.141 4.696 4.550 0.008 0.000 0.325 220 Y C -0.197 175.912 175.900 0.348 0.000 1.203 220 Y CA -0.499 57.599 58.100 -0.002 0.000 1.255 220 Y CB 0.544 38.638 38.460 -0.611 0.000 1.232 220 Y HN 0.538 nan 8.280 nan 0.000 0.501 221 Y N -1.070 119.488 120.300 0.430 0.000 2.544 221 Y HA 0.552 5.108 4.550 0.010 0.000 0.342 221 Y C -1.315 174.809 175.900 0.372 0.000 1.062 221 Y CA -1.576 56.791 58.100 0.444 0.000 1.023 221 Y CB 1.145 39.739 38.460 0.224 0.000 1.308 221 Y HN 0.417 nan 8.280 nan 0.000 0.457 222 D N 3.290 123.859 120.400 0.283 0.000 2.225 222 D HA 0.546 5.191 4.640 0.009 0.000 0.249 222 D C -0.687 175.551 176.300 -0.104 0.000 1.052 222 D CA 0.076 54.076 54.000 0.000 0.000 0.909 222 D CB 2.396 43.178 40.800 -0.029 0.000 1.186 222 D HN 0.625 nan 8.370 nan 0.000 0.431 223 I N 1.990 122.355 120.570 -0.343 0.000 2.534 223 I HA 0.270 4.445 4.170 0.009 0.000 0.286 223 I C -0.765 175.215 176.117 -0.228 0.000 1.094 223 I CA -0.546 60.547 61.300 -0.344 0.000 1.055 223 I CB 2.249 39.840 38.000 -0.682 0.000 1.225 223 I HN 0.049 nan 8.210 nan 0.000 0.435 224 L N 5.797 126.980 121.223 -0.067 0.000 2.346 224 L HA 0.605 4.950 4.340 0.009 0.000 0.274 224 L C -0.592 176.224 176.870 -0.090 0.000 1.007 224 L CA -0.271 54.562 54.840 -0.012 0.000 0.818 224 L CB 2.145 44.177 42.059 -0.046 0.000 1.284 224 L HN 0.651 nan 8.230 nan 0.000 0.424 225 E N 4.258 124.379 120.200 -0.131 0.000 2.133 225 E HA 0.344 4.700 4.350 0.009 0.000 0.274 225 E C -1.711 174.785 176.600 -0.173 0.000 0.930 225 E CA -0.824 55.365 56.400 -0.350 0.000 0.770 225 E CB 1.717 31.120 29.700 -0.495 0.000 1.104 225 E HN 0.523 nan 8.360 nan 0.000 0.403 226 L N 7.850 128.952 121.223 -0.202 0.000 2.295 226 L HA 0.502 4.847 4.340 0.009 0.000 0.281 226 L C -2.560 174.256 176.870 -0.089 0.000 1.018 226 L CA -2.262 52.489 54.840 -0.150 0.000 0.841 226 L CB 1.251 43.098 42.059 -0.353 0.000 1.218 226 L HN 0.428 nan 8.230 nan 0.000 0.424 227 P HA 0.178 nan 4.420 nan 0.000 0.281 227 P C -1.282 176.069 177.300 0.085 0.000 1.249 227 P CA -0.142 62.986 63.100 0.046 0.000 0.810 227 P CB 0.764 32.510 31.700 0.076 0.000 1.008 228 Y N 0.652 121.148 120.300 0.328 0.000 2.354 228 Y HA 0.099 4.654 4.550 0.008 0.000 0.322 228 Y C 2.380 178.466 175.900 0.309 0.000 1.253 228 Y CA 0.121 58.414 58.100 0.322 0.000 1.272 228 Y CB 0.262 38.899 38.460 0.294 0.000 1.255 228 Y HN 0.498 nan 8.280 nan 0.000 0.500 229 H N -0.942 118.283 119.070 0.260 0.000 2.543 229 H HA -0.018 4.543 4.556 0.009 0.000 0.286 229 H C 1.457 176.867 175.328 0.137 0.000 1.037 229 H CA 1.055 57.199 56.048 0.160 0.000 1.250 229 H CB -0.744 29.088 29.762 0.115 0.000 1.373 229 H HN 0.796 nan 8.280 nan 0.000 0.580 230 G N -0.078 108.742 108.800 0.032 0.000 3.042 230 G HA2 -0.072 3.893 3.960 0.009 0.000 0.212 230 G HA3 -0.072 3.893 3.960 0.009 0.000 0.212 230 G C 0.039 174.987 174.900 0.080 0.000 1.166 230 G CA 0.277 45.357 45.100 -0.034 0.000 0.767 230 G HN 0.374 nan 8.290 nan 0.000 0.546 231 D N -0.366 120.116 120.400 0.137 0.000 2.983 231 D HA -0.197 4.449 4.640 0.009 0.000 0.225 231 D C 1.699 178.066 176.300 0.111 0.000 1.174 231 D CA 1.638 55.712 54.000 0.123 0.000 0.831 231 D CB -1.309 39.540 40.800 0.083 0.000 1.104 231 D HN 0.628 nan 8.370 nan 0.000 0.421 232 T N -3.369 111.266 114.554 0.134 0.000 2.978 232 T HA 0.366 4.721 4.350 0.009 0.000 0.248 232 T C 0.919 175.665 174.700 0.078 0.000 1.018 232 T CA -0.142 61.995 62.100 0.061 0.000 1.026 232 T CB 0.753 69.672 68.868 0.085 0.000 1.032 232 T HN 0.087 nan 8.240 nan 0.000 0.485 233 L N 2.265 123.629 121.223 0.234 0.000 2.333 233 L HA 0.796 5.141 4.340 0.009 0.000 0.269 233 L C -0.293 176.880 176.870 0.505 0.000 1.010 233 L CA -0.636 54.401 54.840 0.329 0.000 0.818 233 L CB 2.317 44.556 42.059 0.300 0.000 1.306 233 L HN 0.423 nan 8.230 nan 0.000 0.430 234 S N 1.534 117.537 115.700 0.504 0.000 2.615 234 S HA 0.649 5.124 4.470 0.009 0.000 0.269 234 S C -1.013 173.849 174.600 0.438 0.000 1.161 234 S CA -0.909 57.513 58.200 0.370 0.000 0.817 234 S CB 1.671 64.894 63.200 0.038 0.000 1.131 234 S HN 0.607 nan 8.310 nan 0.000 0.467 235 M N 2.198 121.962 119.600 0.273 0.000 2.125 235 M HA 0.576 5.061 4.480 0.009 0.000 0.321 235 M C -2.104 174.324 176.300 0.214 0.000 0.983 235 M CA -0.636 54.911 55.300 0.411 0.000 0.934 235 M CB 0.417 33.309 32.600 0.486 0.000 1.542 235 M HN 0.681 nan 8.290 nan 0.000 0.424 236 F N 5.536 125.665 119.950 0.299 0.000 2.404 236 F HA 0.492 5.024 4.527 0.008 0.000 0.345 236 F C -0.170 175.776 175.800 0.244 0.000 1.110 236 F CA -0.227 57.909 58.000 0.227 0.000 1.130 236 F CB 0.871 40.038 39.000 0.278 0.000 1.129 236 F HN 0.418 nan 8.300 nan 0.000 0.500 237 I N 3.119 123.846 120.570 0.263 0.000 2.418 237 I HA 0.622 4.797 4.170 0.009 0.000 0.287 237 I C -0.541 175.649 176.117 0.121 0.000 1.008 237 I CA -0.538 60.903 61.300 0.235 0.000 1.104 237 I CB 1.538 39.584 38.000 0.077 0.000 1.264 237 I HN 0.671 nan 8.210 nan 0.000 0.438 238 A N 5.234 128.161 122.820 0.178 0.000 2.386 238 A HA 0.999 5.324 4.320 0.009 0.000 0.311 238 A C -0.960 176.725 177.584 0.168 0.000 1.068 238 A CA -0.500 51.585 52.037 0.080 0.000 0.743 238 A CB 1.725 20.698 19.000 -0.045 0.000 1.258 238 A HN 0.838 nan 8.150 nan 0.000 0.429 239 A N 2.747 125.655 122.820 0.146 0.000 2.566 239 A HA 0.862 5.188 4.320 0.009 0.000 0.297 239 A C -3.228 174.479 177.584 0.205 0.000 1.059 239 A CA -1.312 50.825 52.037 0.167 0.000 0.691 239 A CB 1.288 20.363 19.000 0.126 0.000 1.282 239 A HN 0.615 nan 8.150 nan 0.000 0.401 240 P HA 0.096 nan 