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 1ir1_1_C DATA FIRST_RESID 12 DATA SEQUENCE EFKAGVKDYK LTYYTPEYET LDTDILAAFR VSPQPGVPPE EAGAAVAAES DATA SEQUENCE STGTWTTVWT DGLTNLDRYK GRCYHIEPVA GEENQYICYV AYPLDLFEEG DATA SEQUENCE SVTNMFTSIV GNVFGFKALR ALRLEDLRIP VAYVKTFQGP PHGIQVERDK DATA SEQUENCE LNKYGRPLLG CTIKPKLGLS AKNYGRAVYE CLRGGLDFTX DDENVNSQPF DATA SEQUENCE MRWRDRFLFC AEALYKAQAE TGEIKGHYLN ATAGTCEDMM KRAVFARELG DATA SEQUENCE VPIVMHDYLT GGFTANTTLS HYCRDNGLLL HIHRAMHAVI DRQKNHGMHF DATA SEQUENCE RVLAKALRLS GGDHIHSGTV VGKLEGERDI TLGFVDLLRD DYTEKDRSRG DATA SEQUENCE IYFTQSWVST PGVLPVASGG IHVWHMPALT EIFGDDSVLQ FGGGTLGHPW DATA SEQUENCE GNAPGAVANR VALEACVQAR NEGRDLAREG NTIIREATKW SPELAAACEV DATA SEQUENCE WKEIKFEFPA MDTV 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 12 E HA 0.000 nan 4.350 nan 0.000 0.291 12 E C 0.000 176.695 176.600 0.159 0.000 1.382 12 E CA 0.000 56.459 56.400 0.097 0.000 0.976 12 E CB 0.000 29.728 29.700 0.046 0.000 0.812 13 F N 2.969 122.940 119.950 0.035 0.000 2.424 13 F HA 0.476 5.003 4.527 0.000 0.000 0.356 13 F C -0.360 175.456 175.800 0.027 0.000 1.110 13 F CA -0.469 57.562 58.000 0.052 0.000 1.161 13 F CB 0.640 39.696 39.000 0.093 0.000 1.115 13 F HN 0.223 nan 8.300 nan 0.000 0.507 14 K N 5.858 125.939 120.400 -0.532 0.000 2.521 14 K HA 0.662 4.982 4.320 -0.000 0.000 0.248 14 K C -0.821 175.349 176.600 -0.717 0.000 0.978 14 K CA -0.437 55.522 56.287 -0.546 0.000 0.947 14 K CB 0.904 33.268 32.500 -0.226 0.000 1.165 14 K HN 0.702 nan 8.250 nan 0.000 0.445 15 A N 2.604 124.875 122.820 -0.915 0.000 2.466 15 A HA 0.600 4.920 4.320 -0.000 0.000 0.238 15 A C 0.545 177.978 177.584 -0.253 0.000 1.074 15 A CA 0.903 52.618 52.037 -0.536 0.000 0.774 15 A CB -0.306 18.500 19.000 -0.325 0.000 1.015 15 A HN 1.149 nan 8.150 nan 0.000 0.498 16 G N -1.043 107.659 108.800 -0.162 0.000 2.362 16 G HA2 0.380 4.340 3.960 -0.000 0.000 0.656 16 G HA3 0.380 4.340 3.960 -0.000 0.000 0.656 16 G C -1.040 173.788 174.900 -0.121 0.000 1.376 16 G CA -0.420 44.609 45.100 -0.117 0.000 0.971 16 G HN 1.394 nan 8.290 nan 0.000 0.636 17 V N 1.004 120.871 119.914 -0.078 0.000 2.509 17 V HA 0.730 4.850 4.120 -0.000 0.000 0.284 17 V C 0.442 176.497 176.094 -0.064 0.000 1.047 17 V CA 0.375 62.632 62.300 -0.072 0.000 0.952 17 V CB 1.267 33.108 31.823 0.031 0.000 0.988 17 V HN 1.140 nan 8.190 nan 0.000 0.469 18 K N 1.909 122.252 120.400 -0.095 0.000 2.512 18 K HA 0.597 4.917 4.320 -0.000 0.000 0.263 18 K C -1.432 175.101 176.600 -0.112 0.000 0.966 18 K CA -1.047 55.196 56.287 -0.073 0.000 0.851 18 K CB 1.342 33.813 32.500 -0.049 0.000 1.395 18 K HN 0.340 nan 8.250 nan 0.000 0.440 19 D N 1.207 121.574 120.400 -0.054 0.000 2.472 19 D HA -0.038 4.602 4.640 -0.000 0.000 0.237 19 D C 0.429 176.741 176.300 0.020 0.000 1.141 19 D CA 0.323 54.307 54.000 -0.028 0.000 0.875 19 D CB 0.204 41.022 40.800 0.029 0.000 1.192 19 D HN 0.505 nan 8.370 nan 0.000 0.450 20 Y N 1.222 121.577 120.300 0.092 0.000 2.224 20 Y HA -0.207 4.343 4.550 0.000 0.000 0.289 20 Y C 2.378 178.401 175.900 0.205 0.000 1.146 20 Y CA 1.287 59.480 58.100 0.155 0.000 1.182 20 Y CB -0.288 38.194 38.460 0.036 0.000 0.983 20 Y HN 0.469 nan 8.280 nan 0.000 0.524 21 K N -0.283 120.283 120.400 0.275 0.000 2.281 21 K HA -0.176 4.144 4.320 -0.000 0.000 0.203 21 K C 1.508 178.233 176.600 0.208 0.000 1.046 21 K CA 1.481 57.907 56.287 0.231 0.000 0.938 21 K CB -0.514 32.053 32.500 0.111 0.000 0.737 21 K HN 0.192 nan 8.250 nan 0.000 0.458 22 L N 1.515 122.825 121.223 0.146 0.000 2.201 22 L HA -0.066 4.274 4.340 -0.000 0.000 0.212 22 L C 1.746 178.637 176.870 0.036 0.000 1.105 22 L CA 1.624 56.513 54.840 0.082 0.000 0.775 22 L CB -0.388 41.700 42.059 0.049 0.000 0.913 22 L HN 0.347 nan 8.230 nan 0.000 0.440 23 T N -3.833 110.738 114.554 0.028 0.000 2.989 23 T HA 0.081 4.431 4.350 -0.000 0.000 0.250 23 T C 1.038 175.527 174.700 -0.352 0.000 0.981 23 T CA 0.149 62.130 62.100 -0.199 0.000 0.980 23 T CB 0.062 68.718 68.868 -0.354 0.000 1.133 23 T HN 0.059 nan 8.240 nan 0.000 0.489 24 Y N 0.048 120.398 120.300 0.082 0.000 2.458 24 Y HA 0.403 4.953 4.550 -0.000 0.000 0.256 24 Y C 0.052 176.012 175.900 0.100 0.000 1.159 24 Y CA -0.999 57.135 58.100 0.057 0.000 1.261 24 Y CB 0.350 38.838 38.460 0.048 0.000 1.119 24 Y HN 0.185 nan 8.280 nan 0.000 0.524 25 Y N 2.058 122.412 120.300 0.090 0.000 2.417 25 Y HA 0.419 4.969 4.550 -0.000 0.000 0.336 25 Y C -0.124 175.805 175.900 0.048 0.000 0.961 25 Y CA -1.685 56.452 58.100 0.062 0.000 1.215 25 Y CB 0.662 39.150 38.460 0.046 0.000 1.120 25 Y HN 0.025 nan 8.280 nan 0.000 0.499 26 T N 5.714 120.089 114.554 -0.298 0.000 3.327 26 T HA 0.274 4.624 4.350 -0.000 0.000 0.373 26 T C -2.281 172.287 174.700 -0.219 0.000 1.589 26 T CA -1.875 60.071 62.100 -0.257 0.000 1.497 26 T CB 1.169 69.970 68.868 -0.112 0.000 1.032 26 T HN 0.478 nan 8.240 nan 0.000 0.640 27 P HA -0.105 nan 4.420 nan 0.000 0.228 27 P C 0.984 178.287 177.300 0.006 0.000 1.151 27 P CA 0.960 63.944 63.100 -0.194 0.000 0.770 27 P CB 0.334 31.864 31.700 -0.283 0.000 0.786 28 E N -0.945 119.252 120.200 -0.004 0.000 2.474 28 E HA -0.071 4.279 4.350 -0.000 0.000 0.195 28 E C 0.071 176.710 176.600 0.064 0.000 1.039 28 E CA -0.779 55.637 56.400 0.027 0.000 0.881 28 E CB -1.091 28.611 29.700 0.003 0.000 0.970 28 E HN 0.236 nan 8.360 nan 0.000 0.486 29 Y N 2.644 122.923 120.300 -0.035 0.000 2.442 29 Y HA 0.135 4.685 4.550 0.000 0.000 0.330 29 Y C -0.148 175.684 175.900 -0.113 0.000 1.129 29 Y CA -0.360 57.700 58.100 -0.067 0.000 1.365 29 Y CB 0.583 39.005 38.460 -0.062 0.000 1.233 29 Y HN -0.114 nan 8.280 nan 0.000 0.529 30 E N 4.326 124.100 120.200 -0.709 0.000 2.134 30 E HA 0.190 4.540 4.350 -0.000 0.000 0.278 30 E C -0.245 175.690 176.600 -1.108 0.000 0.959 30 E CA -0.694 55.317 56.400 -0.648 0.000 0.783 30 E CB 0.786 30.257 29.700 -0.382 0.000 1.095 30 E HN 0.722 nan 8.360 nan 0.000 0.399 31 T N 0.867 114.916 114.554 -0.841 0.000 2.900 31 T HA 0.239 4.589 4.350 -0.000 0.000 0.307 31 T C 0.374 174.846 174.700 -0.381 0.000 1.065 31 T CA -0.469 61.244 62.100 -0.644 0.000 1.105 31 T CB 0.476 69.088 68.868 -0.427 0.000 0.979 31 T HN 0.251 nan 8.240 nan 0.000 0.544 32 L N 1.862 122.955 121.223 -0.216 0.000 2.360 32 L HA 0.345 4.685 4.340 -0.000 0.000 0.271 32 L C 1.072 177.894 176.870 -0.080 0.000 1.057 32 L CA -1.037 53.731 54.840 -0.120 0.000 0.803 32 L CB 0.844 42.876 42.059 -0.046 0.000 1.207 32 L HN 0.676 nan 8.230 nan 0.000 0.445 33 D N -0.101 120.261 120.400 -0.062 0.000 2.350 33 D HA -0.102 4.538 4.640 -0.000 0.000 0.216 33 D C 1.680 177.962 176.300 -0.030 0.000 0.968 33 D CA 1.306 55.279 54.000 -0.045 0.000 0.894 33 D CB 0.137 40.917 40.800 -0.032 0.000 0.909 33 D HN 0.729 nan 8.370 nan 0.000 0.520 34 T N -2.688 111.857 114.554 -0.015 0.000 3.040 34 T HA 0.038 4.388 4.350 -0.000 0.000 0.250 34 T C 0.543 175.251 174.700 0.014 0.000 1.058 34 T CA -0.489 61.615 62.100 0.007 0.000 0.988 34 T CB 0.512 69.394 68.868 0.024 0.000 0.993 34 T HN -0.226 nan 8.240 nan 0.000 0.519 35 D N 1.410 121.816 120.400 0.011 0.000 2.339 35 D HA 0.347 4.987 4.640 -0.000 0.000 0.245 35 D C -0.061 176.234 176.300 -0.008 0.000 1.115 35 D CA -0.412 53.616 54.000 0.047 0.000 0.917 35 D CB 1.083 41.925 40.800 0.070 0.000 1.192 35 D HN 0.315 nan 8.370 nan 0.000 0.428 36 I N 2.147 122.740 120.570 0.038 0.000 2.315 36 I HA 0.174 4.344 4.170 -0.000 0.000 0.291 36 I C -0.125 176.034 176.117 0.070 0.000 1.006 36 I CA -0.512 60.746 61.300 -0.071 0.000 1.265 36 I CB 0.668 38.505 38.000 -0.273 0.000 1.387 36 I HN 0.031 nan 8.210 nan 0.000 0.475 37 L N 6.400 127.539 121.223 -0.140 0.000 2.325 37 L HA 0.777 5.117 4.340 -0.000 0.000 0.278 37 L C -0.033 176.732 176.870 -0.176 0.000 1.023 37 L CA -0.592 54.161 54.840 -0.145 0.000 0.811 37 L CB 1.721 43.489 42.059 -0.485 0.000 1.249 37 L HN 0.603 nan 8.230 nan 0.000 0.431 38 A N 2.154 125.083 122.820 0.183 0.000 2.386 38 A HA 0.873 5.193 4.320 -0.000 0.000 0.311 38 A C -0.713 176.976 177.584 0.176 0.000 1.068 38 A CA -0.548 51.572 52.037 0.138 0.000 0.743 38 A CB 1.754 20.821 19.000 0.112 0.000 1.258 38 A HN 0.748 nan 8.150 nan 0.000 0.429 39 A N 1.849 124.641 122.820 -0.047 0.000 2.277 39 A HA 0.712 5.032 4.320 -0.000 0.000 0.318 39 A C -1.152 176.120 177.584 -0.520 0.000 1.339 39 A CA -0.271 51.518 52.037 -0.414 0.000 0.875 39 A CB -0.197 18.366 19.000 -0.728 0.000 1.158 39 A HN 0.606 nan 8.150 nan 0.000 0.514 40 F N 1.239 121.023 119.950 -0.278 0.000 2.421 40 F HA 0.490 5.017 4.527 0.000 0.000 0.337 40 F C 0.973 176.642 175.800 -0.219 0.000 1.105 40 F CA -0.320 57.553 58.000 -0.212 0.000 1.049 40 F CB 1.658 40.553 39.000 -0.177 0.000 1.139 40 F HN 0.591 nan 8.300 nan 0.000 0.479 41 R N 3.582 124.099 120.500 0.028 0.000 2.205 41 R HA 0.539 4.879 4.340 -0.000 0.000 0.342 41 R C -1.673 174.645 176.300 0.029 0.000 1.058 41 R CA -0.264 55.842 56.100 0.010 0.000 0.904 41 R CB 0.389 30.695 30.300 0.010 0.000 1.089 41 R HN 0.536 nan 8.270 nan 0.000 0.471 42 V N 3.337 123.274 119.914 0.038 0.000 2.427 42 V HA 0.292 4.412 4.120 -0.000 0.000 0.286 42 V C -0.159 175.984 176.094 0.081 0.000 1.034 42 V CA -0.552 61.757 62.300 0.014 0.000 0.893 42 V CB 1.841 33.646 31.823 -0.030 0.000 0.982 42 V HN 0.726 nan 8.190 nan 0.000 0.452 43 S N 6.407 122.136 115.700 0.049 0.000 2.532 43 S HA 0.443 4.913 4.470 -0.000 0.000 0.256 43 S C -2.608 172.026 174.600 0.056 0.000 1.298 43 S CA -0.971 57.272 58.200 0.072 0.000 1.166 43 S CB 1.190 64.424 63.200 0.057 0.000 1.022 43 S HN 0.569 nan 8.310 nan 0.000 0.480 44 P HA 0.151 nan 4.420 nan 0.000 0.272 44 P C -0.131 177.193 177.300 0.039 0.000 1.230 44 P CA -0.516 62.604 63.100 0.033 0.000 0.788 44 P CB 0.495 32.205 31.700 0.017 0.000 0.949 45 Q N 1.437 121.254 119.800 0.028 0.000 2.368 45 Q HA 0.227 4.567 4.340 -0.000 0.000 0.237 45 Q C -2.059 173.957 176.000 0.027 0.000 0.987 45 Q CA -1.579 54.241 55.803 0.028 0.000 0.896 45 Q CB -0.644 28.110 28.738 0.026 0.000 1.241 45 Q HN 0.305 nan 8.270 nan 0.000 0.485 46 P HA 0.009 nan 4.420 nan 0.000 0.264 46 P C 0.392 177.704 177.300 0.019 0.000 1.193 46 P CA 1.030 64.144 63.100 0.024 0.000 0.763 46 P CB 0.322 32.033 31.700 0.019 0.000 0.810 47 G N 1.424 110.234 108.800 0.017 0.000 2.175 47 G HA2 -0.189 3.771 3.960 -0.000 0.000 0.244 47 G HA3 -0.189 3.771 3.960 -0.000 0.000 0.244 47 G C -0.068 174.834 174.900 0.003 0.000 0.982 47 G CA -0.246 44.861 45.100 0.010 0.000 0.641 47 G HN 0.514 nan 8.290 nan 0.000 0.527 48 V N 2.523 122.437 119.914 0.000 0.000 2.333 48 V HA 0.463 4.583 4.120 -0.000 0.000 0.274 48 V C -1.588 174.472 176.094 -0.055 0.000 1.028 48 V CA -1.597 60.694 62.300 -0.016 0.000 0.851 48 V CB 1.428 33.247 31.823 -0.007 0.000 1.000 48 V HN 0.131 nan 8.190 nan 0.000 0.456 49 P HA 0.132 nan 4.420 nan 0.000 0.267 49 P C -1.806 175.345 177.300 -0.248 0.000 1.200 49 P CA -1.146 61.867 63.100 -0.146 0.000 0.772 49 P CB 0.240 31.861 31.700 -0.131 0.000 0.855 50 P HA -0.169 nan 4.420 nan 0.000 0.220 50 P C 0.838 177.852 177.300 -0.477 0.000 1.148 50 P CA 1.505 64.240 63.100 -0.608 0.000 0.803 50 P CB 0.249 31.200 31.700 -1.248 0.000 0.782 51 E N 0.198 120.105 120.200 -0.488 0.000 2.106 51 E HA -0.185 4.165 4.350 -0.000 0.000 0.192 51 E C 2.107 178.471 176.600 -0.393 0.000 0.984 51 E CA 1.115 57.120 56.400 -0.659 0.000 0.806 51 E CB -0.695 28.511 29.700 -0.823 0.000 0.750 51 E HN 0.256 nan 8.360 nan 0.000 0.458 52 E N 0.456 120.511 120.200 -0.242 0.000 2.072 52 E HA -0.025 4.325 4.350 -0.000 