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 2p9c_1_A DATA FIRST_RESID 6 DATA SEQUENCE LEKDKIKFLL VEGVHQKALE SLRAAGYTNI EFHKGALDDE QLKESIRDAH DATA SEQUENCE FIGLRSRTHL TEDVINAAEK LVAIGAFAIG TNQVDLDAAA KRGIPVFNAP DATA SEQUENCE FSNTRSVAEL VIGELLLLLR GVPEANAKAH RGVWNKLAAG SFEARGKKLG DATA SEQUENCE IIGYGHIGTQ LGILAESLGM YVYFYDIENK LPLGNATQVQ HLSDLLNMSD DATA SEQUENCE VVSLHVPENP STKNMMGAKE ISLMKPGSLL INASRGTVVD IPALADALAS DATA SEQUENCE KHLAGAAIDV FPTEPATNSD PFTSPLAEFD NVLLTPHIGG STQEAQENIG DATA SEQUENCE LEVAGKLIKY SDNGSTLSAV NFPEVSLPLH VGRRLMHIHE NRPGVLTALN DATA SEQUENCE KIFAEQGVNI AAQYLQTSAQ MGYVVIDIEA DEDVAEKALQ AMKAIPGTIR DATA SEQUENCE ARLLY 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 6 L HA 0.000 nan 4.340 nan 0.000 0.249 6 L C 0.000 176.872 176.870 0.004 0.000 1.165 6 L CA 0.000 54.832 54.840 -0.013 0.000 0.813 6 L CB 0.000 42.047 42.059 -0.019 0.000 0.961 7 E N 1.611 121.816 120.200 0.007 0.000 2.107 7 E HA -0.072 4.276 4.350 -0.003 0.000 0.191 7 E C 1.658 178.280 176.600 0.037 0.000 0.982 7 E CA 1.072 57.489 56.400 0.027 0.000 0.809 7 E CB -0.083 29.640 29.700 0.038 0.000 0.756 7 E HN 0.404 nan 8.360 nan 0.000 0.459 8 K N 0.849 121.247 120.400 -0.004 0.000 2.228 8 K HA -0.187 4.131 4.320 -0.003 0.000 0.205 8 K C 1.514 178.172 176.600 0.097 0.000 1.045 8 K CA 1.404 57.683 56.287 -0.014 0.000 0.931 8 K CB -0.038 32.270 32.500 -0.320 0.000 0.727 8 K HN 0.035 nan 8.250 nan 0.000 0.458 9 D N 0.362 120.799 120.400 0.062 0.000 2.149 9 D HA -0.083 4.555 4.640 -0.003 0.000 0.201 9 D C 1.585 177.963 176.300 0.130 0.000 0.972 9 D CA 0.886 54.941 54.000 0.092 0.000 0.835 9 D CB 0.108 40.940 40.800 0.054 0.000 0.966 9 D HN -0.073 nan 8.370 nan 0.000 0.476 10 K N 0.272 120.738 120.400 0.110 0.000 2.504 10 K HA 0.017 4.335 4.320 -0.003 0.000 0.195 10 K C 0.122 176.815 176.600 0.154 0.000 1.036 10 K CA 0.135 56.497 56.287 0.125 0.000 0.984 10 K CB 0.239 32.796 32.500 0.094 0.000 0.788 10 K HN 0.165 nan 8.250 nan 0.000 0.488 11 I N 2.379 123.043 120.570 0.157 0.000 2.291 11 I HA 0.085 4.253 4.170 -0.003 0.000 0.292 11 I C 0.404 176.750 176.117 0.383 0.000 1.064 11 I CA -0.373 60.995 61.300 0.114 0.000 1.269 11 I CB 0.639 38.789 38.000 0.249 0.000 1.418 11 I HN -0.133 nan 8.210 nan 0.000 0.485 12 K N 6.849 127.539 120.400 0.484 0.000 2.227 12 K HA 0.392 4.710 4.320 -0.003 0.000 0.280 12 K C -1.331 175.398 176.600 0.215 0.000 1.041 12 K CA -0.328 56.162 56.287 0.339 0.000 0.905 12 K CB 0.738 33.373 32.500 0.225 0.000 1.068 12 K HN 0.200 nan 8.250 nan 0.000 0.470 13 F N 4.473 124.558 119.950 0.226 0.000 2.427 13 F HA 0.291 4.816 4.527 -0.002 0.000 0.346 13 F C -0.197 175.688 175.800 0.141 0.000 1.120 13 F CA -1.028 57.093 58.000 0.201 0.000 1.033 13 F CB 1.255 40.330 39.000 0.125 0.000 1.126 13 F HN 0.338 nan 8.300 nan 0.000 0.462 14 L N 5.885 127.259 121.223 0.251 0.000 2.265 14 L HA 0.529 4.867 4.340 -0.003 0.000 0.289 14 L C -1.228 175.735 176.870 0.154 0.000 1.033 14 L CA -0.322 54.622 54.840 0.174 0.000 0.814 14 L CB 0.564 42.689 42.059 0.111 0.000 1.203 14 L HN 0.452 nan 8.230 nan 0.000 0.423 15 L N 6.752 128.045 121.223 0.116 0.000 2.319 15 L HA 0.634 4.972 4.340 -0.003 0.000 0.281 15 L C -0.280 176.532 176.870 -0.096 0.000 1.005 15 L CA -0.925 53.930 54.840 0.024 0.000 0.828 15 L CB 1.632 43.758 42.059 0.112 0.000 1.227 15 L HN 0.466 nan 8.230 nan 0.000 0.415 16 V N -0.663 119.190 119.914 -0.102 0.000 3.096 16 V HA 0.549 4.667 4.120 -0.003 0.000 0.319 16 V C 0.373 176.363 176.094 -0.174 0.000 1.103 16 V CA -0.584 61.635 62.300 -0.135 0.000 1.016 16 V CB 1.575 33.359 31.823 -0.064 0.000 1.090 16 V HN 0.893 nan 8.190 nan 0.000 0.449 17 E N 0.652 120.748 120.200 -0.173 0.000 3.070 17 E HA -0.172 4.176 4.350 -0.003 0.000 0.285 17 E C 0.865 177.401 176.600 -0.106 0.000 0.972 17 E CA 0.615 56.944 56.400 -0.117 0.000 0.915 17 E CB -1.531 28.134 29.700 -0.059 0.000 1.466 17 E HN 2.192 nan 8.360 nan 0.000 0.432 18 G N -0.045 108.635 108.800 -0.200 0.000 2.351 18 G HA2 -0.253 3.705 3.960 -0.003 0.000 0.297 18 G HA3 -0.253 3.705 3.960 -0.003 0.000 0.297 18 G C 0.485 175.450 174.900 0.108 0.000 1.054 18 G CA 0.402 45.499 45.100 -0.003 0.000 1.123 18 G HN 0.902 nan 8.290 nan 0.000 0.512 19 V N -1.715 118.269 119.914 0.116 0.000 3.766 19 V HA 0.496 4.613 4.120 -0.003 0.000 0.286 19 V C 1.262 177.434 176.094 0.130 0.000 1.055 19 V CA -0.700 61.633 62.300 0.056 0.000 1.060 19 V CB 0.828 32.489 31.823 -0.271 0.000 1.210 19 V HN 0.553 nan 8.190 nan 0.000 0.457 20 H N 0.595 119.694 119.070 0.047 0.000 2.582 20 H HA 0.193 4.747 4.556 -0.004 0.000 0.345 20 H C 1.038 176.342 175.328 -0.040 0.000 1.104 20 H CA -0.116 55.950 56.048 0.029 0.000 1.390 20 H CB 1.672 31.466 29.762 0.053 0.000 1.461 20 H HN 0.783 nan 8.280 nan 0.000 0.551 21 Q N 3.567 123.218 119.800 -0.248 0.000 2.242 21 Q HA -0.196 4.142 4.340 -0.003 0.000 0.211 21 Q C 1.706 177.703 176.000 -0.005 0.000 0.992 21 Q CA 1.406 57.092 55.803 -0.194 0.000 0.889 21 Q CB 0.042 28.638 28.738 -0.237 0.000 0.913 21 Q HN 0.651 nan 8.270 nan 0.000 0.422 22 K N -0.217 120.330 120.400 0.245 0.000 2.152 22 K HA -0.105 4.213 4.320 -0.003 0.000 0.206 22 K C 2.012 178.661 176.600 0.081 0.000 1.048 22 K CA 1.056 57.435 56.287 0.153 0.000 0.933 22 K CB -0.147 32.438 32.500 0.141 0.000 0.721 22 K HN 0.170 nan 8.250 nan 0.000 0.447 23 A N 1.520 124.409 122.820 0.114 0.000 1.877 23 A HA -0.165 4.153 4.320 -0.003 0.000 0.216 23 A C 2.161 179.733 177.584 -0.021 0.000 1.186 23 A CA 1.326 53.425 52.037 0.104 0.000 0.620 23 A CB -0.547 18.533 19.000 0.133 0.000 0.822 23 A HN 0.105 nan 8.150 nan 0.000 0.443 24 L N 0.195 121.367 121.223 -0.084 0.000 2.012 24 L HA -0.220 4.118 4.340 -0.003 0.000 0.210 24 L C 2.520 179.326 176.870 -0.107 0.000 1.073 24 L CA 2.162 56.921 54.840 -0.134 0.000 0.748 24 L CB -0.780 41.151 42.059 -0.213 0.000 0.891 24 L HN 0.475 nan 8.230 nan 0.000 0.431 25 E N -0.438 119.715 120.200 -0.079 0.000 2.058 25 E HA -0.228 4.120 4.350 -0.003 0.000 0.194 25 E C 2.147 178.715 176.600 -0.053 0.000 0.997 25 E CA 1.793 58.157 56.400 -0.060 0.000 0.801 25 E CB -0.311 29.367 29.700 -0.037 0.000 0.746 25 E HN 0.646 nan 8.360 nan 0.000 0.450 26 S N 0.192 115.865 115.700 -0.045 0.000 2.501 26 S HA 0.018 4.486 4.470 -0.003 0.000 0.220 26 S C 1.893 176.456 174.600 -0.062 0.000 0.997 26 S CA -0.042 58.132 58.200 -0.043 0.000 0.919 26 S CB 0.034 63.216 63.200 -0.031 0.000 0.778 26 S HN -0.002 nan 8.310 nan 0.000 0.523 27 L N 2.007 123.166 121.223 -0.107 0.000 2.056 27 L HA 0.184 4.522 4.340 -0.003 0.000 0.207 27 L C 2.762 179.587 176.870 -0.076 0.000 1.078 27 L CA 1.528 56.258 54.840 -0.184 0.000 0.749 27 L CB -0.628 41.211 42.059 -0.366 0.000 0.901 27 L HN 0.227 nan 8.230 nan 0.000 0.433 28 R N -1.175 119.277 120.500 -0.080 0.000 2.073 28 R HA -0.124 4.214 4.340 -0.003 0.000 0.234 28 R C 2.234 178.506 176.300 -0.048 0.000 1.134 28 R CA 1.324 57.391 56.100 -0.054 0.000 0.952 28 R CB -0.616 29.648 30.300 -0.061 0.000 0.850 28 R HN 0.402 nan 8.270 nan 0.000 0.433 29 A N 1.039 123.832 122.820 -0.045 0.000 1.978 29 A HA -0.142 4.176 4.320 -0.003 0.000 0.220 29 A C 2.233 179.789 177.584 -0.047 0.000 1.170 29 A CA 1.752 53.763 52.037 -0.044 0.000 0.636 29 A CB -0.561 18.417 19.000 -0.037 0.000 0.810 29 A HN 0.429 nan 8.150 nan 0.000 0.448 30 A N -1.864 120.942 122.820 -0.025 0.000 2.168 30 A HA 0.378 4.696 4.320 -0.003 0.000 0.215 30 A C 1.747 179.236 177.584 -0.158 0.000 1.152 30 A CA 1.352 53.380 52.037 -0.015 0.000 0.716 30 A CB -0.834 18.248 19.000 0.137 0.000 0.794 30 A HN 1.963 nan 8.150 nan 0.000 0.465 31 G N -2.645 106.053 108.800 -0.170 0.000 2.141 31 G HA2 -0.201 3.757 3.960 -0.003 0.000 0.195 31 G HA3 -0.201 3.757 3.960 -0.003 0.000 0.195 31 G C -0.410 174.257 174.900 -0.387 0.000 1.012 31 G CA -0.006 44.929 45.100 -0.274 0.000 0.696 31 G HN 0.376 nan 8.290 nan 0.000 0.508 32 Y N 0.924 121.174 120.300 -0.084 0.000 2.376 32 Y HA 0.522 5.070 4.550 -0.004 0.000 0.326 32 Y C 1.359 177.205 175.900 -0.090 0.000 0.970 32 Y CA -0.160 57.890 58.100 -0.083 0.000 1.248 32 Y CB 1.812 40.125 38.460 -0.246 0.000 1.117 32 Y HN 0.281 nan 8.280 nan 0.000 0.476 33 T N -2.407 112.214 114.554 0.111 0.000 3.040 33 T HA 0.109 4.457 4.350 -0.003 0.000 0.266 33 T C 0.306 175.071 174.700 0.108 0.000 1.005 33 T CA -0.307 61.832 62.100 0.065 0.000 0.906 33 T CB -0.024 68.858 68.868 0.025 0.000 1.082 33 T HN 0.283 nan 8.240 nan 0.000 0.531 34 N N 1.975 120.794 118.700 0.198 0.000 2.448 34 N HA 0.362 5.100 4.740 -0.003 0.000 0.250 34 N C -1.227 174.443 175.510 0.267 0.000 1.136 34 N CA -0.476 52.706 53.050 0.221 0.000 0.953 34 N CB -0.332 38.312 38.487 0.261 0.000 1.251 34 N HN 0.511 nan 8.380 nan 0.000 0.502 35 I N 1.655 122.332 120.570 0.178 0.000 2.548 35 I HA 0.168 4.336 4.170 -0.003 0.000 0.287 35 I C -0.378 175.814 176.117 0.124 0.000 1.103 35 I CA -0.637 60.766 61.300 0.172 0.000 1.049 35 I CB 2.174 40.231 38.000 0.095 0.000 1.232 35 I HN 0.347 nan 8.210 nan 0.000 0.429 36 E N 6.912 127.190 120.200 0.131 0.000 2.092 36 E HA 0.350 4.698 4.350 -0.003 0.000 0.271 36 E C -1.790 174.815 176.600 0.009 0.000 0.919 36 E CA -0.567 55.860 56.400 0.045 0.000 0.760 36 E CB 1.282 31.025 29.700 0.071 0.000 1.106 36 E HN 0.430 nan 8.360 nan 0.000 0.408 37 F N 5.399 125.192 119.950 -0.262 0.000 2.458 37 F HA 0.390 4.916 4.527 -0.003 0.000 0.336 37 F C -1.016 174.494 175.800 -0.482 0.000 1.114 37 F CA -0.551 57.296 58.000 -0.256 0.000 0.987 37 F CB 0.972 39.875 39.000 -0.161 0.000 1.130 37 F HN 0.477 nan 8.300 nan 0.000 0.458 38 H N 6.343 124.880 119.070 -0.889 0.000 2.547 38 H HA 0.224 4.778 4.556 -0.003 0.000 0.342 38 H C 0.286 174.915 175.328 -1.165 0.000 1.048 38 H CA -0.646 54.942 56.048 -0.767 0.000 1.204 38 H CB 2.138 31.683 29.762 -0.361 0.000 1.493 38 H HN 0.706 nan 8.280 nan 0.000 0.511 39 K N 1.374 121.387 120.400 -0.644 0.000 2.439 39 K HA 0.081 4.399 4.320 -0.003 0.000 0.197 39 K C 0.852 177.342 176.600 -0.183 0.000 1.041 39 K CA 0.416 56.503 56.287 -0.334 0.000 0.970 39 K CB 0.580 33.092 32.500 0.020 0.000 0.773 39 K HN 0.416 nan 8.250 nan 0.000 0.479 40 G N 0.647 109.354 108.800 -0.154 0.000 2.932 40 G HA2 0.590 4.548 3.960 -0.003 0.000 0.283 40 G HA3 0.590 4.548 3.960 -0.003 0.000 0.283 40 G C -1.329 173.500 174.900 -0.119 0.000 1.336 40 G CA -0.750 44.287 45.100 -0.104 0.000 1.056 40 G HN 0.261 nan 8.290 nan 0.000 0.522 41 A N -0.725 122.034 122.820 -0.101 0.000 2.340 41 A HA 0.677 4.995 4.320 -0.003 0.000 0.268 41 A C -0.054 177.452 177.584 -0.131 0.000 1.100 41 A CA -0.305 51.669 52.037 -0.104 0.000 0.803 41 A CB 0.338 19.287 19.000 -0.086 0.000 1.043 41 A HN 0.541 nan 8.150 nan 0.000 0.488 42 L N 1.569 122.710 121.223 -0.138 0.000 2.344 42 L HA 0.353 4.691 4.340 -0.003 0.000 0.272 42 L C -0.277 176.527 176.870 -0.110 0.000 1.035 42 L CA -0.980 53.763 54.840 -0.162 0.000 0.807 42 L CB 1.581 43.525 42.059 -0.191 0.000 1.237 42 L HN 0.878 nan 8.230 nan 0.000 0.442 43 D N -0.413 119.925 120.400 -0.103 0.000 2.253 43 D HA 0.077 4.715 4.640 -0.003 0.000 0.249 43 D C 0.298 176.562 176.300 -0.060 0.000 1.049 43 D CA -0.570 53.387 54.000 -0.073 0.000 0.929 43 D CB 0.970 41.731 40.800 -0.064 0.000 1.176 43 D HN 0.348 nan 8.370 nan 0.000 0.437 44 D N 0.518 120.892 120.400 -0.044 0.000 2.192 44 D HA -0.282 4.356 4.640 -0.003 0.000 0.189 44 D C 1.426 177.705 176.300 -0.035 0.000 1.007 44 D CA 1.731 55.712 54.000 -0.032 0.000 0.859 44 D CB -0.065 40.721 40.800 -0.023 0.000 0.936 44 D HN 0.762 nan 8.370 nan 0.000 0.447 45 E N -0.305 119.873 120.200 -0.037 0.000 2.085 45 E HA -0.242 4.106 4.350 -0.003 0.000 0.194 45 E C 1.962 178.537 176.600 -0.041 0.000 0.994 45 E CA 1.156 57.535 56.400 -0.034 0.000 0.801 45 E CB 0.101 29.782 29.700 -0.032 0.000 0.743 45 E HN 0.083 nan 8.360 nan 0.000 0.453 46 Q N 0.279 120.043 119.800 -0.059 0.000 2.163 46 Q HA -0.053 4.285 4.340 -0.003 0.000 0.198 46 Q C 2.062 178.018 176.000 -0.073 0.000 0.954 46 Q CA 0.596 56.354 55.803 -0.074 0.000 0.851 46 Q CB -0.203 28.464 28.738 -0.118 0.000 0.928 46 Q HN 0.297 nan 8.270 nan 0.000 0.459 47 L N 0.659 121.839 121.223 -0.072 0.000 1.989 47 L HA -0.167 4.171 4.340 -0.003 0.000 0.211 47 L C 1.768 178.617 176.870 -0.035 0.000 1.071 47 L CA 1.948 56.755 54.840 -0.054 0.000 0.749 47 L CB -0.305 41.727 42.059 -0.045 0.000 0.890 47 L HN 0.069 nan 8.230 nan 0.000 0.431 48 K N -0.845 119.536 120.400 -0.032 0.000 2.283 48 K HA -0.105 4.213 4.320 -0.003 0.000 0.202 48 K C 1.736 178.321 176.600 -0.025 0.000 1.048 48 K CA 0.919 57.190 56.287 -0.027 0.000 0.948 48 K CB 0.032 32.517 32.500 -0.024 0.000 0.742 48 K HN 0.380 nan 8.250 nan 0.000 0.458 49 E N -0.259 119.927 120.200 -0.024 0.000 2.340 49 E HA 0.045 4.393 4.350 -0.003 0.000 0.194 49 E C 1.487 178.082 176.600 -0.008 0.000 0.996 49 E CA 0.490 56.880 56.400 -0.017 0.000 0.869 49 E CB 0.532 30.224 29.700 -0.014 0.000 0.835 49 E HN 0.037 nan 8.360 nan 0.000 0.493 50 S N 0.595 116.292 115.700 -0.005 0.000 2.503 50 S HA 0.185 4.653 4.470 -0.003 0.000 0.217 50 S C 1.743 176.350 174.600 0.013 0.000 0.999 50 S CA -0.138 58.074 58.200 0.019 0.000 0.914 50 S CB 0.423 63.650 63.200 0.045 0.000 0.782 50 S HN 0.193 nan 8.310 nan 0.000 0.520 51 I N 1.340 121.905 120.570 -0.009 0.000 3.603 51 I HA 0.108 4.276 4.170 -0.003 0.000 0.297 51 I C 2.353 178.437 176.117 -0.054 0.000 1.269 51 I CA 0.182 61.467 61.300 -0.025 0.000 1.361 51 I CB -0.074 37.910 38.000 -0.027 0.000 1.063 51 I HN 0.127 nan 8.210 nan 0.000 0.448 52 R N 1.635 122.108 120.500 -0.046 0.000 2.139 52 R HA -0.213 4.125 4.340 -0.003 0.000 0.243 52 R C 0.635 176.882 176.300 -0.088 0.000 1.145 52 R CA 2.107 58.173 56.100 -0.057 0.000 0.976 52 R CB -0.208 30.070 30.300 -0.038 0.000 0.866 52 R HN 0.557 nan 8.270 nan 0.000 0.449 53 D N -2.004 118.339 120.400 -0.094 0.000 2.540 53 D HA 0.115 4.753 4.640 -0.003 0.000 0.229 53 D C -0.464 175.702 176.300 -0.223 0.000 1.250 53 D CA -0.244 53.667 54.000 -0.148 0.000 0.817 53 D CB 0.044 40.797 40.800 -0.078 0.000 1.060 53 D HN 0.120 nan 8.370 nan 0.000 0.508 54 A N 0.714 123.430 122.820 -0.173 0.000 2.409 54 A HA 0.225 4.543 4.320 -0.003 0.000 0.267 54 A C 0.758 178.163 177.584 -0.299 0.000 1.127 54 A CA -0.280 51.666 52.037 -0.151 0.000 0.795 54 A CB 0.201 19.164 