4.420 nan 0.000 0.269 240 P C -0.045 177.429 177.300 0.291 0.000 1.215 240 P CA 0.304 63.589 63.100 0.309 0.000 0.780 240 P CB 0.528 32.361 31.700 0.222 0.000 0.898 241 Y N -0.229 120.172 120.300 0.168 0.000 2.163 241 Y HA -0.086 4.469 4.550 0.008 0.000 0.288 241 Y C 1.550 177.488 175.900 0.064 0.000 1.136 241 Y CA 1.537 59.705 58.100 0.113 0.000 1.147 241 Y CB -0.195 38.333 38.460 0.113 0.000 0.987 241 Y HN 0.301 nan 8.280 nan 0.000 0.509 242 E N 0.782 121.121 120.200 0.231 0.000 2.197 242 E HA 0.061 4.416 4.350 0.009 0.000 0.281 242 E C 0.562 177.207 176.600 0.075 0.000 0.995 242 E CA -0.263 56.203 56.400 0.109 0.000 0.808 242 E CB 1.572 31.305 29.700 0.054 0.000 1.093 242 E HN 0.200 nan 8.360 nan 0.000 0.394 243 K N 2.760 123.190 120.400 0.051 0.000 2.442 243 K HA -0.154 4.171 4.320 0.009 0.000 0.198 243 K C 1.275 177.892 176.600 0.029 0.000 1.044 243 K CA 1.242 57.553 56.287 0.040 0.000 0.948 243 K CB 0.278 32.793 32.500 0.025 0.000 0.762 243 K HN 0.482 nan 8.250 nan 0.000 0.472 244 E N -0.525 119.684 120.200 0.015 0.000 2.216 244 E HA -0.022 4.333 4.350 0.009 0.000 0.192 244 E C 0.089 176.683 176.600 -0.011 0.000 0.988 244 E CA 0.170 56.569 56.400 -0.001 0.000 0.834 244 E CB 0.134 29.824 29.700 -0.017 0.000 0.772 244 E HN -0.081 nan 8.360 nan 0.000 0.479 245 V N 4.636 124.541 119.914 -0.015 0.000 2.488 245 V HA 0.164 4.289 4.120 0.009 0.000 0.277 245 V C -1.826 174.301 176.094 0.055 0.000 1.046 245 V CA -1.634 60.657 62.300 -0.014 0.000 0.986 245 V CB 0.736 32.541 31.823 -0.029 0.000 0.989 245 V HN 0.220 nan 8.190 nan 0.000 0.475 246 P HA 0.083 nan 4.420 nan 0.000 0.275 246 P C 0.588 177.933 177.300 0.075 0.000 1.228 246 P CA -0.398 62.742 63.100 0.067 0.000 0.786 246 P CB 1.387 33.123 31.700 0.061 0.000 0.927 247 L N 3.277 124.536 121.223 0.059 0.000 2.275 247 L HA -0.154 4.191 4.340 0.009 0.000 0.215 247 L C 2.412 179.301 176.870 0.032 0.000 1.119 247 L CA 2.072 56.944 54.840 0.053 0.000 0.790 247 L CB -1.184 40.908 42.059 0.055 0.000 0.919 247 L HN 0.460 nan 8.230 nan 0.000 0.443 248 S N -1.067 114.648 115.700 0.025 0.000 2.442 248 S HA -0.152 4.323 4.470 0.009 0.000 0.236 248 S C 2.115 176.724 174.600 0.015 0.000 1.007 248 S CA 0.767 58.970 58.200 0.006 0.000 0.965 248 S CB -0.822 62.378 63.200 -0.001 0.000 0.773 248 S HN 0.456 nan 8.310 nan 0.000 0.504 249 A N 1.187 124.036 122.820 0.048 0.000 2.019 249 A HA 0.123 4.448 4.320 0.009 0.000 0.219 249 A C 2.145 179.737 177.584 0.013 0.000 1.164 249 A CA 1.453 53.528 52.037 0.063 0.000 0.644 249 A CB -0.547 18.557 19.000 0.174 0.000 0.805 249 A HN 0.540 nan 8.150 nan 0.000 0.449 250 L N -0.333 120.868 121.223 -0.036 0.000 2.200 250 L HA 0.019 4.364 4.340 0.009 0.000 0.200 250 L C 2.571 179.417 176.870 -0.041 0.000 1.072 250 L CA 2.628 57.388 54.840 -0.132 0.000 0.787 250 L CB -0.981 40.925 42.059 -0.255 0.000 0.957 250 L HN 0.441 nan 8.230 nan 0.000 0.459 251 T N -2.989 111.562 114.554 -0.006 0.000 2.929 251 T HA -0.098 4.257 4.350 0.009 0.000 0.271 251 T C 1.577 176.267 174.700 -0.018 0.000 1.085 251 T CA 1.218 63.325 62.100 0.012 0.000 1.125 251 T CB -0.666 68.208 68.868 0.009 0.000 0.874 251 T HN 0.288 nan 8.240 nan 0.000 0.494 252 N N 1.538 120.225 118.700 -0.021 0.000 2.515 252 N HA 0.128 4.874 4.740 0.009 0.000 0.185 252 N C 1.506 177.007 175.510 -0.015 0.000 1.109 252 N CA 0.811 53.846 53.050 -0.025 0.000 0.903 252 N CB -0.084 38.392 38.487 -0.018 0.000 0.969 252 N HN 0.819 nan 8.380 nan 0.000 0.450 253 I N -3.781 116.785 120.570 -0.007 0.000 4.240 253 I HA 0.258 4.433 4.170 0.009 0.000 0.331 253 I C -0.077 176.026 176.117 -0.024 0.000 1.381 253 I CA -0.275 61.026 61.300 0.002 0.000 1.136 253 I CB 0.264 38.289 38.000 0.041 0.000 1.137 253 I HN -0.223 nan 8.210 nan 0.000 0.411 254 L N 3.195 124.394 121.223 -0.041 0.000 2.485 254 L HA 0.213 4.558 4.340 0.009 0.000 0.275 254 L C 0.358 177.154 176.870 -0.123 0.000 1.207 254 L CA 0.664 55.443 54.840 -0.101 0.000 0.855 254 L CB 0.850 42.882 42.059 -0.046 0.000 1.114 254 L HN 0.654 nan 8.230 nan 0.000 0.485 255 S N 1.470 117.043 115.700 -0.211 0.000 2.611 255 S HA 0.511 4.986 4.470 0.009 0.000 0.268 255 S C 0.208 174.652 174.600 -0.259 0.000 1.156 255 S CA -0.265 57.827 58.200 -0.179 0.000 0.817 255 S CB 1.422 64.553 63.200 -0.115 0.000 1.122 255 S HN 0.617 nan 8.310 nan 0.000 0.466 256 A N 0.843 123.539 122.820 -0.208 0.000 1.902 256 A HA -0.049 4.277 4.320 0.009 0.000 0.217 256 A C 2.089 179.545 177.584 -0.213 0.000 1.181 256 A CA 1.772 53.675 52.037 -0.225 0.000 0.623 256 A CB -1.207 17.621 19.000 -0.287 0.000 0.818 256 A HN 0.846 nan 8.150 nan 0.000 0.443 257 Q N -1.167 118.551 119.800 -0.136 0.000 2.084 257 Q HA -0.173 4.172 4.340 0.009 0.000 0.202 257 Q C 2.096 177.756 176.000 -0.568 0.000 0.978 257 Q CA 1.464 57.091 55.803 -0.293 0.000 0.844 257 Q CB -0.337 28.308 28.738 -0.155 0.000 0.898 257 Q HN 0.597 nan 8.270 nan 0.000 0.426 258 L N 0.761 121.732 121.223 -0.420 0.000 2.046 258 L HA -0.172 4.173 4.340 0.009 0.000 0.208 258 L C 1.953 178.276 176.870 -0.912 0.000 1.077 258 L CA 1.617 56.153 54.840 -0.507 0.000 0.747 258 L CB -0.356 41.414 42.059 -0.481 0.000 0.896 258 L HN 0.193 nan 8.230 nan 0.000 0.432 259 I N -1.161 118.840 120.570 -0.949 0.000 2.286 259 I HA -0.297 3.878 4.170 0.009 0.000 0.248 259 I C 2.664 178.471 176.117 -0.516 0.000 1.115 259 I CA 1.449 62.175 61.300 -0.958 0.000 1.392 259 I CB -0.463 37.118 38.000 -0.698 0.000 1.065 259 I HN 0.377 nan 8.210 nan 0.000 0.418 260 S N 0.011 115.462 115.700 -0.414 0.000 2.368 260 