0.000 0.190 52 E C 1.842 178.367 176.600 -0.124 0.000 0.982 52 E CA 1.229 57.569 56.400 -0.100 0.000 0.803 52 E CB -0.320 29.356 29.700 -0.039 0.000 0.755 52 E HN 0.197 nan 8.360 nan 0.000 0.453 53 A N 0.199 122.910 122.820 -0.181 0.000 1.877 53 A HA -0.033 4.287 4.320 -0.000 0.000 0.216 53 A C 2.463 179.879 177.584 -0.280 0.000 1.186 53 A CA 1.787 53.697 52.037 -0.213 0.000 0.620 53 A CB -1.320 17.566 19.000 -0.189 0.000 0.822 53 A HN 0.403 nan 8.150 nan 0.000 0.443 54 G N -0.710 107.938 108.800 -0.254 0.000 2.408 54 G HA2 0.054 4.014 3.960 -0.000 0.000 0.217 54 G HA3 0.054 4.014 3.960 -0.000 0.000 0.217 54 G C 1.683 176.466 174.900 -0.195 0.000 1.150 54 G CA 1.312 46.281 45.100 -0.219 0.000 0.776 54 G HN 0.783 nan 8.290 nan 0.000 0.542 55 A N 1.049 123.786 122.820 -0.138 0.000 1.930 55 A HA 0.368 4.688 4.320 -0.000 0.000 0.217 55 A C 2.768 180.158 177.584 -0.324 0.000 1.175 55 A CA 1.957 53.967 52.037 -0.045 0.000 0.627 55 A CB -0.610 18.470 19.000 0.133 0.000 0.815 55 A HN 0.673 nan 8.150 nan 0.000 0.443 56 A N -0.451 122.052 122.820 -0.528 0.000 1.902 56 A HA 0.011 4.331 4.320 -0.000 0.000 0.217 56 A C 2.211 179.183 177.584 -1.020 0.000 1.181 56 A CA 1.732 53.079 52.037 -1.150 0.000 0.623 56 A CB -0.891 17.548 19.000 -0.934 0.000 0.818 56 A HN 0.357 nan 8.150 nan 0.000 0.443 57 V N -0.101 119.369 119.914 -0.740 0.000 2.295 57 V HA -0.256 3.864 4.120 -0.000 0.000 0.246 57 V C 3.065 178.857 176.094 -0.504 0.000 1.049 57 V CA 1.992 63.872 62.300 -0.700 0.000 1.024 57 V CB -1.250 30.112 31.823 -0.768 0.000 0.648 57 V HN 0.616 nan 8.190 nan 0.000 0.447 58 A N -0.123 122.465 122.820 -0.387 0.000 1.902 58 A HA -0.110 4.210 4.320 -0.000 0.000 0.217 58 A C 2.414 179.793 177.584 -0.343 0.000 1.181 58 A CA 2.184 54.075 52.037 -0.243 0.000 0.623 58 A CB -0.795 18.143 19.000 -0.103 0.000 0.818 58 A HN 0.564 nan 8.150 nan 0.000 0.443 59 A N -0.281 122.097 122.820 -0.737 0.000 1.841 59 A HA -0.129 4.191 4.320 -0.000 0.000 0.214 59 A C 1.787 179.050 177.584 -0.536 0.000 1.195 59 A CA 1.482 52.815 52.037 -1.174 0.000 0.611 59 A CB -0.496 17.602 19.000 -1.505 0.000 0.835 59 A HN 0.462 nan 8.150 nan 0.000 0.443 60 E N 0.563 120.466 120.200 -0.494 0.000 2.516 60 E HA -0.058 4.292 4.350 -0.000 0.000 0.199 60 E C 1.267 177.812 176.600 -0.091 0.000 1.069 60 E CA 0.948 57.216 56.400 -0.221 0.000 0.876 60 E CB -0.179 29.370 29.700 -0.252 0.000 0.843 60 E HN 0.711 nan 8.360 nan 0.000 0.530 61 S N -1.329 114.327 115.700 -0.073 0.000 2.629 61 S HA 0.153 4.623 4.470 -0.000 0.000 0.236 61 S C 1.315 176.017 174.600 0.169 0.000 1.010 61 S CA 0.211 58.464 58.200 0.088 0.000 0.981 61 S CB 0.412 63.727 63.200 0.192 0.000 0.919 61 S HN 0.145 nan 8.310 nan 0.000 0.514 62 S N 1.415 117.172 115.700 0.095 0.000 4.098 62 S HA 0.173 4.643 4.470 -0.000 0.000 0.193 62 S C 1.365 176.000 174.600 0.060 0.000 1.049 62 S CA 0.631 58.904 58.200 0.122 0.000 1.034 62 S CB -0.163 63.167 63.200 0.216 0.000 1.380 62 S HN 0.558 nan 8.310 nan 0.000 0.629 63 T N -1.183 113.423 114.554 0.087 0.000 2.993 63 T HA 0.489 4.839 4.350 -0.000 0.000 0.260 63 T C 0.854 175.617 174.700 0.105 0.000 0.939 63 T CA 0.441 62.600 62.100 0.098 0.000 0.886 63 T CB 0.143 69.112 68.868 0.167 0.000 1.209 63 T HN 0.717 nan 8.240 nan 0.000 0.518 64 G N 0.284 109.127 108.800 0.071 0.000 2.521 64 G HA2 0.586 4.546 3.960 -0.000 0.000 0.323 64 G HA3 0.586 4.546 3.960 -0.000 0.000 0.323 64 G C -0.892 174.075 174.900 0.112 0.000 1.211 64 G CA -0.235 44.929 45.100 0.108 0.000 0.979 64 G HN 0.324 nan 8.290 nan 0.000 0.490 65 T N -1.705 112.952 114.554 0.172 0.000 2.669 65 T HA 0.384 4.734 4.350 -0.000 0.000 0.283 65 T C 0.617 175.488 174.700 0.285 0.000 1.019 65 T CA -0.313 61.935 62.100 0.247 0.000 1.039 65 T CB 0.788 69.748 68.868 0.152 0.000 1.374 65 T HN 0.705 nan 8.240 nan 0.000 0.523 66 W N 0.925 122.334 121.300 0.182 0.000 2.525 66 W HA 0.254 4.913 4.660 -0.000 0.000 0.259 66 W C 0.294 176.795 176.519 -0.030 0.000 1.253 66 W CA 0.703 58.099 57.345 0.085 0.000 1.262 66 W CB -1.161 28.361 29.460 0.103 0.000 1.122 66 W HN 0.556 nan 8.180 nan 0.000 0.607 67 T N 0.689 114.804 114.554 -0.731 0.000 2.864 67 T HA 0.331 4.681 4.350 -0.000 0.000 0.299 67 T C -0.472 174.011 174.700 -0.360 0.000 1.166 67 T CA -0.366 61.324 62.100 -0.683 0.000 1.007 67 T CB 1.741 69.848 68.868 -1.268 0.000 1.219 67 T HN -0.212 nan 8.240 nan 0.000 0.506 68 T N 2.467 116.908 114.554 -0.188 0.000 2.888 68 T HA 0.467 4.817 4.350 -0.000 0.000 0.301 68 T C 0.143 174.918 174.700 0.126 0.000 1.001 68 T CA -0.344 61.755 62.100 -0.001 0.000 1.147 68 T CB 0.162 69.062 68.868 0.053 0.000 0.931 68 T HN 0.680 nan 8.240 nan 0.000 0.541 69 V N 2.631 122.599 119.914 0.091 0.000 2.628 69 V HA 0.501 4.621 4.120 -0.000 0.000 0.306 69 V C 1.085 177.060 176.094 -0.199 0.000 1.045 69 V CA -1.209 61.064 62.300 -0.046 0.000 0.905 69 V CB 1.501 33.194 31.823 -0.216 0.000 0.997 69 V HN 1.045 nan 8.190 nan 0.000 0.436 70 W N 2.308 123.160 121.300 -0.747 0.000 2.425 70 W HA -0.090 4.570 4.660 0.000 0.000 0.277 70 W C 1.436 177.722 176.519 -0.387 0.000 1.231 70 W CA 1.453 58.206 57.345 -0.986 0.000 1.248 70 W CB -1.649 26.928 29.460 -1.473 0.000 1.117 70 W HN 0.768 nan 8.180 nan 0.000 0.568 71 T N -1.075 112.796 114.554 -1.139 0.000 3.025 71 T HA -0.212 4.138 4.350 -0.000 0.000 0.270 71 T C 1.048 175.516 174.700 -0.386 0.000 1.126 71 T CA 1.620 63.139 62.100 -0.970 0.000 1.105 71 T CB -0.570 67.668 68.868 -1.049 0.000 0.884 71 T HN -0.084 nan 8.240 nan 0.000 0.522 72 D N 1.992 122.248 120.400 -0.239 0.000 2.144 72 D HA 0.006 4.646 4.640 -0.000 0.000 0.199 72 D C 2.324 178.602 176.300 -0.038 0.000 0.984 72 D CA 1.288 55.230 54.000 -0.095 0.000 0.834 72 D CB -0.870 39.914 40.800 -0.027 0.000 0.955 72 D HN 0.593 nan 8.370 nan 0.000 0.465 73 G N -0.209 108.587 108.800 -0.007 0.000 2.625 73 G HA2 -0.143 3.817 3.960 -0.000 0.000 0.214 73 G HA3 -0.143 3.817 3.960 -0.000 0.000 0.214 73 G C 1.355 176.281 174.900 0.043 0.000 1.132 73 G CA 0.055 45.183 45.100 0.046 0.000 0.782 73 G HN 0.172 nan 8.290 nan 0.000 0.538 74 L N -0.080 121.147 121.223 0.007 0.000 2.341 74 L HA 0.261 4.601 4.340 -0.000 0.000 0.214 74 L C 1.605 178.482 176.870 0.012 0.000 1.115 74 L CA 0.825 55.673 54.840 0.014 0.000 0.820 74 L CB -0.072 41.967 42.059 -0.033 0.000 0.944 74 L HN 0.195 nan 8.230 nan 0.000 0.452 75 T N -2.067 112.494 114.554 0.011 0.000 2.724 75 T HA 0.307 4.657 4.350 -0.000 0.000 0.274 75 T C -0.657 174.096 174.700 0.089 0.000 0.984 75 T CA -0.711 61.426 62.100 0.061 0.000 1.024 75 T CB 1.256 70.148 68.868 0.041 0.000 1.320 75 T HN -0.054 nan 8.240 nan 0.000 0.555 76 N N 2.267 121.061 118.700 0.156 0.000 2.707 76 N HA 0.235 4.975 4.740 -0.000 0.000 0.235 76 N C 0.608 176.188 175.510 0.116 0.000 1.028 76 N CA -0.448 52.652 53.050 0.084 0.000 0.906 76 N CB 0.496 38.992 38.487 0.016 0.000 1.131 76 N HN 0.471 nan 8.380 nan 0.000 0.509 77 L N 3.039 124.311 121.223 0.082 0.000 2.127 77 L HA -0.061 4.279 4.340 -0.000 0.000 0.211 77 L C 1.021 177.890 176.870 -0.003 0.000 1.089 77 L CA 1.753 56.638 54.840 0.074 0.000 0.757 77 L CB -0.239 41.828 42.059 0.013 0.000 0.899 77 L HN 0.512 nan 8.230 nan 0.000 0.434 78 D N -1.455 118.912 120.400 -0.055 0.000 2.263 78 D HA -0.190 4.450 4.640 -0.000 0.000 0.208 78 D C 2.237 178.461 176.300 -0.127 0.000 0.971 78 D CA 0.817 54.758 54.000 -0.098 0.000 0.867 78 D CB -0.051 40.700 40.800 -0.082 0.000 0.929 78 D HN 0.262 nan 8.370 nan 0.000 0.492 79 R N -0.790 119.599 120.500 -0.185 0.000 2.161 79 R HA -0.043 4.297 4.340 -0.000 0.000 0.213 79 R C 0.854 176.886 176.300 -0.448 0.000 1.055 79 R CA 0.849 56.733 56.100 -0.361 0.000 0.996 79 R CB 0.136 30.104 30.300 -0.554 0.000 0.901 79 R HN 0.252 nan 8.270 nan 0.000 0.456 80 Y N 0.650 120.934 120.300 -0.027 0.000 2.483 80 Y HA 0.161 4.711 4.550 -0.000 0.000 0.258 80 Y C 0.152 176.051 175.900 -0.002 0.000 1.083 80 Y CA -0.323 57.766 58.100 -0.018 0.000 1.283 80 Y CB 0.256 38.704 38.460 -0.021 0.000 1.178 80 Y HN -0.080 nan 8.280 nan 0.000 0.515 81 K N 1.181 121.650 120.400 0.116 0.000 2.436 81 K HA 0.360 4.680 4.320 -0.000 0.000 0.275 81 K C 0.578 177.218 176.600 0.067 0.000 0.999 81 K CA 0.097 56.460 56.287 0.126 0.000 0.980 81 K CB 0.649 33.153 32.500 0.005 0.000 0.919 81 K HN 0.119 nan 8.250 nan 0.000 0.484 82 G N 2.065 110.945 108.800 0.132 0.000 2.507 82 G HA2 0.390 4.350 3.960 -0.000 0.000 0.271 82 G HA3 0.390 4.350 3.960 -0.000 0.000 0.271 82 G C -0.830 174.056 174.900 -0.024 0.000 1.189 82 G CA -1.093 43.964 45.100 -0.073 0.000 0.859 82 G HN 0.819 nan 8.290 nan 0.000 0.542 83 R N -0.510 119.905 120.500 -0.142 0.000 2.566 83 R HA 0.405 4.745 4.340 -0.000 0.000 0.271 83 R C -1.618 174.733 176.300 0.086 0.000 1.071 83 R CA -0.779 55.303 56.100 -0.029 0.000 0.915 83 R CB 0.674 30.861 30.300 -0.188 0.000 1.228 83 R HN 0.485 nan 8.270 nan 0.000 0.449 84 C N 4.963 124.348 119.300 0.141 0.000 2.416 84 C HA 0.312 4.772 4.460 -0.000 0.000 0.355 84 C C 0.738 175.871 174.990 0.238 0.000 1.211 84 C CA -0.475 58.657 59.018 0.190 0.000 1.699 84 C CB -1.548 26.319 27.740 0.211 0.000 2.310 84 C HN 0.919 nan 8.230 nan 0.000 0.539 85 Y N 2.842 123.264 120.300 0.203 0.000 2.449 85 Y HA 0.469 5.019 4.550 -0.000 0.000 0.254 85 Y C 0.731 176.796 175.900 0.275 0.000 1.140 85 Y CA -0.224 57.982 58.100 0.177 0.000 1.272 85 Y CB -0.523 38.090 38.460 0.255 0.000 1.114 85 Y HN 0.779 nan 8.280 nan 0.000 0.525 86 H N 0.077 119.061 119.070 -0.143 0.000 3.079 86 H HA 0.585 5.141 4.556 0.000 0.000 0.356 86 H C -2.008 173.422 175.328 0.170 0.000 1.221 86 H CA -0.952 55.091 56.048 -0.008 0.000 1.185 86 H CB 2.084 31.714 29.762 -0.219 0.000 1.882 86 H HN 0.101 nan 8.280 nan 0.000 0.543 87 I N 3.802 124.123 120.570 -0.414 0.000 2.571 87 I HA 0.179 4.349 4.170 -0.000 0.000 0.289 87 I C -1.020 174.924 176.117 -0.288 0.000 1.115 87 I CA -0.519 60.662 61.300 -0.198 0.000 1.045 87 I CB 2.345 40.286 38.000 -0.099 0.000 1.238 87 I HN 0.554 nan 8.210 nan 0.000 0.424 88 E N 6.600 126.789 120.200 -0.018 0.000 2.292 88 E HA 0.606 4.956 4.350 -0.000 0.000 0.272 88 E C -2.955 173.746 176.600 0.167 0.000 0.881 88 E CA -2.268 54.175 56.400 0.072 0.000 0.754 88 E CB 2.391 32.181 29.700 0.150 0.000 1.201 88 E HN 0.113 nan 8.360 nan 0.000 0.425 89 P HA 0.026 nan 4.420 nan 0.000 0.271 89 P C -0.696 176.568 177.300 -0.059 0.000 1.218 89 P CA -0.421 62.661 63.100 -0.031 0.000 0.780 89 P CB 0.752 32.438 31.700 -0.024 0.000 0.901 90 V N 2.834 122.655 119.914 -0.155 0.000 2.385 90 V HA 0.403 4.523 4.120 -0.000 0.000 0.269 90 V C 0.634 176.684 176.094 -0.074 0.000 1.043 90 V CA -0.619 61.636 62.300 -0.074 0.000 0.906 90 V CB 0.506 32.286 31.823 -0.071 0.000 0.995 90 V HN 0.658 nan 8.190 nan 0.000 0.467 91 A N 4.144 126.945 122.820 -0.032 0.000 2.440 91 A HA 0.573 4.893 4.320 -0.000 0.000 0.251 91 A C 1.419 178.990 177.584 -0.022 0.000 1.089 91 A CA 0.570 52.591 52.037 -0.027 0.000 0.779 91 A CB -0.069 18.924 19.000 -0.011 0.000 1.022 91 A HN 2.050 nan 8.150 nan 0.000 0.492 92 G N 1.083 109.868 108.800 -0.025 0.000 2.175 92 G HA2 -0.146 3.814 3.960 -0.000 0.000 0.244 92 G HA3 -0.146 3.814 3.960 -0.000 0.000 0.244 92 G C -0.061 174.826 174.900 -0.021 0.000 0.982 92 G CA 0.424 45.514 45.100 -0.016 0.000 0.641 92 G HN 0.786 nan 8.290 nan 0.000 0.527 93 E N 0.237 120.411 120.200 -0.043 0.000 2.336 93 E HA 0.507 4.857 4.350 -0.000 0.000 0.267 93 E C -0.393 176.161 176.600 -0.076 0.000 0.906 93 E CA -0.668 55.702 56.400 -0.050 0.000 