19.000 -0.060 0.000 1.061 54 A HN 0.246 nan 8.150 nan 0.000 0.502 55 H N 1.731 120.663 119.070 -0.231 0.000 2.415 55 H HA 0.114 4.668 4.556 -0.003 0.000 0.297 55 H C -0.489 174.301 175.328 -0.896 0.000 1.048 55 H CA 1.348 57.098 56.048 -0.496 0.000 1.365 55 H CB 0.191 29.706 29.762 -0.411 0.000 1.421 55 H HN 0.662 nan 8.280 nan 0.000 0.533 56 F N -0.468 119.296 119.950 -0.311 0.000 2.599 56 F HA 0.476 5.001 4.527 -0.002 0.000 0.311 56 F C -0.383 175.347 175.800 -0.115 0.000 1.076 56 F CA -0.907 56.923 58.000 -0.284 0.000 0.937 56 F CB 2.655 41.305 39.000 -0.584 0.000 1.282 56 F HN -0.236 nan 8.300 nan 0.000 0.460 57 I N 1.028 121.716 120.570 0.196 0.000 2.569 57 I HA 0.735 4.903 4.170 -0.003 0.000 0.290 57 I C -0.911 175.355 176.117 0.249 0.000 1.088 57 I CA -0.360 61.045 61.300 0.176 0.000 1.047 57 I CB 1.748 39.800 38.000 0.087 0.000 1.237 57 I HN 0.683 nan 8.210 nan 0.000 0.421 58 G N 7.637 116.575 108.800 0.229 0.000 2.417 58 G HA2 0.638 4.596 3.960 -0.003 0.000 0.320 58 G HA3 0.638 4.596 3.960 -0.003 0.000 0.320 58 G C -1.188 173.768 174.900 0.092 0.000 1.204 58 G CA -0.464 44.784 45.100 0.247 0.000 0.923 58 G HN 0.620 nan 8.290 nan 0.000 0.466 59 L N -0.276 121.063 121.223 0.192 0.000 2.301 59 L HA 0.792 5.130 4.340 -0.003 0.000 0.249 59 L C 0.573 177.530 176.870 0.145 0.000 1.069 59 L CA -1.318 53.583 54.840 0.102 0.000 0.865 59 L CB 1.413 43.524 42.059 0.087 0.000 1.467 59 L HN 0.454 nan 8.230 nan 0.000 0.419 60 R N -0.458 120.094 120.500 0.087 0.000 1.889 60 R HA 0.374 4.712 4.340 -0.003 0.000 0.134 60 R C 0.957 177.298 176.300 0.069 0.000 2.065 60 R CA 0.722 56.876 56.100 0.090 0.000 1.705 60 R CB -0.066 30.268 30.300 0.056 0.000 1.387 60 R HN 0.882 nan 8.270 nan 0.000 0.484 61 S N -0.716 115.008 115.700 0.040 0.000 2.651 61 S HA 0.236 4.704 4.470 -0.003 0.000 0.259 61 S C 1.420 176.036 174.600 0.026 0.000 1.073 61 S CA -0.570 57.654 58.200 0.041 0.000 1.090 61 S CB 0.632 63.841 63.200 0.016 0.000 1.042 61 S HN 0.125 nan 8.310 nan 0.000 0.581 62 R N 1.250 121.740 120.500 -0.017 0.000 2.195 62 R HA 0.259 4.597 4.340 -0.003 0.000 0.197 62 R C -0.143 176.080 176.300 -0.128 0.000 0.990 62 R CA 0.646 56.685 56.100 -0.101 0.000 1.048 62 R CB -0.179 30.064 30.300 -0.094 0.000 0.997 62 R HN 0.246 nan 8.270 nan 0.000 0.502 63 T N 1.641 116.177 114.554 -0.030 0.000 2.867 63 T HA 0.001 4.349 4.350 -0.003 0.000 0.297 63 T C -0.241 174.540 174.700 0.136 0.000 0.989 63 T CA 0.446 62.552 62.100 0.010 0.000 1.159 63 T CB 0.223 69.106 68.868 0.024 0.000 0.928 63 T HN 0.216 nan 8.240 nan 0.000 0.538 64 H N 2.725 121.787 119.070 -0.014 0.000 2.690 64 H HA 0.244 4.798 4.556 -0.004 0.000 0.280 64 H C -0.406 174.914 175.328 -0.014 0.000 1.138 64 H CA -1.030 55.011 56.048 -0.012 0.000 1.241 64 H CB 0.579 30.334 29.762 -0.012 0.000 1.394 64 H HN 0.226 nan 8.280 nan 0.000 0.489 65 L N 4.242 125.506 121.223 0.068 0.000 2.448 65 L HA 0.049 4.387 4.340 -0.003 0.000 0.278 65 L C 0.643 177.498 176.870 -0.026 0.000 1.201 65 L CA 0.535 55.383 54.840 0.014 0.000 1.036 65 L CB 0.051 42.114 42.059 0.006 0.000 1.325 65 L HN 0.485 nan 8.230 nan 0.000 0.441 66 T N 0.854 115.398 114.554 -0.017 0.000 2.944 66 T HA 0.219 4.566 4.350 -0.003 0.000 0.284 66 T C 1.281 175.963 174.700 -0.030 0.000 1.010 66 T CA -0.128 61.951 62.100 -0.034 0.000 1.025 66 T CB 1.014 69.872 68.868 -0.016 0.000 1.079 66 T HN 0.756 nan 8.240 nan 0.000 0.516 67 E N 1.474 121.654 120.200 -0.033 0.000 2.209 67 E HA -0.182 4.166 4.350 -0.003 0.000 0.196 67 E C 1.004 177.589 176.600 -0.025 0.000 0.993 67 E CA 1.475 57.857 56.400 -0.030 0.000 0.819 67 E CB -0.100 29.583 29.700 -0.029 0.000 0.745 67 E HN 0.631 nan 8.360 nan 0.000 0.477 68 D N 1.299 121.687 120.400 -0.020 0.000 2.092 68 D HA -0.158 4.480 4.640 -0.003 0.000 0.193 68 D C 2.262 178.550 176.300 -0.019 0.000 0.994 68 D CA 1.857 55.846 54.000 -0.017 0.000 0.828 68 D CB -0.136 40.658 40.800 -0.011 0.000 0.963 68 D HN 0.168 nan 8.370 nan 0.000 0.450 69 V N 2.299 122.203 119.914 -0.017 0.000 2.295 69 V HA -0.213 3.905 4.120 -0.003 0.000 0.246 69 V C 2.622 178.699 176.094 -0.028 0.000 1.049 69 V CA 0.991 63.279 62.300 -0.019 0.000 1.024 69 V CB -0.380 31.437 31.823 -0.011 0.000 0.648 69 V HN 0.187 nan 8.190 nan 0.000 0.447 70 I N 1.013 121.564 120.570 -0.031 0.000 2.118 70 I HA -0.242 3.926 4.170 -0.003 0.000 0.241 70 I C 2.170 178.262 176.117 -0.042 0.000 1.070 70 I CA 1.847 63.123 61.300 -0.040 0.000 1.327 70 I CB -1.182 36.794 38.000 -0.040 0.000 1.034 70 I HN 0.411 nan 8.210 nan 0.000 0.405 71 N N 0.933 119.613 118.700 -0.035 0.000 2.457 71 N HA -0.005 4.733 4.740 -0.003 0.000 0.180 71 N C 1.785 177.275 175.510 -0.034 0.000 1.050 71 N CA 1.102 54.132 53.050 -0.033 0.000 0.906 71 N CB 0.008 38.479 38.487 -0.027 0.000 0.968 71 N HN 0.374 nan 8.380 nan 0.000 0.445 72 A N 0.987 123.787 122.820 -0.034 0.000 1.878 72 A HA 0.302 4.620 4.320 -0.003 0.000 0.213 72 A C 1.257 178.815 177.584 -0.044 0.000 1.192 72 A CA 0.524 52.541 52.037 -0.034 0.000 0.619 72 A CB -0.617 18.366 19.000 -0.029 0.000 0.837 72 A HN 0.201 nan 8.150 nan 0.000 0.446 73 A N 0.911 123.700 122.820 -0.051 0.000 2.509 73 A HA 0.148 4.465 4.320 -0.003 0.000 0.282 73 A C 0.829 178.362 177.584 -0.084 0.000 1.159 73 A CA 0.591 52.586 52.037 -0.070 0.000 0.863 73 A CB -0.565 18.390 19.000 -0.075 0.000 1.029 73 A HN 0.629 nan 8.150 nan 0.000 0.542 74 E N 1.834 121.982 120.200 -0.086 0.000 2.051 74 E HA -0.174 4.174 4.350 -0.003 0.000 0.192 74 E C 1.157 177.688 176.600 -0.115 0.000 0.991 74 E CA 1.563 57.912 56.400 -0.084 0.000 0.799 74 E CB -0.011 29.647 29.700 -0.071 0.000 0.748 74 E HN 0.737 nan 8.360 nan 0.000 0.449 75 K N 0.323 120.616 120.400 -0.179 0.000 2.437 75 K HA 0.143 4.461 4.320 -0.003 0.000 0.205 75 K C -0.569 175.861 176.600 -0.282 0.000 1.026 75 K CA -0.354 55.779 56.287 -0.256 0.000 1.153 75 K CB 0.414 32.639 32.500 -0.457 0.000 0.863 75 K HN -0.035 nan 8.250 nan 0.000 0.502 76 L N 0.726 121.820 121.223 -0.215 0.000 2.367 76 L HA 0.045 4.383 4.340 -0.003 0.000 0.275 76 L C 0.706 177.434 176.870 -0.237 0.000 1.129 76 L CA 0.386 55.081 54.840 -0.242 0.000 0.839 76 L CB 1.256 43.210 42.059 -0.175 0.000 1.133 76 L HN -0.085 nan 8.230 nan 0.000 0.453 77 V N 3.979 123.665 119.914 -0.381 0.000 3.048 77 V HA 0.555 4.673 4.120 -0.003 0.000 0.241 77 V C 0.532 176.483 176.094 -0.239 0.000 1.129 77 V CA 0.671 62.797 62.300 -0.291 0.000 1.128 77 V CB -0.064 31.513 31.823 -0.409 0.000 0.849 77 V HN 0.864 nan 8.190 nan 0.000 0.475 78 A N -0.265 122.382 122.820 -0.287 0.000 2.604 78 A HA 0.787 5.105 4.320 -0.003 0.000 0.295 78 A C -1.545 176.065 177.584 0.044 0.000 1.067 78 A CA -0.382 51.586 52.037 -0.116 0.000 0.683 78 A CB 1.439 20.492 19.000 0.089 0.000 1.281 78 A HN 0.132 nan 8.150 nan 0.000 0.407 79 I N 0.886 121.463 120.570 0.011 0.000 2.530 79 I HA 0.607 4.775 4.170 -0.003 0.000 0.297 79 I C 0.631 176.844 176.117 0.161 0.000 1.011 79 I CA -0.560 60.788 61.300 0.081 0.000 1.107 79 I CB 2.454 40.451 38.000 -0.005 0.000 1.285 79 I HN 0.781 nan 8.210 nan 0.000 0.436 80 G N 4.217 113.156 108.800 0.231 0.000 2.605 80 G HA2 0.627 4.585 3.960 -0.003 0.000 0.304 80 G HA3 0.627 4.585 3.960 -0.003 0.000 0.304 80 G C -0.633 174.401 174.900 0.223 0.000 1.333 80 G CA -0.478 44.746 45.100 0.206 0.000 0.973 80 G HN 0.743 nan 8.290 nan 0.000 0.507 81 A N 2.563 125.438 122.820 0.091 0.000 2.415 81 A HA 0.534 4.852 4.320 -0.003 0.000 0.309 81 A C -0.209 177.409 177.584 0.056 0.000 1.356 81 A CA -0.552 51.548 52.037 0.106 0.000 0.998 81 A CB -0.257 18.765 19.000 0.036 0.000 1.145 81 A HN 0.622 nan 8.150 nan 0.000 0.545 82 F N 2.345 122.317 119.950 0.037 0.000 2.727 82 F HA 0.402 4.926 4.527 -0.004 0.000 0.349 82 F C 1.099 176.910 175.800 0.017 0.000 1.172 82 F CA 1.213 59.232 58.000 0.033 0.000 1.355 82 F CB -0.442 38.590 39.000 0.054 0.000 1.546 82 F HN 0.716 nan 8.300 nan 0.000 0.596 83 A N -0.407 122.452 122.820 0.065 0.000 2.511 83 A HA 0.518 4.836 4.320 -0.003 0.000 0.293 83 A C 0.612 178.178 177.584 -0.030 0.000 1.098 83 A CA -0.721 51.335 52.037 0.031 0.000 0.643 83 A CB 0.381 19.409 19.000 0.046 0.000 1.302 83 A HN 0.120 nan 8.150 nan 0.000 0.446 84 I N 0.703 121.250 120.570 -0.039 0.000 2.333 84 I HA 0.041 4.209 4.170 -0.003 0.000 0.246 84 I C 1.695 177.778 176.117 -0.056 0.000 1.106 84 I CA 1.437 62.695 61.300 -0.071 0.000 1.411 84 I CB -0.541 37.429 38.000 -0.049 0.000 1.082 84 I HN 0.696 nan 8.210 nan 0.000 0.420 85 G N 0.314 109.101 108.800 -0.022 0.000 2.562 85 G HA2 0.365 4.323 3.960 -0.003 0.000 0.275 85 G HA3 0.365 4.323 3.960 -0.003 0.000 0.275 85 G C 0.416 175.311 174.900 -0.007 0.000 1.196 85 G CA 0.340 45.435 45.100 -0.007 0.000 0.908 85 G HN 0.303 nan 8.290 nan 0.000 0.524 86 T N -2.933 111.616 114.554 -0.009 0.000 3.403 86 T HA 0.155 4.503 4.350 -0.003 0.000 0.308 86 T C 0.998 175.686 174.700 -0.019 0.000 0.952 86 T CA -0.280 61.811 62.100 -0.014 0.000 0.970 86 T CB -0.401 68.445 68.868 -0.038 0.000 1.189 86 T HN 0.457 nan 8.240 nan 0.000 0.528 87 N N 1.967 120.663 118.700 -0.007 0.000 2.244 87 N HA -0.135 4.603 4.740 -0.003 0.000 0.183 87 N C 2.149 177.615 175.510 -0.073 0.000 1.016 87 N CA 1.190 54.225 53.050 -0.025 0.000 0.866 87 N CB 0.006 38.495 38.487 0.004 0.000 0.980 87 N HN 0.528 nan 8.380 nan 0.000 0.430 88 Q N 0.869 120.658 119.800 -0.018 0.000 2.364 88 Q HA -0.049 4.289 4.340 -0.003 0.000 0.209 88 Q C 0.440 176.373 176.000 -0.112 0.000 0.977 88 Q CA 0.850 56.630 55.803 -0.039 0.000 0.885 88 Q CB -0.277 28.612 28.738 0.253 0.000 0.941 88 Q HN 0.096 nan 8.270 nan 0.000 0.464 89 V N 2.632 122.505 119.914 -0.068 0.000 2.483 89 V HA 0.145 4.263 4.120 -0.003 0.000 0.295 89 V C -0.296 175.748 176.094 -0.083 0.000 1.035 89 V CA -0.861 61.403 62.300 -0.061 0.000 0.896 89 V CB 1.731 33.534 31.823 -0.033 0.000 0.986 89 V HN 0.106 nan 8.190 nan 0.000 0.447 90 D N 3.917 124.269 120.400 -0.080 0.000 2.435 90 D HA 0.194 4.832 4.640 -0.003 0.000 0.230 90 D C 1.058 177.322 176.300 -0.060 0.000 1.215 90 D CA 0.077 54.033 54.000 -0.073 0.000 0.947 90 D CB 0.801 41.561 40.800 -0.067 0.000 1.048 90 D HN 0.469 nan 8.370 nan 0.000 0.512 91 L N 2.331 123.519 121.223 -0.059 0.000 2.046 91 L HA -0.161 4.177 4.340 -0.003 0.000 0.208 91 L C 1.704 178.547 176.870 -0.044 0.000 1.077 91 L CA 0.876 55.683 54.840 -0.056 0.000 0.747 91 L CB -0.148 41.879 42.059 -0.054 0.000 0.896 91 L HN 0.282 nan 8.230 nan 0.000 0.432 92 D N 0.248 120.623 120.400 -0.042 0.000 2.144 92 D HA -0.134 4.504 4.640 -0.003 0.000 0.199 92 D C 2.220 178.499 176.300 -0.034 0.000 0.984 92 D CA 1.472 55.450 54.000 -0.036 0.000 0.834 92 D CB 0.046 40.825 40.800 -0.035 0.000 0.955 92 D HN 0.320 nan 8.370 nan 0.000 0.465 93 A N 1.142 123.940 122.820 -0.037 0.000 1.898 93 A HA 0.005 4.323 4.320 -0.003 0.000 0.216 93 A C 2.340 179.905 177.584 -0.033 0.000 1.181 93 A CA 1.982 53.999 52.037 -0.034 0.000 0.620 93 A CB -0.682 18.296 19.000 -0.037 0.000 0.819 93 A HN 0.219 nan 8.150 nan 0.000 0.442 94 A N -0.010 122.787 122.820 -0.039 0.000 1.908 94 A HA 0.099 4.417 4.320 -0.003 0.000 0.218 94 A C 2.489 180.071 177.584 -0.005 0.000 1.181 94 A CA 2.243 54.254 52.037 -0.044 0.000 0.627 94 A CB -0.996 17.961 19.000 -0.072 0.000 0.818 94 A HN 1.060 nan 8.150 nan 0.000 0.445 95 A N -0.658 122.172 122.820 0.017 0.000 1.898 95 A HA -0.121 4.197 4.320 -0.003 0.000 0.216 95 A C 2.024 179.612 177.584 0.007 0.000 1.181 95 A CA 2.159 54.231 52.037 0.058 0.000 0.620 95 A CB -0.373 18.624 19.000 -0.004 0.000 0.819 95 A HN 0.344 nan 8.150 nan 0.000 0.442 96 K N -0.166 120.224 120.400 -0.017 0.000 2.360 96 K HA -0.006 4.311 4.320 -0.003 0.000 0.201 96 K C 1.530 178.121 176.600 -0.016 0.000 1.046 96 K CA 1.021 57.293 56.287 -0.025 0.000 0.945 96 K CB -0.124 32.360 32.500 -0.025 0.000 0.750 96 K HN 0.460 nan 8.250 nan 0.000 0.464 97 R N -1.315 119.182 120.500 -0.006 0.000 2.509 97 R HA 0.183 4.521 4.340 -0.003 0.000 0.300 97 R C 0.190 176.497 176.300 0.012 0.000 0.985 97 R CA 0.515 56.610 56.100 -0.008 0.000 1.092 97 R CB 0.699 30.984 30.300 -0.024 0.000 1.237 97 R HN 0.249 nan 8.270 nan 0.000 0.546 98 G N 2.125 110.962 108.800 0.061 0.000 2.246 98 G HA2 -0.256 3.702 3.960 -0.003 0.000 0.273 98 G HA3 -0.256 3.702 3.960 -0.003 0.000 0.273 98 G C -0.020 174.931 174.900 0.085 0.000 1.055 98 G CA -0.035 45.157 45.100 0.152 0.000 0.851 98 G HN 0.294 nan 8.290 nan 0.000 0.500 99 I N 1.906 122.484 120.570 0.014 0.000 2.390 99 I HA 0.278 4.446 4.170 -0.003 0.000 0.283 99 I C -1.951 173.923 176.117 -0.405 0.000 1.016 99 I CA -2.498 58.677 61.300 -0.208 0.000 1.151 99 I CB 2.110 40.024 38.000 -0.143 0.000 1.293 99 I HN -0.078 nan 8.210 nan 0.000 0.458 100 P HA 0.075 nan 4.420 nan 0.000 0.271 100 P C -0.557 176.281 177.300 -0.770 0.000 1.216 100 P CA -0.035 62.317 63.100 -1.246 0.000 0.776 100 P CB 1.453 32.058 31.700 -1.825 0.000 0.881 101 V N 4.592 124.121 119.914 -0.642 0.000 2.398 101 V HA 0.342 4.460 4.120 -0.003 0.000 0.286 101 V C 0.154 175.891 176.094 -0.596 0.000 1.026 101 V CA -0.266 61.765 62.300 -0.448 0.000 0.868 101 V CB 0.359 32.044 31.823 -0.230 0.000 0.982 101 V HN 0.357 nan 8.190 nan 0.000 0.443 102 F N 4.582 124.430 119.950 -0.170 0.000 2.483 102 F HA 0.688 5.213 4.527 -0.003 0.000 0.329 102 F C 0.592 176.295 175.800 -0.162 0.000 1.064 102 F CA -0.424 57.477 58.000 -0.164 0.000 0.986 102 F CB 1.749 40.643 39.000 -0.176 0.000 1.218 102 F HN 0.687 nan 8.300 nan 0.000 0.484 103 N N 0.411 119.130 118.700 0.031 0.000 3.587 103 N HA 0.705 5.443 4.740 -0.003 0.000 0.339 103 N C -1.890 173.538 175.510 -0.136 0.000 1.636 103 N CA -0.854 52.145 53.050 -0.086 0.000 0.788 103 N CB 1.314 39.745 38.487 -0.093 0.000 2.205 103 N HN 0.569 nan 8.380 nan 0.000 0.600 104 A N 0.025 122.743 122.820 -0.170 0.000 3.156 104 A HA 0.484 4.802 4.320 -0.003 0.000 0.311 104 A C -2.139 175.290 177.584 -0.257 0.000 1.129 104 A CA -0.893 51.029 52.037 -0.191 0.000 0.809 104 A CB 0.683 19.588 19.000 -0.158 0.000 1.257 104 A HN 0.539 nan 8.150 nan 0.000 0.491 105 P HA -0.072 nan 4.420 nan 0.000 0.218 105 P C 0.334 177.230 177.300 -0.674 0.000 1.149 105 P CA 1.329 64.019 63.100 -0.684 0.000 0.817 105 P CB -0.058 30.922 31.700 -1.200 0.000 0.785 106 F N -1.463 118.378 119.950 -0.182 0.000 2.764 