S HA -0.214 4.262 4.470 0.009 0.000 0.225 260 S C 2.140 176.690 174.600 -0.083 0.000 1.030 260 S CA 1.311 59.370 58.200 -0.236 0.000 0.999 260 S CB -0.314 62.724 63.200 -0.271 0.000 0.844 260 S HN 0.441 nan 8.310 nan 0.000 0.459 261 H N -0.485 118.555 119.070 -0.051 0.000 2.423 261 H HA -0.029 4.532 4.556 0.009 0.000 0.297 261 H C 1.840 177.315 175.328 0.245 0.000 1.075 261 H CA 1.157 57.269 56.048 0.107 0.000 1.342 261 H CB -0.591 29.264 29.762 0.155 0.000 1.395 261 H HN 0.528 nan 8.280 nan 0.000 0.530 262 W N 1.733 123.018 121.300 -0.025 0.000 2.333 262 W HA -0.141 4.524 4.660 0.007 0.000 0.316 262 W C 2.657 179.258 176.519 0.137 0.000 1.215 262 W CA 1.165 58.433 57.345 -0.129 0.000 1.278 262 W CB -0.950 28.354 29.460 -0.260 0.000 1.154 262 W HN 0.146 nan 8.180 nan 0.000 0.486 263 K N 0.256 120.898 120.400 0.402 0.000 2.063 263 K HA -0.116 4.209 4.320 0.009 0.000 0.208 263 K C 2.180 178.966 176.600 0.310 0.000 1.048 263 K CA 2.181 58.721 56.287 0.421 0.000 0.928 263 K CB -1.186 31.526 32.500 0.354 0.000 0.713 263 K HN 0.036 nan 8.250 nan 0.000 0.442 264 G N -0.761 108.204 108.800 0.274 0.000 2.559 264 G HA2 -0.185 3.781 3.960 0.009 0.000 0.216 264 G HA3 -0.185 3.781 3.960 0.009 0.000 0.216 264 G C 0.967 176.008 174.900 0.235 0.000 1.126 264 G CA 0.662 45.902 45.100 0.234 0.000 0.778 264 G HN 0.427 nan 8.290 nan 0.000 0.543 265 N N -0.668 118.214 118.700 0.302 0.000 2.236 265 N HA 0.288 5.034 4.740 0.009 0.000 0.196 265 N C 0.608 176.257 175.510 0.231 0.000 1.114 265 N CA -0.198 53.016 53.050 0.272 0.000 0.859 265 N CB 0.278 38.996 38.487 0.385 0.000 0.982 265 N HN 0.225 nan 8.380 nan 0.000 0.493 266 M N 0.210 119.948 119.600 0.230 0.000 2.242 266 M HA 0.178 4.664 4.480 0.009 0.000 0.344 266 M C -0.303 176.093 176.300 0.161 0.000 1.140 266 M CA 0.505 55.920 55.300 0.192 0.000 1.160 266 M CB 0.998 33.718 32.600 0.201 0.000 1.491 266 M HN -0.048 nan 8.290 nan 0.000 0.459 267 T N 1.870 116.524 114.554 0.166 0.000 2.861 267 T HA 0.361 4.716 4.350 0.009 0.000 0.287 267 T C -0.574 174.213 174.700 0.145 0.000 1.003 267 T CA -0.799 61.385 62.100 0.140 0.000 0.977 267 T CB 1.500 70.451 68.868 0.138 0.000 0.996 267 T HN 0.567 nan 8.240 nan 0.000 0.448 268 R N 3.193 123.750 120.500 0.096 0.000 2.288 268 R HA 0.490 4.836 4.340 0.009 0.000 0.330 268 R C -1.015 175.313 176.300 0.047 0.000 1.069 268 R CA 0.039 56.179 56.100 0.067 0.000 0.941 268 R CB -0.234 30.079 30.300 0.022 0.000 0.998 268 R HN 0.535 nan 8.270 nan 0.000 0.452 269 L N 5.815 127.072 121.223 0.056 0.000 2.350 269 L HA 0.563 4.908 4.340 0.009 0.000 0.260 269 L C -2.312 174.541 176.870 -0.029 0.000 1.015 269 L CA -2.827 52.017 54.840 0.007 0.000 0.821 269 L CB 2.659 44.720 42.059 0.003 0.000 1.370 269 L HN 0.506 nan 8.230 nan 0.000 0.416 270 P HA 0.274 nan 4.420 nan 0.000 0.271 270 P C -1.265 175.999 177.300 -0.061 0.000 1.220 270 P CA -0.270 62.795 63.100 -0.059 0.000 0.768 270 P CB 0.626 32.288 31.700 -0.063 0.000 0.848 271 R N 2.198 122.710 120.500 0.020 0.000 2.643 271 R HA 0.439 4.784 4.340 0.009 0.000 0.269 271 R C -1.314 175.016 176.300 0.050 0.000 1.037 271 R CA -1.132 54.963 56.100 -0.010 0.000 0.894 271 R CB 1.535 31.821 30.300 -0.024 0.000 1.238 271 R HN 0.340 nan 8.270 nan 0.000 0.459 272 L N 2.849 124.052 121.223 -0.033 0.000 2.260 272 L HA 0.441 4.786 4.340 0.009 0.000 0.289 272 L C -1.051 175.773 176.870 -0.077 0.000 1.057 272 L CA -0.448 54.377 54.840 -0.025 0.000 0.811 272 L CB 0.741 42.772 42.059 -0.046 0.000 1.184 272 L HN 0.543 nan 8.230 nan 0.000 0.429 273 L N 6.709 127.885 121.223 -0.079 0.000 2.287 273 L HA 0.671 5.016 4.340 0.009 0.000 0.287 273 L C -1.109 175.721 176.870 -0.067 0.000 1.022 273 L CA -0.151 54.576 54.840 -0.188 0.000 0.814 273 L CB 1.649 43.427 42.059 -0.468 0.000 1.217 273 L HN 0.428 nan 8.230 nan 0.000 0.420 274 V N 6.435 126.278 119.914 -0.119 0.000 2.409 274 V HA 0.574 4.699 4.120 0.009 0.000 0.291 274 V C -0.731 175.253 176.094 -0.184 0.000 1.020 274 V CA -0.516 61.720 62.300 -0.107 0.000 0.848 274 V CB 1.506 33.272 31.823 -0.094 0.000 0.990 274 V HN 0.678 nan 8.190 nan 0.000 0.430 275 L N 8.495 129.584 121.223 -0.223 0.000 2.436 275 L HA 0.753 5.098 4.340 0.009 0.000 0.268 275 L C -2.578 174.195 176.870 -0.161 0.000 0.974 275 L CA -1.673 53.018 54.840 -0.248 0.000 0.826 275 L CB 2.959 44.822 42.059 -0.327 0.000 1.291 275 L HN 0.396 nan 8.230 nan 0.000 0.406 276 P HA 0.096 nan 4.420 nan 0.000 0.271 276 P C -1.489 175.927 177.300 0.193 0.000 1.218 276 P CA -0.406 62.762 63.100 0.112 0.000 0.780 276 P CB 0.825 32.612 31.700 0.146 0.000 0.901 277 K N 3.649 124.103 120.400 0.091 0.000 2.248 277 K HA 0.447 4.772 4.320 0.009 0.000 0.281 277 K C -0.712 175.970 176.600 0.136 0.000 1.054 277 K CA -0.444 55.864 56.287 0.035 0.000 0.903 277 K CB -0.023 32.458 32.500 -0.032 0.000 1.077 277 K HN 0.515 nan 8.250 nan 0.000 0.474 278 F N -0.543 119.362 119.950 -0.075 0.000 2.817 278 F HA 0.546 5.077 4.527 0.007 0.000 0.317 278 F C -1.644 174.118 175.800 -0.062 0.000 1.168 278 F CA -1.013 56.937 58.000 -0.082 0.000 0.911 278 F CB 1.247 40.188 39.000 -0.098 0.000 1.337 278 F HN 0.198 nan 8.300 nan 0.000 0.464 279 S N 1.573 117.305 115.700 0.054 0.000 2.571 279 S HA 0.779 5.254 4.470 0.009 0.000 0.284 279 S C -1.935 172.785 174.600 0.199 0.000 1.128 279 S CA -0.506 57.683 58.200 -0.018 0.000 0.970 279 S CB 1.713 64.895 63.200 -0.029 0.000 1.039 279 S HN 0.831 nan 8.310 nan 0.000 0.485 280 L N 2.633 123.970 121.223 0.190 0.000 2.436 280 L HA 0.664 5.009 4.340 0.009 0.000 