0.781 93 E CB 1.341 31.007 29.700 -0.056 0.000 1.261 93 E HN 0.511 nan 8.360 nan 0.000 0.436 94 E N 1.019 121.183 120.200 -0.061 0.000 2.197 94 E HA 0.204 4.554 4.350 -0.000 0.000 0.281 94 E C -0.147 176.404 176.600 -0.083 0.000 0.995 94 E CA -0.372 55.990 56.400 -0.062 0.000 0.808 94 E CB 0.842 30.526 29.700 -0.027 0.000 1.093 94 E HN 0.504 nan 8.360 nan 0.000 0.394 95 N N 2.829 121.459 118.700 -0.116 0.000 2.705 95 N HA -0.271 4.469 4.740 -0.000 0.000 0.255 95 N C -0.950 174.469 175.510 -0.152 0.000 1.008 95 N CA 0.392 53.387 53.050 -0.093 0.000 0.742 95 N CB -0.155 38.356 38.487 0.041 0.000 0.906 95 N HN 0.533 nan 8.380 nan 0.000 0.541 96 Q N 0.822 120.364 119.800 -0.430 0.000 2.375 96 Q HA 0.523 4.863 4.340 -0.000 0.000 0.271 96 Q C -1.659 173.994 176.000 -0.578 0.000 1.074 96 Q CA -0.662 54.971 55.803 -0.283 0.000 0.808 96 Q CB 1.288 29.948 28.738 -0.130 0.000 1.327 96 Q HN 0.291 nan 8.270 nan 0.000 0.441 97 Y N 1.205 121.495 120.300 -0.017 0.000 2.588 97 Y HA 0.486 5.035 4.550 -0.000 0.000 0.343 97 Y C -0.484 175.399 175.900 -0.028 0.000 1.065 97 Y CA -1.107 56.981 58.100 -0.020 0.000 1.038 97 Y CB 1.363 39.798 38.460 -0.041 0.000 1.297 97 Y HN 0.434 nan 8.280 nan 0.000 0.467 98 I N 2.271 122.926 120.570 0.142 0.000 2.330 98 I HA 0.273 4.443 4.170 -0.000 0.000 0.289 98 I C -0.703 175.402 176.117 -0.020 0.000 1.001 98 I CA -0.644 60.659 61.300 0.004 0.000 1.193 98 I CB 0.481 38.492 38.000 0.019 0.000 1.345 98 I HN 0.592 nan 8.210 nan 0.000 0.461 99 C N 7.128 126.385 119.300 -0.072 0.000 2.303 99 C HA 0.494 4.954 4.460 -0.000 0.000 0.326 99 C C -0.098 174.844 174.990 -0.080 0.000 1.285 99 C CA -0.687 58.323 59.018 -0.013 0.000 1.675 99 C CB 0.194 27.929 27.740 -0.008 0.000 2.289 99 C HN 0.495 nan 8.230 nan 0.000 0.512 100 Y N 1.862 122.141 120.300 -0.036 0.000 2.320 100 Y HA 0.572 5.122 4.550 -0.000 0.000 0.334 100 Y C 0.322 176.155 175.900 -0.112 0.000 1.055 100 Y CA -0.412 57.637 58.100 -0.084 0.000 1.143 100 Y CB 0.844 39.072 38.460 -0.387 0.000 1.193 100 Y HN 0.389 nan 8.280 nan 0.000 0.477 101 V N 2.903 122.997 119.914 0.301 0.000 2.604 101 V HA 0.814 4.934 4.120 -0.000 0.000 0.305 101 V C -0.391 175.859 176.094 0.260 0.000 1.043 101 V CA -1.086 61.352 62.300 0.230 0.000 0.888 101 V CB 1.710 33.590 31.823 0.095 0.000 0.995 101 V HN 0.862 nan 8.190 nan 0.000 0.429 102 A N 4.108 127.023 122.820 0.158 0.000 2.318 102 A HA 0.867 5.187 4.320 -0.000 0.000 0.324 102 A C -1.502 175.978 177.584 -0.173 0.000 1.170 102 A CA -0.375 51.711 52.037 0.081 0.000 0.810 102 A CB 0.658 19.740 19.000 0.136 0.000 1.198 102 A HN 0.741 nan 8.150 nan 0.000 0.484 103 Y N 2.179 122.587 120.300 0.180 0.000 2.350 103 Y HA 0.436 4.986 4.550 -0.000 0.000 0.338 103 Y C -2.387 173.636 175.900 0.206 0.000 0.961 103 Y CA -2.324 55.903 58.100 0.212 0.000 1.100 103 Y CB 1.816 40.512 38.460 0.394 0.000 1.179 103 Y HN 0.490 nan 8.280 nan 0.000 0.454 104 P HA -0.023 nan 4.420 nan 0.000 0.269 104 P C 0.736 178.181 177.300 0.241 0.000 1.209 104 P CA -0.223 62.986 63.100 0.182 0.000 0.776 104 P CB 0.957 32.712 31.700 0.093 0.000 0.876 105 L N 2.853 124.181 121.223 0.175 0.000 2.081 105 L HA -0.212 4.128 4.340 -0.000 0.000 0.212 105 L C 1.286 178.266 176.870 0.183 0.000 1.080 105 L CA 2.099 57.043 54.840 0.174 0.000 0.754 105 L CB -1.104 41.016 42.059 0.102 0.000 0.893 105 L HN 0.275 nan 8.230 nan 0.000 0.433 106 D N -0.664 119.818 120.400 0.138 0.000 2.309 106 D HA -0.144 4.496 4.640 -0.000 0.000 0.212 106 D C 2.126 178.454 176.300 0.045 0.000 0.968 106 D CA 1.015 55.096 54.000 0.135 0.000 0.882 106 D CB -0.122 40.819 40.800 0.235 0.000 0.918 106 D HN 0.414 nan 8.370 nan 0.000 0.503 107 L N -0.848 120.312 121.223 -0.104 0.000 2.478 107 L HA 0.045 4.385 4.340 -0.000 0.000 0.223 107 L C 0.140 176.600 176.870 -0.685 0.000 1.140 107 L CA 0.230 54.806 54.840 -0.440 0.000 0.842 107 L CB -0.166 41.490 42.059 -0.672 0.000 0.953 107 L HN -0.117 nan 8.230 nan 0.000 0.452 108 F N -0.226 119.674 119.950 -0.084 0.000 2.450 108 F HA 0.317 4.844 4.527 0.000 0.000 0.332 108 F C 0.650 176.467 175.800 0.028 0.000 1.093 108 F CA -1.130 56.809 58.000 -0.102 0.000 1.003 108 F CB 1.045 39.801 39.000 -0.407 0.000 1.151 108 F HN -0.174 nan 8.300 nan 0.000 0.474 109 E N 1.771 122.115 120.200 0.240 0.000 2.289 109 E HA 0.156 4.506 4.350 -0.000 0.000 0.278 109 E C -0.822 175.909 176.600 0.219 0.000 1.032 109 E CA -0.645 55.855 56.400 0.167 0.000 0.854 109 E CB 0.628 30.382 29.700 0.090 0.000 1.046 109 E HN 0.516 nan 8.360 nan 0.000 0.409 110 E N 2.393 122.661 120.200 0.114 0.000 2.452 110 E HA 0.174 4.524 4.350 -0.000 0.000 0.261 110 E C 0.866 177.242 176.600 -0.372 0.000 0.987 110 E CA 1.260 57.622 56.400 -0.063 0.000 0.926 110 E CB 0.548 30.209 29.700 -0.066 0.000 0.934 110 E HN 0.804 nan 8.360 nan 0.000 0.452 111 G N 2.526 110.702 108.800 -1.041 0.000 2.187 111 G HA2 -0.335 3.625 3.960 -0.000 0.000 0.261 111 G HA3 -0.335 3.625 3.960 -0.000 0.000 0.261 111 G C 0.276 174.746 174.900 -0.717 0.000 1.000 111 G CA 0.615 44.848 45.100 -1.446 0.000 0.718 111 G HN 0.532 nan 8.290 nan 0.000 0.519 112 S N -0.680 114.832 115.700 -0.314 0.000 2.577 112 S HA 0.528 4.998 4.470 -0.000 0.000 0.294 112 S C 1.439 176.148 174.600 0.181 0.000 1.161 112 S CA 0.080 58.306 58.200 0.042 0.000 1.143 112 S CB 1.319 64.547 63.200 0.046 0.000 0.991 112 S HN 0.529 nan 8.310 nan 0.000 0.475 113 V N 4.786 124.790 119.914 0.151 0.000 2.490 113 V HA -0.116 4.004 4.120 -0.000 0.000 0.250 113 V C 2.572 178.455 176.094 -0.352 0.000 1.061 113 V CA 2.392 64.539 62.300 -0.255 0.000 1.064 113 V CB -0.939 30.542 31.823 -0.570 0.000 0.670 113 V HN 0.840 nan 8.190 nan 0.000 0.461 114 T N 0.088 114.581 114.554 -0.102 0.000 2.720 114 T HA -0.244 4.106 4.350 -0.000 0.000 0.268 114 T C 1.927 176.665 174.700 0.063 0.000 1.037 114 T CA 1.928 64.047 62.100 0.031 0.000 1.144 114 T CB -0.447 68.491 68.868 0.117 0.000 0.864 114 T HN 0.577 nan 8.240 nan 0.000 0.444 115 N N 0.555 119.302 118.700 0.078 0.000 2.216 115 N HA -0.056 4.684 4.740 -0.000 0.000 0.183 115 N C 2.109 177.718 175.510 0.166 0.000 1.017 115 N CA 1.006 54.125 53.050 0.116 0.000 0.861 115 N CB -0.217 38.349 38.487 0.131 0.000 0.986 115 N HN 0.396 nan 8.380 nan 0.000 0.428 116 M N -0.237 119.457 119.600 0.155 0.000 2.080 116 M HA -0.170 4.310 4.480 -0.000 0.000 0.260 116 M C 1.328 177.708 176.300 0.133 0.000 1.068 116 M CA 1.570 56.961 55.300 0.152 0.000 1.109 116 M CB -0.132 32.389 32.600 -0.131 0.000 1.342 116 M HN 0.026 nan 8.290 nan 0.000 0.405 117 F N 0.340 120.287 119.950 -0.004 0.000 2.259 117 F HA -0.080 4.447 4.527 0.000 0.000 0.298 117 F C 2.535 178.349 175.800 0.023 0.000 1.088 117 F CA 1.388 59.373 58.000 -0.025 0.000 1.358 117 F CB -1.564 37.385 39.000 -0.085 0.000 1.040 117 F HN 0.178 nan 8.300 nan 0.000 0.505 118 T N -0.859 113.830 114.554 0.224 0.000 2.759 118 T HA -0.178 4.172 4.350 -0.000 0.000 0.269 118 T C 2.345 177.116 174.700 0.119 0.000 1.042 118 T CA 1.794 63.980 62.100 0.144 0.000 1.140 118 T CB -0.340 68.591 68.868 0.104 0.000 0.864 118 T HN 0.156 nan 8.240 nan 0.000 0.455 119 S N 0.746 116.511 115.700 0.108 0.000 2.325 119 S HA 0.114 4.584 4.470 -0.000 0.000 0.214 119 S C 2.086 176.744 174.600 0.097 0.000 1.031 119 S CA 0.683 58.915 58.200 0.054 0.000 0.972 119 S CB -0.334 62.830 63.200 -0.059 0.000 0.908 119 S HN 0.399 nan 8.310 nan 0.000 0.453 120 I N 1.770 122.400 120.570 0.099 0.000 2.208 120 I HA -0.115 4.055 4.170 -0.000 0.000 0.245 120 I C 1.628 177.978 176.117 0.389 0.000 1.097 120 I CA 1.204 62.617 61.300 0.187 0.000 1.363 120 I CB -0.302 37.768 38.000 0.116 0.000 1.051 120 I HN 0.261 nan 8.210 nan 0.000 0.413 121 V N -2.654 117.440 119.914 0.300 0.000 3.070 121 V HA 0.478 4.598 4.120 -0.000 0.000 0.345 121 V C 1.518 177.710 176.094 0.164 0.000 1.403 121 V CA 0.204 62.687 62.300 0.306 0.000 1.155 121 V CB -0.357 31.435 31.823 -0.051 0.000 1.140 121 V HN 0.234 nan 8.190 nan 0.000 0.505 122 G N 1.919 110.823 108.800 0.175 0.000 2.484 122 G HA2 -0.152 3.808 3.960 -0.000 0.000 0.215 122 G HA3 -0.152 3.808 3.960 -0.000 0.000 0.215 122 G C 1.168 176.157 174.900 0.148 0.000 1.219 122 G CA 1.360 46.537 45.100 0.128 0.000 0.791 122 G HN 0.559 nan 8.290 nan 0.000 0.550 123 N N -0.349 118.466 118.700 0.192 0.000 2.297 123 N HA -0.000 4.740 4.740 -0.000 0.000 0.208 123 N C 2.217 177.920 175.510 0.322 0.000 1.176 123 N CA 0.847 54.029 53.050 0.220 0.000 0.882 123 N CB 0.457 39.064 38.487 0.199 0.000 1.134 123 N HN 0.294 nan 8.380 nan 0.000 0.489 124 V N -1.114 118.960 119.914 0.267 0.000 2.688 124 V HA -0.079 4.041 4.120 -0.000 0.000 0.256 124 V C 1.627 177.793 176.094 0.120 0.000 1.084 124 V CA 1.296 63.662 62.300 0.110 0.000 1.103 124 V CB -1.192 30.476 31.823 -0.259 0.000 0.688 124 V HN -0.075 nan 8.190 nan 0.000 0.480 125 F N 2.363 122.370 119.950 0.094 0.000 2.604 125 F HA 0.319 4.846 4.527 -0.000 0.000 0.298 125 F C 2.321 178.239 175.800 0.196 0.000 1.131 125 F CA 0.989 59.065 58.000 0.126 0.000 1.457 125 F CB -0.671 38.385 39.000 0.093 0.000 1.095 125 F HN 0.340 nan 8.300 nan 0.000 0.574 126 G N -1.598 107.400 108.800 0.330 0.000 3.126 126 G HA2 0.027 3.987 3.960 -0.000 0.000 0.224 126 G HA3 0.027 3.987 3.960 -0.000 0.000 0.224 126 G C 0.151 175.124 174.900 0.122 0.000 1.142 126 G CA -0.223 44.992 45.100 0.192 0.000 0.759 126 G HN 0.018 nan 8.290 nan 0.000 0.550 127 F N 1.472 121.426 119.950 0.008 0.000 2.578 127 F HA 0.174 4.701 4.527 0.000 0.000 0.376 127 F C 1.778 177.568 175.800 -0.017 0.000 1.085 127 F CA 0.227 58.215 58.000 -0.021 0.000 1.260 127 F CB 1.063 40.023 39.000 -0.067 0.000 1.095 127 F HN -0.036 nan 8.300 nan 0.000 0.573 128 K N 2.782 123.185 120.400 0.005 0.000 2.147 128 K HA -0.157 4.163 4.320 -0.000 0.000 0.205 128 K C 1.959 178.600 176.600 0.068 0.000 1.049 128 K CA 1.242 57.537 56.287 0.013 0.000 0.936 128 K CB -0.161 32.315 32.500 -0.041 0.000 0.722 128 K HN 0.711 nan 8.250 nan 0.000 0.446 129 A N 1.002 123.905 122.820 0.139 0.000 2.216 129 A HA 0.014 4.334 4.320 -0.000 0.000 0.214 129 A C 0.746 178.372 177.584 0.069 0.000 1.160 129 A CA 0.685 52.790 52.037 0.114 0.000 0.725 129 A CB -0.260 18.837 19.000 0.161 0.000 0.784 129 A HN 0.104 nan 8.150 nan 0.000 0.472 130 L N -1.963 119.306 121.223 0.077 0.000 2.342 130 L HA 0.468 4.808 4.340 -0.000 0.000 0.271 130 L C 1.134 178.032 176.870 0.047 0.000 1.008 130 L CA -0.752 54.110 54.840 0.037 0.000 0.818 130 L CB 1.730 43.791 42.059 0.004 0.000 1.296 130 L HN 0.097 nan 8.230 nan 0.000 0.427 131 R N 1.163 121.688 120.500 0.041 0.000 2.128 131 R HA 0.402 4.742 4.340 -0.000 0.000 0.211 131 R C 0.070 176.407 176.300 0.061 0.000 1.067 131 R CA 0.651 56.774 56.100 0.039 0.000 1.010 131 R CB 0.481 30.801 30.300 0.034 0.000 0.922 131 R HN 0.747 nan 8.270 nan 0.000 0.457 132 A N 0.243 123.122 122.820 0.100 0.000 2.612 132 A HA 0.631 4.951 4.320 -0.000 0.000 0.293 132 A C -2.098 175.574 177.584 0.147 0.000 1.075 132 A CA -0.606 51.571 52.037 0.233 0.000 0.680 132 A CB 1.629 20.750 19.000 0.202 0.000 1.279 132 A HN 0.030 nan 8.150 nan 0.000 0.411 133 L N 0.349 121.664 121.223 0.154 0.000 2.513 133 L HA 0.806 5.146 4.340 -0.000 0.000 0.261 133 L C -0.771 175.989 176.870 -0.183 0.000 0.945 133 L CA -0.077 54.640 54.840 -0.206 0.000 0.848 133 L CB 1.980 43.645 42.059 -0.657 0.000 1.334 133 L HN 0.873 nan 8.230 nan 0.000 0.407 134 R N 3.918 124.411 120.500 -0.012 0.000 2.564 134 R HA 0.591 4.931 4.340 -0.000 0.000 0.284 134 R C -1.963 174.433 176.300 0.160 