106 F HA 0.312 4.837 4.527 -0.004 0.000 0.310 106 F C 1.505 177.209 175.800 -0.160 0.000 1.124 106 F CA -0.225 57.618 58.000 -0.261 0.000 1.252 106 F CB -0.693 37.938 39.000 -0.616 0.000 1.010 106 F HN -0.270 nan 8.300 nan 0.000 0.518 107 S N 0.081 115.775 115.700 -0.010 0.000 2.650 107 S HA -0.010 4.458 4.470 -0.003 0.000 0.219 107 S C 1.406 176.007 174.600 0.002 0.000 0.960 107 S CA 0.461 58.658 58.200 -0.006 0.000 0.925 107 S CB -0.295 62.884 63.200 -0.035 0.000 0.775 107 S HN 0.301 nan 8.310 nan 0.000 0.525 108 N N 0.511 119.221 118.700 0.016 0.000 2.205 108 N HA 0.109 4.847 4.740 -0.003 0.000 0.201 108 N C 1.351 176.880 175.510 0.032 0.000 1.128 108 N CA 0.231 53.296 53.050 0.024 0.000 0.867 108 N CB -0.078 38.428 38.487 0.031 0.000 0.996 108 N HN 0.152 nan 8.380 nan 0.000 0.503 109 T N 0.426 115.003 114.554 0.038 0.000 2.620 109 T HA -0.268 4.080 4.350 -0.003 0.000 0.267 109 T C 1.971 176.671 174.700 0.001 0.000 1.044 109 T CA 1.660 63.776 62.100 0.027 0.000 1.161 109 T CB -0.062 68.828 68.868 0.037 0.000 0.862 109 T HN 0.174 nan 8.240 nan 0.000 0.438 110 R N 1.000 121.500 120.500 -0.000 0.000 2.092 110 R HA 0.048 4.386 4.340 -0.003 0.000 0.231 110 R C 2.618 178.918 176.300 0.001 0.000 1.119 110 R CA 1.506 57.602 56.100 -0.008 0.000 0.970 110 R CB -0.696 29.599 30.300 -0.009 0.000 0.864 110 R HN 0.271 nan 8.270 nan 0.000 0.440 111 S N -0.564 115.143 115.700 0.012 0.000 2.356 111 S HA -0.098 4.370 4.470 -0.003 0.000 0.223 111 S C 1.866 176.485 174.600 0.032 0.000 1.032 111 S CA 1.400 59.614 58.200 0.022 0.000 1.005 111 S CB -0.235 62.983 63.200 0.029 0.000 0.867 111 S HN 0.155 nan 8.310 nan 0.000 0.449 112 V N 1.992 121.929 119.914 0.038 0.000 2.358 112 V HA -0.173 3.945 4.120 -0.003 0.000 0.246 112 V C 2.615 178.733 176.094 0.040 0.000 1.047 112 V CA 1.608 63.944 62.300 0.060 0.000 1.035 112 V CB -1.233 30.644 31.823 0.089 0.000 0.658 112 V HN 0.527 nan 8.190 nan 0.000 0.452 113 A N -0.264 122.549 122.820 -0.012 0.000 1.877 113 A HA -0.242 4.076 4.320 -0.003 0.000 0.216 113 A C 2.189 179.774 177.584 0.002 0.000 1.186 113 A CA 1.848 53.865 52.037 -0.033 0.000 0.620 113 A CB -0.510 18.450 19.000 -0.067 0.000 0.822 113 A HN 0.596 nan 8.150 nan 0.000 0.443 114 E N -0.813 119.391 120.200 0.005 0.000 2.160 114 E HA -0.199 4.149 4.350 -0.003 0.000 0.195 114 E C 1.915 178.529 176.600 0.023 0.000 0.991 114 E CA 1.183 57.589 56.400 0.011 0.000 0.810 114 E CB -0.252 29.454 29.700 0.009 0.000 0.742 114 E HN 0.516 nan 8.360 nan 0.000 0.466 115 L N 0.582 121.825 121.223 0.033 0.000 2.027 115 L HA -0.145 4.193 4.340 -0.003 0.000 0.206 115 L C 2.259 179.157 176.870 0.047 0.000 1.074 115 L CA 1.341 56.205 54.840 0.041 0.000 0.745 115 L CB -0.397 41.692 42.059 0.050 0.000 0.898 115 L HN -0.092 nan 8.230 nan 0.000 0.433 116 V N 0.036 119.989 119.914 0.065 0.000 2.332 116 V HA -0.307 3.811 4.120 -0.003 0.000 0.248 116 V C 2.555 178.681 176.094 0.054 0.000 1.055 116 V CA 1.714 64.061 62.300 0.078 0.000 1.038 116 V CB -0.587 31.320 31.823 0.140 0.000 0.651 116 V HN 0.374 nan 8.190 nan 0.000 0.450 117 I N 0.962 121.556 120.570 0.040 0.000 2.099 117 I HA -0.209 3.959 4.170 -0.003 0.000 0.239 117 I C 2.704 178.836 176.117 0.025 0.000 1.066 117 I CA 2.276 63.592 61.300 0.028 0.000 1.324 117 I CB -1.918 36.092 38.000 0.016 0.000 1.037 117 I HN 0.408 nan 8.210 nan 0.000 0.401 118 G N 0.307 109.122 108.800 0.024 0.000 2.442 118 G HA2 -0.237 3.721 3.960 -0.003 0.000 0.219 118 G HA3 -0.237 3.721 3.960 -0.003 0.000 0.219 118 G C 1.590 176.505 174.900 0.024 0.000 1.141 118 G CA 0.589 45.702 45.100 0.022 0.000 0.763 118 G HN 0.473 nan 8.290 nan 0.000 0.554 119 E N 0.062 120.278 120.200 0.027 0.000 2.072 119 E HA -0.095 4.253 4.350 -0.003 0.000 0.191 119 E C 2.470 179.085 176.600 0.025 0.000 0.985 119 E CA 1.134 57.549 56.400 0.026 0.000 0.801 119 E CB -0.186 29.529 29.700 0.025 0.000 0.750 119 E HN 0.543 nan 8.360 nan 0.000 0.452 120 L N -0.834 120.406 121.223 0.028 0.000 2.291 120 L HA -0.024 4.314 4.340 -0.003 0.000 0.214 120 L C 1.929 178.815 176.870 0.028 0.000 1.120 120 L CA 1.307 56.163 54.840 0.027 0.000 0.799 120 L CB -0.589 41.488 42.059 0.030 0.000 0.925 120 L HN 0.006 nan 8.230 nan 0.000 0.446 121 L N -0.550 120.689 121.223 0.026 0.000 1.994 121 L HA -0.152 4.186 4.340 -0.003 0.000 0.208 121 L C 2.630 179.518 176.870 0.030 0.000 1.071 121 L CA 1.468 56.324 54.840 0.026 0.000 0.745 121 L CB -0.476 41.595 42.059 0.020 0.000 0.892 121 L HN 0.321 nan 8.230 nan 0.000 0.431 122 L N -0.881 120.358 121.223 0.026 0.000 2.109 122 L HA -0.187 4.151 4.340 -0.003 0.000 0.207 122 L C 2.496 179.385 176.870 0.031 0.000 1.086 122 L CA 0.904 55.759 54.840 0.025 0.000 0.760 122 L CB -0.439 41.634 42.059 0.022 0.000 0.910 122 L HN 0.270 nan 8.230 nan 0.000 0.437 123 L N -0.302 120.940 121.223 0.032 0.000 2.017 123 L HA -0.241 4.097 4.340 -0.003 0.000 0.208 123 L C 2.554 179.455 176.870 0.051 0.000 1.073 123 L CA 1.220 56.081 54.840 0.034 0.000 0.745 123 L CB -0.490 41.582 42.059 0.022 0.000 0.894 123 L HN 0.215 nan 8.230 nan 0.000 0.432 124 L N -0.575 120.683 121.223 0.059 0.000 2.081 124 L HA -0.220 4.118 4.340 -0.003 0.000 0.212 124 L C 2.520 179.474 176.870 0.140 0.000 1.080 124 L CA 1.077 55.981 54.840 0.107 0.000 0.754 124 L CB -0.381 41.738 42.059 0.100 0.000 0.893 124 L HN 0.251 nan 8.230 nan 0.000 0.433 125 R N -0.017 120.530 120.500 0.078 0.000 2.310 125 R HA 0.117 4.455 4.340 -0.003 0.000 0.202 125 R C 1.249 177.563 176.300 0.023 0.000 0.933 125 R CA 0.743 56.869 56.100 0.044 0.000 1.054 125 R CB -0.257 30.055 30.300 0.020 0.000 0.985 125 R HN 0.425 nan 8.270 nan 0.000 0.489 126 G N 0.946 109.769 108.800 0.038 0.000 2.225 126 G HA2 -0.271 3.687 3.960 -0.003 0.000 0.267 126 G HA3 -0.271 3.687 3.960 -0.003 0.000 0.267 126 G C 0.903 175.807 174.900 0.008 0.000 1.024 126 G CA 0.536 45.652 45.100 0.026 0.000 0.784 126 G HN 0.233 nan 8.290 nan 0.000 0.507 127 V N 0.344 120.262 119.914 0.008 0.000 2.379 127 V HA -0.100 4.018 4.120 -0.003 0.000 0.245 127 V C 0.896 176.999 176.094 0.015 0.000 1.044 127 V CA 2.446 64.746 62.300 -0.000 0.000 1.036 127 V CB -0.777 31.047 31.823 0.002 0.000 0.664 127 V HN 0.382 nan 8.190 nan 0.000 0.453 128 P HA -0.209 nan 4.420 nan 0.000 0.215 128 P C 1.699 179.027 177.300 0.045 0.000 1.157 128 P CA 1.685 64.808 63.100 0.038 0.000 0.868 128 P CB 0.065 31.791 31.700 0.043 0.000 0.788 129 E N -0.406 119.821 120.200 0.045 0.000 2.077 129 E HA -0.179 4.169 4.350 -0.003 0.000 0.193 129 E C 1.888 178.506 176.600 0.030 0.000 0.989 129 E CA 1.240 57.669 56.400 0.048 0.000 0.800 129 E CB -0.540 29.191 29.700 0.051 0.000 0.746 129 E HN 0.066 nan 8.360 nan 0.000 0.452 130 A N 0.988 123.811 122.820 0.004 0.000 1.929 130 A HA -0.197 4.121 4.320 -0.003 0.000 0.216 130 A C 1.970 179.549 177.584 -0.008 0.000 1.176 130 A CA 1.588 53.606 52.037 -0.032 0.000 0.628 130 A CB -0.795 18.155 19.000 -0.083 0.000 0.816 130 A HN 0.401 nan 8.150 nan 0.000 0.444 131 N N 0.385 119.105 118.700 0.032 0.000 2.166 131 N HA -0.090 4.648 4.740 -0.003 0.000 0.186 131 N C 1.659 177.284 175.510 0.193 0.000 1.019 131 N CA 1.839 54.959 53.050 0.116 0.000 0.856 131 N CB -0.312 38.249 38.487 0.122 0.000 0.993 131 N HN 0.337 nan 8.380 nan 0.000 0.426 132 A N 0.069 122.957 122.820 0.113 0.000 1.930 132 A HA -0.076 4.242 4.320 -0.003 0.000 0.217 132 A C 2.125 179.780 177.584 0.117 0.000 1.175 132 A CA 1.299 53.402 52.037 0.109 0.000 0.627 132 A CB -0.373 18.668 19.000 0.068 0.000 0.815 132 A HN 0.342 nan 8.150 nan 0.000 0.443 133 K N -0.416 120.032 120.400 0.080 0.000 2.116 133 K HA 0.111 4.429 4.320 -0.003 0.000 0.203 133 K C 2.249 178.891 176.600 0.071 0.000 1.052 133 K CA 0.875 57.201 56.287 0.065 0.000 0.952 133 K CB -0.225 32.297 32.500 0.036 0.000 0.729 133 K HN 0.417 nan 8.250 nan 0.000 0.446 134 A N 0.990 123.841 122.820 0.052 0.000 1.902 134 A HA -0.183 4.135 4.320 -0.003 0.000 0.217 134 A C 1.739 179.313 177.584 -0.017 0.000 1.181 134 A CA 1.312 53.355 52.037 0.011 0.000 0.623 134 A CB -0.712 18.251 19.000 -0.061 0.000 0.818 134 A HN 0.298 nan 8.150 nan 0.000 0.443 135 H N 0.062 119.157 119.070 0.041 0.000 2.489 135 H HA -0.086 4.468 4.556 -0.004 0.000 0.293 135 H C 1.440 176.792 175.328 0.040 0.000 1.066 135 H CA 1.649 57.720 56.048 0.039 0.000 1.305 135 H CB 0.072 29.852 29.762 0.030 0.000 1.386 135 H HN 0.684 nan 8.280 nan 0.000 0.551 136 R N -0.540 120.038 120.500 0.130 0.000 2.515 136 R HA 0.282 4.620 4.340 -0.003 0.000 0.294 136 R C 1.112 177.453 176.300 0.068 0.000 1.021 136 R CA 0.445 56.598 56.100 0.088 0.000 1.081 136 R CB 0.262 30.608 30.300 0.076 0.000 1.263 136 R HN 0.121 nan 8.270 nan 0.000 0.557 137 G N 0.434 109.273 108.800 0.065 0.000 2.159 137 G HA2 -0.284 3.674 3.960 -0.003 0.000 0.256 137 G HA3 -0.284 3.674 3.960 -0.003 0.000 0.256 137 G C -0.069 174.888 174.900 0.095 0.000 0.977 137 G CA 0.154 45.295 45.100 0.068 0.000 0.652 137 G HN 0.322 nan 8.290 nan 0.000 0.531 138 V N 1.904 121.879 119.914 0.101 0.000 2.407 138 V HA 0.639 4.756 4.120 -0.003 0.000 0.278 138 V C 0.117 176.319 176.094 0.180 0.000 1.037 138 V CA -1.102 61.273 62.300 0.124 0.000 0.900 138 V CB 1.149 33.023 31.823 0.085 0.000 0.983 138 V HN 0.344 nan 8.190 nan 0.000 0.459 139 W N 7.387 128.687 121.300 0.001 0.000 2.316 139 W HA 0.416 5.074 4.660 -0.003 0.000 0.308 139 W C -0.423 176.098 176.519 0.004 0.000 1.106 139 W CA -0.584 56.760 57.345 -0.001 0.000 1.262 139 W CB 1.407 30.864 29.460 -0.006 0.000 1.233 139 W HN 0.711 nan 8.180 nan 0.000 0.447 140 N N 5.315 123.919 118.700 -0.159 0.000 2.813 140 N HA 0.068 4.806 4.740 -0.003 0.000 0.282 140 N C -0.905 174.469 175.510 -0.226 0.000 1.748 140 N CA -0.137 52.848 53.050 -0.108 0.000 0.860 140 N CB 0.407 38.857 38.487 -0.062 0.000 1.204 140 N HN 0.313 nan 8.380 nan 0.000 0.490 141 K N 2.272 122.534 120.400 -0.231 0.000 2.310 141 K HA 0.332 4.650 4.320 -0.003 0.000 0.290 141 K C -1.299 175.264 176.600 -0.062 0.000 1.077 141 K CA -0.316 55.851 56.287 -0.199 0.000 0.922 141 K CB 0.275 32.750 32.500 -0.043 0.000 1.057 141 K HN 0.393 nan 8.250 nan 0.000 0.479 142 L N 3.671 124.845 121.223 -0.082 0.000 2.641 142 L HA 0.338 4.675 4.340 -0.003 0.000 0.261 142 L C -0.497 176.329 176.870 -0.074 0.000 0.926 142 L CA 0.187 54.995 54.840 -0.054 0.000 0.917 142 L CB 1.829 43.864 42.059 -0.040 0.000 1.361 142 L HN 0.598 nan 8.230 nan 0.000 0.417 143 A N 3.861 126.636 122.820 -0.074 0.000 2.115 143 A HA 0.695 5.013 4.320 -0.003 0.000 0.211 143 A C 1.051 178.543 177.584 -0.152 0.000 1.169 143 A CA 0.543 52.516 52.037 -0.106 0.000 0.787 143 A CB -0.167 18.778 19.000 -0.091 0.000 0.858 143 A HN 1.014 nan 8.150 nan 0.000 0.474 144 A N -0.485 122.265 122.820 -0.116 0.000 2.546 144 A HA 0.421 4.739 4.320 -0.003 0.000 0.243 144 A C 1.672 179.168 177.584 -0.146 0.000 1.063 144 A CA 0.748 52.710 52.037 -0.126 0.000 0.757 144 A CB -0.773 18.192 19.000 -0.059 0.000 0.991 144 A HN 1.996 nan 8.150 nan 0.000 0.503 145 G N 1.887 110.548 108.800 -0.232 0.000 2.205 145 G HA2 -0.230 3.728 3.960 -0.003 0.000 0.261 145 G HA3 -0.230 3.728 3.960 -0.003 0.000 0.261 145 G C 0.496 175.276 174.900 -0.201 0.000 0.980 145 G CA 0.499 45.527 45.100 -0.120 0.000 0.632 145 G HN 1.273 nan 8.290 nan 0.000 0.533 146 S N 0.354 115.845 115.700 -0.349 0.000 2.525 146 S HA 0.777 5.245 4.470 -0.003 0.000 0.278 146 S C -0.539 173.783 174.600 -0.462 0.000 1.234 146 S CA -0.182 57.876 58.200 -0.236 0.000 1.058 146 S CB 0.885 64.000 63.200 -0.140 0.000 0.983 146 S HN 0.337 nan 8.310 nan 0.000 0.495 147 F N 0.755 120.702 119.950 -0.005 0.000 2.576 147 F HA 0.389 4.914 4.527 -0.004 0.000 0.313 147 F C 0.614 176.411 175.800 -0.004 0.000 1.078 147 F CA -1.058 56.941 58.000 -0.002 0.000 0.921 147 F CB 1.273 40.274 39.000 0.002 0.000 1.232 147 F HN 0.451 nan 8.300 nan 0.000 0.459 148 E N 0.407 120.713 120.200 0.178 0.000 2.392 148 E HA 0.380 4.728 4.350 -0.003 0.000 0.259 148 E C 0.340 176.996 176.600 0.093 0.000 1.108 148 E CA 0.024 56.483 56.400 0.098 0.000 0.916 148 E CB 1.186 30.923 29.700 0.061 0.000 0.989 148 E HN 0.746 nan 8.360 nan 0.000 0.432 149 A N 3.054 125.902 122.820 0.046 0.000 1.935 149 A HA -0.056 4.262 4.320 -0.003 0.000 0.214 149 A C 1.285 178.861 177.584 -0.014 0.000 1.178 149 A CA 0.373 52.422 52.037 0.021 0.000 0.640 149 A CB 0.021 19.027 19.000 0.010 0.000 0.825 149 A HN 0.487 nan 8.150 nan 0.000 0.447 150 R N 0.287 120.771 120.500 -0.026 0.000 2.502 150 R HA 0.199 4.537 4.340 -0.003 0.000 0.292 150 R C 0.968 177.220 176.300 -0.080 0.000 0.998 150 R CA 1.251 57.306 56.100 -0.074 0.000 1.056 150 R CB -0.423 29.846 30.300 -0.052 0.000 0.939 150 R HN 0.944 nan 8.270 nan 0.000 0.411 151 G N 3.541 112.224 108.800 -0.195 0.000 2.213 151 G HA2 -0.201 3.757 3.960 -0.003 0.000 0.226 151 G HA3 -0.201 3.757 3.960 -0.003 0.000 0.226 151 G C -0.188 174.713 174.900 0.001 0.000 0.992 151 G CA -0.065 44.947 45.100 -0.146 0.000 0.632 151 G HN 0.538 nan 8.290 nan 0.000 0.511 152 K N 0.616 121.006 120.400 -0.018 0.000 2.109 152 K HA 0.578 4.896 4.320 -0.003 0.000 0.243 152 K C 0.180 176.857 176.600 0.128 0.000 1.006 152 K CA -0.388 55.934 56.287 0.059 0.000 0.917 152 K CB 0.850 33.351 32.500 0.002 0.000 1.081 152 K HN 0.294 nan 8.250 nan 0.000 0.468 153 K N 1.510 122.014 120.400 0.174 0.000 2.265 153 K HA 0.302 4.620 4.320 -0.003 0.000 0.267 153 K C -0.476 176.238 176.600 0.190 0.000 0.994 153 K CA -0.854 55.598 56.287 0.275 0.000 0.860 153 K CB 1.132 33.835 32.500 0.338 0.000 1.099 153 K HN 0.250 nan 8.250 nan 0.000 0.448 154 L N 1.609 122.943 121.223 0.185 0.000 2.275 154 L HA 0.457 4.795 4.340 -0.003 0.000 0.288 154 L C -0.134 176.869 176.870 0.222 0.000 1.046 154 L CA 0.233 55.165 54.840 0.154 0.000 0.805 154 L CB 1.311 43.437 42.059 0.112 0.000 1.193 154 L HN 0.705 nan 8.230 nan 0.000 0.426 155 G N 6.631 115.544 108.800 0.188 0.000 2.522 155 G HA2 0.533 4.491 3.960 -0.003 0.000 0.318 155 G HA3 0.533 4.491 3.960 -0.003 0.000 0.318 155 G C -0.677 174.345 174.900 0.205 0.000 1.192 155 G CA -0.446 44.778 45.100 0.208 0.000 0.988 155 G HN 0.618 nan 8.290 nan 0.000 0.480 156 I N 2.808 123.542 120.570 0.273 0.000 2.315 156 I HA 0.283 4.451 4.170 -0.003 0.000 0.291 156 I C -0.086 176.233 176.117 0.337 0.000 1.006 156 I CA -0.473 