0.268 280 L C -1.037 175.921 176.870 0.146 0.000 0.974 280 L CA -0.123 54.848 54.840 0.219 0.000 0.826 280 L CB 1.859 44.129 42.059 0.351 0.000 1.291 280 L HN 0.777 nan 8.230 nan 0.000 0.406 281 E N 2.645 122.916 120.200 0.118 0.000 2.241 281 E HA 0.688 5.044 4.350 0.009 0.000 0.263 281 E C -1.536 175.129 176.600 0.108 0.000 0.882 281 E CA -0.401 56.062 56.400 0.105 0.000 0.769 281 E CB 1.579 31.324 29.700 0.075 0.000 1.185 281 E HN 0.760 nan 8.360 nan 0.000 0.415 282 T N 0.713 115.343 114.554 0.126 0.000 2.883 282 T HA 0.520 4.875 4.350 0.009 0.000 0.296 282 T C -0.695 174.080 174.700 0.124 0.000 1.117 282 T CA -0.965 61.207 62.100 0.120 0.000 1.006 282 T CB 1.851 70.802 68.868 0.137 0.000 1.191 282 T HN 0.424 nan 8.240 nan 0.000 0.508 283 E N 0.988 121.252 120.200 0.107 0.000 2.246 283 E HA 0.592 4.947 4.350 0.009 0.000 0.266 283 E C -1.564 175.098 176.600 0.104 0.000 0.880 283 E CA -0.853 55.611 56.400 0.106 0.000 0.762 283 E CB 1.897 31.646 29.700 0.080 0.000 1.180 283 E HN 0.577 nan 8.360 nan 0.000 0.416 284 V N 3.249 123.242 119.914 0.133 0.000 2.581 284 V HA 0.231 4.356 4.120 0.009 0.000 0.303 284 V C -0.321 175.835 176.094 0.102 0.000 1.041 284 V CA -0.851 61.522 62.300 0.122 0.000 0.907 284 V CB 1.817 33.757 31.823 0.194 0.000 0.994 284 V HN 0.711 nan 8.190 nan 0.000 0.442 285 D N 3.035 123.469 120.400 0.056 0.000 2.280 285 D HA 0.327 4.972 4.640 0.009 0.000 0.243 285 D C 0.513 176.834 176.300 0.035 0.000 1.129 285 D CA -0.099 53.922 54.000 0.036 0.000 0.848 285 D CB 1.448 42.245 40.800 -0.006 0.000 1.107 285 D HN 0.424 nan 8.370 nan 0.000 0.471 286 L N 3.566 124.833 121.223 0.073 0.000 2.607 286 L HA 0.223 4.568 4.340 0.009 0.000 0.228 286 L C 2.288 179.187 176.870 0.048 0.000 1.123 286 L CA -0.274 54.622 54.840 0.093 0.000 0.890 286 L CB -0.110 42.057 42.059 0.179 0.000 1.103 286 L HN 0.391 nan 8.230 nan 0.000 0.468 287 R N 1.388 121.842 120.500 -0.077 0.000 2.088 287 R HA -0.193 4.152 4.340 0.009 0.000 0.232 287 R C 2.159 178.265 176.300 -0.323 0.000 1.136 287 R CA 1.835 57.691 56.100 -0.408 0.000 0.926 287 R CB 0.014 29.943 30.300 -0.618 0.000 0.837 287 R HN 0.221 nan 8.270 nan 0.000 0.429 288 K N -0.596 119.676 120.400 -0.214 0.000 2.057 288 K HA -0.074 4.251 4.320 0.009 0.000 0.207 288 K C -0.765 175.783 176.600 -0.088 0.000 1.049 288 K CA 1.517 57.716 56.287 -0.147 0.000 0.931 288 K CB -0.811 31.615 32.500 -0.122 0.000 0.714 288 K HN 0.283 nan 8.250 nan 0.000 0.440 289 P HA -0.164 nan 4.420 nan 0.000 0.215 289 P C 1.317 178.606 177.300 -0.019 0.000 1.157 289 P CA 1.228 64.282 63.100 -0.076 0.000 0.868 289 P CB 0.052 31.693 31.700 -0.097 0.000 0.788 290 L N -0.725 120.533 121.223 0.058 0.000 2.056 290 L HA -0.166 4.179 4.340 0.009 0.000 0.207 290 L C 2.382 179.357 176.870 0.176 0.000 1.078 290 L CA 1.534 56.473 54.840 0.164 0.000 0.749 290 L CB -0.882 41.377 42.059 0.333 0.000 0.901 290 L HN 0.024 nan 8.230 nan 0.000 0.433 291 E N 0.081 120.367 120.200 0.144 0.000 2.077 291 E HA -0.205 4.150 4.350 0.009 0.000 0.193 291 E C 1.814 178.449 176.600 0.059 0.000 0.989 291 E CA 1.103 57.574 56.400 0.118 0.000 0.800 291 E CB -0.126 29.588 29.700 0.024 0.000 0.746 291 E HN 0.438 nan 8.360 nan 0.000 0.452 292 N N 0.559 119.268 118.700 0.016 0.000 2.364 292 N HA -0.108 4.638 4.740 0.009 0.000 0.183 292 N C 1.349 176.866 175.510 0.011 0.000 1.022 292 N CA 0.788 53.836 53.050 -0.003 0.000 0.883 292 N CB 0.017 38.483 38.487 -0.037 0.000 0.965 292 N HN 0.194 nan 8.380 nan 0.000 0.438 293 L N -1.194 120.049 121.223 0.034 0.000 2.611 293 L HA 0.245 4.590 4.340 0.009 0.000 0.229 293 L C 1.222 178.136 176.870 0.073 0.000 1.137 293 L CA 0.194 55.064 54.840 0.051 0.000 0.901 293 L CB -0.030 42.067 42.059 0.063 0.000 1.098 293 L HN 0.214 nan 8.230 nan 0.000 0.456 294 G N -0.055 108.786 108.800 0.069 0.000 2.218 294 G HA2 -0.269 3.696 3.960 0.009 0.000 0.216 294 G HA3 -0.269 3.696 3.960 0.009 0.000 0.216 294 G C 0.371 175.314 174.900 0.073 0.000 0.994 294 G CA -0.382 44.755 45.100 0.062 0.000 0.637 294 G HN 0.235 nan 8.290 nan 0.000 0.505 295 M N 3.223 122.887 119.600 0.108 0.000 3.422 295 M HA 0.286 4.771 4.480 0.009 0.000 0.248 295 M C 1.812 178.223 176.300 0.184 0.000 1.433 295 M CA 0.748 56.113 55.300 0.108 0.000 1.592 295 M CB 0.287 32.956 32.600 0.116 0.000 1.078 295 M HN 0.367 nan 8.290 nan 0.000 0.578 296 T N -3.831 110.811 114.554 0.146 0.000 3.010 296 T HA -0.001 4.354 4.350 0.009 0.000 0.252 296 T C 1.201 176.005 174.700 0.173 0.000 1.047 296 T CA 0.648 62.866 62.100 0.198 0.000 1.140 296 T CB -0.003 68.935 68.868 0.117 0.000 0.885 296 T HN 0.306 nan 8.240 nan 0.000 0.464 297 D N 2.466 122.912 120.400 0.077 0.000 2.133 297 D HA -0.125 4.520 4.640 0.009 0.000 0.195 297 D C 2.175 178.488 176.300 0.021 0.000 0.997 297 D CA 1.690 55.715 54.000 0.042 0.000 0.840 297 D CB -0.499 40.302 40.800 0.002 0.000 0.947 297 D HN 0.668 nan 8.370 nan 0.000 0.452 298 M N -1.633 117.917 119.600 -0.084 0.000 2.346 298 M HA -0.098 4.387 4.480 0.009 0.000 0.263 298 M C 0.936 177.140 176.300 -0.161 0.000 1.064 298 M CA 1.432 56.624 55.300 -0.180 0.000 1.083 298 M CB -0.451 31.909 32.600 -0.401 0.000 1.399 298 M HN -0.131 nan 8.290 nan 0.000 0.435 299 F N 0.990 121.015 119.950 0.126 0.000 2.727 299 F HA 0.340 4.874 4.527 0.012 0.000 0.302 299 F C 0.526 176.379 175.800 0.088 0.000 1.097 299 F CA -0.166 57.918 58.000 0.139 0.000 1.330 299 F CB 0.102 39.153 39.000 0.086 0.000 1.084 299 F HN 0.010 nan 8.300 nan 0.000 0.578 300 R N 1.054 121.643 120.500 0.148 0.000 2.229 300 R