0.000 1.031 134 R CA -0.872 55.314 56.100 0.144 0.000 0.904 134 R CB 1.796 32.154 30.300 0.098 0.000 1.199 134 R HN 0.661 nan 8.270 nan 0.000 0.443 135 L N 4.596 125.941 121.223 0.203 0.000 2.261 135 L HA 0.269 4.609 4.340 -0.000 0.000 0.289 135 L C 0.750 177.559 176.870 -0.103 0.000 1.059 135 L CA 0.447 55.235 54.840 -0.088 0.000 0.816 135 L CB 1.157 43.184 42.059 -0.055 0.000 1.191 135 L HN 0.715 nan 8.230 nan 0.000 0.431 136 E N 2.215 122.266 120.200 -0.249 0.000 2.075 136 E HA 0.062 4.412 4.350 -0.000 0.000 0.190 136 E C -0.170 176.309 176.600 -0.201 0.000 0.969 136 E CA 0.637 56.885 56.400 -0.254 0.000 0.815 136 E CB 0.365 29.691 29.700 -0.623 0.000 0.776 136 E HN 0.690 nan 8.360 nan 0.000 0.457 137 D N -1.136 119.123 120.400 -0.235 0.000 2.596 137 D HA 0.442 5.082 4.640 -0.000 0.000 0.262 137 D C -1.789 174.593 176.300 0.136 0.000 1.210 137 D CA -0.680 53.331 54.000 0.019 0.000 0.873 137 D CB 1.729 42.602 40.800 0.121 0.000 1.408 137 D HN -0.176 nan 8.370 nan 0.000 0.441 138 L N 1.340 122.669 121.223 0.177 0.000 2.464 138 L HA 0.466 4.806 4.340 -0.000 0.000 0.266 138 L C -1.026 175.789 176.870 -0.090 0.000 0.965 138 L CA -0.578 54.270 54.840 0.013 0.000 0.833 138 L CB 1.774 43.811 42.059 -0.037 0.000 1.296 138 L HN 0.327 nan 8.230 nan 0.000 0.405 139 R N 5.251 125.501 120.500 -0.417 0.000 2.230 139 R HA 0.467 4.807 4.340 -0.000 0.000 0.337 139 R C -1.098 175.011 176.300 -0.319 0.000 1.063 139 R CA -0.392 55.456 56.100 -0.420 0.000 0.935 139 R CB -0.043 29.817 30.300 -0.734 0.000 1.121 139 R HN 0.640 nan 8.270 nan 0.000 0.486 140 I N 7.889 128.283 120.570 -0.293 0.000 2.301 140 I HA 0.213 4.383 4.170 -0.000 0.000 0.292 140 I C -1.646 174.339 176.117 -0.221 0.000 1.046 140 I CA -1.956 59.192 61.300 -0.253 0.000 1.282 140 I CB 1.485 39.318 38.000 -0.278 0.000 1.409 140 I HN 0.281 nan 8.210 nan 0.000 0.484 141 P HA -0.042 nan 4.420 nan 0.000 0.269 141 P C 1.097 178.377 177.300 -0.034 0.000 1.209 141 P CA -0.113 62.940 63.100 -0.077 0.000 0.776 141 P CB 1.232 32.909 31.700 -0.039 0.000 0.876 142 V N 0.660 120.552 119.914 -0.037 0.000 2.469 142 V HA -0.234 3.886 4.120 -0.000 0.000 0.251 142 V C 2.309 178.432 176.094 0.048 0.000 1.064 142 V CA 2.081 64.377 62.300 -0.006 0.000 1.066 142 V CB -2.192 29.634 31.823 0.003 0.000 0.667 142 V HN 0.541 nan 8.190 nan 0.000 0.461 143 A N -0.919 121.939 122.820 0.063 0.000 1.972 143 A HA -0.156 4.164 4.320 -0.000 0.000 0.219 143 A C 2.149 179.833 177.584 0.165 0.000 1.169 143 A CA 1.983 54.076 52.037 0.093 0.000 0.635 143 A CB -0.785 18.264 19.000 0.082 0.000 0.810 143 A HN 0.740 nan 8.150 nan 0.000 0.446 144 Y N -0.114 120.204 120.300 0.029 0.000 2.347 144 Y HA 0.013 4.563 4.550 0.000 0.000 0.294 144 Y C 2.303 178.326 175.900 0.204 0.000 1.117 144 Y CA 0.922 59.071 58.100 0.082 0.000 1.184 144 Y CB -0.179 38.292 38.460 0.019 0.000 1.047 144 Y HN 0.049 nan 8.280 nan 0.000 0.546 145 V N 0.710 120.692 119.914 0.113 0.000 2.392 145 V HA -0.292 3.828 4.120 -0.000 0.000 0.249 145 V C 2.166 178.356 176.094 0.159 0.000 1.059 145 V CA 1.939 64.290 62.300 0.085 0.000 1.051 145 V CB -0.496 31.346 31.823 0.033 0.000 0.658 145 V HN 0.225 nan 8.190 nan 0.000 0.455 146 K N 0.602 121.063 120.400 0.101 0.000 2.515 146 K HA -0.064 4.256 4.320 -0.000 0.000 0.196 146 K C 1.965 178.581 176.600 0.026 0.000 1.038 146 K CA 1.425 57.755 56.287 0.072 0.000 0.967 146 K CB -0.643 31.889 32.500 0.052 0.000 0.780 146 K HN 0.756 nan 8.250 nan 0.000 0.483 147 T N -2.304 112.234 114.554 -0.027 0.000 3.107 147 T HA 0.145 4.495 4.350 -0.000 0.000 0.249 147 T C 0.492 174.973 174.700 -0.365 0.000 1.096 147 T CA -0.234 61.736 62.100 -0.217 0.000 1.012 147 T CB -0.196 68.458 68.868 -0.355 0.000 0.977 147 T HN -0.171 nan 8.240 nan 0.000 0.527 148 F N 1.121 120.987 119.950 -0.141 0.000 2.470 148 F HA 0.506 5.033 4.527 -0.000 0.000 0.329 148 F C 1.590 177.364 175.800 -0.043 0.000 1.072 148 F CA -1.351 56.596 58.000 -0.088 0.000 0.989 148 F CB 1.907 40.840 39.000 -0.110 0.000 1.193 148 F HN -0.127 nan 8.300 nan 0.000 0.481 149 Q N 1.727 121.637 119.800 0.184 0.000 2.096 149 Q HA 0.261 4.601 4.340 -0.000 0.000 0.197 149 Q C 0.971 177.017 176.000 0.077 0.000 0.964 149 Q CA 1.168 57.010 55.803 0.065 0.000 0.838 149 Q CB -0.014 28.730 28.738 0.010 0.000 0.906 149 Q HN 0.998 nan 8.270 nan 0.000 0.444 150 G N 0.394 109.265 108.800 0.119 0.000 2.632 150 G HA2 -0.228 3.732 3.960 -0.000 0.000 0.224 150 G HA3 -0.228 3.732 3.960 -0.000 0.000 0.224 150 G C -2.572 172.324 174.900 -0.007 0.000 1.341 150 G CA -0.460 44.661 45.100 0.035 0.000 0.880 150 G HN 0.322 nan 8.290 nan 0.000 0.566 151 P HA 0.208 nan 4.420 nan 0.000 0.264 151 P C -1.754 175.485 177.300 -0.103 0.000 1.183 151 P CA -0.366 62.690 63.100 -0.073 0.000 0.763 151 P CB 0.426 32.079 31.700 -0.078 0.000 0.807 152 P HA -0.162 nan 4.420 nan 0.000 0.218 152 P C 0.413 177.298 177.300 -0.691 0.000 1.148 152 P CA 1.879 64.761 63.100 -0.365 0.000 0.822 152 P CB 0.108 31.626 31.700 -0.302 0.000 0.784 153 H N -3.906 115.148 119.070 -0.026 0.000 1.955 153 H HA 0.440 4.996 4.556 -0.000 0.000 0.196 153 H C 0.897 176.219 175.328 -0.010 0.000 0.891 153 H CA 0.618 56.657 56.048 -0.015 0.000 1.001 153 H CB -0.035 29.719 29.762 -0.014 0.000 1.195 153 H HN 0.069 nan 8.280 nan 0.000 0.384 154 G N 0.601 109.465 108.800 0.106 0.000 2.707 154 G HA2 -0.205 3.755 3.960 -0.000 0.000 0.686 154 G HA3 -0.205 3.755 3.960 -0.000 0.000 0.686 154 G C 0.652 175.598 174.900 0.077 0.000 1.315 154 G CA -0.201 44.931 45.100 0.053 0.000 0.832 154 G HN 0.244 nan 8.290 nan 0.000 0.573 155 I N 0.134 120.736 120.570 0.054 0.000 2.113 155 I HA -0.323 3.847 4.170 -0.000 0.000 0.242 155 I C 2.918 179.082 176.117 0.079 0.000 1.064 155 I CA 2.549 63.888 61.300 0.064 0.000 1.320 155 I CB -0.303 37.724 38.000 0.045 0.000 1.028 155 I HN 0.776 nan 8.210 nan 0.000 0.406 156 Q N 0.968 120.815 119.800 0.078 0.000 2.002 156 Q HA -0.210 4.130 4.340 -0.000 0.000 0.204 156 Q C 2.399 178.461 176.000 0.103 0.000 0.988 156 Q CA 2.543 58.405 55.803 0.098 0.000 0.843 156 Q CB -0.093 28.694 28.738 0.082 0.000 0.908 156 Q HN 0.383 nan 8.270 nan 0.000 0.420 157 V N 1.257 121.228 119.914 0.095 0.000 2.392 157 V HA -0.266 3.854 4.120 -0.000 0.000 0.249 157 V C 2.313 178.440 176.094 0.057 0.000 1.059 157 V CA 2.265 64.620 62.300 0.092 0.000 1.051 157 V CB -0.759 31.145 31.823 0.135 0.000 0.658 157 V HN 0.501 nan 8.190 nan 0.000 0.455 158 E N 0.272 120.510 120.200 0.063 0.000 2.051 158 E HA -0.237 4.113 4.350 -0.000 0.000 0.192 158 E C 2.469 179.074 176.600 0.009 0.000 0.991 158 E CA 1.317 57.739 56.400 0.037 0.000 0.799 158 E CB -0.102 29.657 29.700 0.098 0.000 0.748 158 E HN 0.499 nan 8.360 nan 0.000 0.449 159 R N 0.322 120.822 120.500 0.000 0.000 2.096 159 R HA -0.130 4.210 4.340 -0.000 0.000 0.235 159 R C 1.916 178.076 176.300 -0.233 0.000 1.127 159 R CA 1.528 57.538 56.100 -0.151 0.000 0.968 159 R CB -0.136 30.115 30.300 -0.082 0.000 0.861 159 R HN 0.298 nan 8.270 nan 0.000 0.440 160 D N 0.287 120.691 120.400 0.006 0.000 2.144 160 D HA -0.102 4.538 4.640 -0.000 0.000 0.200 160 D C 1.757 178.070 176.300 0.022 0.000 0.978 160 D CA 0.975 55.032 54.000 0.095 0.000 0.833 160 D CB 0.054 40.939 40.800 0.142 0.000 0.961 160 D HN 0.042 nan 8.370 nan 0.000 0.470 161 K N 0.458 120.851 120.400 -0.012 0.000 2.062 161 K HA 0.037 4.357 4.320 -0.000 0.000 0.205 161 K C 2.181 178.764 176.600 -0.029 0.000 1.051 161 K CA 0.384 56.657 56.287 -0.024 0.000 0.941 161 K CB -0.234 32.227 32.500 -0.065 0.000 0.719 161 K HN 0.255 nan 8.250 nan 0.000 0.440 162 L N 0.416 121.607 121.223 -0.053 0.000 2.558 162 L HA 0.047 4.387 4.340 -0.000 0.000 0.225 162 L C 0.105 176.902 176.870 -0.122 0.000 1.128 162 L CA -0.127 54.678 54.840 -0.059 0.000 0.868 162 L CB -0.518 41.523 42.059 -0.030 0.000 1.006 162 L HN 0.233 nan 8.230 nan 0.000 0.454 163 N N 1.542 120.129 118.700 -0.189 0.000 2.738 163 N HA -0.190 4.550 4.740 -0.000 0.000 0.249 163 N C -0.618 174.669 175.510 -0.372 0.000 1.047 163 N CA 0.829 53.748 53.050 -0.218 0.000 0.707 163 N CB -0.745 37.727 38.487 -0.025 0.000 0.937 163 N HN 0.355 nan 8.380 nan 0.000 0.545 164 K N 1.131 121.131 120.400 -0.667 0.000 2.413 164 K HA 0.492 4.812 4.320 -0.000 0.000 0.257 164 K C -1.079 175.137 176.600 -0.641 0.000 0.946 164 K CA -0.513 55.495 56.287 -0.464 0.000 0.823 164 K CB 1.304 33.651 32.500 -0.255 0.000 1.109 164 K HN 0.128 nan 8.250 nan 0.000 0.427 165 Y N -0.837 119.470 120.300 0.011 0.000 2.597 165 Y HA 0.403 4.953 4.550 0.000 0.000 0.340 165 Y C 0.986 176.895 175.900 0.015 0.000 1.097 165 Y CA -0.762 57.348 58.100 0.017 0.000 1.037 165 Y CB 2.375 40.845 38.460 0.017 0.000 1.305 165 Y HN 0.746 nan 8.280 nan 0.000 0.463 166 G N 1.221 110.140 108.800 0.197 0.000 2.148 166 G HA2 -0.214 3.746 3.960 -0.000 0.000 0.254 166 G HA3 -0.214 3.746 3.960 -0.000 0.000 0.254 166 G C -0.199 174.748 174.900 0.080 0.000 0.981 166 G CA 0.463 45.632 45.100 0.114 0.000 0.670 166 G HN 0.957 nan 8.290 nan 0.000 0.528 167 R N -2.065 118.478 120.500 0.071 0.000 2.728 167 R HA 0.584 4.924 4.340 -0.000 0.000 0.274 167 R C -3.514 172.814 176.300 0.045 0.000 1.032 167 R CA -1.683 54.450 56.100 0.054 0.000 0.866 167 R CB 0.252 30.577 30.300 0.042 0.000 1.263 167 R HN 0.029 nan 8.270 nan 0.000 0.475 168 P HA 0.150 nan 4.420 nan 0.000 0.272 168 P C -0.574 176.741 177.300 0.025 0.000 1.230 168 P CA -0.349 62.775 63.100 0.040 0.000 0.788 168 P CB 0.512 32.246 31.700 0.057 0.000 0.949 169 L N 1.557 122.793 121.223 0.021 0.000 2.421 169 L HA 0.419 4.759 4.340 -0.000 0.000 0.263 169 L C 0.141 177.040 176.870 0.048 0.000 1.122 169 L CA -0.640 54.209 54.840 0.014 0.000 0.804 169 L CB 0.279 42.394 42.059 0.093 0.000 1.150 169 L HN 0.162 nan 8.230 nan 0.000 0.457 170 L N 0.908 122.142 121.223 0.018 0.000 2.333 170 L HA 0.673 5.013 4.340 -0.000 0.000 0.280 170 L C 0.207 177.145 176.870 0.113 0.000 1.004 170 L CA -0.282 54.610 54.840 0.086 0.000 0.820 170 L CB 1.784 43.874 42.059 0.052 0.000 1.247 170 L HN 0.686 nan 8.230 nan 0.000 0.416 171 G N 0.753 109.644 108.800 0.153 0.000 3.042 171 G HA2 0.670 4.630 3.960 -0.000 0.000 0.278 171 G HA3 0.670 4.630 3.960 -0.000 0.000 0.278 171 G C -1.761 173.173 174.900 0.056 0.000 1.371 171 G CA -0.564 44.597 45.100 0.100 0.000 1.009 171 G HN 0.712 nan 8.290 nan 0.000 0.523 172 C N -0.325 118.954 119.300 -0.036 0.000 3.218 172 C HA 0.636 5.096 4.460 -0.000 0.000 0.420 172 C C -0.411 174.547 174.990 -0.053 0.000 0.987 172 C CA -0.502 58.514 59.018 -0.004 0.000 1.196 172 C CB 0.539 28.299 27.740 0.035 0.000 1.576 172 C HN 0.844 nan 8.230 nan 0.000 0.594 173 T N 7.025 121.571 114.554 -0.013 0.000 2.771 173 T HA 0.434 4.784 4.350 -0.000 0.000 0.291 173 T C 0.498 175.202 174.700 0.008 0.000 0.954 173 T CA -0.287 61.817 62.100 0.006 0.000 1.045 173 T CB 0.455 69.358 68.868 0.057 0.000 0.917 173 T HN 0.591 nan 8.240 nan 0.000 0.484 174 I N 3.873 124.434 120.570 -0.015 0.000 2.692 174 I HA 0.231 4.401 4.170 -0.000 0.000 0.284 174 I C 0.657 176.766 176.117 -0.013 0.000 1.159 174 I CA 0.077 61.312 61.300 -0.108 0.000 1.423 174 I CB 0.073 37.791 38.000 -0.470 0.000 1.380 174 I HN 0.451 nan 8.210 nan 0.000 0.580 175 K N 6.096 126.486 120.400 -0.016 0.000 2.443 175 K HA 0.557 4.877 4.320 -0.000 0.000 0.251 175 K C -2.449 174.167 176.600 0.026 0.000 0.972 175 K CA -1.591 54.717 56.287 0.035 0.000 0.833 175 K CB 1.656 34.184 32.500 0.047 0.000 1.317 175 K HN 0.313 nan 8.250 nan 0.000 0.441 176 P HA 0.142 nan 4.420 