61.014 61.300 0.312 0.000 1.265 156 I CB 1.637 39.853 38.000 0.359 0.000 1.387 156 I HN 0.262 nan 8.210 nan 0.000 0.475 157 I N 6.283 127.022 120.570 0.281 0.000 2.306 157 I HA 0.478 4.646 4.170 -0.003 0.000 0.288 157 I C 0.495 176.784 176.117 0.287 0.000 1.036 157 I CA -0.187 61.291 61.300 0.297 0.000 1.221 157 I CB 0.894 39.019 38.000 0.207 0.000 1.385 157 I HN 0.845 nan 8.210 nan 0.000 0.472 158 G N 4.910 113.897 108.800 0.312 0.000 3.035 158 G HA2 -0.240 3.718 3.960 -0.003 0.000 0.674 158 G HA3 -0.240 3.718 3.960 -0.003 0.000 0.674 158 G C -1.068 173.974 174.900 0.237 0.000 1.159 158 G CA -0.863 44.383 45.100 0.244 0.000 1.098 158 G HN 0.534 nan 8.290 nan 0.000 0.473 159 Y N 3.184 123.480 120.300 -0.007 0.000 2.888 159 Y HA 0.545 5.092 4.550 -0.003 0.000 0.341 159 Y C 1.033 176.811 175.900 -0.205 0.000 1.241 159 Y CA 0.236 58.213 58.100 -0.205 0.000 1.440 159 Y CB 0.116 38.239 38.460 -0.561 0.000 1.517 159 Y HN 0.713 nan 8.280 nan 0.000 0.518 160 G N 0.512 109.182 108.800 -0.217 0.000 3.019 160 G HA2 0.052 4.010 3.960 -0.003 0.000 0.152 160 G HA3 0.052 4.010 3.960 -0.003 0.000 0.152 160 G C 0.341 175.010 174.900 -0.385 0.000 1.320 160 G CA -0.280 44.667 45.100 -0.256 0.000 1.013 160 G HN 0.546 nan 8.290 nan 0.000 0.593 161 H N -0.702 118.201 119.070 -0.279 0.000 2.289 161 H HA -0.073 4.480 4.556 -0.004 0.000 0.296 161 H C 2.488 177.675 175.328 -0.236 0.000 1.091 161 H CA 2.257 58.142 56.048 -0.272 0.000 1.274 161 H CB -0.054 29.561 29.762 -0.244 0.000 1.364 161 H HN 0.234 nan 8.280 nan 0.000 0.490 162 I N -0.591 119.940 120.570 -0.065 0.000 2.400 162 I HA -0.072 4.096 4.170 -0.003 0.000 0.248 162 I C 2.755 178.663 176.117 -0.348 0.000 1.109 162 I CA 0.816 62.004 61.300 -0.186 0.000 1.425 162 I CB -0.455 37.438 38.000 -0.179 0.000 1.094 162 I HN 0.347 nan 8.210 nan 0.000 0.425 163 G N 1.211 109.817 108.800 -0.324 0.000 2.553 163 G HA2 -0.370 3.588 3.960 -0.003 0.000 0.218 163 G HA3 -0.370 3.588 3.960 -0.003 0.000 0.218 163 G C 1.774 176.460 174.900 -0.357 0.000 1.195 163 G CA 2.131 47.073 45.100 -0.263 0.000 0.779 163 G HN 0.444 nan 8.290 nan 0.000 0.577 164 T N -0.713 113.398 114.554 -0.739 0.000 2.652 164 T HA -0.238 4.110 4.350 -0.003 0.000 0.267 164 T C 2.311 176.808 174.700 -0.339 0.000 1.039 164 T CA 2.045 63.643 62.100 -0.837 0.000 1.153 164 T CB -0.498 67.790 68.868 -0.966 0.000 0.863 164 T HN 0.430 nan 8.240 nan 0.000 0.428 165 Q N 0.909 120.544 119.800 -0.275 0.000 2.124 165 Q HA -0.040 4.298 4.340 -0.003 0.000 0.202 165 Q C 2.219 178.148 176.000 -0.119 0.000 0.977 165 Q CA 1.452 57.158 55.803 -0.162 0.000 0.850 165 Q CB -0.697 27.962 28.738 -0.130 0.000 0.901 165 Q HN 0.563 nan 8.270 nan 0.000 0.429 166 L N 0.086 121.224 121.223 -0.142 0.000 2.046 166 L HA 0.061 4.399 4.340 -0.003 0.000 0.208 166 L C 2.159 179.014 176.870 -0.026 0.000 1.077 166 L CA 2.476 57.263 54.840 -0.088 0.000 0.747 166 L CB -1.159 40.823 42.059 -0.129 0.000 0.896 166 L HN 0.316 nan 8.230 nan 0.000 0.432 167 G N -0.190 108.611 108.800 0.001 0.000 2.442 167 G HA2 -0.252 3.706 3.960 -0.003 0.000 0.219 167 G HA3 -0.252 3.706 3.960 -0.003 0.000 0.219 167 G C 1.600 176.517 174.900 0.029 0.000 1.141 167 G CA 1.246 46.388 45.100 0.069 0.000 0.763 167 G HN 0.504 nan 8.290 nan 0.000 0.554 168 I N 0.235 120.802 120.570 -0.005 0.000 2.142 168 I HA -0.136 4.032 4.170 -0.003 0.000 0.240 168 I C 2.739 178.846 176.117 -0.016 0.000 1.078 168 I CA 0.739 62.031 61.300 -0.014 0.000 1.343 168 I CB -0.265 37.714 38.000 -0.035 0.000 1.046 168 I HN 0.108 nan 8.210 nan 0.000 0.405 169 L N 0.507 121.717 121.223 -0.022 0.000 2.042 169 L HA -0.242 4.096 4.340 -0.003 0.000 0.210 169 L C 2.789 179.651 176.870 -0.014 0.000 1.076 169 L CA 1.467 56.296 54.840 -0.018 0.000 0.749 169 L CB -0.712 41.337 42.059 -0.018 0.000 0.893 169 L HN 0.285 nan 8.230 nan 0.000 0.432 170 A N -0.673 122.142 122.820 -0.008 0.000 2.015 170 A HA -0.198 4.120 4.320 -0.003 0.000 0.219 170 A C 2.164 179.729 177.584 -0.032 0.000 1.163 170 A CA 1.409 53.441 52.037 -0.009 0.000 0.646 170 A CB -0.330 18.677 19.000 0.012 0.000 0.806 170 A HN 0.434 nan 8.150 nan 0.000 0.448 171 E N -0.269 119.915 120.200 -0.026 0.000 2.107 171 E HA -0.073 4.275 4.350 -0.003 0.000 0.191 171 E C 2.033 178.608 176.600 -0.043 0.000 0.982 171 E CA 0.973 57.349 56.400 -0.040 0.000 0.809 171 E CB -0.024 29.665 29.700 -0.019 0.000 0.756 171 E HN 0.568 nan 8.360 nan 0.000 0.459 172 S N 0.684 116.366 115.700 -0.030 0.000 2.442 172 S HA -0.047 4.421 4.470 -0.003 0.000 0.236 172 S C 1.680 176.260 174.600 -0.034 0.000 1.007 172 S CA 0.566 58.749 58.200 -0.028 0.000 0.965 172 S CB 0.046 63.233 63.200 -0.021 0.000 0.773 172 S HN 0.233 nan 8.310 nan 0.000 0.504 173 L N 0.261 121.460 121.223 -0.040 0.000 2.592 173 L HA 0.196 4.534 4.340 -0.003 0.000 0.227 173 L C 1.589 178.416 176.870 -0.071 0.000 1.127 173 L CA 0.402 55.216 54.840 -0.043 0.000 0.884 173 L CB -0.111 41.929 42.059 -0.032 0.000 1.065 173 L HN 0.503 nan 8.230 nan 0.000 0.457 174 G N -0.037 108.704 108.800 -0.099 0.000 2.141 174 G HA2 -0.271 3.687 3.960 -0.003 0.000 0.242 174 G HA3 -0.271 3.687 3.960 -0.003 0.000 0.242 174 G C 0.270 174.996 174.900 -0.289 0.000 0.982 174 G CA -0.072 44.929 45.100 -0.165 0.000 0.662 174 G HN 0.219 nan 8.290 nan 0.000 0.527 175 M N -0.271 119.198 119.600 -0.219 0.000 2.247 175 M HA 0.542 5.020 4.480 -0.003 0.000 0.326 175 M C 0.069 176.195 176.300 -0.290 0.000 1.134 175 M CA -0.538 54.612 55.300 -0.250 0.000 1.136 175 M CB 0.578 33.124 32.600 -0.089 0.000 1.454 175 M HN 0.075 nan 8.290 nan 0.000 0.467 176 Y N 0.478 120.753 120.300 -0.041 0.000 2.327 176 Y HA 0.379 4.927 4.550 -0.002 0.000 0.336 176 Y C -0.071 175.682 175.900 -0.245 0.000 1.035 176 Y CA -0.808 57.202 58.100 -0.150 0.000 1.165 176 Y CB 0.543 38.928 38.460 -0.124 0.000 1.181 176 Y HN 0.247 nan 8.280 nan 0.000 0.494 177 V N 5.665 125.475 119.914 -0.173 0.000 2.333 177 V HA 0.287 4.404 4.120 -0.003 0.000 0.274 177 V C -0.823 175.104 176.094 -0.278 0.000 1.028 177 V CA -0.970 61.257 62.300 -0.121 0.000 0.851 177 V CB -0.378 31.455 31.823 0.016 0.000 1.000 177 V HN 0.554 nan 8.190 nan 0.000 0.456 178 Y N 5.456 125.832 120.300 0.126 0.000 2.468 178 Y HA 0.787 5.336 4.550 -0.002 0.000 0.342 178 Y C -0.111 175.872 175.900 0.139 0.000 1.021 178 Y CA -1.095 57.035 58.100 0.051 0.000 1.079 178 Y CB 1.846 40.302 38.460 -0.007 0.000 1.226 178 Y HN 0.657 nan 8.280 nan 0.000 0.460 179 F N 0.228 120.227 119.950 0.081 0.000 2.629 179 F HA 0.741 5.266 4.527 -0.003 0.000 0.316 179 F C -2.051 173.806 175.800 0.094 0.000 1.081 179 F CA -1.940 56.084 58.000 0.041 0.000 0.954 179 F CB 1.646 40.545 39.000 -0.168 0.000 1.337 179 F HN 0.416 nan 8.300 nan 0.000 0.474 180 Y N 1.523 121.941 120.300 0.197 0.000 2.421 180 Y HA 0.596 5.144 4.550 -0.004 0.000 0.339 180 Y C -1.824 174.209 175.900 0.220 0.000 0.996 180 Y CA -0.591 57.574 58.100 0.107 0.000 1.046 180 Y CB 1.403 39.901 38.460 0.065 0.000 1.226 180 Y HN 0.940 nan 8.280 nan 0.000 0.445 181 D N 4.843 124.899 120.400 -0.574 0.000 2.583 181 D HA 0.199 4.837 4.640 -0.003 0.000 0.248 181 D C 0.623 176.630 176.300 -0.488 0.000 1.209 181 D CA -0.402 53.422 54.000 -0.294 0.000 0.848 181 D CB 1.905 42.742 40.800 0.061 0.000 1.431 181 D HN 0.745 nan 8.370 nan 0.000 0.436 182 I N -0.876 119.565 120.570 -0.214 0.000 2.546 182 I HA 0.105 4.273 4.170 -0.003 0.000 0.255 182 I C 0.878 176.943 176.117 -0.087 0.000 1.163 182 I CA 0.482 61.701 61.300 -0.136 0.000 1.457 182 I CB -0.100 37.894 38.000 -0.011 0.000 1.092 182 I HN 0.297 nan 8.210 nan 0.000 0.434 183 E N 1.543 121.711 120.200 -0.054 0.000 2.299 183 E HA 0.352 4.700 4.350 -0.003 0.000 0.260 183 E C -0.938 175.659 176.600 -0.006 0.000 0.944 183 E CA -0.987 55.399 56.400 -0.023 0.000 0.815 183 E CB 0.985 30.685 29.700 -0.000 0.000 1.252 183 E HN 0.055 nan 8.360 nan 0.000 0.418 184 N N 1.953 120.656 118.700 0.004 0.000 2.458 184 N HA 0.154 4.892 4.740 -0.003 0.000 0.270 184 N C -0.809 174.741 175.510 0.066 0.000 1.102 184 N CA -0.112 52.953 53.050 0.025 0.000 0.967 184 N CB 0.918 39.408 38.487 0.005 0.000 1.078 184 N HN 0.316 nan 8.380 nan 0.000 0.471 185 K N 1.596 122.081 120.400 0.142 0.000 2.207 185 K HA 0.317 4.635 4.320 -0.003 0.000 0.255 185 K C -0.384 176.320 176.600 0.173 0.000 0.941 185 K CA -0.996 55.393 56.287 0.171 0.000 0.825 185 K CB 2.176 34.832 32.500 0.259 0.000 1.119 185 K HN 0.293 nan 8.250 nan 0.000 0.430 186 L N 4.968 126.259 121.223 0.114 0.000 2.407 186 L HA 0.221 4.559 4.340 -0.003 0.000 0.282 186 L C -2.299 174.661 176.870 0.149 0.000 1.110 186 L CA -1.359 53.542 54.840 0.100 0.000 0.863 186 L CB -0.038 42.048 42.059 0.045 0.000 1.207 186 L HN 0.318 nan 8.230 nan 0.000 0.454 187 P HA 0.092 nan 4.420 nan 0.000 0.265 187 P C -0.868 176.519 177.300 0.145 0.000 1.193 187 P CA -0.097 63.124 63.100 0.202 0.000 0.765 187 P CB 0.468 32.281 31.700 0.187 0.000 0.823 188 L N 2.313 123.638 121.223 0.171 0.000 2.334 188 L HA 0.448 4.786 4.340 -0.003 0.000 0.275 188 L C 1.505 178.421 176.870 0.076 0.000 1.036 188 L CA 0.402 55.293 54.840 0.086 0.000 0.807 188 L CB 0.700 42.782 42.059 0.039 0.000 1.231 188 L HN 0.748 nan 8.230 nan 0.000 0.438 189 G N 3.534 112.358 108.800 0.040 0.000 2.602 189 G HA2 -0.354 3.604 3.960 -0.003 0.000 0.306 189 G HA3 -0.354 3.604 3.960 -0.003 0.000 0.306 189 G C 0.466 175.387 174.900 0.036 0.000 1.301 189 G CA 0.314 45.432 45.100 0.030 0.000 0.974 189 G HN 0.710 nan 8.290 nan 0.000 0.547 190 N N 1.999 120.716 118.700 0.028 0.000 2.451 190 N HA 0.499 5.237 4.740 -0.003 0.000 0.264 190 N C 0.786 176.298 175.510 0.002 0.000 1.167 190 N CA 0.642 53.703 53.050 0.018 0.000 0.898 190 N CB 0.361 38.858 38.487 0.017 0.000 1.176 190 N HN 0.911 nan 8.380 nan 0.000 0.507 191 A N 0.083 122.927 122.820 0.040 0.000 2.386 191 A HA 0.492 4.809 4.320 -0.003 0.000 0.246 191 A C 0.338 177.939 177.584 0.028 0.000 1.089 191 A CA 0.353 52.421 52.037 0.052 0.000 0.790 191 A CB 0.362 19.459 19.000 0.162 0.000 1.042 191 A HN 0.144 nan 8.150 nan 0.000 0.497 192 T N 1.238 115.759 114.554 -0.056 0.000 3.031 192 T HA 0.344 4.692 4.350 -0.003 0.000 0.305 192 T C -0.547 173.867 174.700 -0.476 0.000 0.985 192 T CA -0.302 61.709 62.100 -0.148 0.000 1.008 192 T CB 1.155 70.001 68.868 -0.035 0.000 1.005 192 T HN 0.728 nan 8.240 nan 0.000 0.444 193 Q N 3.432 122.767 119.800 -0.776 0.000 2.296 193 Q HA 0.437 4.775 4.340 -0.003 0.000 0.263 193 Q C -0.639 175.057 176.000 -0.505 0.000 1.026 193 Q CA -0.337 54.746 55.803 -1.200 0.000 0.912 193 Q CB 0.412 28.598 28.738 -0.920 0.000 1.198 193 Q HN 0.469 nan 8.270 nan 0.000 0.407 194 V N 4.830 124.522 119.914 -0.370 0.000 2.509 194 V HA 0.036 4.154 4.120 -0.003 0.000 0.284 194 V C 0.650 176.681 176.094 -0.105 0.000 1.047 194 V CA -0.383 61.816 62.300 -0.167 0.000 0.952 194 V CB 1.478 33.245 31.823 -0.093 0.000 0.988 194 V HN 0.897 nan 8.190 nan 0.000 0.469 195 Q N 1.430 121.143 119.800 -0.146 0.000 2.269 195 Q HA 0.070 4.408 4.340 -0.003 0.000 0.201 195 Q C 0.330 176.307 176.000 -0.038 0.000 0.946 195 Q CA 1.103 56.806 55.803 -0.168 0.000 0.877 195 Q CB 0.159 28.711 28.738 -0.310 0.000 0.963 195 Q HN 0.760 nan 8.270 nan 0.000 0.472 196 H N -0.574 118.553 119.070 0.096 0.000 2.472 196 H HA 0.093 4.647 4.556 -0.003 0.000 0.338 196 H C 0.481 175.801 175.328 -0.012 0.000 1.133 196 H CA -0.560 55.532 56.048 0.074 0.000 1.216 196 H CB 1.633 31.392 29.762 -0.004 0.000 1.497 196 H HN 0.055 nan 8.280 nan 0.000 0.500 197 L N 2.754 123.906 121.223 -0.118 0.000 2.109 197 L HA -0.134 4.204 4.340 -0.003 0.000 0.207 197 L C 2.107 178.847 176.870 -0.216 0.000 1.086 197 L CA 1.816 56.355 54.840 -0.503 0.000 0.760 197 L CB -0.588 40.917 42.059 -0.925 0.000 0.910 197 L HN 0.660 nan 8.230 nan 0.000 0.437 198 S N -1.862 113.761 115.700 -0.128 0.000 2.447 198 S HA -0.117 4.351 4.470 -0.003 0.000 0.233 198 S C 1.522 176.081 174.600 -0.068 0.000 1.006 198 S CA 0.915 59.057 58.200 -0.097 0.000 0.957 198 S CB -0.600 62.544 63.200 -0.093 0.000 0.773 198 S HN 0.506 nan 8.310 nan 0.000 0.507 199 D N 1.675 122.050 120.400 -0.041 0.000 2.162 199 D HA 0.058 4.696 4.640 -0.003 0.000 0.203 199 D C 1.910 178.146 176.300 -0.106 0.000 0.967 199 D CA 0.704 54.669 54.000 -0.060 0.000 0.840 199 D CB -0.459 40.321 40.800 -0.033 0.000 0.972 199 D HN 0.414 nan 8.370 nan 0.000 0.482 200 L N 0.536 121.704 121.223 -0.092 0.000 2.046 200 L HA -0.135 4.203 4.340 -0.003 0.000 0.208 200 L C 2.177 179.000 176.870 -0.079 0.000 1.077 200 L CA 1.120 55.905 54.840 -0.092 0.000 0.747 200 L CB -0.125 41.924 42.059 -0.017 0.000 0.896 200 L HN -0.032 nan 8.230 nan 0.000 0.432 201 L N -0.427 120.750 121.223 -0.076 0.000 2.109 201 L HA -0.159 4.179 4.340 -0.003 0.000 0.207 201 L C 2.336 179.175 176.870 -0.052 0.000 1.086 201 L CA 0.796 55.602 54.840 -0.056 0.000 0.760 201 L CB -0.842 41.183 42.059 -0.058 0.000 0.910 201 L HN 0.342 nan 8.230 nan 0.000 0.437 202 N N 0.776 119.439 118.700 -0.063 0.000 2.149 202 N HA -0.189 4.549 4.740 -0.003 0.000 0.188 202 N C 1.853 177.319 175.510 -0.072 0.000 1.019 202 N CA 1.865 54.882 53.050 -0.056 0.000 0.857 202 N CB -0.141 38.309 38.487 -0.061 0.000 0.997 202 N HN 0.509 nan 8.380 nan 0.000 0.426 203 M N -1.928 117.607 119.600 -0.108 0.000 2.509 203 M HA 0.256 4.734 4.480 -0.003 0.000 0.250 203 M C 0.201 176.451 176.300 -0.083 0.000 1.132 203 M CA 0.230 55.453 55.300 -0.130 0.000 1.080 203 M CB 0.414 32.867 32.600 -0.245 0.000 1.408 203 M HN -0.287 nan 8.290 nan 0.000 0.484 204 S N 1.986 117.654 115.700 -0.055 0.000 2.562 204 S HA 0.164 4.632 4.470 -0.003 0.000 0.275 204 S C 0.279 174.866 174.600 -0.022 0.000 1.281 204 S CA -0.685 57.515 58.200 -0.000 0.000 1.045 204 S CB 1.195 64.412 63.200 0.027 0.000 0.962 204 S HN 0.321 nan 8.310 nan 0.000 0.503 205 D N 1.011 121.406 120.400 -0.008 0.000 2.301 205 D HA 0.092 4.730 4.640 -0.003 0.000 0.206 205 D C -0.057 176.215 176.300 -0.046 0.000 0.979 205 D CA 0.885 54.849 54.000 -0.060 0.000 0.874 205 D CB 0.436 41.192 40.800 -0.074 0.000 0.968 205 D HN 0.229 nan 8.370 nan 0.000 0.510 206 V N 1.597 121.511 119.914 0.000 0.000 2.569 206 V HA 0.272 4.390 4.120 -0.003 0.000 0.301 206 V C -0.268 175.847 176.094 0.036 0.000 1.044 206 V CA -0.794 61.511 62.300 0.010 0.000 0.874 