HA 0.144 4.489 4.340 0.009 0.000 0.332 300 R C 1.284 177.439 176.300 -0.242 0.000 0.989 300 R CA -0.259 55.824 56.100 -0.029 0.000 0.842 300 R CB 1.091 31.412 30.300 0.035 0.000 1.119 300 R HN 0.211 nan 8.270 nan 0.000 0.456 301 Q N 2.091 121.485 119.800 -0.677 0.000 2.182 301 Q HA -0.224 4.122 4.340 0.009 0.000 0.213 301 Q C 0.157 175.729 176.000 -0.714 0.000 1.000 301 Q CA 2.090 57.269 55.803 -1.040 0.000 0.889 301 Q CB 0.086 28.122 28.738 -1.170 0.000 0.932 301 Q HN 0.595 nan 8.270 nan 0.000 0.415 302 F N -1.419 118.465 119.950 -0.111 0.000 2.678 302 F HA 0.216 4.748 4.527 0.009 0.000 0.305 302 F C 1.824 177.616 175.800 -0.013 0.000 1.090 302 F CA 0.025 57.999 58.000 -0.042 0.000 1.272 302 F CB 0.441 39.418 39.000 -0.039 0.000 1.060 302 F HN 0.113 nan 8.300 nan 0.000 0.576 303 Q N 0.896 120.756 119.800 0.100 0.000 2.423 303 Q HA 0.413 4.758 4.340 0.009 0.000 0.231 303 Q C 1.062 177.100 176.000 0.064 0.000 0.894 303 Q CA 0.328 56.179 55.803 0.081 0.000 0.938 303 Q CB 0.306 29.084 28.738 0.065 0.000 1.079 303 Q HN 0.150 nan 8.270 nan 0.000 0.552 304 A N 1.294 124.157 122.820 0.071 0.000 2.555 304 A HA 0.128 4.453 4.320 0.009 0.000 0.233 304 A C -0.370 177.286 177.584 0.120 0.000 1.060 304 A CA 0.618 52.719 52.037 0.107 0.000 0.759 304 A CB 0.058 19.197 19.000 0.232 0.000 0.995 304 A HN 0.399 nan 8.150 nan 0.000 0.506 305 D N 1.368 121.790 120.400 0.037 0.000 2.469 305 D HA 0.450 5.095 4.640 0.009 0.000 0.251 305 D C -1.304 174.933 176.300 -0.105 0.000 1.173 305 D CA -0.255 53.751 54.000 0.011 0.000 0.882 305 D CB 0.467 41.242 40.800 -0.042 0.000 1.129 305 D HN 0.272 nan 8.370 nan 0.000 0.549 306 F N 1.812 121.728 119.950 -0.056 0.000 2.855 306 F HA 0.086 4.618 4.527 0.008 0.000 0.317 306 F C 2.118 177.865 175.800 -0.088 0.000 1.169 306 F CA -0.208 57.741 58.000 -0.085 0.000 1.299 306 F CB 0.731 39.664 39.000 -0.112 0.000 0.962 306 F HN 0.307 nan 8.300 nan 0.000 0.506 307 T N -4.610 109.970 114.554 0.043 0.000 3.113 307 T HA -0.085 4.270 4.350 0.009 0.000 0.263 307 T C 2.006 176.708 174.700 0.003 0.000 1.143 307 T CA 1.185 63.298 62.100 0.021 0.000 1.090 307 T CB -0.120 68.760 68.868 0.019 0.000 0.922 307 T HN 0.106 nan 8.240 nan 0.000 0.521 308 S N 0.515 116.210 115.700 -0.009 0.000 2.461 308 S HA 0.205 4.680 4.470 0.009 0.000 0.228 308 S C 1.525 176.096 174.600 -0.049 0.000 1.005 308 S CA 0.370 58.589 58.200 0.032 0.000 0.942 308 S CB -0.169 63.074 63.200 0.071 0.000 0.776 308 S HN 0.465 nan 8.310 nan 0.000 0.514 309 L N 0.104 121.212 121.223 -0.192 0.000 2.262 309 L HA 0.409 4.754 4.340 0.009 0.000 0.197 309 L C 0.498 177.199 176.870 -0.281 0.000 1.073 309 L CA 0.951 55.480 54.840 -0.519 0.000 0.800 309 L CB 0.156 41.953 42.059 -0.437 0.000 0.987 309 L HN 0.160 nan 8.230 nan 0.000 0.470 310 S N -1.434 114.192 115.700 -0.123 0.000 2.537 310 S HA 0.430 4.905 4.470 0.009 0.000 0.270 310 S C -1.247 173.341 174.600 -0.020 0.000 1.142 310 S CA -0.084 58.075 58.200 -0.069 0.000 0.870 310 S CB 1.194 64.343 63.200 -0.085 0.000 1.112 310 S HN 0.436 nan 8.310 nan 0.000 0.466 311 D N 1.804 122.200 120.400 -0.008 0.000 2.538 311 D HA 0.138 4.783 4.640 0.009 0.000 0.231 311 D C 1.008 177.311 176.300 0.005 0.000 1.229 311 D CA -0.293 53.711 54.000 0.007 0.000 0.828 311 D CB 0.182 40.990 40.800 0.013 0.000 1.035 311 D HN 0.527 nan 8.370 nan 0.000 0.495 312 Q N 1.265 121.061 119.800 -0.006 0.000 2.172 312 Q HA -0.074 4.271 4.340 0.009 0.000 0.200 312 Q C -0.073 175.925 176.000 -0.002 0.000 0.964 312 Q CA 0.984 56.784 55.803 -0.005 0.000 0.855 312 Q CB 0.258 28.988 28.738 -0.014 0.000 0.918 312 Q HN 0.568 nan 8.270 nan 0.000 0.444 313 E N -0.777 119.419 120.200 -0.007 0.000 2.401 313 E HA 0.416 4.771 4.350 0.009 0.000 0.280 313 E C -2.881 173.717 176.600 -0.004 0.000 1.039 313 E CA -2.127 54.272 56.400 -0.002 0.000 0.814 313 E CB 0.832 30.521 29.700 -0.019 0.000 1.275 313 E HN -0.119 nan 8.360 nan 0.000 0.448 314 P HA 0.290 nan 4.420 nan 0.000 0.272 314 P C -0.893 176.382 177.300 -0.042 0.000 1.223 314 P CA -0.102 63.008 63.100 0.017 0.000 0.784 314 P CB 0.436 32.155 31.700 0.032 0.000 0.923 315 L N 2.330 123.528 121.223 -0.041 0.000 2.466 315 L HA 0.576 4.921 4.340 0.009 0.000 0.258 315 L C -0.345 176.451 176.870 -0.122 0.000 0.973 315 L CA -0.826 53.889 54.840 -0.207 0.000 0.826 315 L CB 2.272 44.048 42.059 -0.473 0.000 1.372 315 L HN 0.635 nan 8.230 nan 0.000 0.409 316 H N -0.017 118.845 119.070 -0.346 0.000 3.017 316 H HA 0.530 5.091 4.556 0.008 0.000 0.346 316 H C -1.599 173.602 175.328 -0.212 0.000 1.286 316 H CA -0.848 55.099 56.048 -0.169 0.000 1.120 316 H CB 1.556 31.271 29.762 -0.078 0.000 1.860 316 H HN 0.253 nan 8.280 nan 0.000 0.542 317 V N 1.678 121.529 119.914 -0.104 0.000 2.455 317 V HA 0.313 4.438 4.120 0.009 0.000 0.273 317 V C 1.318 177.425 176.094 0.022 0.000 1.045 317 V CA 0.492 62.717 62.300 -0.126 0.000 0.976 317 V CB 0.327 32.054 31.823 -0.161 0.000 0.993 317 V HN 0.977 nan 8.190 nan 0.000 0.475 318 A N 4.390 127.144 122.820 -0.111 0.000 1.924 318 A HA 0.207 4.532 4.320 0.009 0.000 0.211 318 A C 0.841 178.471 177.584 0.078 0.000 1.198 318 A CA 0.547 52.567 52.037 -0.029 0.000 0.657 318 A CB 0.199 19.110 19.000 -0.149 0.000 0.852 318 A HN 0.763 nan 8.150 nan 0.000 0.454 319 Q N -1.713 118.128 119.800 0.068 0.000 2.389 319 Q HA 0.655 5.000 4.340 0.009 0.000 0.277 319 Q C -1.515 174.571 176.000 0.143 0.000 1.082 319 Q CA -0.544 55.315 55.803 0.094 0.000 0.810 319 Q CB 2.390 31.146 28.738 0.030 0.000 1.374 319 Q HN 0.373 nan 8.270 nan 0.000 