nan 0.000 0.270 176 P C 0.257 177.597 177.300 0.067 0.000 1.223 176 P CA -0.166 62.956 63.100 0.038 0.000 0.785 176 P CB 0.925 32.629 31.700 0.007 0.000 0.923 177 K N 0.291 120.728 120.400 0.061 0.000 2.015 177 K HA -0.110 4.210 4.320 -0.000 0.000 0.216 177 K C 0.838 177.501 176.600 0.105 0.000 1.052 177 K CA 1.354 57.696 56.287 0.090 0.000 0.937 177 K CB -0.349 32.187 32.500 0.060 0.000 0.719 177 K HN 0.406 nan 8.250 nan 0.000 0.446 178 L N -2.234 118.984 121.223 -0.007 0.000 2.309 178 L HA 0.427 4.767 4.340 -0.000 0.000 0.261 178 L C 0.814 177.390 176.870 -0.490 0.000 1.021 178 L CA -0.294 54.434 54.840 -0.187 0.000 0.823 178 L CB 2.197 44.182 42.059 -0.123 0.000 1.366 178 L HN 0.506 nan 8.230 nan 0.000 0.423 179 G N 0.849 108.905 108.800 -1.240 0.000 2.253 179 G HA2 -0.173 3.787 3.960 -0.000 0.000 0.209 179 G HA3 -0.173 3.787 3.960 -0.000 0.000 0.209 179 G C -0.193 174.497 174.900 -0.350 0.000 0.997 179 G CA -0.565 44.028 45.100 -0.844 0.000 0.640 179 G HN 0.300 nan 8.290 nan 0.000 0.496 180 L N 2.384 123.551 121.223 -0.094 0.000 2.375 180 L HA 0.591 4.931 4.340 -0.000 0.000 0.271 180 L C 1.418 178.456 176.870 0.280 0.000 1.107 180 L CA -0.147 54.781 54.840 0.147 0.000 0.806 180 L CB 1.523 43.755 42.059 0.288 0.000 1.146 180 L HN 0.441 nan 8.230 nan 0.000 0.447 181 S N 1.316 117.137 115.700 0.203 0.000 2.632 181 S HA 0.334 4.804 4.470 -0.000 0.000 0.267 181 S C 1.041 175.737 174.600 0.161 0.000 1.276 181 S CA -0.153 58.153 58.200 0.178 0.000 0.998 181 S CB 1.577 64.828 63.200 0.086 0.000 0.953 181 S HN 0.701 nan 8.310 nan 0.000 0.547 182 A N 1.388 124.281 122.820 0.121 0.000 1.908 182 A HA -0.134 4.186 4.320 -0.000 0.000 0.218 182 A C 2.158 179.730 177.584 -0.019 0.000 1.181 182 A CA 1.997 54.125 52.037 0.152 0.000 0.627 182 A CB -1.030 18.140 19.000 0.283 0.000 0.818 182 A HN 0.975 nan 8.150 nan 0.000 0.445 183 K N -0.507 119.676 120.400 -0.361 0.000 2.057 183 K HA -0.148 4.172 4.320 -0.000 0.000 0.206 183 K C 1.668 178.121 176.600 -0.244 0.000 1.050 183 K CA 1.558 57.419 56.287 -0.710 0.000 0.935 183 K CB -0.178 31.878 32.500 -0.739 0.000 0.715 183 K HN 0.400 nan 8.250 nan 0.000 0.439 184 N N -0.220 118.435 118.700 -0.074 0.000 2.309 184 N HA -0.152 4.588 4.740 -0.000 0.000 0.182 184 N C 1.471 177.022 175.510 0.068 0.000 1.018 184 N CA 0.904 53.957 53.050 0.006 0.000 0.876 184 N CB -0.236 38.275 38.487 0.039 0.000 0.972 184 N HN 0.255 nan 8.380 nan 0.000 0.434 185 Y N 1.246 121.545 120.300 -0.002 0.000 2.145 185 Y HA -0.074 4.476 4.550 -0.000 0.000 0.286 185 Y C 2.434 178.338 175.900 0.006 0.000 1.145 185 Y CA 1.744 59.865 58.100 0.035 0.000 1.148 185 Y CB -0.615 37.895 38.460 0.084 0.000 0.981 185 Y HN 0.052 nan 8.280 nan 0.000 0.507 186 G N -0.589 108.302 108.800 0.153 0.000 2.422 186 G HA2 -0.267 3.693 3.960 -0.000 0.000 0.218 186 G HA3 -0.267 3.693 3.960 -0.000 0.000 0.218 186 G C 1.751 176.694 174.900 0.072 0.000 1.140 186 G CA 0.774 45.934 45.100 0.100 0.000 0.775 186 G HN 0.354 nan 8.290 nan 0.000 0.545 187 R N 0.556 121.081 120.500 0.042 0.000 2.066 187 R HA 0.067 4.407 4.340 -0.000 0.000 0.232 187 R C 2.788 179.127 176.300 0.066 0.000 1.131 187 R CA 1.559 57.701 56.100 0.071 0.000 0.955 187 R CB -0.467 29.849 30.300 0.026 0.000 0.851 187 R HN 0.221 nan 8.270 nan 0.000 0.432 188 A N 0.519 123.332 122.820 -0.010 0.000 1.902 188 A HA -0.093 4.227 4.320 -0.000 0.000 0.217 188 A C 2.297 179.843 177.584 -0.062 0.000 1.181 188 A CA 1.617 53.618 52.037 -0.059 0.000 0.623 188 A CB -0.560 18.355 19.000 -0.142 0.000 0.818 188 A HN 0.246 nan 8.150 nan 0.000 0.443 189 V N -1.163 118.714 119.914 -0.063 0.000 2.295 189 V HA -0.282 3.838 4.120 -0.000 0.000 0.246 189 V C 2.390 178.500 176.094 0.027 0.000 1.049 189 V CA 2.161 64.441 62.300 -0.034 0.000 1.024 189 V CB -1.054 30.715 31.823 -0.090 0.000 0.648 189 V HN 0.751 nan 8.190 nan 0.000 0.447 190 Y N 1.509 121.792 120.300 -0.030 0.000 2.128 190 Y HA -0.222 4.328 4.550 -0.000 0.000 0.284 190 Y C 2.538 178.433 175.900 -0.008 0.000 1.154 190 Y CA 1.938 60.032 58.100 -0.009 0.000 1.149 190 Y CB -0.357 38.107 38.460 0.006 0.000 0.976 190 Y HN 0.265 nan 8.280 nan 0.000 0.505 191 E N -0.413 119.586 120.200 -0.335 0.000 2.110 191 E HA -0.201 4.149 4.350 -0.000 0.000 0.193 191 E C 2.479 178.923 176.600 -0.259 0.000 0.988 191 E CA 1.359 57.521 56.400 -0.395 0.000 0.804 191 E CB -0.889 28.712 29.700 -0.164 0.000 0.745 191 E HN 0.559 nan 8.360 nan 0.000 0.458 192 C N 0.532 119.740 119.300 -0.154 0.000 2.462 192 C HA -0.036 4.424 4.460 -0.000 0.000 0.278 192 C C 2.869 177.795 174.990 -0.107 0.000 1.253 192 C CA 0.257 59.213 59.018 -0.103 0.000 1.713 192 C CB -1.099 26.607 27.740 -0.056 0.000 2.049 192 C HN 0.360 nan 8.230 nan 0.000 0.477 193 L N 1.300 122.467 121.223 -0.095 0.000 2.083 193 L HA -0.162 4.178 4.340 -0.000 0.000 0.209 193 L C 2.875 179.685 176.870 -0.100 0.000 1.083 193 L CA 1.783 56.580 54.840 -0.071 0.000 0.752 193 L CB -0.757 41.293 42.059 -0.015 0.000 0.899 193 L HN 0.480 nan 8.230 nan 0.000 0.433 194 R N 0.597 120.988 120.500 -0.183 0.000 2.237 194 R HA -0.068 4.272 4.340 -0.000 0.000 0.219 194 R C 1.808 178.030 176.300 -0.131 0.000 1.080 194 R CA 1.257 57.253 56.100 -0.173 0.000 0.995 194 R CB -0.595 29.491 30.300 -0.357 0.000 0.875 194 R HN 0.261 nan 8.270 nan 0.000 0.462 195 G N -0.611 108.107 108.800 -0.136 0.000 2.985 195 G HA2 0.262 4.222 3.960 -0.000 0.000 0.209 195 G HA3 0.262 4.222 3.960 -0.000 0.000 0.209 195 G C 0.861 175.712 174.900 -0.082 0.000 1.165 195 G CA 0.219 45.255 45.100 -0.106 0.000 0.776 195 G HN 0.578 nan 8.290 nan 0.000 0.541 196 G N -0.744 108.009 108.800 -0.077 0.000 2.260 196 G HA2 -0.187 3.773 3.960 -0.000 0.000 0.179 196 G HA3 -0.187 3.773 3.960 -0.000 0.000 0.179 196 G C 0.288 175.140 174.900 -0.080 0.000 1.002 196 G CA -0.298 44.761 45.100 -0.069 0.000 0.677 196 G HN 0.335 nan 8.290 nan 0.000 0.486 197 L N 1.427 122.601 121.223 -0.082 0.000 2.371 197 L HA 0.357 4.697 4.340 -0.000 0.000 0.272 197 L C 1.068 177.853 176.870 -0.141 0.000 1.124 197 L CA -0.662 54.128 54.840 -0.083 0.000 0.816 197 L CB 0.674 42.705 42.059 -0.047 0.000 1.129 197 L HN 0.018 nan 8.230 nan 0.000 0.448 198 D N 1.718 121.972 120.400 -0.242 0.000 2.162 198 D HA 0.029 4.669 4.640 -0.000 0.000 0.203 198 D C -0.072 175.886 176.300 -0.569 0.000 0.967 198 D CA 1.528 55.219 54.000 -0.515 0.000 0.840 198 D CB 0.289 40.579 40.800 -0.851 0.000 0.972 198 D HN 0.158 nan 8.370 nan 0.000 0.482 199 F N -0.341 119.574 119.950 -0.058 0.000 2.629 199 F HA 0.376 4.903 4.527 0.000 0.000 0.316 199 F C 0.604 176.262 175.800 -0.237 0.000 1.081 199 F CA -1.028 56.879 58.000 -0.155 0.000 0.954 199 F CB 1.637 40.491 39.000 -0.243 0.000 1.337 199 F HN -0.336 nan 8.300 nan 0.000 0.474 203 D N 0.970 121.508 120.400 0.231 0.000 2.368 203 D HA -0.006 4.634 4.640 -0.000 0.000 0.240 203 D C 1.500 177.806 176.300 0.011 0.000 1.169 203 D CA 0.000 54.069 54.000 0.115 0.000 0.906 203 D CB 1.083 41.962 40.800 0.131 0.000 1.187 203 D HN 0.399 nan 8.370 nan 0.000 0.435 204 E N 2.345 122.440 120.200 -0.174 0.000 2.171 204 E HA -0.267 4.083 4.350 -0.000 0.000 0.197 204 E C 0.732 177.236 176.600 -0.159 0.000 0.997 204 E CA 1.259 57.441 56.400 -0.364 0.000 0.810 204 E CB -0.435 28.670 29.700 -0.991 0.000 0.738 204 E HN 0.509 nan 8.360 nan 0.000 0.467 205 N N 1.032 119.691 118.700 -0.068 0.000 2.398 205 N HA -0.006 4.734 4.740 -0.000 0.000 0.188 205 N C 0.127 175.672 175.510 0.059 0.000 1.122 205 N CA 0.005 53.052 53.050 -0.005 0.000 0.866 205 N CB 0.030 38.527 38.487 0.016 0.000 0.970 205 N HN -0.035 nan 8.380 nan 0.000 0.462 206 V N 1.951 121.914 119.914 0.082 0.000 2.387 206 V HA 0.174 4.294 4.120 -0.000 0.000 0.260 206 V C 0.287 176.434 176.094 0.088 0.000 1.054 206 V CA -0.191 62.178 62.300 0.115 0.000 0.967 206 V CB -0.417 31.485 31.823 0.133 0.000 1.036 206 V HN 0.302 nan 8.190 nan 0.000 0.481 207 N N 2.615 121.351 118.700 0.061 0.000 3.189 207 N HA 0.237 4.977 4.740 -0.000 0.000 0.204 207 N C -0.129 175.421 175.510 0.066 0.000 1.231 207 N CA -0.283 52.801 53.050 0.058 0.000 1.130 207 N CB 0.555 39.048 38.487 0.009 0.000 1.393 207 N HN 0.500 nan 8.380 nan 0.000 0.540 208 S N 0.219 115.924 115.700 0.008 0.000 2.720 208 S HA 0.440 4.910 4.470 -0.000 0.000 0.278 208 S C -1.828 172.698 174.600 -0.123 0.000 1.172 208 S CA -0.427 57.778 58.200 0.009 0.000 1.019 208 S CB 1.123 64.421 63.200 0.163 0.000 1.049 208 S HN 0.249 nan 8.310 nan 0.000 0.483 209 Q N 3.375 122.984 119.800 -0.318 0.000 2.553 209 Q HA 0.492 4.832 4.340 -0.000 0.000 0.293 209 Q C -2.116 173.598 176.000 -0.477 0.000 1.038 209 Q CA -1.793 53.742 55.803 -0.447 0.000 0.777 209 Q CB 1.498 29.802 28.738 -0.722 0.000 1.487 209 Q HN 0.264 nan 8.270 nan 0.000 0.426 210 P HA -0.204 nan 4.420 nan 0.000 0.216 210 P C 0.644 177.874 177.300 -0.117 0.000 1.154 210 P CA 1.504 64.522 63.100 -0.137 0.000 0.865 210 P CB 0.015 31.710 31.700 -0.009 0.000 0.789 211 F N -2.414 117.548 119.950 0.019 0.000 2.502 211 F HA 0.237 4.764 4.527 -0.000 0.000 0.298 211 F C 0.955 176.767 175.800 0.021 0.000 1.111 211 F CA 0.222 58.235 58.000 0.022 0.000 1.445 211 F CB -0.676 38.340 39.000 0.028 0.000 1.081 211 F HN -0.154 nan 8.300 nan 0.000 0.558 212 M N 1.254 120.626 119.600 -0.379 0.000 2.355 212 M HA 0.323 4.803 4.480 -0.000 0.000 0.232 212 M C -1.466 174.696 176.300 -0.231 0.000 0.988 212 M CA -0.520 54.678 55.300 -0.169 0.000 0.931 212 M CB 0.967 33.574 32.600 0.011 0.000 2.294 212 M HN -0.204 nan 8.290 nan 0.000 0.459 213 R N 3.751 124.170 120.500 -0.135 0.000 2.490 213 R HA 0.254 4.594 4.340 -0.000 0.000 0.278 213 R C 1.108 177.350 176.300 -0.097 0.000 1.069 213 R CA -0.208 55.813 56.100 -0.132 0.000 1.080 213 R CB 0.537 30.725 30.300 -0.185 0.000 1.030 213 R HN 0.956 nan 8.270 nan 0.000 0.491 214 W N 4.378 125.593 121.300 -0.142 0.000 2.318 214 W HA -0.215 4.445 4.660 -0.000 0.000 0.313 214 W C 1.164 177.543 176.519 -0.234 0.000 1.221 214 W CA 0.910 58.157 57.345 -0.163 0.000 1.266 214 W CB -0.524 28.763 29.460 -0.289 0.000 1.150 214 W HN 0.582 nan 8.180 nan 0.000 0.496 215 R N 0.987 120.674 120.500 -1.355 0.000 2.096 215 R HA -0.149 4.191 4.340 -0.000 0.000 0.235 215 R C 1.931 178.014 176.300 -0.363 0.000 1.127 215 R CA 2.116 57.486 56.100 -1.216 0.000 0.968 215 R CB -0.391 28.947 30.300 -1.603 0.000 0.861 215 R HN 0.011 nan 8.270 nan 0.000 0.440 216 D N -0.202 120.043 120.400 -0.258 0.000 2.117 216 D HA -0.186 4.454 4.640 -0.000 0.000 0.198 216 D C 1.859 178.282 176.300 0.205 0.000 0.982 216 D CA 1.014 55.001 54.000 -0.023 0.000 0.828 216 D CB -0.190 40.642 40.800 0.054 0.000 0.967 216 D HN 0.252 nan 8.370 nan 0.000 0.464 217 R N -0.221 120.420 120.500 0.235 0.000 2.073 217 R HA -0.148 4.192 4.340 -0.000 0.000 0.234 217 R C 2.267 178.833 176.300 0.444 0.000 1.134 217 R CA 1.023 57.324 56.100 0.335 0.000 0.952 217 R CB -0.326 30.127 30.300 0.255 0.000 0.850 217 R HN 0.016 nan 8.270 nan 0.000 0.433 218 F N 1.108 121.190 119.950 0.219 0.000 2.095 218 F HA -0.219 4.308 4.527 0.000 0.000 0.298 218 F C 2.273 178.166 175.800 0.155 0.000 1.104 218 F CA 1.260 59.411 58.000 0.253 0.000 1.232 218 F CB -0.886 38.390 39.000 0.460 0.000 0.987 218 F HN 0.081 nan 8.300 nan 0.000 0.475 219 L N -1.452 119.984 121.223 0.355 0.000 2.017 219 L HA -0.261 4.079 4.340 -0.000 0.000 0.208 219 L C 2.365 179.232 176.870 -0.006 0.000 1.073 219 L CA 1.526 56.430 54.840 0.107 0.000 0.745 219 L CB -0.490 41.533 42.059 -0.060 0.000 0.894 219 L HN -0.020 nan 