206 V CB 2.718 34.556 31.823 0.024 0.000 1.002 206 V HN -0.275 nan 8.190 nan 0.000 0.424 207 V N 3.262 123.187 119.914 0.018 0.000 2.459 207 V HA 0.669 4.787 4.120 -0.003 0.000 0.295 207 V C 0.070 176.178 176.094 0.024 0.000 1.029 207 V CA -0.209 62.111 62.300 0.032 0.000 0.874 207 V CB 1.927 33.755 31.823 0.008 0.000 0.985 207 V HN 0.850 nan 8.190 nan 0.000 0.438 208 S N 4.872 120.605 115.700 0.055 0.000 2.594 208 S HA 0.736 5.204 4.470 -0.003 0.000 0.296 208 S C -0.910 173.642 174.600 -0.080 0.000 1.124 208 S CA -0.545 57.655 58.200 -0.000 0.000 1.011 208 S CB 0.852 64.139 63.200 0.145 0.000 1.016 208 S HN 0.550 nan 8.310 nan 0.000 0.485 209 L N 5.428 126.474 121.223 -0.295 0.000 2.289 209 L HA 0.575 4.913 4.340 -0.003 0.000 0.285 209 L C -0.046 176.488 176.870 -0.560 0.000 1.049 209 L CA -0.515 54.173 54.840 -0.253 0.000 0.804 209 L CB 0.830 42.796 42.059 -0.155 0.000 1.195 209 L HN 0.666 nan 8.230 nan 0.000 0.428 210 H N 3.430 122.544 119.070 0.073 0.000 2.514 210 H HA 0.351 4.905 4.556 -0.003 0.000 0.226 210 H C -0.982 174.393 175.328 0.078 0.000 1.421 210 H CA -0.190 55.897 56.048 0.065 0.000 1.394 210 H CB 1.083 30.882 29.762 0.061 0.000 1.701 210 H HN 0.396 nan 8.280 nan 0.000 0.515 211 V N -0.809 119.181 119.914 0.127 0.000 3.001 211 V HA 0.677 4.795 4.120 -0.003 0.000 0.314 211 V C -2.393 173.758 176.094 0.095 0.000 1.099 211 V CA -2.396 59.974 62.300 0.117 0.000 0.989 211 V CB 2.510 34.394 31.823 0.101 0.000 1.040 211 V HN 0.089 nan 8.190 nan 0.000 0.434 212 P HA 0.196 nan 4.420 nan 0.000 0.273 212 P C -0.652 176.683 177.300 0.059 0.000 1.250 212 P CA -0.139 63.010 63.100 0.083 0.000 0.793 212 P CB 0.624 32.377 31.700 0.088 0.000 1.011 213 E N 1.328 121.557 120.200 0.048 0.000 2.052 213 E HA 0.196 4.544 4.350 -0.003 0.000 0.283 213 E C -0.499 176.124 176.600 0.038 0.000 1.071 213 E CA -0.396 56.026 56.400 0.037 0.000 0.851 213 E CB -0.226 29.493 29.700 0.032 0.000 1.066 213 E HN 0.457 nan 8.360 nan 0.000 0.396 214 N N 2.786 121.509 118.700 0.038 0.000 3.046 214 N HA 0.271 5.009 4.740 -0.003 0.000 0.243 214 N C -2.647 172.883 175.510 0.033 0.000 1.452 214 N CA -1.501 51.571 53.050 0.035 0.000 0.882 214 N CB 1.055 39.566 38.487 0.040 0.000 1.425 214 N HN -0.020 nan 8.380 nan 0.000 0.517 215 P HA -0.267 nan 4.420 nan 0.000 0.219 215 P C 1.006 178.325 177.300 0.031 0.000 1.153 215 P CA 2.535 65.652 63.100 0.027 0.000 0.865 215 P CB 0.054 31.769 31.700 0.025 0.000 0.788 216 S N -2.316 113.407 115.700 0.038 0.000 2.496 216 S HA -0.045 4.423 4.470 -0.003 0.000 0.224 216 S C 1.640 176.270 174.600 0.050 0.000 0.996 216 S CA 1.333 59.561 58.200 0.045 0.000 0.927 216 S CB -1.347 61.886 63.200 0.055 0.000 0.774 216 S HN 0.304 nan 8.310 nan 0.000 0.524 217 T N -1.536 113.045 114.554 0.046 0.000 3.022 217 T HA 0.268 4.616 4.350 -0.003 0.000 0.250 217 T C 0.528 175.244 174.700 0.027 0.000 1.060 217 T CA -0.353 61.773 62.100 0.044 0.000 1.013 217 T CB -0.447 68.449 68.868 0.047 0.000 0.982 217 T HN 0.358 nan 8.240 nan 0.000 0.508 218 K N 2.572 122.986 120.400 0.024 0.000 2.402 218 K HA -0.042 4.276 4.320 -0.003 0.000 0.279 218 K C -0.242 176.365 176.600 0.012 0.000 1.082 218 K CA 0.201 56.498 56.287 0.017 0.000 1.080 218 K CB -0.281 32.230 32.500 0.018 0.000 0.899 218 K HN 0.196 nan 8.250 nan 0.000 0.469 219 N N 3.010 121.713 118.700 0.006 0.000 2.725 219 N HA -0.244 4.494 4.740 -0.003 0.000 0.249 219 N C 0.830 176.339 175.510 -0.002 0.000 1.103 219 N CA 1.422 54.472 53.050 0.000 0.000 0.707 219 N CB -1.268 37.221 38.487 0.003 0.000 1.043 219 N HN 0.822 nan 8.380 nan 0.000 0.553 220 M N -2.909 116.692 119.600 0.002 0.000 2.159 220 M HA -0.027 4.451 4.480 -0.003 0.000 0.263 220 M C 0.676 176.968 176.300 -0.014 0.000 1.063 220 M CA 1.543 56.844 55.300 0.002 0.000 1.110 220 M CB 0.002 32.614 32.600 0.019 0.000 1.374 220 M HN -0.040 nan 8.290 nan 0.000 0.411 221 M N 2.969 122.559 119.600 -0.018 0.000 2.974 221 M HA 0.341 4.819 4.480 -0.003 0.000 0.301 221 M C 0.245 176.532 176.300 -0.022 0.000 1.409 221 M CA -0.035 55.250 55.300 -0.026 0.000 1.515 221 M CB -0.592 31.989 32.600 -0.031 0.000 1.163 221 M HN 0.345 nan 8.290 nan 0.000 0.520 222 G N 0.903 109.690 108.800 -0.021 0.000 2.531 222 G HA2 0.572 4.530 3.960 -0.003 0.000 0.313 222 G HA3 0.572 4.530 3.960 -0.003 0.000 0.313 222 G C 0.841 175.728 174.900 -0.022 0.000 1.238 222 G CA -0.057 45.032 45.100 -0.018 0.000 0.994 222 G HN 0.632 nan 8.290 nan 0.000 0.493 223 A N -0.231 122.576 122.820 -0.021 0.000 1.915 223 A HA -0.195 4.123 4.320 -0.003 0.000 0.220 223 A C 2.247 179.806 177.584 -0.042 0.000 1.198 223 A CA 2.446 54.465 52.037 -0.029 0.000 0.647 223 A CB -0.648 18.336 19.000 -0.028 0.000 0.825 223 A HN 0.625 nan 8.150 nan 0.000 0.456 224 K N -0.826 119.550 120.400 -0.040 0.000 2.009 224 K HA -0.230 4.088 4.320 -0.003 0.000 0.210 224 K C 2.025 178.596 176.600 -0.049 0.000 1.049 224 K CA 2.008 58.266 56.287 -0.047 0.000 0.929 224 K CB -0.182 32.292 32.500 -0.043 0.000 0.714 224 K HN 0.524 nan 8.250 nan 0.000 0.440 225 E N 0.683 120.857 120.200 -0.043 0.000 2.072 225 E HA -0.129 4.219 4.350 -0.003 0.000 0.191 225 E C 1.921 178.507 176.600 -0.024 0.000 0.985 225 E CA 1.065 57.439 56.400 -0.044 0.000 0.801 225 E CB -0.109 29.562 29.700 -0.049 0.000 0.750 225 E HN 0.331 nan 8.360 nan 0.000 0.452 226 I N 0.815 121.378 120.570 -0.013 0.000 2.226 226 I HA -0.293 3.875 4.170 -0.003 0.000 0.245 226 I C 2.301 178.451 176.117 0.055 0.000 1.100 226 I CA 1.435 62.751 61.300 0.026 0.000 1.374 226 I CB -0.385 37.628 38.000 0.022 0.000 1.057 226 I HN 0.147 nan 8.210 nan 0.000 0.413 227 S N 1.020 116.685 115.700 -0.059 0.000 2.442 227 S HA -0.116 4.352 4.470 -0.003 0.000 0.236 227 S C 1.866 176.415 174.600 -0.085 0.000 1.007 227 S CA 0.942 59.022 58.200 -0.201 0.000 0.965 227 S CB -0.649 62.435 63.200 -0.193 0.000 0.773 227 S HN 0.463 nan 8.310 nan 0.000 0.504 228 L N -0.019 121.196 121.223 -0.013 0.000 2.418 228 L HA 0.232 4.570 4.340 -0.003 0.000 0.218 228 L C 1.456 178.357 176.870 0.052 0.000 1.125 228 L CA 0.094 54.936 54.840 0.003 0.000 0.835 228 L CB -0.470 41.569 42.059 -0.033 0.000 0.953 228 L HN 0.327 nan 8.230 nan 0.000 0.454 229 M N 0.272 119.938 119.600 0.109 0.000 2.228 229 M HA -0.021 4.457 4.480 -0.003 0.000 0.303 229 M C 0.565 176.895 176.300 0.049 0.000 1.099 229 M CA 0.486 55.824 55.300 0.063 0.000 1.171 229 M CB 0.281 32.903 32.600 0.037 0.000 1.412 229 M HN -0.086 nan 8.290 nan 0.000 0.447 230 K N 2.124 122.494 120.400 -0.049 0.000 2.412 230 K HA 0.168 4.486 4.320 -0.003 0.000 0.281 230 K C -2.330 174.135 176.600 -0.224 0.000 1.027 230 K CA -1.456 54.779 56.287 -0.085 0.000 0.989 230 K CB 0.373 32.819 32.500 -0.090 0.000 0.935 230 K HN 0.145 nan 8.250 nan 0.000 0.475 231 P HA -0.092 nan 4.420 nan 0.000 0.261 231 P C 0.113 177.291 177.300 -0.204 0.000 1.173 231 P CA 1.055 64.008 63.100 -0.246 0.000 0.760 231 P CB 0.480 32.160 31.700 -0.034 0.000 0.783 232 G N 1.893 110.564 108.800 -0.216 0.000 2.168 232 G HA2 -0.242 3.716 3.960 -0.003 0.000 0.257 232 G HA3 -0.242 3.716 3.960 -0.003 0.000 0.257 232 G C 0.401 175.204 174.900 -0.162 0.000 0.997 232 G CA 0.411 45.428 45.100 -0.137 0.000 0.708 232 G HN 0.780 nan 8.290 nan 0.000 0.520 233 S N -1.096 114.483 115.700 -0.202 0.000 2.713 233 S HA 0.848 5.316 4.470 -0.003 0.000 0.277 233 S C 0.058 174.587 174.600 -0.118 0.000 1.168 233 S CA -0.828 57.279 58.200 -0.155 0.000 0.994 233 S CB 1.905 65.019 63.200 -0.143 0.000 1.054 233 S HN 0.725 nan 8.310 nan 0.000 0.555 234 L N 0.781 121.955 121.223 -0.082 0.000 2.346 234 L HA 0.620 4.958 4.340 -0.003 0.000 0.274 234 L C -0.946 175.893 176.870 -0.051 0.000 1.007 234 L CA -0.938 53.865 54.840 -0.060 0.000 0.818 234 L CB 1.678 43.716 42.059 -0.036 0.000 1.284 234 L HN 0.601 nan 8.230 nan 0.000 0.424 235 L N 3.900 125.089 121.223 -0.056 0.000 2.307 235 L HA 0.645 4.983 4.340 -0.003 0.000 0.284 235 L C -0.884 175.953 176.870 -0.056 0.000 1.023 235 L CA 0.071 54.880 54.840 -0.052 0.000 0.810 235 L CB 1.308 43.332 42.059 -0.058 0.000 1.231 235 L HN 0.409 nan 8.230 nan 0.000 0.423 236 I N 4.572 125.108 120.570 -0.057 0.000 2.466 236 I HA 0.407 4.575 4.170 -0.003 0.000 0.289 236 I C -0.850 175.194 176.117 -0.122 0.000 1.026 236 I CA -0.527 60.731 61.300 -0.070 0.000 1.078 236 I CB 1.881 39.862 38.000 -0.032 0.000 1.249 236 I HN 0.593 nan 8.210 nan 0.000 0.429 237 N N 5.097 123.708 118.700 -0.148 0.000 2.531 237 N HA 0.598 5.336 4.740 -0.003 0.000 0.268 237 N C -0.508 174.881 175.510 -0.203 0.000 1.023 237 N CA -0.369 52.563 53.050 -0.197 0.000 0.896 237 N CB 1.863 40.237 38.487 -0.189 0.000 1.233 237 N HN 0.676 nan 8.380 nan 0.000 0.512 238 A N 2.255 124.962 122.820 -0.189 0.000 2.606 238 A HA 0.227 4.545 4.320 -0.003 0.000 0.290 238 A C 1.309 178.840 177.584 -0.088 0.000 1.174 238 A CA 0.182 52.148 52.037 -0.117 0.000 0.958 238 A CB -0.423 18.573 19.000 -0.007 0.000 1.194 238 A HN 0.639 nan 8.150 nan 0.000 0.526 239 S N 0.363 115.978 115.700 -0.143 0.000 2.294 239 S HA 0.317 4.784 4.470 -0.003 0.000 0.182 239 S C 0.836 175.386 174.600 -0.083 0.000 1.053 239 S CA 0.204 58.364 58.200 -0.066 0.000 1.161 239 S CB 0.034 63.188 63.200 -0.076 0.000 0.890 239 S HN 0.374 nan 8.310 nan 0.000 0.448 240 R N -0.516 119.925 120.500 -0.098 0.000 2.808 240 R HA 0.483 4.821 4.340 -0.003 0.000 0.272 240 R C 0.927 177.157 176.300 -0.117 0.000 0.995 240 R CA -0.064 55.975 56.100 -0.101 0.000 0.917 240 R CB 1.409 31.692 30.300 -0.029 0.000 1.217 240 R HN 0.570 nan 8.270 nan 0.000 0.471 241 G N -0.396 108.344 108.800 -0.101 0.000 2.744 241 G HA2 -0.164 3.794 3.960 -0.003 0.000 0.211 241 G HA3 -0.164 3.794 3.960 -0.003 0.000 0.211 241 G C 1.075 175.961 174.900 -0.024 0.000 1.143 241 G CA 0.954 46.010 45.100 -0.073 0.000 0.788 241 G HN 0.655 nan 8.290 nan 0.000 0.534 242 T N -2.030 112.516 114.554 -0.013 0.000 3.067 242 T HA 0.055 4.403 4.350 -0.003 0.000 0.261 242 T C 2.120 176.815 174.700 -0.008 0.000 1.110 242 T CA 0.681 62.782 62.100 0.002 0.000 1.113 242 T CB 0.229 69.104 68.868 0.012 0.000 0.917 242 T HN -0.032 nan 8.240 nan 0.000 0.499 243 V N 0.928 120.827 119.914 -0.026 0.000 2.719 243 V HA 0.145 4.263 4.120 -0.003 0.000 0.252 243 V C 0.936 177.013 176.094 -0.029 0.000 1.065 243 V CA 0.577 62.862 62.300 -0.024 0.000 1.086 243 V CB 0.016 31.819 31.823 -0.033 0.000 0.700 243 V HN 0.403 nan 8.190 nan 0.000 0.467 244 V N 0.654 120.543 119.914 -0.040 0.000 2.487 244 V HA 0.326 4.444 4.120 -0.003 0.000 0.298 244 V C -0.503 175.579 176.094 -0.019 0.000 1.028 244 V CA -0.946 61.332 62.300 -0.038 0.000 0.860 244 V CB 1.822 33.608 31.823 -0.062 0.000 0.991 244 V HN 0.272 nan 8.190 nan 0.000 0.427 245 D N 4.194 124.588 120.400 -0.011 0.000 2.356 245 D HA 0.090 4.728 4.640 -0.003 0.000 0.272 245 D C 0.999 177.303 176.300 0.007 0.000 1.337 245 D CA 0.413 54.414 54.000 0.001 0.000 0.970 245 D CB 0.729 41.529 40.800 -0.000 0.000 1.092 245 D HN 0.486 nan 8.370 nan 0.000 0.516 246 I N 5.400 125.984 120.570 0.024 0.000 2.202 246 I HA -0.146 4.022 4.170 -0.003 0.000 0.242 246 I C -0.693 175.450 176.117 0.044 0.000 1.091 246 I CA 0.413 61.738 61.300 0.041 0.000 1.368 246 I CB -0.834 37.220 38.000 0.090 0.000 1.058 246 I HN 0.376 nan 8.210 nan 0.000 0.410 247 P HA -0.232 nan 4.420 nan 0.000 0.216 247 P C 1.397 178.718 177.300 0.034 0.000 1.154 247 P CA 2.007 65.134 63.100 0.044 0.000 0.865 247 P CB -0.035 31.684 31.700 0.032 0.000 0.789 248 A N -1.182 121.649 122.820 0.018 0.000 1.968 248 A HA -0.122 4.196 4.320 -0.003 0.000 0.217 248 A C 2.080 179.664 177.584 0.001 0.000 1.169 248 A CA 1.071 53.113 52.037 0.008 0.000 0.638 248 A CB -1.502 17.497 19.000 -0.002 0.000 0.812 248 A HN 0.144 nan 8.150 nan 0.000 0.446 249 L N 0.011 121.229 121.223 -0.007 0.000 2.017 249 L HA -0.043 4.295 4.340 -0.003 0.000 0.208 249 L C 2.634 179.462 176.870 -0.070 0.000 1.073 249 L CA 2.181 56.999 54.840 -0.036 0.000 0.745 249 L CB -1.012 41.021 42.059 -0.044 0.000 0.894 249 L HN 0.334 nan 8.230 nan 0.000 0.432 250 A N -0.490 122.314 122.820 -0.026 0.000 1.892 250 A HA -0.284 4.034 4.320 -0.003 0.000 0.218 250 A C 2.018 179.641 177.584 0.066 0.000 1.188 250 A CA 2.179 54.229 52.037 0.021 0.000 0.631 250 A CB -1.062 18.039 19.000 0.168 0.000 0.822 250 A HN 0.572 nan 8.150 nan 0.000 0.447 251 D N -0.120 120.318 120.400 0.063 0.000 2.149 251 D HA -0.062 4.576 4.640 -0.003 0.000 0.198 251 D C 2.182 178.513 176.300 0.052 0.000 0.990 251 D CA 1.545 55.585 54.000 0.067 0.000 0.839 251 D CB -0.477 40.346 40.800 0.038 0.000 0.948 251 D HN 0.462 nan 8.370 nan 0.000 0.460 252 A N 0.243 123.077 122.820 0.024 0.000 1.969 252 A HA -0.081 4.237 4.320 -0.003 0.000 0.218 252 A C 2.339 179.941 177.584 0.030 0.000 1.169 252 A CA 0.808 52.877 52.037 0.054 0.000 0.635 252 A CB -0.542 18.502 19.000 0.073 0.000 0.810 252 A HN 0.198 nan 8.150 nan 0.000 0.445 253 L N -1.164 120.011 121.223 -0.081 0.000 2.095 253 L HA -0.045 4.293 4.340 -0.003 0.000 0.204 253 L C 3.077 179.979 176.870 0.054 0.000 1.080 253 L CA 0.808 55.537 54.840 -0.185 0.000 0.759 253 L CB -0.492 41.129 42.059 -0.730 0.000 0.914 253 L HN 0.387 nan 8.230 nan 0.000 0.439 254 A N 0.342 123.289 122.820 0.211 0.000 1.917 254 A HA -0.247 4.071 4.320 -0.003 0.000 0.219 254 A C 2.416 180.101 177.584 0.169 0.000 1.182 254 A CA 2.254 54.477 52.037 0.310 0.000 0.633 254 A CB -0.789 18.380 19.000 0.282 0.000 0.819 254 A HN 0.522 nan 8.150 nan 0.000 0.448 255 S N -1.615 114.158 115.700 0.121 0.000 2.561 255 S HA 0.064 4.532 4.470 -0.003 0.000 0.225 255 S C 0.808 175.469 174.600 0.101 0.000 0.977 255 S CA 0.887 59.144 58.200 0.096 0.000 0.926 255 S CB -0.260 62.987 63.200 0.077 0.000 0.769 255 S HN 0.569 nan 8.310 nan 0.000 0.533 256 K N -0.790 119.673 120.400 0.104 0.000 3.341 256 K HA -0.296 4.022 4.320 -0.003 0.000 0.305 256 K C 0.714 177.358 176.600 0.073 0.000 1.270 256 K CA 1.029 57.365 56.287 0.081 0.000 0.897 256 K CB -2.141 30.404 32.500 0.076 0.000 1.264 256 K HN 0.692 nan 8.250 nan 0.000 0.468 257 H N 0.507 119.581 119.070 0.005 0.000 2.353 257 H HA 0.069 4.623 4.556 -0.003 0.000 0.300 257 H C 0.553 175.870 175.328 -0.019 0.000 1.090 257 H CA 1.722 57.766 56.048 -0.007 0.000 1.327 257 H CB 0.264 30.019 29.762 -0.013 0.000 1.383 257 H HN 0.200 nan 