0.422 320 A N 2.425 125.348 122.820 0.173 0.000 2.446 320 A HA 0.699 5.024 4.320 0.009 0.000 0.282 320 A C -1.334 176.332 177.584 0.137 0.000 1.102 320 A CA -0.429 51.719 52.037 0.186 0.000 0.737 320 A CB 0.458 19.652 19.000 0.323 0.000 1.212 320 A HN 0.526 nan 8.150 nan 0.000 0.434 321 L N -0.806 120.485 121.223 0.112 0.000 2.403 321 L HA 0.894 5.239 4.340 0.009 0.000 0.253 321 L C -0.654 176.281 176.870 0.107 0.000 1.045 321 L CA -0.633 54.271 54.840 0.106 0.000 0.845 321 L CB 1.814 43.922 42.059 0.082 0.000 1.447 321 L HN 0.613 nan 8.230 nan 0.000 0.411 322 Q N 0.947 120.819 119.800 0.120 0.000 2.263 322 Q HA 0.431 4.776 4.340 0.009 0.000 0.266 322 Q C -1.673 174.398 176.000 0.119 0.000 1.002 322 Q CA -0.630 55.233 55.803 0.101 0.000 0.790 322 Q CB 2.119 30.898 28.738 0.068 0.000 1.272 322 Q HN 0.755 nan 8.270 nan 0.000 0.435 323 K N 2.987 123.452 120.400 0.107 0.000 2.213 323 K HA 0.620 4.945 4.320 0.009 0.000 0.270 323 K C -1.389 175.292 176.600 0.136 0.000 1.002 323 K CA -0.473 55.883 56.287 0.116 0.000 0.868 323 K CB 1.281 33.840 32.500 0.098 0.000 1.093 323 K HN 0.394 nan 8.250 nan 0.000 0.454 324 V N 3.617 123.625 119.914 0.156 0.000 2.841 324 V HA 0.470 4.595 4.120 0.009 0.000 0.310 324 V C -1.023 175.162 176.094 0.153 0.000 1.090 324 V CA -1.044 61.369 62.300 0.188 0.000 0.930 324 V CB 2.046 34.023 31.823 0.255 0.000 1.014 324 V HN 0.753 nan 8.190 nan 0.000 0.425 325 K N 3.699 124.170 120.400 0.117 0.000 2.427 325 K HA 0.753 5.078 4.320 0.009 0.000 0.252 325 K C -1.381 175.207 176.600 -0.019 0.000 0.931 325 K CA -0.562 55.762 56.287 0.062 0.000 0.793 325 K CB 3.126 35.652 32.500 0.044 0.000 1.211 325 K HN 0.658 nan 8.250 nan 0.000 0.426 326 I N 1.359 121.909 120.570 -0.033 0.000 2.686 326 I HA 0.297 4.472 4.170 0.009 0.000 0.295 326 I C -1.495 174.480 176.117 -0.236 0.000 1.114 326 I CA -0.478 60.731 61.300 -0.152 0.000 1.038 326 I CB 2.072 40.012 38.000 -0.099 0.000 1.238 326 I HN 0.648 nan 8.210 nan 0.000 0.420 327 E N 6.279 126.288 120.200 -0.318 0.000 2.241 327 E HA 0.473 4.828 4.350 0.009 0.000 0.263 327 E C -1.538 174.810 176.600 -0.421 0.000 0.882 327 E CA -0.706 55.474 56.400 -0.367 0.000 0.769 327 E CB 2.874 32.432 29.700 -0.238 0.000 1.185 327 E HN 0.254 nan 8.360 nan 0.000 0.415 328 V N 3.769 123.340 119.914 -0.573 0.000 2.448 328 V HA 0.392 4.517 4.120 0.009 0.000 0.295 328 V C -0.301 175.669 176.094 -0.207 0.000 1.025 328 V CA -0.688 61.389 62.300 -0.371 0.000 0.859 328 V CB 1.249 32.785 31.823 -0.478 0.000 0.988 328 V HN 0.767 nan 8.190 nan 0.000 0.431 329 N N 2.764 121.440 118.700 -0.039 0.000 3.278 329 N HA 0.356 5.101 4.740 0.009 0.000 0.307 329 N C 0.350 175.970 175.510 0.183 0.000 1.551 329 N CA -0.884 52.170 53.050 0.006 0.000 0.794 329 N CB 0.872 39.337 38.487 -0.036 0.000 1.770 329 N HN 0.249 nan 8.380 nan 0.000 0.612 330 E N -0.532 119.755 120.200 0.145 0.000 2.204 330 E HA 0.009 4.364 4.350 0.009 0.000 0.195 330 E C 0.797 177.675 176.600 0.463 0.000 0.990 330 E CA 1.505 58.086 56.400 0.302 0.000 0.821 330 E CB -0.105 29.709 29.700 0.191 0.000 0.750 330 E HN 0.534 nan 8.360 nan 0.000 0.477 331 S N -0.976 114.868 115.700 0.241 0.000 2.486 331 S HA 0.333 4.808 4.470 0.009 0.000 0.220 331 S C 0.773 175.287 174.600 -0.143 0.000 1.011 331 S CA 0.400 58.670 58.200 0.115 0.000 0.921 331 S CB 0.820 64.011 63.200 -0.015 0.000 0.785 331 S HN 0.417 nan 8.310 nan 0.000 0.517 332 G N 0.031 108.623 108.800 -0.348 0.000 2.452 332 G HA2 0.394 4.360 3.960 0.009 0.000 0.224 332 G HA3 0.394 4.360 3.960 0.009 0.000 0.224 332 G C -1.643 172.843 174.900 -0.690 0.000 1.208 332 G CA -0.438 44.061 45.100 -1.001 0.000 0.946 332 G HN 0.070 nan 8.290 nan 0.000 0.481 333 T N -0.126 114.050 114.554 -0.631 0.000 2.952 333 T HA 0.630 4.985 4.350 0.009 0.000 0.305 333 T C -1.129 173.229 174.700 -0.570 0.000 1.064 333 T CA -0.325 61.506 62.100 -0.448 0.000 1.008 333 T CB 2.020 70.758 68.868 -0.218 0.000 1.078 333 T HN 0.832 nan 8.240 nan 0.000 0.459 334 V N 1.977 121.617 119.914 -0.456 0.000 2.531 334 V HA 0.934 5.059 4.120 0.009 0.000 0.301 334 V C -0.367 175.476 176.094 -0.419 0.000 1.034 334 V CA -0.701 61.296 62.300 -0.504 0.000 0.865 334 V CB 1.482 33.095 31.823 -0.350 0.000 0.995 334 V HN 1.157 nan 8.190 nan 0.000 0.424 335 A N 3.305 125.839 122.820 -0.477 0.000 2.549 335 A HA 0.933 5.258 4.320 0.009 0.000 0.297 335 A C -0.722 176.690 177.584 -0.286 0.000 1.061 335 A CA -0.500 51.243 52.037 -0.489 0.000 0.690 335 A CB 2.267 20.684 19.000 -0.971 0.000 1.287 335 A HN 0.658 nan 8.150 nan 0.000 0.402 336 S N -0.192 115.479 115.700 -0.048 0.000 2.546 336 S HA 0.836 5.311 4.470 0.009 0.000 0.274 336 S C -0.802 174.004 174.600 0.343 0.000 1.121 336 S CA -0.350 57.999 58.200 0.248 0.000 0.887 336 S CB 1.809 65.144 63.200 0.224 0.000 1.094 336 S HN 1.402 nan 8.310 nan 0.000 0.474 337 S N 1.316 117.236 115.700 0.368 0.000 2.540 337 S HA 0.762 5.237 4.470 0.009 0.000 0.275 337 S C -1.424 173.275 174.600 0.165 0.000 1.123 337 S CA -0.425 57.929 58.200 0.257 0.000 0.907 337 S CB 1.716 65.045 63.200 0.214 0.000 1.081 337 S HN 0.550 nan 8.310 nan 0.000 0.476 338 S N 2.773 118.552 115.700 0.132 0.000 2.707 338 S HA 0.662 5.138 4.470 0.009 0.000 0.303 338 S C -1.037 173.622 174.600 0.098 0.000 1.132 338 S CA -0.372 57.907 58.200 0.132 0.000 1.046 338 S CB 1.077 64.366 63.200 0.148 0.000 1.004 338 S HN 0.758 nan 8.310 nan 0.000 0.483 339 T N 3.797 118.401 114.554 0.083 0.000 2.823 339 T HA 0.825 5.180 4.350 0.009 0.000 0.279 339 T C -0.482 174.265 174.700 0.078 