8.230 nan 0.000 0.432 220 F N -0.912 119.113 119.950 0.126 0.000 2.234 220 F HA -0.180 4.346 4.527 -0.000 0.000 0.299 220 F C 2.589 178.416 175.800 0.046 0.000 1.087 220 F CA 1.066 59.115 58.000 0.083 0.000 1.340 220 F CB -1.037 38.016 39.000 0.087 0.000 1.031 220 F HN 0.192 nan 8.300 nan 0.000 0.500 221 C N -0.426 118.992 119.300 0.197 0.000 2.435 221 C HA -0.031 4.429 4.460 -0.000 0.000 0.279 221 C C 3.067 178.030 174.990 -0.046 0.000 1.321 221 C CA 0.860 59.878 59.018 -0.000 0.000 1.752 221 C CB -1.538 26.098 27.740 -0.173 0.000 1.959 221 C HN 0.490 nan 8.230 nan 0.000 0.500 222 A N 0.276 123.083 122.820 -0.022 0.000 1.873 222 A HA -0.204 4.116 4.320 -0.000 0.000 0.215 222 A C 2.167 179.740 177.584 -0.019 0.000 1.186 222 A CA 1.714 53.679 52.037 -0.119 0.000 0.616 222 A CB -0.667 18.321 19.000 -0.020 0.000 0.823 222 A HN 0.672 nan 8.150 nan 0.000 0.442 223 E N -0.043 120.218 120.200 0.102 0.000 2.058 223 E HA -0.179 4.171 4.350 -0.000 0.000 0.194 223 E C 2.180 178.842 176.600 0.104 0.000 0.997 223 E CA 1.143 57.631 56.400 0.147 0.000 0.801 223 E CB -0.247 29.538 29.700 0.141 0.000 0.746 223 E HN 0.526 nan 8.360 nan 0.000 0.450 224 A N 1.280 124.150 122.820 0.083 0.000 1.858 224 A HA -0.195 4.125 4.320 -0.000 0.000 0.216 224 A C 2.232 179.877 177.584 0.103 0.000 1.190 224 A CA 1.841 53.931 52.037 0.089 0.000 0.617 224 A CB -0.835 18.231 19.000 0.110 0.000 0.827 224 A HN 0.401 nan 8.150 nan 0.000 0.443 225 L N -3.319 117.903 121.223 -0.001 0.000 2.141 225 L HA -0.048 4.292 4.340 -0.000 0.000 0.209 225 L C 2.184 179.050 176.870 -0.007 0.000 1.094 225 L CA 1.776 56.594 54.840 -0.035 0.000 0.763 225 L CB -1.180 40.794 42.059 -0.141 0.000 0.908 225 L HN 0.264 nan 8.230 nan 0.000 0.437 226 Y N 0.595 120.932 120.300 0.062 0.000 2.314 226 Y HA -0.056 4.494 4.550 -0.000 0.000 0.293 226 Y C 2.727 178.653 175.900 0.044 0.000 1.129 226 Y CA 1.266 59.392 58.100 0.043 0.000 1.201 226 Y CB -0.535 37.939 38.460 0.023 0.000 0.999 226 Y HN 0.313 nan 8.280 nan 0.000 0.541 227 K N 0.169 120.678 120.400 0.181 0.000 2.057 227 K HA -0.127 4.193 4.320 -0.000 0.000 0.206 227 K C 2.289 179.006 176.600 0.194 0.000 1.050 227 K CA 1.101 57.443 56.287 0.093 0.000 0.935 227 K CB -0.208 32.218 32.500 -0.124 0.000 0.715 227 K HN 0.207 nan 8.250 nan 0.000 0.439 228 A N 1.169 124.161 122.820 0.287 0.000 1.902 228 A HA -0.236 4.084 4.320 -0.000 0.000 0.217 228 A C 2.090 179.762 177.584 0.148 0.000 1.181 228 A CA 1.696 53.896 52.037 0.272 0.000 0.623 228 A CB -0.627 18.495 19.000 0.203 0.000 0.818 228 A HN 0.567 nan 8.150 nan 0.000 0.443 229 Q N -0.548 119.333 119.800 0.134 0.000 2.084 229 Q HA -0.109 4.231 4.340 -0.000 0.000 0.202 229 Q C 2.162 178.220 176.000 0.097 0.000 0.978 229 Q CA 1.633 57.499 55.803 0.106 0.000 0.844 229 Q CB -0.356 28.466 28.738 0.140 0.000 0.898 229 Q HN 0.591 nan 8.270 nan 0.000 0.426 230 A N 0.701 123.587 122.820 0.111 0.000 1.933 230 A HA -0.238 4.082 4.320 -0.000 0.000 0.218 230 A C 1.892 179.519 177.584 0.072 0.000 1.175 230 A CA 1.636 53.721 52.037 0.079 0.000 0.628 230 A CB -0.646 18.396 19.000 0.070 0.000 0.814 230 A HN 0.636 nan 8.150 nan 0.000 0.444 231 E N -0.413 119.845 120.200 0.096 0.000 2.072 231 E HA -0.168 4.182 4.350 -0.000 0.000 0.191 231 E C 2.052 178.689 176.600 0.062 0.000 0.985 231 E CA 1.837 58.292 56.400 0.092 0.000 0.801 231 E CB -0.089 29.702 29.700 0.151 0.000 0.750 231 E HN 0.726 nan 8.360 nan 0.000 0.452 232 T N -3.845 110.741 114.554 0.054 0.000 3.044 232 T HA 0.225 4.575 4.350 -0.000 0.000 0.255 232 T C 1.567 176.280 174.700 0.021 0.000 1.073 232 T CA 0.745 62.862 62.100 0.028 0.000 1.125 232 T CB 0.441 69.316 68.868 0.011 0.000 0.908 232 T HN 0.353 nan 8.240 nan 0.000 0.480 233 G N 1.149 109.966 108.800 0.029 0.000 2.179 233 G HA2 -0.207 3.753 3.960 -0.000 0.000 0.260 233 G HA3 -0.207 3.753 3.960 -0.000 0.000 0.260 233 G C -0.249 174.660 174.900 0.014 0.000 0.977 233 G CA 0.181 45.294 45.100 0.023 0.000 0.641 233 G HN 0.674 nan 8.290 nan 0.000 0.533 234 E N -0.323 119.881 120.200 0.006 0.000 2.195 234 E HA 0.577 4.927 4.350 -0.000 0.000 0.271 234 E C 0.357 176.948 176.600 -0.014 0.000 0.923 234 E CA -1.053 55.338 56.400 -0.015 0.000 0.790 234 E CB 1.745 31.422 29.700 -0.038 0.000 1.155 234 E HN 0.299 nan 8.360 nan 0.000 0.402 235 I N 3.235 123.790 120.570 -0.024 0.000 2.618 235 I HA -0.008 4.162 4.170 -0.000 0.000 0.284 235 I C 0.431 176.520 176.117 -0.046 0.000 1.146 235 I CA 0.415 61.708 61.300 -0.010 0.000 1.425 235 I CB 0.075 38.071 38.000 -0.007 0.000 1.383 235 I HN 0.188 nan 8.210 nan 0.000 0.562 236 K N 4.475 124.874 120.400 -0.003 0.000 2.295 236 K HA 0.818 5.138 4.320 -0.000 0.000 0.239 236 K C -0.247 176.397 176.600 0.072 0.000 0.991 236 K CA -0.761 55.519 56.287 -0.012 0.000 0.845 236 K CB 2.177 34.680 32.500 0.006 0.000 1.197 236 K HN 0.785 nan 8.250 nan 0.000 0.441 237 G N -0.014 108.891 108.800 0.175 0.000 2.720 237 G HA2 0.428 4.388 3.960 -0.000 0.000 0.295 237 G HA3 0.428 4.388 3.960 -0.000 0.000 0.295 237 G C -2.080 172.994 174.900 0.290 0.000 1.437 237 G CA -0.417 44.859 45.100 0.294 0.000 0.886 237 G HN 0.604 nan 8.290 nan 0.000 0.509 238 H N 0.245 119.364 119.070 0.082 0.000 2.823 238 H HA 0.533 5.088 4.556 -0.000 0.000 0.332 238 H C -1.078 174.275 175.328 0.041 0.000 0.980 238 H CA -0.798 55.244 56.048 -0.009 0.000 1.286 238 H CB 0.739 30.486 29.762 -0.025 0.000 1.541 238 H HN 0.378 nan 8.280 nan 0.000 0.521 239 Y N 5.236 125.238 120.300 -0.496 0.000 2.730 239 Y HA 0.062 4.612 4.550 -0.000 0.000 0.354 239 Y C -0.153 175.564 175.900 -0.306 0.000 1.139 239 Y CA -0.701 57.179 58.100 -0.366 0.000 1.516 239 Y CB -0.635 37.606 38.460 -0.366 0.000 1.204 239 Y HN 0.434 nan 8.280 nan 0.000 0.520 240 L N 4.630 125.816 121.223 -0.062 0.000 2.313 240 L HA 0.123 4.463 4.340 -0.000 0.000 0.282 240 L C 0.473 177.329 176.870 -0.024 0.000 1.092 240 L CA -0.418 54.296 54.840 -0.211 0.000 0.831 240 L CB -0.015 41.575 42.059 -0.781 0.000 1.159 240 L HN 0.541 nan 8.230 nan 0.000 0.442 241 N N 2.684 121.459 118.700 0.125 0.000 2.431 241 N HA 0.136 4.876 4.740 -0.000 0.000 0.265 241 N C 0.486 176.156 175.510 0.266 0.000 1.184 241 N CA 0.220 53.383 53.050 0.188 0.000 0.943 241 N CB 1.396 39.984 38.487 0.168 0.000 1.080 241 N HN 0.678 nan 8.380 nan 0.000 0.477 242 A N 2.758 125.696 122.820 0.196 0.000 2.308 242 A HA 0.104 4.424 4.320 -0.000 0.000 0.217 242 A C 0.691 178.319 177.584 0.073 0.000 1.216 242 A CA -0.080 52.029 52.037 0.121 0.000 0.864 242 A CB -0.202 18.836 19.000 0.064 0.000 0.902 242 A HN 0.564 nan 8.150 nan 0.000 0.499 243 T N 1.883 116.532 114.554 0.159 0.000 2.866 243 T HA 0.431 4.781 4.350 -0.000 0.000 0.293 243 T C 0.279 174.989 174.700 0.017 0.000 1.005 243 T CA 0.967 63.158 62.100 0.151 0.000 1.162 243 T CB 0.574 69.468 68.868 0.044 0.000 0.968 243 T HN 0.702 nan 8.240 nan 0.000 0.530 244 A N 2.578 125.397 122.820 -0.001 0.000 2.567 244 A HA 0.826 5.146 4.320 -0.000 0.000 0.289 244 A C 1.324 178.882 177.584 -0.044 0.000 1.177 244 A CA -0.270 51.726 52.037 -0.068 0.000 0.694 244 A CB 0.593 19.502 19.000 -0.150 0.000 1.292 244 A HN 0.744 nan 8.150 nan 0.000 0.425 245 G N -0.889 107.876 108.800 -0.058 0.000 2.430 245 G HA2 0.346 4.306 3.960 -0.000 0.000 0.216 245 G HA3 0.346 4.306 3.960 -0.000 0.000 0.216 245 G C 0.700 175.578 174.900 -0.037 0.000 1.146 245 G CA 1.796 46.871 45.100 -0.041 0.000 0.793 245 G HN 1.559 nan 8.290 nan 0.000 0.537 246 T N -4.128 110.395 114.554 -0.052 0.000 2.901 246 T HA 0.312 4.662 4.350 -0.000 0.000 0.293 246 T C 0.981 175.642 174.700 -0.063 0.000 1.084 246 T CA -0.188 61.883 62.100 -0.048 0.000 1.008 246 T CB 1.400 70.239 68.868 -0.048 0.000 1.170 246 T HN -0.065 nan 8.240 nan 0.000 0.509 247 C N 0.578 119.845 119.300 -0.056 0.000 2.429 247 C HA -0.015 4.445 4.460 -0.000 0.000 0.277 247 C C 2.651 177.580 174.990 -0.101 0.000 1.262 247 C CA 0.907 59.881 59.018 -0.073 0.000 1.733 247 C CB -1.385 26.322 27.740 -0.054 0.000 2.010 247 C HN 1.020 nan 8.230 nan 0.000 0.483 248 E N 1.296 121.445 120.200 -0.085 0.000 2.085 248 E HA -0.169 4.181 4.350 -0.000 0.000 0.194 248 E C 1.699 178.220 176.600 -0.131 0.000 0.994 248 E CA 1.410 57.754 56.400 -0.093 0.000 0.801 248 E CB -0.324 29.338 29.700 -0.064 0.000 0.743 248 E HN 0.552 nan 8.360 nan 0.000 0.453 249 D N -0.242 120.073 120.400 -0.141 0.000 2.144 249 D HA -0.121 4.519 4.640 -0.000 0.000 0.200 249 D C 1.840 177.959 176.300 -0.301 0.000 0.978 249 D CA 0.715 54.586 54.000 -0.214 0.000 0.833 249 D CB -0.175 40.511 40.800 -0.190 0.000 0.961 249 D HN 0.170 nan 8.370 nan 0.000 0.470 250 M N -0.241 119.223 119.600 -0.226 0.000 2.086 250 M HA -0.181 4.299 4.480 -0.000 0.000 0.261 250 M C 1.762 177.902 176.300 -0.268 0.000 1.067 250 M CA 1.215 56.377 55.300 -0.229 0.000 1.116 250 M CB 0.046 32.541 32.600 -0.174 0.000 1.348 250 M HN -0.102 nan 8.290 nan 0.000 0.407 251 M N 0.245 119.691 119.600 -0.258 0.000 2.117 251 M HA -0.200 4.280 4.480 -0.000 0.000 0.262 251 M C 2.023 178.154 176.300 -0.282 0.000 1.065 251 M CA 1.752 56.862 55.300 -0.316 0.000 1.114 251 M CB -1.341 31.101 32.600 -0.264 0.000 1.361 251 M HN 0.271 nan 8.290 nan 0.000 0.408 252 K N -0.179 120.079 120.400 -0.236 0.000 2.113 252 K HA -0.162 4.158 4.320 -0.000 0.000 0.208 252 K C 2.112 178.579 176.600 -0.222 0.000 1.047 252 K CA 1.436 57.619 56.287 -0.174 0.000 0.928 252 K CB 0.039 32.436 32.500 -0.173 0.000 0.716 252 K HN 0.296 nan 8.250 nan 0.000 0.446 253 R N -0.633 119.565 120.500 -0.503 0.000 2.093 253 R HA 0.002 4.342 4.340 -0.000 0.000 0.224 253 R C 2.293 178.658 176.300 0.108 0.000 1.101 253 R CA 0.981 56.765 56.100 -0.527 0.000 0.979 253 R CB -0.159 29.683 30.300 -0.763 0.000 0.877 253 R HN 0.145 nan 8.270 nan 0.000 0.441 254 A N 0.825 123.637 122.820 -0.013 0.000 1.930 254 A HA -0.079 4.241 4.320 -0.000 0.000 0.217 254 A C 2.315 179.999 177.584 0.168 0.000 1.175 254 A CA 1.096 53.175 52.037 0.069 0.000 0.627 254 A CB -0.428 18.473 19.000 -0.164 0.000 0.815 254 A HN 0.090 nan 8.150 nan 0.000 0.443 255 V N -1.199 118.751 119.914 0.059 0.000 2.343 255 V HA -0.225 3.895 4.120 -0.000 0.000 0.247 255 V C 2.268 178.565 176.094 0.338 0.000 1.051 255 V CA 2.105 64.523 62.300 0.198 0.000 1.036 255 V CB -0.872 31.018 31.823 0.111 0.000 0.654 255 V HN 0.626 nan 8.190 nan 0.000 0.451 256 F N 1.464 121.556 119.950 0.237 0.000 2.186 256 F HA -0.058 4.470 4.527 0.000 0.000 0.299 256 F C 2.248 178.258 175.800 0.350 0.000 1.090 256 F CA 0.946 59.129 58.000 0.304 0.000 1.307 256 F CB -0.696 38.551 39.000 0.411 0.000 1.019 256 F HN 0.085 nan 8.300 nan 0.000 0.489 257 A N 0.616 123.646 122.820 0.350 0.000 1.933 257 A HA -0.191 4.129 4.320 -0.000 0.000 0.218 257 A C 2.450 180.084 177.584 0.084 0.000 1.175 257 A CA 1.457 53.593 52.037 0.164 0.000 0.628 257 A CB -0.726 18.398 19.000 0.206 0.000 0.814 257 A HN 0.294 nan 8.150 nan 0.000 0.444 258 R N 0.053 120.654 120.500 0.168 0.000 2.073 258 R HA -0.147 4.193 4.340 -0.000 0.000 0.234 258 R C 2.072 178.427 176.300 0.093 0.000 1.134 258 R CA 1.951 58.140 56.100 0.148 0.000 0.952 258 R CB -0.632 29.808 30.300 0.233 0.000 0.850 258 R HN 0.774 nan 8.270 nan 0.000 0.433 259 E N 0.221 120.479 120.200 0.095 0.000 2.153 259 E HA -0.156 4.194 4.350 -0.000 0.000 0.194 259 E C 1.991 178.581 176.600 -0.017 0.000 0.988 259 E CA 0.921 57.362 56.400 0.067 0.000 0.811 259 E CB -0.035 29.758 29.700 0.156 0.000 0.746 259 E HN 0.322 nan 8.360 nan 0.000 0.466 260 L N -0.681 120.466 121.223 -0.127 0.000 2.376 