8.280 nan 0.000 0.508 258 L N -0.102 121.044 121.223 -0.128 0.000 2.360 258 L HA 0.421 4.758 4.340 -0.003 0.000 0.271 258 L C 0.936 177.750 176.870 -0.094 0.000 1.057 258 L CA -0.209 54.531 54.840 -0.168 0.000 0.803 258 L CB 1.706 43.692 42.059 -0.122 0.000 1.207 258 L HN 0.205 nan 8.230 nan 0.000 0.445 259 A N 1.492 124.263 122.820 -0.081 0.000 2.348 259 A HA 0.629 4.947 4.320 -0.003 0.000 0.224 259 A C 0.609 178.181 177.584 -0.019 0.000 1.227 259 A CA 0.434 52.455 52.037 -0.026 0.000 0.885 259 A CB 0.051 19.053 19.000 0.003 0.000 0.933 259 A HN 0.902 nan 8.150 nan 0.000 0.506 260 G N -2.565 106.202 108.800 -0.056 0.000 2.320 260 G HA2 0.633 4.591 3.960 -0.003 0.000 0.297 260 G HA3 0.633 4.591 3.960 -0.003 0.000 0.297 260 G C -1.050 173.808 174.900 -0.071 0.000 1.344 260 G CA 0.095 45.163 45.100 -0.053 0.000 0.851 260 G HN 1.436 nan 8.290 nan 0.000 0.567 261 A N -1.445 121.340 122.820 -0.059 0.000 2.564 261 A HA 1.083 5.401 4.320 -0.003 0.000 0.291 261 A C -0.795 176.773 177.584 -0.027 0.000 1.102 261 A CA 0.248 52.252 52.037 -0.055 0.000 0.660 261 A CB 1.122 20.071 19.000 -0.085 0.000 1.283 261 A HN 2.611 nan 8.150 nan 0.000 0.430 262 A N 0.950 123.750 122.820 -0.034 0.000 2.446 262 A HA 0.647 4.965 4.320 -0.003 0.000 0.282 262 A C -1.139 176.408 177.584 -0.062 0.000 1.102 262 A CA -0.263 51.761 52.037 -0.021 0.000 0.737 262 A CB 0.515 19.511 19.000 -0.006 0.000 1.212 262 A HN 0.743 nan 8.150 nan 0.000 0.434 263 I N 2.288 122.814 120.570 -0.073 0.000 2.404 263 I HA 0.352 4.520 4.170 -0.003 0.000 0.293 263 I C 0.205 176.156 176.117 -0.276 0.000 0.992 263 I CA -0.132 61.032 61.300 -0.226 0.000 1.149 263 I CB 1.843 39.665 38.000 -0.296 0.000 1.315 263 I HN 0.846 nan 8.210 nan 0.000 0.446 264 D N 4.194 124.390 120.400 -0.339 0.000 2.479 264 D HA 0.133 4.771 4.640 -0.003 0.000 0.216 264 D C -0.217 175.903 176.300 -0.301 0.000 1.110 264 D CA 0.415 54.302 54.000 -0.188 0.000 0.841 264 D CB 0.906 41.660 40.800 -0.077 0.000 1.040 264 D HN 0.308 nan 8.370 nan 0.000 0.505 265 V N -1.625 117.902 119.914 -0.645 0.000 2.841 265 V HA 0.728 4.846 4.120 -0.003 0.000 0.310 265 V C -1.016 174.665 176.094 -0.689 0.000 1.090 265 V CA -0.994 60.985 62.300 -0.536 0.000 0.930 265 V CB 1.494 33.028 31.823 -0.483 0.000 1.014 265 V HN -0.110 nan 8.190 nan 0.000 0.425 266 F N 1.564 121.516 119.950 0.002 0.000 2.588 266 F HA 0.664 5.189 4.527 -0.003 0.000 0.314 266 F C -1.779 174.044 175.800 0.038 0.000 1.069 266 F CA -2.075 55.958 58.000 0.055 0.000 0.931 266 F CB 2.162 41.249 39.000 0.146 0.000 1.260 266 F HN 0.302 nan 8.300 nan 0.000 0.465 267 P HA -0.133 nan 4.420 nan 0.000 0.218 267 P C 0.010 177.382 177.300 0.120 0.000 1.152 267 P CA 1.789 64.961 63.100 0.120 0.000 0.857 267 P CB -0.011 31.746 31.700 0.096 0.000 0.787 268 T N -4.202 110.442 114.554 0.150 0.000 2.916 268 T HA 0.577 4.925 4.350 -0.003 0.000 0.305 268 T C -1.012 173.785 174.700 0.162 0.000 1.119 268 T CA -0.969 61.205 62.100 0.123 0.000 1.008 268 T CB 2.553 71.462 68.868 0.068 0.000 1.129 268 T HN -0.152 nan 8.240 nan 0.000 0.480 269 E N 1.503 121.797 120.200 0.158 0.000 2.266 269 E HA 0.527 4.875 4.350 -0.003 0.000 0.268 269 E C -2.645 174.030 176.600 0.125 0.000 0.879 269 E CA -2.286 54.224 56.400 0.183 0.000 0.762 269 E CB 1.526 31.377 29.700 0.252 0.000 1.199 269 E HN 0.512 nan 8.360 nan 0.000 0.422 270 P HA -0.095 nan 4.420 nan 0.000 0.263 270 P C -0.275 177.067 177.300 0.070 0.000 1.175 270 P CA 0.311 63.461 63.100 0.083 0.000 0.761 270 P CB 0.686 32.440 31.700 0.091 0.000 0.794 271 A N 3.147 125.997 122.820 0.048 0.000 1.831 271 A HA 0.032 4.350 4.320 -0.003 0.000 0.213 271 A C 1.035 178.629 177.584 0.017 0.000 1.223 271 A CA 1.295 53.354 52.037 0.036 0.000 0.604 271 A CB -0.952 18.064 19.000 0.027 0.000 0.878 271 A HN 0.559 nan 8.150 nan 0.000 0.450 272 T N 0.016 114.574 114.554 0.007 0.000 2.770 272 T HA 0.192 4.540 4.350 -0.003 0.000 0.281 272 T C 0.804 175.508 174.700 0.007 0.000 0.981 272 T CA -0.259 61.839 62.100 -0.003 0.000 0.955 272 T CB 0.461 69.323 68.868 -0.010 0.000 1.060 272 T HN 0.269 nan 8.240 nan 0.000 0.531 273 N N 0.391 119.091 118.700 -0.000 0.000 2.446 273 N HA -0.009 4.729 4.740 -0.003 0.000 0.179 273 N C 1.848 177.360 175.510 0.004 0.000 1.054 273 N CA 0.305 53.356 53.050 0.002 0.000 0.905 273 N CB -0.130 38.354 38.487 -0.005 0.000 0.973 273 N HN 0.517 nan 8.380 nan 0.000 0.448 274 S N -0.423 115.279 115.700 0.002 0.000 2.489 274 S HA 0.056 4.524 4.470 -0.003 0.000 0.228 274 S C 0.450 175.056 174.600 0.010 0.000 0.995 274 S CA 0.075 58.277 58.200 0.003 0.000 0.934 274 S CB 0.173 63.372 63.200 -0.002 0.000 0.771 274 S HN 0.128 nan 8.310 nan 0.000 0.522 275 D N 3.634 124.043 120.400 0.015 0.000 2.372 275 D HA 0.296 4.934 4.640 -0.003 0.000 0.243 275 D C -2.227 174.095 176.300 0.037 0.000 1.121 275 D CA -1.049 52.963 54.000 0.021 0.000 0.898 275 D CB 0.544 41.358 40.800 0.022 0.000 1.202 275 D HN 0.192 nan 8.370 nan 0.000 0.428 276 P HA 0.277 nan 4.420 nan 0.000 0.281 276 P C -0.981 176.363 177.300 0.073 0.000 1.249 276 P CA -0.546 62.581 63.100 0.045 0.000 0.810 276 P CB 0.699 32.405 31.700 0.011 0.000 1.008 277 F N 1.064 120.970 119.950 -0.073 0.000 2.480 277 F HA 0.646 5.172 4.527 -0.003 0.000 0.329 277 F C -0.582 175.146 175.800 -0.120 0.000 1.091 277 F CA -0.119 57.808 58.000 -0.122 0.000 0.972 277 F CB 2.134 41.039 39.000 -0.158 0.000 1.150 277 F HN 0.335 nan 8.300 nan 0.000 0.467 278 T N 3.598 117.416 114.554 -1.227 0.000 2.923 278 T HA 0.611 4.959 4.350 -0.003 0.000 0.311 278 T C -1.790 172.278 174.700 -1.052 0.000 1.183 278 T CA -0.454 61.079 62.100 -0.944 0.000 1.020 278 T CB 1.254 69.884 68.868 -0.397 0.000 1.165 278 T HN 0.888 nan 8.240 nan 0.000 0.482 279 S N 3.453 118.786 115.700 -0.612 0.000 2.560 279 S HA 0.499 4.967 4.470 -0.003 0.000 0.283 279 S C -2.398 172.175 174.600 -0.045 0.000 1.141 279 S CA -0.897 57.132 58.200 -0.285 0.000 0.902 279 S CB 1.632 64.724 63.200 -0.181 0.000 1.104 279 S HN 0.512 nan 8.310 nan 0.000 0.454 280 P HA -0.006 nan 4.420 nan 0.000 0.220 280 P C 1.138 178.581 177.300 0.237 0.000 1.144 280 P CA 0.927 64.089 63.100 0.103 0.000 0.800 280 P CB 0.041 31.812 31.700 0.118 0.000 0.772 281 L N -1.599 119.791 121.223 0.279 0.000 2.478 281 L HA 0.053 4.391 4.340 -0.003 0.000 0.223 281 L C 2.148 179.268 176.870 0.416 0.000 1.140 281 L CA 0.516 55.611 54.840 0.425 0.000 0.842 281 L CB -0.752 41.492 42.059 0.308 0.000 0.953 281 L HN -0.071 nan 8.230 nan 0.000 0.452 282 A N -0.247 122.730 122.820 0.261 0.000 2.248 282 A HA -0.116 4.202 4.320 -0.003 0.000 0.210 282 A C 1.971 179.628 177.584 0.121 0.000 1.174 282 A CA 0.861 53.024 52.037 0.210 0.000 0.750 282 A CB -0.299 18.801 19.000 0.166 0.000 0.780 282 A HN 0.438 nan 8.150 nan 0.000 0.478 283 E N -1.387 118.846 120.200 0.055 0.000 2.442 283 E HA 0.078 4.426 4.350 -0.003 0.000 0.195 283 E C -0.838 175.580 176.600 -0.304 0.000 1.030 283 E CA -0.087 56.199 56.400 -0.189 0.000 0.869 283 E CB 0.117 29.583 29.700 -0.391 0.000 0.857 283 E HN 0.677 nan 8.360 nan 0.000 0.505 284 F N 0.777 120.760 119.950 0.055 0.000 2.415 284 F HA 0.156 4.681 4.527 -0.003 0.000 0.348 284 F C 1.130 176.960 175.800 0.051 0.000 1.119 284 F CA -0.770 57.260 58.000 0.051 0.000 1.069 284 F CB 1.200 40.233 39.000 0.054 0.000 1.124 284 F HN -0.221 nan 8.300 nan 0.000 0.472 285 D N 0.804 121.318 120.400 0.191 0.000 2.234 285 D HA -0.117 4.521 4.640 -0.003 0.000 0.205 285 D C 1.435 177.817 176.300 0.136 0.000 0.962 285 D CA 0.932 55.011 54.000 0.131 0.000 0.855 285 D CB -0.068 40.785 40.800 0.089 0.000 0.951 285 D HN 0.480 nan 8.370 nan 0.000 0.500 286 N N 0.705 119.510 118.700 0.174 0.000 2.362 286 N HA -0.021 4.717 4.740 -0.003 0.000 0.211 286 N C -0.445 175.120 175.510 0.091 0.000 1.170 286 N CA 0.016 53.136 53.050 0.117 0.000 0.828 286 N CB 0.461 39.011 38.487 0.104 0.000 1.034 286 N HN -0.112 nan 8.380 nan 0.000 0.475 287 V N 1.155 121.144 119.914 0.126 0.000 2.588 287 V HA 0.380 4.498 4.120 -0.003 0.000 0.304 287 V C -0.045 176.108 176.094 0.097 0.000 1.042 287 V CA -0.899 61.456 62.300 0.091 0.000 0.877 287 V CB 2.310 34.194 31.823 0.102 0.000 0.996 287 V HN 0.114 nan 8.190 nan 0.000 0.425 288 L N 5.690 126.954 121.223 0.068 0.000 2.292 288 L HA 0.569 4.907 4.340 -0.003 0.000 0.284 288 L C -0.778 176.149 176.870 0.096 0.000 1.065 288 L CA -0.253 54.627 54.840 0.067 0.000 0.806 288 L CB 1.007 43.090 42.059 0.041 0.000 1.175 288 L HN 0.416 nan 8.230 nan 0.000 0.431 289 L N 3.350 124.640 121.223 0.111 0.000 2.376 289 L HA 0.545 4.883 4.340 -0.003 0.000 0.275 289 L C -0.153 176.763 176.870 0.076 0.000 0.987 289 L CA -0.433 54.515 54.840 0.180 0.000 0.828 289 L CB 2.034 44.236 42.059 0.237 0.000 1.249 289 L HN 0.599 nan 8.230 nan 0.000 0.409 290 T N -0.704 113.918 114.554 0.114 0.000 2.887 290 T HA 0.549 4.897 4.350 -0.003 0.000 0.288 290 T C -2.695 172.074 174.700 0.116 0.000 1.021 290 T CA -2.311 59.824 62.100 0.058 0.000 1.000 290 T CB 2.033 70.933 68.868 0.052 0.000 1.034 290 T HN 0.268 nan 8.240 nan 0.000 0.467 291 P HA 0.171 nan 4.420 nan 0.000 0.220 291 P C 0.087 177.506 177.300 0.199 0.000 1.806 291 P CA 0.043 63.185 63.100 0.069 0.000 0.976 291 P CB -1.327 30.354 31.700 -0.033 0.000 1.952 292 H N 1.942 121.082 119.070 0.117 0.000 2.592 292 H HA -0.172 4.382 4.556 -0.004 0.000 0.323 292 H C -0.062 175.297 175.328 0.052 0.000 1.117 292 H CA -0.315 55.784 56.048 0.085 0.000 1.120 292 H CB -0.806 29.023 29.762 0.112 0.000 1.561 292 H HN 0.249 nan 8.280 nan 0.000 0.409 293 I N -2.287 118.395 120.570 0.186 0.000 3.974 293 I HA 0.335 4.503 4.170 -0.003 0.000 0.334 293 I C 2.154 178.333 176.117 0.103 0.000 1.437 293 I CA 0.432 61.793 61.300 0.102 0.000 1.113 293 I CB 0.109 38.145 38.000 0.059 0.000 1.063 293 I HN 0.273 nan 8.210 nan 0.000 0.400 294 G N 1.653 110.540 108.800 0.144 0.000 2.550 294 G HA2 -0.198 3.760 3.960 -0.003 0.000 0.222 294 G HA3 -0.198 3.760 3.960 -0.003 0.000 0.222 294 G C 1.340 176.298 174.900 0.097 0.000 1.113 294 G CA 0.948 46.117 45.100 0.115 0.000 0.748 294 G HN 0.631 nan 8.290 nan 0.000 0.585 295 G N -0.879 107.978 108.800 0.096 0.000 3.735 295 G HA2 0.364 4.321 3.960 -0.003 0.000 0.283 295 G HA3 0.364 4.321 3.960 -0.003 0.000 0.283 295 G C 0.307 175.231 174.900 0.040 0.000 1.007 295 G CA 0.116 45.252 45.100 0.061 0.000 0.821 295 G HN 0.210 nan 8.290 nan 0.000 0.505 296 S N 1.781 117.505 115.700 0.040 0.000 3.940 296 S HA 0.392 4.860 4.470 -0.003 0.000 0.210 296 S C 0.556 175.176 174.600 0.033 0.000 1.419 296 S CA -0.306 57.911 58.200 0.029 0.000 0.912 296 S CB 0.007 63.220 63.200 0.021 0.000 1.489 296 S HN 0.590 nan 8.310 nan 0.000 0.469 297 T N -0.814 113.761 114.554 0.035 0.000 2.910 297 T HA 0.421 4.769 4.350 -0.003 0.000 0.287 297 T C 0.815 175.544 174.700 0.048 0.000 1.050 297 T CA -0.817 61.304 62.100 0.036 0.000 1.011 297 T CB 1.073 69.958 68.868 0.028 0.000 1.195 297 T HN 0.008 nan 8.240 nan 0.000 0.540 298 Q N 0.140 119.973 119.800 0.056 0.000 2.172 298 Q HA 0.007 4.345 4.340 -0.003 0.000 0.200 298 Q C 1.935 177.967 176.000 0.053 0.000 0.964 298 Q CA 1.467 57.325 55.803 0.092 0.000 0.855 298 Q CB -0.354 28.444 28.738 0.101 0.000 0.918 298 Q HN 0.778 nan 8.270 nan 0.000 0.444 299 E N 0.717 120.926 120.200 0.014 0.000 2.072 299 E HA -0.086 4.262 4.350 -0.003 0.000 0.191 299 E C 1.845 178.413 176.600 -0.054 0.000 0.985 299 E CA 1.235 57.616 56.400 -0.033 0.000 0.801 299 E CB -0.326 29.364 29.700 -0.016 0.000 0.750 299 E HN 0.341 nan 8.360 nan 0.000 0.452 300 A N 0.970 123.781 122.820 -0.015 0.000 1.877 300 A HA -0.239 4.079 4.320 -0.003 0.000 0.216 300 A C 2.060 179.639 177.584 -0.009 0.000 1.186 300 A CA 1.337 53.368 52.037 -0.009 0.000 0.620 300 A CB -0.475 18.532 19.000 0.013 0.000 0.822 300 A HN 0.105 nan 8.150 nan 0.000 0.443 301 Q N -0.378 119.437 119.800 0.025 0.000 2.173 301 Q HA -0.248 4.090 4.340 -0.003 0.000 0.208 301 Q C 2.020 177.990 176.000 -0.049 0.000 0.989 301 Q CA 1.932 57.782 55.803 0.080 0.000 0.872 301 Q CB -0.401 28.459 28.738 0.205 0.000 0.909 301 Q HN 0.944 nan 8.270 nan 0.000 0.420 302 E N 0.265 120.256 120.200 -0.347 0.000 2.072 302 E HA -0.145 4.203 4.350 -0.003 0.000 0.190 302 E C 1.526 177.986 176.600 -0.234 0.000 0.982 302 E CA 0.553 56.552 56.400 -0.667 0.000 0.803 302 E CB 0.048 29.220 29.700 -0.880 0.000 0.755 302 E HN 0.306 nan 8.360 nan 0.000 0.453 303 N N 1.132 119.750 118.700 -0.137 0.000 2.036 303 N HA -0.194 4.544 4.740 -0.003 0.000 0.195 303 N C 2.192 177.671 175.510 -0.051 0.000 1.037 303 N CA 1.713 54.718 53.050 -0.074 0.000 0.855 303 N CB -0.377 38.081 38.487 -0.048 0.000 1.033 303 N HN 0.298 nan 8.380 nan 0.000 0.423 304 I N 0.858 121.411 120.570 -0.027 0.000 2.286 304 I HA -0.167 4.001 4.170 -0.003 0.000 0.248 304 I C 2.492 178.620 176.117 0.018 0.000 1.115 304 I CA 1.193 62.481 61.300 -0.020 0.000 1.392 304 I CB -0.534 37.490 38.000 0.041 0.000 1.065 304 I HN 0.161 nan 8.210 nan 0.000 0.418 305 G N 0.819 109.704 108.800 0.142 0.000 2.402 305 G HA2 -0.133 3.825 3.960 -0.003 0.000 0.216 305 G HA3 -0.133 3.825 3.960 -0.003 0.000 0.216 305 G C 1.690 176.695 174.900 0.174 0.000 1.162 305 G CA 0.374 45.667 45.100 0.322 0.000 0.777 305 G HN 0.242 nan 8.290 nan 0.000 0.539 306 L N 0.250 121.494 121.223 0.036 0.000 2.027 306 L HA -0.010 4.328 4.340 -0.003 0.000 0.206 306 L C 2.802 179.643 176.870 -0.048 0.000 1.074 306 L CA 1.725 56.562 54.840 -0.005 0.000 0.745 306 L CB -0.423 41.617 42.059 -0.032 0.000 0.898 306 L HN 0.417 nan 8.230 nan 0.000 0.433 307 E N 0.235 120.385 120.200 -0.083 0.000 2.047 307 E HA -0.171 4.177 4.350 -0.003 0.000 0.191 307 E C 2.078 178.548 176.600 -0.218 0.000 0.987 307 E CA 1.560 57.886 56.400 -0.124 0.000 0.799 307 E CB 0.003 29.639 29.700 -0.105 0.000 0.752 307 E HN 0.199 nan 8.360 nan 0.000 0.449 308 V N 1.315 121.016 119.914 -0.356 0.000 2.379 308 V HA -0.174 3.944 4.120 -0.003 0.000 0.245 308 V C 2.552 178.382 176.094 -0.440 0.000 1.044 308 V CA 1.597 63.544 62.300 -0.588 0.000 1.036 308 V CB -0.852 30.218 31.823 -1.254 0.000 0.664 308 V HN 0.504 nan 8.190 nan 0.000 0.453 309 A N 0.895 123.589 122.820 -0.209 0.000 1.883 309 A HA -0.150 4.168 4.320 -0.003 0.000 0.217 309 A C 2.458 179.959 177.584 -0.139 0.000 1.186 309 A CA 2.150 