0.000 0.998 339 T CA -0.522 61.612 62.100 0.057 0.000 0.994 339 T CB 1.523 70.397 68.868 0.010 0.000 0.960 339 T HN 0.845 nan 8.240 nan 0.000 0.448 340 A N 2.260 125.125 122.820 0.075 0.000 2.486 340 A HA 0.778 5.103 4.320 0.009 0.000 0.300 340 A C -1.249 176.373 177.584 0.063 0.000 1.048 340 A CA -0.666 51.411 52.037 0.068 0.000 0.696 340 A CB 1.600 20.638 19.000 0.064 0.000 1.278 340 A HN 0.646 nan 8.150 nan 0.000 0.405 341 V N 2.957 122.899 119.914 0.047 0.000 2.444 341 V HA 0.455 4.580 4.120 0.009 0.000 0.294 341 V C -0.676 175.413 176.094 -0.009 0.000 1.022 341 V CA -0.144 62.179 62.300 0.040 0.000 0.850 341 V CB 1.331 33.180 31.823 0.044 0.000 0.992 341 V HN 0.709 nan 8.190 nan 0.000 0.426 342 I N 5.257 125.804 120.570 -0.038 0.000 2.389 342 I HA 0.412 4.587 4.170 0.009 0.000 0.288 342 I C -0.417 175.579 176.117 -0.202 0.000 0.999 342 I CA -0.824 60.404 61.300 -0.119 0.000 1.129 342 I CB 2.043 39.979 38.000 -0.106 0.000 1.288 342 I HN 0.239 nan 8.210 nan 0.000 0.444 343 V N 5.944 125.674 119.914 -0.306 0.000 2.334 343 V HA 0.433 4.558 4.120 0.009 0.000 0.267 343 V C 0.188 176.007 176.094 -0.458 0.000 1.040 343 V CA 0.413 62.445 62.300 -0.447 0.000 0.866 343 V CB 0.688 32.160 31.823 -0.585 0.000 1.019 343 V HN 0.916 nan 8.190 nan 0.000 0.468 344 S N 3.427 118.854 115.700 -0.456 0.000 3.407 344 S HA 0.757 5.232 4.470 0.009 0.000 0.315 344 S C 0.394 174.763 174.600 -0.385 0.000 1.211 344 S CA 0.506 58.477 58.200 -0.382 0.000 1.148 344 S CB 1.134 64.152 63.200 -0.303 0.000 1.511 344 S HN 0.731 nan 8.310 nan 0.000 0.604 345 A N 0.204 122.892 122.820 -0.219 0.000 2.600 345 A HA 0.516 4.841 4.320 0.009 0.000 0.252 345 A C -0.058 177.502 177.584 -0.041 0.000 1.200 345 A CA -0.173 51.799 52.037 -0.108 0.000 0.981 345 A CB 0.204 19.175 19.000 -0.048 0.000 1.207 345 A HN 0.443 nan 8.150 nan 0.000 0.577 346 R N 1.054 121.517 120.500 -0.063 0.000 2.409 346 R HA 0.607 4.952 4.340 0.009 0.000 0.313 346 R C -0.175 176.111 176.300 -0.024 0.000 0.953 346 R CA -0.285 55.796 56.100 -0.031 0.000 0.849 346 R CB 1.512 31.791 30.300 -0.034 0.000 1.171 346 R HN 0.552 nan 8.270 nan 0.000 0.458 347 M N 0.893 120.491 119.600 -0.004 0.000 2.494 347 M HA 0.832 5.317 4.480 0.009 0.000 0.300 347 M C -0.356 175.942 176.300 -0.004 0.000 1.189 347 M CA -0.840 54.460 55.300 0.000 0.000 0.982 347 M CB 1.518 34.123 32.600 0.008 0.000 1.534 347 M HN 0.557 nan 8.290 nan 0.000 0.488 348 A N 0.736 123.554 122.820 -0.003 0.000 2.527 348 A HA 0.951 5.277 4.320 0.009 0.000 0.293 348 A C -2.594 174.988 177.584 -0.004 0.000 1.117 348 A CA -1.150 50.886 52.037 -0.002 0.000 0.723 348 A CB 0.676 19.678 19.000 0.004 0.000 1.313 348 A HN 0.806 nan 8.150 nan 0.000 0.411 349 P HA 0.499 nan 4.420 nan 0.000 0.279 349 P C -0.968 176.332 177.300 0.001 0.000 1.276 349 P CA -0.238 62.859 63.100 -0.005 0.000 0.801 349 P CB 1.106 32.804 31.700 -0.003 0.000 1.127 350 E N -0.548 119.650 120.200 -0.002 0.000 2.317 350 E HA 0.293 4.648 4.350 0.009 0.000 0.270 350 E C -1.280 175.323 176.600 0.004 0.000 0.885 350 E CA -0.662 55.740 56.400 0.004 0.000 0.760 350 E CB 2.058 31.757 29.700 -0.003 0.000 1.227 350 E HN 0.476 nan 8.360 nan 0.000 0.434 351 E N 4.251 124.458 120.200 0.013 0.000 2.179 351 E HA 0.423 4.778 4.350 0.009 0.000 0.275 351 E C -0.998 175.610 176.600 0.012 0.000 0.945 351 E CA -0.631 55.777 56.400 0.013 0.000 0.792 351 E CB 1.123 30.834 29.700 0.019 0.000 1.125 351 E HN 0.453 nan 8.360 nan 0.000 0.397 352 I N 4.975 125.549 120.570 0.006 0.000 2.474 352 I HA 0.359 4.534 4.170 0.009 0.000 0.294 352 I C -0.574 175.547 176.117 0.006 0.000 1.005 352 I CA -1.015 60.286 61.300 0.002 0.000 1.113 352 I CB 1.485 39.477 38.000 -0.013 0.000 1.289 352 I HN 0.439 nan 8.210 nan 0.000 0.436 353 I N 6.297 126.873 120.570 0.010 0.000 2.474 353 I HA 0.546 4.721 4.170 0.009 0.000 0.294 353 I C -0.283 175.838 176.117 0.007 0.000 1.005 353 I CA -0.599 60.710 61.300 0.014 0.000 1.113 353 I CB 1.779 39.792 38.000 0.022 0.000 1.289 353 I HN 0.539 nan 8.210 nan 0.000 0.436 354 M N 4.899 124.504 119.600 0.010 0.000 2.446 354 M HA 0.526 5.011 4.480 0.009 0.000 0.294 354 M C -1.638 174.673 176.300 0.018 0.000 1.158 354 M CA -0.542 54.762 55.300 0.007 0.000 0.899 354 M CB 3.219 35.820 32.600 0.001 0.000 1.687 354 M HN 0.374 nan 8.290 nan 0.000 0.455 355 D N 1.215 121.626 120.400 0.019 0.000 2.602 355 D HA 0.067 4.712 4.640 0.009 0.000 0.215 355 D C -1.381 174.938 176.300 0.033 0.000 1.148 355 D CA -0.638 53.382 54.000 0.033 0.000 0.764 355 D CB 2.057 42.887 40.800 0.050 0.000 2.364 355 D HN 0.617 nan 8.370 nan 0.000 0.484 356 R N 2.374 122.897 120.500 0.039 0.000 2.486 356 R HA 0.050 4.395 4.340 0.009 0.000 0.304 356 R C -2.309 174.027 176.300 0.060 0.000 0.913 356 R CA 0.222 56.350 56.100 0.045 0.000 1.124 356 R CB 0.310 30.638 30.300 0.047 0.000 0.891 356 R HN 0.169 nan 8.270 nan 0.000 0.410 357 P HA 0.371 nan 4.420 nan 0.000 0.308 357 P C -1.532 175.844 177.300 0.127 0.000 1.236 357 P CA -0.771 62.355 63.100 0.043 0.000 0.971 357 P CB 1.171 32.836 31.700 -0.060 0.000 1.399 358 F N -0.874 119.130 119.950 0.090 0.000 2.575 358 F HA 0.812 5.346 4.527 0.012 0.000 0.330 358 F C -1.073 174.821 175.800 0.155 0.000 1.056 358 F CA -1.520 56.544 58.000 0.106 0.000 0.964 358 F CB 0.567 39.626 39.000 0.098 0.000 1.258 358 F HN 0.123 nan 8.300 nan 0.000 0.484 359 L N 2.916 124.337 121.223 0.331 0.000 2.331 359 L HA 0.739 5.085 4.340 0.009 0.000 0.275 359 L C -1.147 175.983 176.870 0.433 0.000 1.022 359 L CA -0.796 54.178 54.840 0.223 