260 L HA 0.044 4.384 4.340 -0.000 0.000 0.219 260 L C 1.650 178.567 176.870 0.079 0.000 1.133 260 L CA 0.599 55.384 54.840 -0.091 0.000 0.816 260 L CB -0.090 41.838 42.059 -0.219 0.000 0.933 260 L HN 0.420 nan 8.230 nan 0.000 0.449 261 G N 0.357 109.199 108.800 0.070 0.000 2.148 261 G HA2 -0.268 3.692 3.960 -0.000 0.000 0.254 261 G HA3 -0.268 3.692 3.960 -0.000 0.000 0.254 261 G C 0.427 175.418 174.900 0.150 0.000 0.981 261 G CA 0.272 45.441 45.100 0.114 0.000 0.670 261 G HN 0.270 nan 8.290 nan 0.000 0.528 262 V N -1.925 118.042 119.914 0.089 0.000 3.051 262 V HA 0.666 4.786 4.120 -0.000 0.000 0.306 262 V C 0.101 176.216 176.094 0.035 0.000 1.083 262 V CA -0.683 61.634 62.300 0.028 0.000 1.104 262 V CB 1.147 32.933 31.823 -0.062 0.000 1.027 262 V HN 0.104 nan 8.190 nan 0.000 0.483 263 P HA 0.285 nan 4.420 nan 0.000 0.234 263 P C 0.122 177.421 177.300 -0.001 0.000 1.175 263 P CA 0.667 63.783 63.100 0.026 0.000 0.801 263 P CB 0.698 32.434 31.700 0.060 0.000 0.891 264 I N 0.042 120.614 120.570 0.004 0.000 2.827 264 I HA 0.348 4.518 4.170 -0.000 0.000 0.298 264 I C -1.361 174.732 176.117 -0.041 0.000 1.235 264 I CA -1.307 59.963 61.300 -0.051 0.000 1.021 264 I CB 2.605 40.537 38.000 -0.114 0.000 1.259 264 I HN -0.289 nan 8.210 nan 0.000 0.427 265 V N 4.230 124.106 119.914 -0.063 0.000 3.126 265 V HA 0.728 4.848 4.120 -0.000 0.000 0.314 265 V C -0.565 175.502 176.094 -0.045 0.000 1.138 265 V CA -0.799 61.486 62.300 -0.025 0.000 1.034 265 V CB 1.822 33.667 31.823 0.036 0.000 1.075 265 V HN 0.915 nan 8.190 nan 0.000 0.442 266 M N 0.924 120.546 119.600 0.037 0.000 2.658 266 M HA 0.723 5.203 4.480 -0.000 0.000 0.295 266 M C -1.141 175.262 176.300 0.171 0.000 1.248 266 M CA -0.514 54.838 55.300 0.087 0.000 0.843 266 M CB 2.482 35.195 32.600 0.188 0.000 1.749 266 M HN 1.047 nan 8.290 nan 0.000 0.464 267 H N 0.167 119.254 119.070 0.028 0.000 3.038 267 H HA 0.294 4.850 4.556 -0.000 0.000 0.362 267 H C -1.824 173.537 175.328 0.055 0.000 1.167 267 H CA -0.600 55.462 56.048 0.025 0.000 1.197 267 H CB 2.102 31.865 29.762 0.001 0.000 1.840 267 H HN 0.862 nan 8.280 nan 0.000 0.540 268 D N 5.287 125.435 120.400 -0.420 0.000 2.468 268 D HA -0.012 4.628 4.640 -0.000 0.000 0.218 268 D C 1.059 177.067 176.300 -0.487 0.000 1.155 268 D CA -0.194 53.644 54.000 -0.269 0.000 0.924 268 D CB 0.050 40.727 40.800 -0.205 0.000 1.029 268 D HN 0.527 nan 8.370 nan 0.000 0.515 269 Y N 1.190 121.217 120.300 -0.456 0.000 2.315 269 Y HA -0.124 4.427 4.550 0.000 0.000 0.288 269 Y C 1.207 176.834 175.900 -0.455 0.000 1.154 269 Y CA 1.020 58.880 58.100 -0.400 0.000 1.229 269 Y CB -0.474 37.848 38.460 -0.231 0.000 0.980 269 Y HN 0.256 nan 8.280 nan 0.000 0.540 270 L N 0.221 121.016 121.223 -0.713 0.000 2.168 270 L HA -0.043 4.297 4.340 -0.000 0.000 0.203 270 L C 2.613 179.259 176.870 -0.373 0.000 1.078 270 L CA 1.440 55.861 54.840 -0.699 0.000 0.780 270 L CB -0.821 40.874 42.059 -0.607 0.000 0.939 270 L HN 0.385 nan 8.230 nan 0.000 0.451 271 T N -3.282 111.109 114.554 -0.271 0.000 2.985 271 T HA -0.013 4.337 4.350 -0.000 0.000 0.266 271 T C 1.843 176.446 174.700 -0.162 0.000 1.076 271 T CA 0.859 62.851 62.100 -0.180 0.000 1.135 271 T CB -0.408 68.379 68.868 -0.135 0.000 0.890 271 T HN 0.324 nan 8.240 nan 0.000 0.480 272 G N 1.294 109.962 108.800 -0.220 0.000 2.396 272 G HA2 0.449 4.409 3.960 -0.000 0.000 0.214 272 G HA3 0.449 4.409 3.960 -0.000 0.000 0.214 272 G C 0.826 175.700 174.900 -0.044 0.000 1.166 272 G CA 0.185 45.221 45.100 -0.106 0.000 0.793 272 G HN 1.229 nan 8.290 nan 0.000 0.533 273 G N -1.888 106.834 108.800 -0.130 0.000 2.576 273 G HA2 0.007 3.967 3.960 -0.000 0.000 0.686 273 G HA3 0.007 3.967 3.960 -0.000 0.000 0.686 273 G C 0.077 174.952 174.900 -0.041 0.000 1.242 273 G CA -0.238 44.802 45.100 -0.101 0.000 0.819 273 G HN 0.062 nan 8.290 nan 0.000 0.655 274 F N 0.683 120.693 119.950 0.101 0.000 2.171 274 F HA -0.009 4.518 4.527 -0.000 0.000 0.300 274 F C 3.075 178.929 175.800 0.089 0.000 1.090 274 F CA 2.279 60.357 58.000 0.131 0.000 1.293 274 F CB -0.433 38.647 39.000 0.134 0.000 1.013 274 F HN 0.555 nan 8.300 nan 0.000 0.486 275 T N -0.269 114.427 114.554 0.235 0.000 2.708 275 T HA -0.176 4.174 4.350 -0.000 0.000 0.266 275 T C 2.317 177.056 174.700 0.065 0.000 1.037 275 T CA 1.427 63.602 62.100 0.126 0.000 1.146 275 T CB -0.666 68.258 68.868 0.093 0.000 0.865 275 T HN 0.280 nan 8.240 nan 0.000 0.435 276 A N 1.566 124.427 122.820 0.067 0.000 1.930 276 A HA -0.112 4.208 4.320 -0.000 0.000 0.217 276 A C 2.140 179.702 177.584 -0.037 0.000 1.175 276 A CA 1.928 53.973 52.037 0.013 0.000 0.627 276 A CB -0.834 18.198 19.000 0.053 0.000 0.815 276 A HN 0.516 nan 8.150 nan 0.000 0.443 277 N N -0.544 118.213 118.700 0.095 0.000 2.188 277 N HA -0.112 4.628 4.740 -0.000 0.000 0.184 277 N C 1.602 177.105 175.510 -0.011 0.000 1.018 277 N CA 2.110 55.209 53.050 0.082 0.000 0.858 277 N CB -0.275 38.372 38.487 0.267 0.000 0.989 277 N HN 0.380 nan 8.380 nan 0.000 0.426 278 T N -1.352 113.197 114.554 -0.009 0.000 2.867 278 T HA -0.073 4.277 4.350 -0.000 0.000 0.268 278 T C 1.735 176.207 174.700 -0.379 0.000 1.057 278 T CA 1.482 63.476 62.100 -0.177 0.000 1.136 278 T CB -0.546 68.243 68.868 -0.132 0.000 0.874 278 T HN 0.269 nan 8.240 nan 0.000 0.466 279 T N 2.232 116.662 114.554 -0.205 0.000 2.708 279 T HA -0.009 4.341 4.350 -0.000 0.000 0.266 279 T C 1.861 176.517 174.700 -0.074 0.000 1.037 279 T CA 0.786 62.800 62.100 -0.143 0.000 1.146 279 T CB -0.407 68.411 68.868 -0.084 0.000 0.865 279 T HN 0.118 nan 8.240 nan 0.000 0.435 280 L N 1.040 122.196 121.223 -0.113 0.000 2.093 280 L HA 0.043 4.383 4.340 -0.000 0.000 0.208 280 L C 2.597 179.485 176.870 0.030 0.000 1.085 280 L CA 1.663 56.463 54.840 -0.066 0.000 0.755 280 L CB -0.977 40.936 42.059 -0.243 0.000 0.904 280 L HN 0.180 nan 8.230 nan 0.000 0.435 281 S N -1.396 114.291 115.700 -0.021 0.000 2.370 281 S HA -0.250 4.220 4.470 -0.000 0.000 0.226 281 S C 2.001 176.687 174.600 0.144 0.000 1.033 281 S CA 1.611 59.831 58.200 0.034 0.000 1.011 281 S CB -0.488 62.723 63.200 0.019 0.000 0.852 281 S HN 0.739 nan 8.310 nan 0.000 0.457 282 H N -2.082 117.003 119.070 0.025 0.000 2.395 282 H HA -0.051 4.505 4.556 0.000 0.000 0.299 282 H C 2.031 177.371 175.328 0.021 0.000 1.070 282 H CA 1.425 57.480 56.048 0.012 0.000 1.356 282 H CB -0.188 29.588 29.762 0.024 0.000 1.401 282 H HN 0.553 nan 8.280 nan 0.000 0.524 283 Y N 1.070 121.426 120.300 0.093 0.000 2.181 283 Y HA -0.268 4.282 4.550 0.000 0.000 0.288 283 Y C 2.419 178.343 175.900 0.039 0.000 1.146 283 Y CA 1.065 59.193 58.100 0.047 0.000 1.164 283 Y CB -0.645 37.825 38.460 0.016 0.000 0.982 283 Y HN 0.191 nan 8.280 nan 0.000 0.515 284 C N 0.389 119.723 119.300 0.056 0.000 2.425 284 C HA -0.135 4.325 4.460 -0.000 0.000 0.277 284 C C 2.827 177.782 174.990 -0.059 0.000 1.280 284 C CA 1.497 60.518 59.018 0.005 0.000 1.744 284 C CB -1.290 26.496 27.740 0.077 0.000 1.989 284 C HN 0.604 nan 8.230 nan 0.000 0.491 285 R N 0.925 121.360 120.500 -0.107 0.000 2.090 285 R HA -0.094 4.246 4.340 -0.000 0.000 0.228 285 R C 1.491 177.716 176.300 -0.125 0.000 1.110 285 R CA 1.626 57.615 56.100 -0.184 0.000 0.973 285 R CB -0.364 29.824 30.300 -0.186 0.000 0.869 285 R HN 0.423 nan 8.270 nan 0.000 0.440 286 D N 0.073 120.383 120.400 -0.150 0.000 2.312 286 D HA -0.066 4.574 4.640 -0.000 0.000 0.211 286 D C 0.429 176.611 176.300 -0.197 0.000 0.964 286 D CA 0.799 54.706 54.000 -0.156 0.000 0.877 286 D CB 0.084 40.795 40.800 -0.148 0.000 0.924 286 D HN 0.332 nan 8.370 nan 0.000 0.515 287 N N -0.741 117.798 118.700 -0.269 0.000 2.197 287 N HA 0.109 4.849 4.740 -0.000 0.000 0.228 287 N C 0.866 176.330 175.510 -0.076 0.000 1.212 287 N CA 0.288 53.198 53.050 -0.232 0.000 0.883 287 N CB 1.922 40.120 38.487 -0.481 0.000 1.107 287 N HN 0.053 nan 8.380 nan 0.000 0.519 288 G N 1.596 110.411 108.800 0.024 0.000 2.179 288 G HA2 -0.271 3.689 3.960 -0.000 0.000 0.257 288 G HA3 -0.271 3.689 3.960 -0.000 0.000 0.257 288 G C -0.130 174.791 174.900 0.036 0.000 1.010 288 G CA 0.166 45.328 45.100 0.102 0.000 0.736 288 G HN 0.246 nan 8.290 nan 0.000 0.513 289 L N 0.063 121.347 121.223 0.102 0.000 2.289 289 L HA 0.561 4.901 4.340 -0.000 0.000 0.285 289 L C 1.119 178.050 176.870 0.102 0.000 1.049 289 L CA -1.034 53.842 54.840 0.059 0.000 0.804 289 L CB 1.304 43.410 42.059 0.079 0.000 1.195 289 L HN 0.041 nan 8.230 nan 0.000 0.428 290 L N 3.651 124.844 121.223 -0.049 0.000 2.417 290 L HA 0.239 4.579 4.340 -0.000 0.000 0.268 290 L C -0.395 176.406 176.870 -0.114 0.000 1.158 290 L CA -0.295 54.498 54.840 -0.078 0.000 0.819 290 L CB 1.031 42.974 42.059 -0.193 0.000 1.112 290 L HN 0.395 nan 8.230 nan 0.000 0.458 291 L N 2.846 123.978 121.223 -0.151 0.000 2.342 291 L HA 0.342 4.682 4.340 -0.000 0.000 0.276 291 L C -0.571 176.107 176.870 -0.320 0.000 0.997 291 L CA -0.253 54.482 54.840 -0.176 0.000 0.838 291 L CB 1.037 43.050 42.059 -0.076 0.000 1.224 291 L HN 0.450 nan 8.230 nan 0.000 0.416 292 H N 5.420 124.184 119.070 -0.510 0.000 2.562 292 H HA 0.561 5.117 4.556 -0.000 0.000 0.314 292 H C -0.863 174.327 175.328 -0.230 0.000 1.079 292 H CA -0.443 55.263 56.048 -0.571 0.000 1.349 292 H CB 0.739 29.872 29.762 -1.048 0.000 1.432 292 H HN 0.505 nan 8.280 nan 0.000 0.479 293 I N 5.754 125.937 120.570 -0.645 0.000 2.354 293 I HA 0.122 4.292 4.170 -0.000 0.000 0.292 293 I C 0.072 175.949 176.117 -0.399 0.000 0.989 293 I CA -0.431 60.627 61.300 -0.403 0.000 1.188 293 I CB 0.966 38.715 38.000 -0.418 0.000 1.342 293 I HN 0.727 nan 8.210 nan 0.000 0.457 294 H N 7.430 126.358 119.070 -0.236 0.000 2.467 294 H HA 0.315 4.871 4.556 -0.000 0.000 0.326 294 H C 0.310 175.591 175.328 -0.079 0.000 1.094 294 H CA -0.510 55.384 56.048 -0.256 0.000 1.253 294 H CB 1.412 31.077 29.762 -0.161 0.000 1.439 294 H HN 0.584 nan 8.280 nan 0.000 0.479 295 R N 3.258 123.563 120.500 -0.325 0.000 2.752 295 R HA 0.398 4.738 4.340 -0.000 0.000 0.279 295 R C 0.133 176.478 176.300 0.075 0.000 1.212 295 R CA -0.418 55.701 56.100 0.030 0.000 1.169 295 R CB -0.148 30.110 30.300 -0.071 0.000 1.286 295 R HN 0.365 nan 8.270 nan 0.000 0.564 296 A N 2.086 125.044 122.820 0.231 0.000 2.587 296 A HA 0.078 4.398 4.320 -0.000 0.000 0.235 296 A C 1.092 178.703 177.584 0.045 0.000 1.044 296 A CA 0.949 53.109 52.037 0.205 0.000 0.754 296 A CB -0.364 18.731 19.000 0.158 0.000 0.968 296 A HN 0.977 nan 8.150 nan 0.000 0.509 297 M N 0.825 120.426 119.600 0.002 0.000 2.961 297 M HA -0.324 4.156 4.480 -0.000 0.000 0.198 297 M C 0.542 176.774 176.300 -0.113 0.000 0.610 297 M CA 2.448 57.699 55.300 -0.082 0.000 0.755 297 M CB -2.611 29.935 32.600 -0.090 0.000 2.707 297 M HN 1.261 nan 8.290 nan 0.000 0.299 298 H N -0.166 118.844 119.070 -0.101 0.000 2.387 298 H HA 0.361 4.917 4.556 0.000 0.000 0.299 298 H C 1.938 177.219 175.328 -0.079 0.000 1.090 298 H CA 1.954 57.956 56.048 -0.077 0.000 1.332 298 H CB -0.634 29.110 29.762 -0.029 0.000 1.386 298 H HN 0.602 nan 8.280 nan 0.000 0.516 299 A N 1.136 123.374 122.820 -0.969 0.000 2.125 299 A HA -0.042 4.278 4.320 -0.000 0.000 0.219 299 A C 2.441 179.860 177.584 -0.274 0.000 1.156 299 A CA 1.242 52.908 52.037 -0.618 0.000 0.671 299 A CB -0.781 17.858 19.000 -0.602 0.000 0.794 299 A HN 0.375 nan 8.150 nan 0.000 0.459 300 V N -0.373 119.410 119.914 -0.218 0.000 2.626 300 V HA -0.193 3.927 4.120 -0.000 0.000 0.252 300 V C 2.131 178.170 176.094 -0.092 0.000 1.067 300 V CA 1.916 64.139 62.300 -0.128 0.000 1.081 300 V