54.180 52.037 -0.012 0.000 0.624 309 A CB -1.416 17.639 19.000 0.092 0.000 0.822 309 A HN 0.526 nan 8.150 nan 0.000 0.444 310 G N -0.319 108.396 108.800 -0.140 0.000 2.529 310 G HA2 -0.331 3.627 3.960 -0.003 0.000 0.219 310 G HA3 -0.331 3.627 3.960 -0.003 0.000 0.219 310 G C 1.694 176.461 174.900 -0.222 0.000 1.177 310 G CA 1.377 46.390 45.100 -0.145 0.000 0.773 310 G HN 0.592 nan 8.290 nan 0.000 0.573 311 K N -0.218 119.980 120.400 -0.336 0.000 2.097 311 K HA 0.106 4.424 4.320 -0.003 0.000 0.205 311 K C 2.561 178.739 176.600 -0.703 0.000 1.050 311 K CA 0.696 56.624 56.287 -0.598 0.000 0.938 311 K CB -0.215 31.799 32.500 -0.810 0.000 0.718 311 K HN 0.304 nan 8.250 nan 0.000 0.442 312 L N 0.477 121.423 121.223 -0.462 0.000 2.044 312 L HA -0.139 4.199 4.340 -0.003 0.000 0.205 312 L C 2.300 178.998 176.870 -0.288 0.000 1.075 312 L CA 1.038 55.695 54.840 -0.305 0.000 0.747 312 L CB -0.460 41.503 42.059 -0.161 0.000 0.903 312 L HN 0.134 nan 8.230 nan 0.000 0.435 313 I N 0.099 120.511 120.570 -0.263 0.000 2.163 313 I HA -0.320 3.848 4.170 -0.003 0.000 0.243 313 I C 2.622 178.704 176.117 -0.058 0.000 1.085 313 I CA 1.528 62.712 61.300 -0.194 0.000 1.347 313 I CB -0.289 37.650 38.000 -0.101 0.000 1.044 313 I HN 0.205 nan 8.210 nan 0.000 0.408 314 K N -0.134 120.225 120.400 -0.068 0.000 2.063 314 K HA -0.256 4.062 4.320 -0.003 0.000 0.208 314 K C 2.227 178.866 176.600 0.065 0.000 1.048 314 K CA 1.848 58.132 56.287 -0.005 0.000 0.928 314 K CB -0.403 32.076 32.500 -0.035 0.000 0.713 314 K HN 0.279 nan 8.250 nan 0.000 0.442 315 Y N 1.071 121.333 120.300 -0.064 0.000 2.293 315 Y HA -0.203 4.345 4.550 -0.004 0.000 0.291 315 Y C 2.537 178.539 175.900 0.169 0.000 1.137 315 Y CA 1.415 59.566 58.100 0.085 0.000 1.202 315 Y CB -0.211 38.335 38.460 0.142 0.000 0.990 315 Y HN -0.024 nan 8.280 nan 0.000 0.537 316 S N -0.329 115.447 115.700 0.126 0.000 2.345 316 S HA -0.152 4.316 4.470 -0.003 0.000 0.219 316 S C 1.671 176.355 174.600 0.140 0.000 1.031 316 S CA 1.655 59.946 58.200 0.151 0.000 0.984 316 S CB -0.419 62.828 63.200 0.077 0.000 0.874 316 S HN 0.569 nan 8.310 nan 0.000 0.451 317 D N 1.133 121.623 120.400 0.149 0.000 2.224 317 D HA 0.008 4.646 4.640 -0.003 0.000 0.205 317 D C 1.102 177.513 176.300 0.185 0.000 0.965 317 D CA 1.139 55.237 54.000 0.164 0.000 0.852 317 D CB -0.171 40.699 40.800 0.117 0.000 0.947 317 D HN 0.773 nan 8.370 nan 0.000 0.494 318 N N -2.709 116.075 118.700 0.141 0.000 1.997 318 N HA 0.125 4.863 4.740 -0.003 0.000 0.225 318 N C 1.042 176.619 175.510 0.112 0.000 1.383 318 N CA 0.566 53.728 53.050 0.187 0.000 0.770 318 N CB 0.469 39.062 38.487 0.175 0.000 1.178 318 N HN -0.034 nan 8.380 nan 0.000 0.515 319 G N 0.014 108.811 108.800 -0.005 0.000 2.162 319 G HA2 -0.316 3.642 3.960 -0.003 0.000 0.260 319 G HA3 -0.316 3.642 3.960 -0.003 0.000 0.260 319 G C 0.021 175.093 174.900 0.287 0.000 0.976 319 G CA 0.405 45.495 45.100 -0.017 0.000 0.655 319 G HN 0.776 nan 8.290 nan 0.000 0.533 320 S N 0.380 116.249 115.700 0.281 0.000 2.510 320 S HA 0.495 4.963 4.470 -0.003 0.000 0.279 320 S C 1.502 176.410 174.600 0.512 0.000 1.284 320 S CA 1.119 59.513 58.200 0.323 0.000 1.059 320 S CB 0.717 64.038 63.200 0.201 0.000 0.901 320 S HN 1.156 nan 8.310 nan 0.000 0.491 321 T N 3.540 118.374 114.554 0.467 0.000 3.174 321 T HA 0.235 4.583 4.350 -0.003 0.000 0.269 321 T C 0.329 175.207 174.700 0.298 0.000 1.017 321 T CA -0.548 61.792 62.100 0.401 0.000 0.899 321 T CB -0.193 68.855 68.868 0.301 0.000 1.077 321 T HN 0.465 nan 8.240 nan 0.000 0.552 322 L N 3.577 124.965 121.223 0.274 0.000 2.667 322 L HA 0.231 4.569 4.340 -0.003 0.000 0.278 322 L C 1.152 178.176 176.870 0.257 0.000 1.217 322 L CA 1.547 56.512 54.840 0.208 0.000 0.935 322 L CB -0.327 41.831 42.059 0.165 0.000 1.193 322 L HN 0.809 nan 8.230 nan 0.000 0.493 323 S N 1.948 117.752 115.700 0.174 0.000 2.765 323 S HA -0.199 4.269 4.470 -0.003 0.000 0.266 323 S C 0.497 175.140 174.600 0.072 0.000 1.302 323 S CA 0.579 58.864 58.200 0.142 0.000 1.274 323 S CB -2.327 60.967 63.200 0.158 0.000 1.559 323 S HN 2.003 nan 8.310 nan 0.000 0.658 324 A N 1.080 123.867 122.820 -0.055 0.000 2.483 324 A HA 0.611 4.929 4.320 -0.003 0.000 0.238 324 A C 1.526 178.990 177.584 -0.201 0.000 1.070 324 A CA 0.191 51.961 52.037 -0.444 0.000 0.770 324 A CB 0.473 19.030 19.000 -0.738 0.000 1.008 324 A HN 1.670 nan 8.150 nan 0.000 0.497 325 V N -0.851 118.932 119.914 -0.219 0.000 3.644 325 V HA 0.116 4.234 4.120 -0.003 0.000 0.267 325 V C 0.722 176.771 176.094 -0.074 0.000 1.277 325 V CA 0.976 63.208 62.300 -0.112 0.000 1.096 325 V CB -0.612 31.145 31.823 -0.109 0.000 0.828 325 V HN 0.912 nan 8.190 nan 0.000 0.446 326 N N -0.749 117.909 118.700 -0.070 0.000 2.351 326 N HA 0.323 5.061 4.740 -0.003 0.000 0.254 326 N C -0.935 174.632 175.510 0.095 0.000 1.241 326 N CA -0.350 52.696 53.050 -0.006 0.000 0.883 326 N CB 0.598 39.075 38.487 -0.017 0.000 1.202 326 N HN 0.487 nan 8.380 nan 0.000 0.512 327 F N 0.234 120.083 119.950 -0.169 0.000 2.678 327 F HA 0.476 5.001 4.527 -0.003 0.000 0.308 327 F C -2.450 173.289 175.800 -0.101 0.000 1.118 327 F CA -1.696 56.200 58.000 -0.174 0.000 0.959 327 F CB 1.886 40.716 39.000 -0.285 0.000 1.305 327 F HN -0.211 nan 8.300 nan 0.000 0.443 328 P HA 0.083 nan 4.420 nan 0.000 0.264 328 P C -1.326 176.081 177.300 0.179 0.000 1.193 328 P CA 0.223 63.332 63.100 0.014 0.000 0.763 328 P CB 0.372 32.057 31.700 -0.025 0.000 0.810 329 E N 1.591 121.857 120.200 0.110 0.000 2.130 329 E HA 0.344 4.691 4.350 -0.003 0.000 0.284 329 E C -0.691 175.894 176.600 -0.024 0.000 1.018 329 E CA -0.572 55.892 56.400 0.107 0.000 0.817 329 E CB 0.898 30.652 29.700 0.089 0.000 1.078 329 E HN 0.138 nan 8.360 nan 0.000 0.396 330 V N 2.310 122.221 119.914 -0.005 0.000 2.709 330 V HA 0.466 4.584 4.120 -0.003 0.000 0.308 330 V C -0.444 175.568 176.094 -0.137 0.000 1.062 330 V CA -0.629 61.432 62.300 -0.397 0.000 0.901 330 V CB 2.164 33.754 31.823 -0.388 0.000 1.003 330 V HN 0.572 nan 8.190 nan 0.000 0.425 331 S N 3.692 119.279 115.700 -0.188 0.000 2.548 331 S HA 0.856 5.324 4.470 -0.003 0.000 0.276 331 S C -1.968 172.771 174.600 0.233 0.000 1.129 331 S CA -0.389 57.869 58.200 0.096 0.000 0.931 331 S CB 1.516 64.802 63.200 0.143 0.000 1.068 331 S HN 0.574 nan 8.310 nan 0.000 0.480 332 L N 5.517 126.852 121.223 0.186 0.000 2.516 332 L HA 0.614 4.952 4.340 -0.003 0.000 0.267 332 L C -2.364 174.590 176.870 0.141 0.000 0.957 332 L CA -1.451 53.502 54.840 0.188 0.000 0.860 332 L CB 1.883 44.052 42.059 0.182 0.000 1.265 332 L HN 0.495 nan 8.230 nan 0.000 0.403 333 P HA 0.089 nan 4.420 nan 0.000 0.265 333 P C -0.934 176.451 177.300 0.142 0.000 1.187 333 P CA -0.138 63.016 63.100 0.088 0.000 0.766 333 P CB 0.336 32.054 31.700 0.030 0.000 0.820 334 L N 4.439 125.756 121.223 0.157 0.000 2.261 334 L HA 0.209 4.546 4.340 -0.003 0.000 0.289 334 L C 1.698 178.709 176.870 0.235 0.000 1.059 334 L CA 0.375 55.346 54.840 0.218 0.000 0.816 334 L CB -0.207 41.947 42.059 0.159 0.000 1.191 334 L HN 0.575 nan 8.230 nan 0.000 0.431 335 H N 2.214 121.335 119.070 0.086 0.000 2.824 335 H HA 0.447 5.001 4.556 -0.004 0.000 0.238 335 H C -0.146 175.215 175.328 0.055 0.000 0.931 335 H CA 0.142 56.222 56.048 0.053 0.000 1.090 335 H CB 0.747 30.530 29.762 0.034 0.000 1.433 335 H HN 0.322 nan 8.280 nan 0.000 0.437 336 V N -0.000 119.660 119.914 -0.422 0.000 3.258 336 V HA 0.532 4.650 4.120 -0.003 0.000 0.299 336 V C 0.295 176.260 176.094 -0.214 0.000 1.376 336 V CA 0.009 62.049 62.300 -0.434 0.000 1.063 336 V CB 1.431 32.755 31.823 -0.832 0.000 1.103 336 V HN 1.041 nan 8.190 nan 0.000 0.451 337 G N 3.347 112.065 108.800 -0.137 0.000 2.622 337 G HA2 -0.165 3.793 3.960 -0.003 0.000 0.272 337 G HA3 -0.165 3.793 3.960 -0.003 0.000 0.272 337 G C -0.555 174.310 174.900 -0.059 0.000 1.308 337 G CA 0.146 45.188 45.100 -0.097 0.000 0.919 337 G HN 0.866 nan 8.290 nan 0.000 0.565 338 R N 0.278 120.708 120.500 -0.117 0.000 2.349 338 R HA 0.504 4.842 4.340 -0.003 0.000 0.299 338 R C 0.738 176.852 176.300 -0.310 0.000 1.027 338 R CA -0.691 55.297 56.100 -0.186 0.000 0.958 338 R CB 1.265 31.497 30.300 -0.112 0.000 1.047 338 R HN 0.796 nan 8.270 nan 0.000 0.468 339 R N 2.426 122.570 120.500 -0.592 0.000 2.407 339 R HA 0.532 4.870 4.340 -0.003 0.000 0.303 339 R C -0.984 175.130 176.300 -0.310 0.000 0.981 339 R CA -0.386 55.424 56.100 -0.483 0.000 0.905 339 R CB 0.692 30.587 30.300 -0.675 0.000 1.099 339 R HN 0.465 nan 8.270 nan 0.000 0.459 340 L N 3.612 124.748 121.223 -0.146 0.000 2.371 340 L HA 0.594 4.932 4.340 -0.003 0.000 0.262 340 L C -0.711 176.179 176.870 0.033 0.000 1.006 340 L CA -0.795 54.028 54.840 -0.028 0.000 0.818 340 L CB 2.324 44.414 42.059 0.052 0.000 1.354 340 L HN 0.648 nan 8.230 nan 0.000 0.415 341 M N 2.154 121.817 119.600 0.105 0.000 2.327 341 M HA 0.436 4.914 4.480 -0.003 0.000 0.298 341 M C -2.060 174.407 176.300 0.279 0.000 1.065 341 M CA -0.353 55.050 55.300 0.172 0.000 0.916 341 M CB 1.770 34.486 32.600 0.194 0.000 1.630 341 M HN 0.792 nan 8.290 nan 0.000 0.442 342 H N 4.246 123.451 119.070 0.224 0.000 2.759 342 H HA 0.672 5.226 4.556 -0.003 0.000 0.354 342 H C -1.764 173.785 175.328 0.368 0.000 1.074 342 H CA -0.422 55.791 56.048 0.274 0.000 1.226 342 H CB 1.551 31.465 29.762 0.252 0.000 1.648 342 H HN 0.710 nan 8.280 nan 0.000 0.529 343 I N 6.660 127.235 120.570 0.008 0.000 2.465 343 I HA 0.318 4.486 4.170 -0.003 0.000 0.291 343 I C -0.634 175.432 176.117 -0.085 0.000 1.014 343 I CA -0.657 60.662 61.300 0.031 0.000 1.093 343 I CB 1.397 39.440 38.000 0.071 0.000 1.267 343 I HN 0.752 nan 8.210 nan 0.000 0.431 344 H N 3.326 122.424 119.070 0.047 0.000 2.948 344 H HA 0.443 4.997 4.556 -0.003 0.000 0.315 344 H C -1.348 174.007 175.328 0.045 0.000 1.360 344 H CA -1.038 55.050 56.048 0.065 0.000 1.125 344 H CB 1.121 31.033 29.762 0.250 0.000 1.844 344 H HN 0.418 nan 8.280 nan 0.000 0.529 345 E N 0.846 121.190 120.200 0.240 0.000 2.392 345 E HA -0.038 4.310 4.350 -0.003 0.000 0.264 345 E C -0.108 176.631 176.600 0.232 0.000 1.024 345 E CA -0.298 56.188 56.400 0.142 0.000 0.903 345 E CB 0.638 30.400 29.700 0.103 0.000 0.963 345 E HN 0.317 nan 8.360 nan 0.000 0.432 346 N N 3.814 122.585 118.700 0.117 0.000 2.671 346 N HA -0.015 4.723 4.740 -0.003 0.000 0.274 346 N C -1.241 174.325 175.510 0.093 0.000 1.188 346 N CA -0.008 53.116 53.050 0.123 0.000 1.065 346 N CB -0.157 38.360 38.487 0.049 0.000 1.415 346 N HN 0.407 nan 8.380 nan 0.000 0.511 347 R N 1.283 121.844 120.500 0.102 0.000 2.707 347 R HA 0.610 4.947 4.340 -0.003 0.000 0.272 347 R C -2.894 173.426 176.300 0.033 0.000 1.011 347 R CA -1.668 54.465 56.100 0.054 0.000 0.893 347 R CB -0.037 30.288 30.300 0.042 0.000 1.233 347 R HN 0.069 nan 8.270 nan 0.000 0.464 348 P HA 0.034 nan 4.420 nan 0.000 0.266 348 P C 0.666 177.959 177.300 -0.013 0.000 1.186 348 P CA 1.720 64.823 63.100 0.005 0.000 0.767 348 P CB 0.500 32.202 31.700 0.005 0.000 0.820 349 G N 0.284 109.067 108.800 -0.027 0.000 2.258 349 G HA2 -0.306 3.652 3.960 -0.003 0.000 0.233 349 G HA3 -0.306 3.652 3.960 -0.003 0.000 0.233 349 G C 1.027 175.878 174.900 -0.082 0.000 1.006 349 G CA 0.186 45.260 45.100 -0.044 0.000 0.620 349 G HN 0.399 nan 8.290 nan 0.000 0.511 350 V N 0.995 120.839 119.914 -0.118 0.000 2.295 350 V HA -0.118 4.000 4.120 -0.003 0.000 0.246 350 V C 2.681 178.612 176.094 -0.272 0.000 1.049 350 V CA 2.329 64.491 62.300 -0.230 0.000 1.024 350 V CB -0.592 30.995 31.823 -0.393 0.000 0.648 350 V HN 0.430 nan 8.190 nan 0.000 0.447 351 L N 0.146 121.247 121.223 -0.203 0.000 2.017 351 L HA -0.155 4.183 4.340 -0.003 0.000 0.208 351 L C 2.504 179.316 176.870 -0.097 0.000 1.073 351 L CA 2.473 57.231 54.840 -0.136 0.000 0.745 351 L CB -1.116 40.919 42.059 -0.041 0.000 0.894 351 L HN 0.363 nan 8.230 nan 0.000 0.432 352 T N -0.239 114.270 114.554 -0.075 0.000 2.720 352 T HA -0.181 4.167 4.350 -0.003 0.000 0.268 352 T C 1.868 176.526 174.700 -0.069 0.000 1.037 352 T CA 1.399 63.468 62.100 -0.052 0.000 1.144 352 T CB -0.517 68.328 68.868 -0.039 0.000 0.864 352 T HN 0.512 nan 8.240 nan 0.000 0.444 353 A N 0.851 123.611 122.820 -0.100 0.000 1.969 353 A HA 0.089 4.407 4.320 -0.003 0.000 0.218 353 A C 2.264 179.757 177.584 -0.151 0.000 1.169 353 A CA 0.995 52.965 52.037 -0.113 0.000 0.635 353 A CB -0.719 18.213 19.000 -0.113 0.000 0.810 353 A HN 0.509 nan 8.150 nan 0.000 0.445 354 L N -0.351 120.765 121.223 -0.177 0.000 2.027 354 L HA -0.177 4.161 4.340 -0.003 0.000 0.206 354 L C 2.026 178.839 176.870 -0.094 0.000 1.074 354 L CA 1.979 56.704 54.840 -0.192 0.000 0.745 354 L CB -0.391 41.527 42.059 -0.236 0.000 0.898 354 L HN 0.478 nan 8.230 nan 0.000 0.433 355 N N -0.615 118.086 118.700 0.001 0.000 2.396 355 N HA -0.206 4.532 4.740 -0.003 0.000 0.180 355 N C 1.653 177.199 175.510 0.061 0.000 1.028 355 N CA 0.671 53.796 53.050 0.125 0.000 0.893 355 N CB 0.035 38.572 38.487 0.084 0.000 0.967 355 N HN 0.297 nan 8.380 nan 0.000 0.440 356 K N 1.416 121.790 120.400 -0.043 0.000 2.155 356 K HA -0.029 4.289 4.320 -0.003 0.000 0.203 356 K C 1.766 178.290 176.600 -0.127 0.000 1.052 356 K CA 0.677 56.929 56.287 -0.059 0.000 0.948 356 K CB 0.039 32.500 32.500 -0.065 0.000 0.728 356 K HN 0.103 nan 8.250 nan 0.000 0.448 357 I N 0.784 121.189 120.570 -0.276 0.000 2.194 357 I HA -0.319 3.849 4.170 -0.003 0.000 0.246 357 I C 1.693 177.553 176.117 -0.429 0.000 1.093 357 I CA 1.486 62.521 61.300 -0.442 0.000 1.355 357 I CB -0.220 37.343 38.000 -0.727 0.000 1.046 357 I HN 0.114 nan 8.210 nan 0.000 0.413 358 F N 0.249 120.187 119.950 -0.021 0.000 2.147 358 F HA 0.028 4.553 4.527 -0.003 0.000 0.291 358 F C 2.587 178.379 175.800 -0.013 0.000 1.093 358 F CA 0.887 58.878 58.000 -0.015 0.000 1.263 358 F CB -1.398 37.592 39.000 -0.016 0.000 1.036 358 F HN -0.065 nan 8.300 nan 0.000 0.481 359 A N 0.926 123.839 122.820 0.155 0.000 1.884 359 A HA -0.296 4.022 4.320 -0.003 0.000 0.219 359 A C 2.169 179.780 177.584 0.044 0.000 1.197 359 A CA 2.285 54.371 52.037 0.081 0.000 0.637 359 A CB -1.247 17.784 19.000 0.053 0.000 0.827 359 A HN 0.592 nan 8.150 nan 0.000 0.450 360 E N 0.239 120.447 120.200 0.013 0.000 2.265 360 E HA -0.254 4.094 4.350 -0.003 0.000 0.196 360 E C 1.564 178.168 176.600 0.006 0.000 