0.000 0.812 359 L CB 1.472 43.637 42.059 0.177 0.000 1.257 359 L HN 0.737 nan 8.230 nan 0.000 0.435 360 F N 3.227 123.315 119.950 0.230 0.000 2.599 360 F HA 0.883 5.414 4.527 0.007 0.000 0.311 360 F C -1.668 174.278 175.800 0.242 0.000 1.076 360 F CA -1.118 57.067 58.000 0.308 0.000 0.937 360 F CB 1.479 40.707 39.000 0.379 0.000 1.282 360 F HN 0.211 nan 8.300 nan 0.000 0.460 361 V N 3.088 123.309 119.914 0.511 0.000 2.686 361 V HA 0.533 4.658 4.120 0.009 0.000 0.306 361 V C -0.993 175.432 176.094 0.552 0.000 1.065 361 V CA -0.846 61.661 62.300 0.344 0.000 0.894 361 V CB 1.762 33.726 31.823 0.234 0.000 1.004 361 V HN 0.833 nan 8.190 nan 0.000 0.424 362 V N 5.295 125.490 119.914 0.467 0.000 2.398 362 V HA 0.623 4.749 4.120 0.009 0.000 0.286 362 V C 0.042 176.290 176.094 0.258 0.000 1.026 362 V CA -0.489 62.066 62.300 0.425 0.000 0.868 362 V CB 1.570 33.604 31.823 0.352 0.000 0.982 362 V HN 0.873 nan 8.190 nan 0.000 0.443 363 R N 2.347 123.030 120.500 0.304 0.000 2.686 363 R HA 0.478 4.823 4.340 0.009 0.000 0.283 363 R C -1.202 175.229 176.300 0.218 0.000 0.978 363 R CA -0.860 55.376 56.100 0.226 0.000 0.897 363 R CB 1.644 32.121 30.300 0.294 0.000 1.192 363 R HN 0.889 nan 8.270 nan 0.000 0.457 364 H N 3.534 122.633 119.070 0.048 0.000 2.761 364 H HA 0.251 4.812 4.556 0.008 0.000 0.284 364 H C 0.180 175.568 175.328 0.099 0.000 1.105 364 H CA -0.244 55.836 56.048 0.053 0.000 1.352 364 H CB 0.802 30.551 29.762 -0.021 0.000 1.423 364 H HN 0.559 nan 8.280 nan 0.000 0.464 365 N N 5.370 124.010 118.700 -0.101 0.000 2.188 365 N HA -0.080 4.666 4.740 0.009 0.000 0.184 365 N C -0.995 174.466 175.510 -0.082 0.000 1.018 365 N CA 0.765 53.804 53.050 -0.019 0.000 0.858 365 N CB -0.890 37.645 38.487 0.080 0.000 0.989 365 N HN 0.598 nan 8.380 nan 0.000 0.426 366 P HA -0.054 nan 4.420 nan 0.000 0.219 366 P C 1.251 178.591 177.300 0.066 0.000 1.146 366 P CA 1.486 64.530 63.100 -0.093 0.000 0.808 366 P CB 0.002 31.635 31.700 -0.111 0.000 0.779 367 T N -7.286 107.364 114.554 0.159 0.000 2.959 367 T HA 0.377 4.732 4.350 0.009 0.000 0.254 367 T C 1.455 176.236 174.700 0.134 0.000 1.003 367 T CA 0.449 62.680 62.100 0.219 0.000 0.950 367 T CB -0.258 68.783 68.868 0.289 0.000 1.090 367 T HN 0.152 nan 8.240 nan 0.000 0.503 368 G N 1.683 110.549 108.800 0.111 0.000 2.147 368 G HA2 -0.232 3.733 3.960 0.009 0.000 0.244 368 G HA3 -0.232 3.733 3.960 0.009 0.000 0.244 368 G C 0.058 174.986 174.900 0.047 0.000 1.005 368 G CA 0.146 45.284 45.100 0.064 0.000 0.713 368 G HN 0.712 nan 8.290 nan 0.000 0.515 369 T N 0.627 115.225 114.554 0.073 0.000 2.814 369 T HA 0.424 4.779 4.350 0.009 0.000 0.297 369 T C 0.636 175.328 174.700 -0.013 0.000 0.956 369 T CA -0.118 61.984 62.100 0.004 0.000 1.123 369 T CB 2.122 70.932 68.868 -0.097 0.000 0.902 369 T HN 0.383 nan 8.240 nan 0.000 0.528 370 V N 6.324 126.221 119.914 -0.028 0.000 2.339 370 V HA 0.160 4.285 4.120 0.009 0.000 0.261 370 V C 1.163 177.210 176.094 -0.077 0.000 1.058 370 V CA -0.087 62.191 62.300 -0.037 0.000 0.897 370 V CB 0.325 32.114 31.823 -0.057 0.000 1.052 370 V HN 0.842 nan 8.190 nan 0.000 0.480 371 L N 4.530 125.677 121.223 -0.128 0.000 2.127 371 L HA 0.253 4.598 4.340 0.009 0.000 0.203 371 L C 0.112 176.625 176.870 -0.596 0.000 1.080 371 L CA 1.459 56.097 54.840 -0.337 0.000 0.768 371 L CB 0.002 41.861 42.059 -0.334 0.000 0.924 371 L HN 0.414 nan 8.230 nan 0.000 0.444 372 F N -0.900 119.045 119.950 -0.009 0.000 2.613 372 F HA 0.597 5.128 4.527 0.007 0.000 0.310 372 F C -0.204 175.574 175.800 -0.038 0.000 1.085 372 F CA -0.962 57.058 58.000 0.033 0.000 0.945 372 F CB 1.901 41.002 39.000 0.169 0.000 1.298 372 F HN -0.229 nan 8.300 nan 0.000 0.455 373 M N 0.961 120.536 119.600 -0.043 0.000 2.603 373 M HA 0.956 5.441 4.480 0.009 0.000 0.275 373 M C -1.188 174.594 176.300 -0.862 0.000 1.226 373 M CA -0.535 54.408 55.300 -0.595 0.000 0.870 373 M CB 2.503 34.729 32.600 -0.624 0.000 1.716 373 M HN 0.778 nan 8.290 nan 0.000 0.482 374 G N 0.799 108.808 108.800 -1.319 0.000 2.506 374 G HA2 0.524 4.489 3.960 0.009 0.000 0.292 374 G HA3 0.524 4.489 3.960 0.009 0.000 0.292 374 G C -2.503 172.197 174.900 -0.333 0.000 1.425 374 G CA -0.698 44.027 45.100 -0.625 0.000 0.788 374 G HN 0.767 nan 8.290 nan 0.000 0.490 375 Q N -0.312 119.484 119.800 -0.007 0.000 2.325 375 Q HA 0.608 4.953 4.340 0.009 0.000 0.270 375 Q C -1.006 174.923 176.000 -0.119 0.000 1.020 375 Q CA -0.722 55.054 55.803 -0.046 0.000 0.785 375 Q CB 2.923 31.685 28.738 0.039 0.000 1.259 375 Q HN 0.360 nan 8.270 nan 0.000 0.452 376 V N 2.980 122.643 119.914 -0.417 0.000 2.555 376 V HA 0.371 4.497 4.120 0.009 0.000 0.302 376 V C 0.040 175.888 176.094 -0.411 0.000 1.038 376 V CA -0.913 61.077 62.300 -0.518 0.000 0.887 376 V CB 1.881 33.190 31.823 -0.856 0.000 0.991 376 V HN 0.849 nan 8.190 nan 0.000 0.434 377 M N 3.246 122.740 119.600 -0.178 0.000 2.260 377 M HA 0.138 4.623 4.480 0.009 0.000 0.348 377 M C 0.174 176.618 176.300 0.241 0.000 1.342 377 M CA 0.605 55.928 55.300 0.038 0.000 1.040 377 M CB 0.224 32.882 32.600 0.097 0.000 1.810 377 M HN 0.782 nan 8.290 nan 0.000 0.453 378 E N 6.271 126.622 120.200 0.252 0.000 2.248 378 E HA 0.487 4.843 4.350 0.009 0.000 0.272 378 E C -2.190 174.422 176.600 0.019 0.000 1.008 378 E CA -1.868 54.694 56.400 0.269 0.000 0.856 378 E CB 1.052 30.886 29.700 0.223 0.000 1.120 378 E HN 0.495 nan 8.360 nan 0.000 0.397 379 P HA 0.000 nan 4.420 nan 0.000 0.216 379 P CA 0.000 62.623 63.100 -0.795 0.000 0.800 379 P CB 0.000 31.264 31.700 -0.727 0.000 0.726