0.996 360 E CA 1.224 57.623 56.400 -0.001 0.000 0.832 360 E CB -0.373 29.313 29.700 -0.023 0.000 0.756 360 E HN 0.914 nan 8.360 nan 0.000 0.491 361 Q N -0.039 119.773 119.800 0.020 0.000 2.204 361 Q HA 0.280 4.618 4.340 -0.003 0.000 0.209 361 Q C 0.884 176.911 176.000 0.046 0.000 0.861 361 Q CA 0.143 55.963 55.803 0.028 0.000 0.971 361 Q CB 0.670 29.422 28.738 0.025 0.000 1.095 361 Q HN 0.281 nan 8.270 nan 0.000 0.486 362 G N 0.594 109.424 108.800 0.050 0.000 2.153 362 G HA2 -0.254 3.704 3.960 -0.003 0.000 0.252 362 G HA3 -0.254 3.704 3.960 -0.003 0.000 0.252 362 G C -0.021 174.913 174.900 0.057 0.000 0.994 362 G CA 0.205 45.332 45.100 0.045 0.000 0.698 362 G HN 0.300 nan 8.290 nan 0.000 0.521 363 V N 0.735 120.707 119.914 0.096 0.000 2.406 363 V HA 0.375 4.493 4.120 -0.003 0.000 0.272 363 V C 0.698 176.821 176.094 0.048 0.000 1.043 363 V CA -0.680 61.674 62.300 0.091 0.000 0.915 363 V CB 1.420 33.351 31.823 0.181 0.000 0.988 363 V HN 0.423 nan 8.190 nan 0.000 0.466 364 N N 4.381 123.079 118.700 -0.003 0.000 2.470 364 N HA 0.281 5.019 4.740 -0.003 0.000 0.268 364 N C -0.537 174.921 175.510 -0.087 0.000 1.136 364 N CA -0.051 52.984 53.050 -0.026 0.000 0.961 364 N CB 0.506 38.981 38.487 -0.019 0.000 1.067 364 N HN 0.589 nan 8.380 nan 0.000 0.468 365 I N 2.818 123.339 120.570 -0.081 0.000 2.342 365 I HA 0.216 4.384 4.170 -0.003 0.000 0.291 365 I C 1.033 177.118 176.117 -0.053 0.000 1.010 365 I CA -0.294 60.932 61.300 -0.122 0.000 1.308 365 I CB 1.478 39.425 38.000 -0.088 0.000 1.400 365 I HN 0.678 nan 8.210 nan 0.000 0.488 366 A N 5.352 128.149 122.820 -0.039 0.000 1.942 366 A HA 0.681 4.998 4.320 -0.003 0.000 0.209 366 A C 0.886 178.537 177.584 0.112 0.000 1.214 366 A CA 0.744 52.819 52.037 0.063 0.000 0.686 366 A CB 0.218 19.261 19.000 0.071 0.000 0.871 366 A HN 0.720 nan 8.150 nan 0.000 0.460 367 A N -1.257 121.613 122.820 0.084 0.000 2.587 367 A HA 0.715 5.033 4.320 -0.003 0.000 0.293 367 A C -0.970 176.627 177.584 0.021 0.000 1.087 367 A CA -0.307 51.758 52.037 0.047 0.000 0.692 367 A CB 1.214 20.255 19.000 0.068 0.000 1.291 367 A HN 0.436 nan 8.150 nan 0.000 0.407 368 Q N 0.161 119.972 119.800 0.018 0.000 2.378 368 Q HA 0.518 4.856 4.340 -0.003 0.000 0.262 368 Q C -2.532 173.518 176.000 0.084 0.000 0.978 368 Q CA -0.434 55.394 55.803 0.041 0.000 0.918 368 Q CB 1.696 30.448 28.738 0.025 0.000 1.415 368 Q HN 0.895 nan 8.270 nan 0.000 0.409 369 Y N 4.421 124.700 120.300 -0.035 0.000 2.329 369 Y HA 0.579 5.127 4.550 -0.004 0.000 0.328 369 Y C -1.871 173.995 175.900 -0.056 0.000 0.992 369 Y CA -1.225 56.856 58.100 -0.032 0.000 1.151 369 Y CB 1.481 39.925 38.460 -0.026 0.000 1.150 369 Y HN 0.688 nan 8.280 nan 0.000 0.450 370 L N 6.154 127.594 121.223 0.362 0.000 2.356 370 L HA 0.574 4.912 4.340 -0.003 0.000 0.277 370 L C -1.363 175.643 176.870 0.227 0.000 0.996 370 L CA -0.227 54.725 54.840 0.186 0.000 0.822 370 L CB 1.808 43.963 42.059 0.160 0.000 1.256 370 L HN 0.719 nan 8.230 nan 0.000 0.413 371 Q N 2.301 122.167 119.800 0.109 0.000 2.433 371 Q HA 0.842 5.180 4.340 -0.003 0.000 0.279 371 Q C -1.188 174.847 176.000 0.058 0.000 1.105 371 Q CA -0.295 55.574 55.803 0.109 0.000 0.815 371 Q CB 2.304 31.086 28.738 0.073 0.000 1.403 371 Q HN 0.814 nan 8.270 nan 0.000 0.435 372 T N -1.224 113.354 114.554 0.041 0.000 2.906 372 T HA 0.824 5.172 4.350 -0.003 0.000 0.295 372 T C -0.313 174.371 174.700 -0.027 0.000 1.061 372 T CA -0.400 61.697 62.100 -0.004 0.000 1.000 372 T CB 1.285 70.166 68.868 0.022 0.000 1.103 372 T HN 0.668 nan 8.240 nan 0.000 0.486 373 S N 0.816 116.472 115.700 -0.074 0.000 2.767 373 S HA 0.693 5.161 4.470 -0.003 0.000 0.300 373 S C 1.930 176.502 174.600 -0.046 0.000 1.123 373 S CA -0.436 57.724 58.200 -0.068 0.000 0.992 373 S CB 0.727 63.856 63.200 -0.120 0.000 1.138 373 S HN 1.348 nan 8.310 nan 0.000 0.550 374 A N -0.101 122.698 122.820 -0.036 0.000 2.042 374 A HA -0.178 4.140 4.320 -0.003 0.000 0.222 374 A C 2.054 179.624 177.584 -0.023 0.000 1.167 374 A CA 2.295 54.319 52.037 -0.022 0.000 0.649 374 A CB -0.920 18.068 19.000 -0.020 0.000 0.809 374 A HN 0.946 nan 8.150 nan 0.000 0.457 375 Q N -3.424 116.349 119.800 -0.044 0.000 2.123 375 Q HA 0.452 4.790 4.340 -0.003 0.000 0.244 375 Q C 0.162 176.129 176.000 -0.055 0.000 0.769 375 Q CA -0.100 55.680 55.803 -0.040 0.000 0.938 375 Q CB 0.358 29.069 28.738 -0.045 0.000 1.170 375 Q HN 0.587 nan 8.270 nan 0.000 0.469 376 M N 0.364 119.903 119.600 -0.101 0.000 2.518 376 M HA 0.693 5.171 4.480 -0.003 0.000 0.300 376 M C -1.277 174.908 176.300 -0.192 0.000 1.175 376 M CA -0.735 54.468 55.300 -0.161 0.000 0.890 376 M CB 2.319 34.760 32.600 -0.266 0.000 1.710 376 M HN 0.153 nan 8.290 nan 0.000 0.453 377 G N 2.162 110.775 108.800 -0.312 0.000 2.416 377 G HA2 0.586 4.544 3.960 -0.003 0.000 0.329 377 G HA3 0.586 4.544 3.960 -0.003 0.000 0.329 377 G C -2.538 172.043 174.900 -0.530 0.000 1.173 377 G CA -0.183 44.658 45.100 -0.432 0.000 0.929 377 G HN 0.650 nan 8.290 nan 0.000 0.475 378 Y N 2.154 122.258 120.300 -0.326 0.000 2.361 378 Y HA 0.659 5.206 4.550 -0.004 0.000 0.337 378 Y C -1.299 174.623 175.900 0.036 0.000 0.965 378 Y CA -1.598 56.418 58.100 -0.139 0.000 1.091 378 Y CB 2.104 40.524 38.460 -0.068 0.000 1.182 378 Y HN 0.554 nan 8.280 nan 0.000 0.450 379 V N 7.362 127.121 119.914 -0.259 0.000 2.733 379 V HA 0.696 4.814 4.120 -0.003 0.000 0.306 379 V C -1.715 174.224 176.094 -0.260 0.000 1.084 379 V CA -0.604 61.566 62.300 -0.218 0.000 0.905 379 V CB 2.034 33.917 31.823 0.100 0.000 1.010 379 V HN 0.608 nan 8.190 nan 0.000 0.424 380 V N 7.446 127.210 119.914 -0.250 0.000 2.532 380 V HA 0.647 4.765 4.120 -0.003 0.000 0.295 380 V C -0.178 175.904 176.094 -0.021 0.000 1.041 380 V CA -0.492 61.733 62.300 -0.124 0.000 0.926 380 V CB 1.694 33.447 31.823 -0.116 0.000 0.992 380 V HN 0.716 nan 8.190 nan 0.000 0.457 381 I N 2.278 122.834 120.570 -0.024 0.000 2.656 381 I HA 0.468 4.636 4.170 -0.003 0.000 0.292 381 I C -1.580 174.477 176.117 -0.101 0.000 1.144 381 I CA -0.643 60.629 61.300 -0.046 0.000 1.038 381 I CB 2.542 40.505 38.000 -0.063 0.000 1.244 381 I HN 0.455 nan 8.210 nan 0.000 0.420 382 D N 6.260 126.608 120.400 -0.086 0.000 2.256 382 D HA 0.637 5.275 4.640 -0.003 0.000 0.240 382 D C -0.416 175.768 176.300 -0.194 0.000 1.062 382 D CA -0.064 53.868 54.000 -0.112 0.000 0.832 382 D CB 2.293 43.104 40.800 0.017 0.000 1.135 382 D HN 0.501 nan 8.370 nan 0.000 0.484 383 I N -2.339 118.072 120.570 -0.265 0.000 2.846 383 I HA 0.526 4.694 4.170 -0.003 0.000 0.307 383 I C -0.445 175.554 176.117 -0.196 0.000 1.053 383 I CA -0.903 60.203 61.300 -0.324 0.000 1.050 383 I CB 2.233 39.886 38.000 -0.578 0.000 1.239 383 I HN -0.015 nan 8.210 nan 0.000 0.439 384 E N 3.899 124.008 120.200 -0.151 0.000 2.079 384 E HA 0.665 5.013 4.350 -0.003 0.000 0.252 384 E C -0.772 175.794 176.600 -0.056 0.000 0.992 384 E CA -0.516 55.829 56.400 -0.092 0.000 0.829 384 E CB 1.217 30.875 29.700 -0.070 0.000 1.158 384 E HN 0.757 nan 8.360 nan 0.000 0.435 385 A N 2.744 125.537 122.820 -0.045 0.000 2.604 385 A HA 0.345 4.663 4.320 -0.003 0.000 0.295 385 A C -0.808 176.778 177.584 0.003 0.000 1.067 385 A CA -0.982 51.051 52.037 -0.006 0.000 0.683 385 A CB 1.198 20.212 19.000 0.024 0.000 1.281 385 A HN 0.340 nan 8.150 nan 0.000 0.407 386 D N 0.359 120.768 120.400 0.015 0.000 2.351 386 D HA -0.066 4.572 4.640 -0.003 0.000 0.232 386 D C 1.293 177.608 176.300 0.025 0.000 1.275 386 D CA 0.754 54.766 54.000 0.019 0.000 0.882 386 D CB 0.550 41.364 40.800 0.023 0.000 1.221 386 D HN 0.694 nan 8.370 nan 0.000 0.485 387 E N 0.235 120.450 120.200 0.026 0.000 2.072 387 E HA -0.189 4.159 4.350 -0.003 0.000 0.191 387 E C 1.008 177.629 176.600 0.035 0.000 0.985 387 E CA 0.943 57.362 56.400 0.031 0.000 0.801 387 E CB 0.168 29.886 29.700 0.030 0.000 0.750 387 E HN 0.385 nan 8.360 nan 0.000 0.452 388 D N 0.235 120.654 120.400 0.032 0.000 2.116 388 D HA -0.172 4.466 4.640 -0.003 0.000 0.193 388 D C 2.103 178.427 176.300 0.041 0.000 0.998 388 D CA 1.404 55.423 54.000 0.032 0.000 0.836 388 D CB -0.082 40.734 40.800 0.027 0.000 0.951 388 D HN 0.143 nan 8.370 nan 0.000 0.449 389 V N 1.764 121.707 119.914 0.047 0.000 2.295 389 V HA -0.232 3.886 4.120 -0.003 0.000 0.246 389 V C 2.635 178.786 176.094 0.096 0.000 1.049 389 V CA 1.762 64.102 62.300 0.067 0.000 1.024 389 V CB -0.788 31.079 31.823 0.074 0.000 0.648 389 V HN 0.177 nan 8.190 nan 0.000 0.447 390 A N -0.641 122.232 122.820 0.088 0.000 1.978 390 A HA -0.293 4.025 4.320 -0.003 0.000 0.220 390 A C 2.193 179.830 177.584 0.088 0.000 1.170 390 A CA 2.186 54.283 52.037 0.100 0.000 0.636 390 A CB -0.468 18.563 19.000 0.052 0.000 0.810 390 A HN 0.623 nan 8.150 nan 0.000 0.448 391 E N -0.281 119.957 120.200 0.064 0.000 2.046 391 E HA -0.134 4.214 4.350 -0.003 0.000 0.190 391 E C 2.010 178.638 176.600 0.047 0.000 0.982 391 E CA 1.171 57.602 56.400 0.053 0.000 0.800 391 E CB 0.037 29.763 29.700 0.042 0.000 0.756 391 E HN 0.446 nan 8.360 nan 0.000 0.449 392 K N 0.263 120.687 120.400 0.041 0.000 2.057 392 K HA -0.072 4.246 4.320 -0.003 0.000 0.206 392 K C 2.161 178.768 176.600 0.011 0.000 1.050 392 K CA 0.999 57.299 56.287 0.023 0.000 0.935 392 K CB -0.381 32.128 32.500 0.015 0.000 0.715 392 K HN 0.099 nan 8.250 nan 0.000 0.439 393 A N 2.360 125.198 122.820 0.030 0.000 1.873 393 A HA -0.202 4.116 4.320 -0.003 0.000 0.218 393 A C 2.277 179.874 177.584 0.022 0.000 1.193 393 A CA 1.685 53.718 52.037 -0.005 0.000 0.629 393 A CB -0.818 18.281 19.000 0.165 0.000 0.826 393 A HN 0.253 nan 8.150 nan 0.000 0.447 394 L N -0.593 120.677 121.223 0.078 0.000 2.043 394 L HA -0.250 4.088 4.340 -0.003 0.000 0.212 394 L C 2.421 179.327 176.870 0.060 0.000 1.075 394 L CA 2.894 57.785 54.840 0.085 0.000 0.752 394 L CB -0.862 41.246 42.059 0.081 0.000 0.891 394 L HN 0.477 nan 8.230 nan 0.000 0.432 395 Q N -0.369 119.454 119.800 0.038 0.000 2.050 395 Q HA -0.125 4.213 4.340 -0.003 0.000 0.202 395 Q C 2.192 178.202 176.000 0.016 0.000 0.980 395 Q CA 2.270 58.089 55.803 0.027 0.000 0.840 395 Q CB -0.557 28.192 28.738 0.018 0.000 0.898 395 Q HN 0.659 nan 8.270 nan 0.000 0.424 396 A N -0.291 122.522 122.820 -0.011 0.000 1.873 396 A HA -0.167 4.151 4.320 -0.003 0.000 0.215 396 A C 2.145 179.717 177.584 -0.020 0.000 1.186 396 A CA 1.618 53.633 52.037 -0.036 0.000 0.616 396 A CB -0.583 18.363 19.000 -0.091 0.000 0.823 396 A HN 0.474 nan 8.150 nan 0.000 0.442 397 M N -0.515 119.079 119.600 -0.010 0.000 2.089 397 M HA -0.251 4.227 4.480 -0.003 0.000 0.257 397 M C 2.105 178.503 176.300 0.164 0.000 1.071 397 M CA 2.024 57.364 55.300 0.067 0.000 1.096 397 M CB -0.386 32.303 32.600 0.148 0.000 1.330 397 M HN 0.310 nan 8.290 nan 0.000 0.403 398 K N -0.372 120.100 120.400 0.120 0.000 2.286 398 K HA -0.128 4.190 4.320 -0.003 0.000 0.203 398 K C 1.444 178.093 176.600 0.082 0.000 1.045 398 K CA 1.266 57.612 56.287 0.099 0.000 0.935 398 K CB -0.131 32.406 32.500 0.062 0.000 0.737 398 K HN 0.366 nan 8.250 nan 0.000 0.460 399 A N 0.568 123.425 122.820 0.062 0.000 2.387 399 A HA 0.196 4.514 4.320 -0.003 0.000 0.234 399 A C 0.520 178.129 177.584 0.040 0.000 1.253 399 A CA -0.361 51.701 52.037 0.041 0.000 0.894 399 A CB 0.061 19.071 19.000 0.017 0.000 0.963 399 A HN 0.075 nan 8.150 nan 0.000 0.508 400 I N 2.282 122.892 120.570 0.066 0.000 2.618 400 I HA 0.109 4.277 4.170 -0.003 0.000 0.284 400 I C -2.066 174.087 176.117 0.060 0.000 1.146 400 I CA -1.706 59.616 61.300 0.037 0.000 1.425 400 I CB 0.806 38.806 38.000 0.001 0.000 1.383 400 I HN 0.076 nan 8.210 nan 0.000 0.562 401 P HA 0.007 nan 4.420 nan 0.000 0.262 401 P C 0.791 178.121 177.300 0.050 0.000 1.182 401 P CA 0.634 63.753 63.100 0.030 0.000 0.761 401 P CB 0.588 32.293 31.700 0.009 0.000 0.795 402 G N 1.752 110.592 108.800 0.068 0.000 2.194 402 G HA2 -0.222 3.736 3.960 -0.003 0.000 0.236 402 G HA3 -0.222 3.736 3.960 -0.003 0.000 0.236 402 G C 0.388 175.381 174.900 0.155 0.000 0.987 402 G CA -0.018 45.139 45.100 0.096 0.000 0.635 402 G HN 0.613 nan 8.290 nan 0.000 0.520 403 T N 0.830 115.484 114.554 0.167 0.000 2.908 403 T HA 0.366 4.714 4.350 -0.003 0.000 0.301 403 T C 1.854 176.575 174.700 0.035 0.000 1.019 403 T CA 0.798 62.981 62.100 0.138 0.000 1.152 403 T CB 0.819 69.771 68.868 0.139 0.000 0.966 403 T HN 0.276 nan 8.240 nan 0.000 0.540 404 I N 1.995 122.548 120.570 -0.028 0.000 3.339 404 I HA 0.273 4.441 4.170 -0.003 0.000 0.285 404 I C 1.222 177.311 176.117 -0.046 0.000 1.201 404 I CA 0.272 61.556 61.300 -0.028 0.000 1.434 404 I CB 0.303 38.291 38.000 -0.020 0.000 1.152 404 I HN 0.456 nan 8.210 nan 0.000 0.443 405 R N 0.561 120.997 120.500 -0.106 0.000 2.824 405 R HA 0.606 4.944 4.340 -0.003 0.000 0.267 405 R C -2.230 174.023 176.300 -0.078 0.000 1.035 405 R CA -0.343 55.726 56.100 -0.052 0.000 0.887 405 R CB 1.448 31.748 30.300 -0.001 0.000 1.262 405 R HN -0.005 nan 8.270 nan 0.000 0.487 406 A N 2.743 125.565 122.820 0.005 0.000 2.606 406 A HA 0.838 5.156 4.320 -0.003 0.000 0.293 406 A C -1.637 176.000 177.584 0.088 0.000 1.082 406 A CA -0.721 51.355 52.037 0.064 0.000 0.685 406 A CB 2.230 21.297 19.000 0.112 0.000 1.284 406 A HN 0.724 nan 8.150 nan 0.000 0.408 407 R N 0.392 120.957 120.500 0.108 0.000 2.561 407 R HA 0.467 4.805 4.340 -0.003 0.000 0.266 407 R C -2.329 174.013 176.300 0.069 0.000 1.091 407 R CA -0.710 55.440 56.100 0.083 0.000 0.927 407 R CB 1.425 31.771 30.300 0.077 0.000 1.240 407 R HN 0.828 nan 8.270 nan 0.000 0.449 408 L N 5.973 127.229 121.223 0.054 0.000 2.270 408 L HA 0.284 4.622 4.340 -0.003 0.000 0.286 408 L C -0.057 176.823 176.870 0.016 0.000 1.059 408 L CA -0.031 54.825 54.840 0.026 0.000 0.839 408 L CB 0.941 43.022 42.059 0.038 0.000 1.221 408 L HN 0.859 nan 8.230 nan 0.000 0.431 409 L N 5.976 127.178 121.223 -0.035 0.000 2.046 409 L HA -0.008 4.330 4.340 -0.003 0.000 0.208 409 L C 0.034 177.001 176.870 0.161 0.000 1.077 409 L CA 1.671 56.528 54.840 0.028 0.000 0.747 409 L CB -0.741 41.303 42.059 -0.025 0.000 0.896 409 L HN 0.817 nan 8.230 nan 0.000 0.432 410 Y N 0.000 120.318 120.300 0.030 0.000 2.660 410 Y HA 0.000 4.548 4.550 -0.003 0.000 0.201 410 Y CA 0.000 58.112 58.100 0.020 0.000 1.940 410 Y CB 0.000 38.469 38.460 0.015 0.000 1.050 410 Y HN 0.000 nan 8.280 nan 0.000 0.758