CB -0.465 31.292 31.823 -0.110 0.000 0.686 300 V HN 0.616 nan 8.190 nan 0.000 0.468 301 I N 0.489 120.998 120.570 -0.101 0.000 3.172 301 I HA 0.019 4.189 4.170 -0.000 0.000 0.278 301 I C 1.623 177.710 176.117 -0.050 0.000 1.174 301 I CA 0.905 62.158 61.300 -0.078 0.000 1.445 301 I CB -0.061 37.879 38.000 -0.100 0.000 1.175 301 I HN 0.430 nan 8.210 nan 0.000 0.447 302 D N -0.193 120.178 120.400 -0.048 0.000 2.395 302 D HA -0.028 4.612 4.640 -0.000 0.000 0.213 302 D C 1.795 178.063 176.300 -0.053 0.000 1.110 302 D CA -0.060 53.919 54.000 -0.036 0.000 0.835 302 D CB 0.073 40.877 40.800 0.006 0.000 0.965 302 D HN -0.057 nan 8.370 nan 0.000 0.505 303 R N 0.391 120.858 120.500 -0.055 0.000 2.057 303 R HA 0.021 4.361 4.340 -0.000 0.000 0.229 303 R C 0.488 176.794 176.300 0.009 0.000 1.136 303 R CA 1.174 57.251 56.100 -0.039 0.000 0.952 303 R CB -0.195 30.067 30.300 -0.063 0.000 0.848 303 R HN 0.077 nan 8.270 nan 0.000 0.430 304 Q N 0.870 120.688 119.800 0.030 0.000 2.293 304 Q HA 0.020 4.360 4.340 -0.000 0.000 0.251 304 Q C 0.198 176.253 176.000 0.091 0.000 0.930 304 Q CA 0.119 55.959 55.803 0.061 0.000 0.893 304 Q CB 1.354 30.135 28.738 0.072 0.000 1.215 304 Q HN 0.227 nan 8.270 nan 0.000 0.425 305 K N 2.385 122.842 120.400 0.095 0.000 2.217 305 K HA -0.124 4.196 4.320 -0.000 0.000 0.202 305 K C 1.152 177.819 176.600 0.111 0.000 1.051 305 K CA 1.185 57.539 56.287 0.113 0.000 0.952 305 K CB 0.332 32.892 32.500 0.100 0.000 0.736 305 K HN 0.591 nan 8.250 nan 0.000 0.453 306 N N -0.785 117.984 118.700 0.114 0.000 2.415 306 N HA -0.113 4.627 4.740 -0.000 0.000 0.176 306 N C -0.157 175.471 175.510 0.196 0.000 1.042 306 N CA 0.671 53.797 53.050 0.127 0.000 0.902 306 N CB 0.052 38.603 38.487 0.108 0.000 0.986 306 N HN 0.166 nan 8.380 nan 0.000 0.447 307 H N -1.261 117.869 119.070 0.099 0.000 2.954 307 H HA 0.579 5.135 4.556 0.000 0.000 0.361 307 H C 0.154 175.577 175.328 0.158 0.000 1.122 307 H CA 0.483 56.619 56.048 0.148 0.000 1.217 307 H CB 1.625 31.460 29.762 0.123 0.000 1.776 307 H HN 0.361 nan 8.280 nan 0.000 0.533 308 G N 2.376 111.102 108.800 -0.123 0.000 2.295 308 G HA2 -0.024 3.936 3.960 -0.000 0.000 0.195 308 G HA3 -0.024 3.936 3.960 -0.000 0.000 0.195 308 G C -1.431 173.476 174.900 0.012 0.000 1.269 308 G CA -0.366 44.699 45.100 -0.058 0.000 1.170 308 G HN 0.643 nan 8.290 nan 0.000 0.511 309 M N 0.876 120.454 119.600 -0.036 0.000 2.267 309 M HA 0.371 4.851 4.480 -0.000 0.000 0.289 309 M C -0.310 176.013 176.300 0.039 0.000 1.043 309 M CA -0.804 54.485 55.300 -0.018 0.000 0.928 309 M CB 2.295 34.803 32.600 -0.153 0.000 1.613 309 M HN 0.757 nan 8.290 nan 0.000 0.450 310 H N 1.942 121.028 119.070 0.026 0.000 2.771 310 H HA 0.055 4.611 4.556 -0.000 0.000 0.364 310 H C 0.134 175.514 175.328 0.088 0.000 1.133 310 H CA 0.803 56.903 56.048 0.087 0.000 1.423 310 H CB 0.859 30.681 29.762 0.100 0.000 1.425 310 H HN 0.777 nan 8.280 nan 0.000 0.606 311 F N 4.707 124.471 119.950 -0.309 0.000 2.202 311 F HA -0.195 4.332 4.527 -0.000 0.000 0.301 311 F C 2.583 178.344 175.800 -0.065 0.000 1.082 311 F CA 1.656 59.538 58.000 -0.197 0.000 1.313 311 F CB -0.110 38.625 39.000 -0.441 0.000 1.024 311 F HN 0.680 nan 8.300 nan 0.000 0.495 312 R N -0.417 120.177 120.500 0.157 0.000 2.159 312 R HA -0.123 4.217 4.340 -0.000 0.000 0.237 312 R C 1.746 178.011 176.300 -0.058 0.000 1.131 312 R CA 1.844 57.951 56.100 0.012 0.000 0.982 312 R CB -1.427 29.042 30.300 0.281 0.000 0.868 312 R HN 0.304 nan 8.270 nan 0.000 0.453 313 V N 1.744 121.661 119.914 0.005 0.000 2.379 313 V HA -0.137 3.983 4.120 -0.000 0.000 0.245 313 V C 2.420 178.548 176.094 0.057 0.000 1.044 313 V CA 1.393 63.723 62.300 0.051 0.000 1.036 313 V CB -0.354 31.516 31.823 0.078 0.000 0.664 313 V HN 0.271 nan 8.190 nan 0.000 0.453 314 L N 0.109 121.295 121.223 -0.062 0.000 2.201 314 L HA -0.105 4.235 4.340 -0.000 0.000 0.212 314 L C 2.655 179.460 176.870 -0.109 0.000 1.105 314 L CA 1.304 56.168 54.840 0.040 0.000 0.775 314 L CB -0.721 41.344 42.059 0.009 0.000 0.913 314 L HN 0.363 nan 8.230 nan 0.000 0.440 315 A N 0.203 122.680 122.820 -0.571 0.000 1.872 315 A HA -0.165 4.155 4.320 -0.000 0.000 0.214 315 A C 2.336 179.823 177.584 -0.162 0.000 1.187 315 A CA 1.275 53.002 52.037 -0.518 0.000 0.614 315 A CB -0.240 18.331 19.000 -0.715 0.000 0.826 315 A HN 0.259 nan 8.150 nan 0.000 0.442 316 K N -0.183 120.193 120.400 -0.041 0.000 2.097 316 K HA -0.067 4.253 4.320 -0.000 0.000 0.206 316 K C 2.268 178.888 176.600 0.034 0.000 1.049 316 K CA 1.058 57.421 56.287 0.128 0.000 0.933 316 K CB -0.310 32.298 32.500 0.180 0.000 0.717 316 K HN 0.439 nan 8.250 nan 0.000 0.442 317 A N 1.816 124.639 122.820 0.006 0.000 1.933 317 A HA -0.149 4.171 4.320 -0.000 0.000 0.218 317 A C 2.036 179.637 177.584 0.029 0.000 1.175 317 A CA 1.039 53.024 52.037 -0.087 0.000 0.628 317 A CB -0.502 18.498 19.000 0.000 0.000 0.814 317 A HN 0.238 nan 8.150 nan 0.000 0.444 318 L N -0.367 120.921 121.223 0.109 0.000 2.093 318 L HA -0.076 4.264 4.340 -0.000 0.000 0.208 318 L C 2.397 179.195 176.870 -0.120 0.000 1.085 318 L CA 2.148 56.974 54.840 -0.024 0.000 0.755 318 L CB -0.831 41.018 42.059 -0.351 0.000 0.904 318 L HN 0.534 nan 8.230 nan 0.000 0.435 319 R N -0.494 119.911 120.500 -0.159 0.000 2.152 319 R HA -0.137 4.203 4.340 -0.000 0.000 0.232 319 R C 2.291 178.487 176.300 -0.174 0.000 1.117 319 R CA 1.085 57.045 56.100 -0.232 0.000 0.981 319 R CB 0.020 30.051 30.300 -0.449 0.000 0.870 319 R HN 0.410 nan 8.270 nan 0.000 0.451 320 L N -0.954 120.157 121.223 -0.186 0.000 2.034 320 L HA -0.069 4.271 4.340 -0.000 0.000 0.203 320 L C 2.554 179.352 176.870 -0.121 0.000 1.074 320 L CA 1.163 55.789 54.840 -0.356 0.000 0.748 320 L CB -0.623 40.855 42.059 -0.967 0.000 0.905 320 L HN 0.200 nan 8.230 nan 0.000 0.439 321 S N -0.704 114.971 115.700 -0.042 0.000 2.359 321 S HA -0.021 4.449 4.470 -0.000 0.000 0.224 321 S C 0.845 175.503 174.600 0.097 0.000 1.035 321 S CA 1.225 59.506 58.200 0.135 0.000 1.018 321 S CB -0.307 63.040 63.200 0.245 0.000 0.876 321 S HN 0.621 nan 8.310 nan 0.000 0.448 322 G N -1.673 107.139 108.800 0.020 0.000 2.957 322 G HA2 0.436 4.396 3.960 -0.000 0.000 0.636 322 G HA3 0.436 4.396 3.960 -0.000 0.000 0.636 322 G C -0.336 174.525 174.900 -0.064 0.000 1.401 322 G CA -0.436 44.656 45.100 -0.012 0.000 0.941 322 G HN 1.102 nan 8.290 nan 0.000 0.610 323 G N 0.542 109.281 108.800 -0.101 0.000 2.633 323 G HA2 0.587 4.547 3.960 -0.000 0.000 0.299 323 G HA3 0.587 4.547 3.960 -0.000 0.000 0.299 323 G C -0.163 174.667 174.900 -0.117 0.000 1.501 323 G CA 0.230 45.248 45.100 -0.136 0.000 0.887 323 G HN 0.374 nan 8.290 nan 0.000 0.561 324 D N -0.275 120.054 120.400 -0.118 0.000 2.271 324 D HA 0.087 4.727 4.640 -0.000 0.000 0.206 324 D C 0.423 176.773 176.300 0.083 0.000 0.967 324 D CA 1.067 55.039 54.000 -0.046 0.000 0.867 324 D CB 0.387 41.144 40.800 -0.072 0.000 0.960 324 D HN 0.586 nan 8.370 nan 0.000 0.509 325 H N -0.891 118.070 119.070 -0.181 0.000 2.865 325 H HA 0.651 5.207 4.556 -0.000 0.000 0.372 325 H C -0.781 174.367 175.328 -0.301 0.000 1.173 325 H CA -0.871 55.058 56.048 -0.198 0.000 1.147 325 H CB 3.171 32.843 29.762 -0.149 0.000 1.805 325 H HN -0.157 nan 8.280 nan 0.000 0.553 326 I N 1.273 121.783 120.570 -0.100 0.000 2.743 326 I HA 0.117 4.287 4.170 -0.000 0.000 0.292 326 I C -0.810 175.288 176.117 -0.032 0.000 1.343 326 I CA -0.475 60.744 61.300 -0.134 0.000 1.038 326 I CB 1.841 39.759 38.000 -0.136 0.000 1.311 326 I HN 0.702 nan 8.210 nan 0.000 0.426 327 H N 4.968 123.909 119.070 -0.215 0.000 2.848 327 H HA 0.128 4.684 4.556 0.000 0.000 0.341 327 H C 0.519 175.731 175.328 -0.194 0.000 1.060 327 H CA 0.621 56.541 56.048 -0.213 0.000 1.444 327 H CB 1.087 30.658 29.762 -0.318 0.000 1.446 327 H HN 0.657 nan 8.280 nan 0.000 0.583 328 S N 1.654 117.323 115.700 -0.052 0.000 2.666 328 S HA 0.329 4.799 4.470 -0.000 0.000 0.239 328 S C 0.896 175.566 174.600 0.118 0.000 1.031 328 S CA 0.059 58.325 58.200 0.111 0.000 1.015 328 S CB 1.118 64.523 63.200 0.343 0.000 0.981 328 S HN 1.089 nan 8.310 nan 0.000 0.547 329 G N 1.133 109.914 108.800 -0.031 0.000 2.661 329 G HA2 -0.006 3.954 3.960 -0.000 0.000 0.685 329 G HA3 -0.006 3.954 3.960 -0.000 0.000 0.685 329 G C 0.219 175.164 174.900 0.075 0.000 1.298 329 G CA 0.223 45.332 45.100 0.016 0.000 0.855 329 G HN 1.003 nan 8.290 nan 0.000 0.560 330 T N -3.574 111.013 114.554 0.055 0.000 2.954 330 T HA 0.472 4.822 4.350 -0.000 0.000 0.252 330 T C 1.774 176.527 174.700 0.088 0.000 0.983 330 T CA 1.435 63.582 62.100 0.078 0.000 0.941 330 T CB 0.460 69.272 68.868 -0.095 0.000 1.141 330 T HN 2.306 nan 8.240 nan 0.000 0.500 331 V N 0.771 120.710 119.914 0.043 0.000 0.473 331 V HA -0.330 3.790 4.120 -0.000 0.000 0.092 331 V C 2.033 178.119 176.094 -0.014 0.000 2.433 331 V CA 1.957 64.265 62.300 0.013 0.000 3.661 331 V CB -1.929 29.883 31.823 -0.018 0.000 0.941 331 V HN 0.758 nan 8.190 nan 0.000 0.987 332 V N -0.821 119.050 119.914 -0.071 0.000 3.649 332 V HA 0.644 4.764 4.120 -0.000 0.000 0.275 332 V C 1.307 177.293 176.094 -0.179 0.000 1.281 332 V CA 1.345 63.568 62.300 -0.129 0.000 1.143 332 V CB -0.186 31.487 31.823 -0.250 0.000 0.892 332 V HN 0.918 nan 8.190 nan 0.000 0.441 333 G N 1.482 110.162 108.800 -0.200 0.000 2.504 333 G HA2 0.239 4.199 3.960 -0.000 0.000 0.257 333 G HA3 0.239 4.199 3.960 -0.000 0.000 0.257 333 G C 0.763 175.383 174.900 -0.467 0.000 1.451 333 G CA 0.057 44.985 45.100 -0.286 0.000 1.059 333 G HN 0.531 nan 8.290 nan 0.000 0.550 334 K N -1.260 118.646 120.400 -0.822 0.000 2.366 334 K HA 0.169 4.489 4.320 -0.000 0.000 0.198 334 K C 0.363 176.762 176.600 -0.336 0.000 1.044 334 K CA 0.351 56.088 56.287 -0.917 0.000 0.973 334 K CB -0.178 31.792 32.500 -0.884 0.000 0.767 334 K HN 0.206 nan 8.250 nan 0.000 0.475 335 L N 1.901 122.991 121.223 -0.222 0.000 2.331 335 L HA 0.300 4.640 4.340 -0.000 0.000 0.275 335 L C 0.059 176.899 176.870 -0.051 0.000 1.022 335 L CA -1.066 53.706 54.840 -0.112 0.000 0.812 335 L CB 1.763 43.771 42.059 -0.086 0.000 1.257 335 L HN 0.129 nan 8.230 nan 0.000 0.435 336 E N 0.955 121.142 120.200 -0.021 0.000 2.415 336 E HA 0.401 4.751 4.350 -0.000 0.000 0.262 336 E C -0.328 176.297 176.600 0.042 0.000 1.038 336 E CA 0.125 56.537 56.400 0.021 0.000 0.921 336 E CB 0.735 30.446 29.700 0.019 0.000 0.950 336 E HN 0.753 nan 8.360 nan 0.000 0.438 337 G N 3.839 112.679 108.800 0.066 0.000 1.895 337 G HA2 0.023 3.983 3.960 -0.000 0.000 0.302 337 G HA3 0.023 3.983 3.960 -0.000 0.000 0.302 337 G C -1.189 173.756 174.900 0.075 0.000 1.691 337 G CA -0.755 44.403 45.100 0.096 0.000 0.929 337 G HN 0.411 nan 8.290 nan 0.000 0.629 338 E N 1.668 121.921 120.200 0.089 0.000 2.354 338 E HA 0.167 4.517 4.350 -0.000 0.000 0.269 338 E C 1.347 177.943 176.600 -0.006 0.000 1.036 338 E CA -0.570 55.861 56.400 0.052 0.000 0.876 338 E CB 2.223 31.969 29.700 0.076 0.000 1.009 338 E HN 0.661 nan 8.360 nan 0.000 0.416 339 R N 2.757 123.236 120.500 -0.035 0.000 2.097 339 R HA -0.190 4.150 4.340 -0.000 0.000 0.236 339 R C 1.026 177.250 176.300 -0.126 0.000 1.135 339 R CA 1.983 58.026 56.100 -0.095 0.000 0.934 339 R CB 0.072 30.323 30.300 -0.083 0.000 0.846 339 R HN 0.480 nan 8.270 nan 0.000 0.431 340 D N 0.305 120.654 120.400 -0.084 0.000 2.117 340 D HA -0.157 4.483 4.640 -0.000 0.000 0.197 340 D C 2.031 178.265 176.300 -0.110 0.000 0.987 340 D CA 1.333 55.279 54.000 -0.090 0.000 0.829 340 D CB -0.153 40.614 40.800 -0.054 0.000 0.961 340 D HN 0.369 nan 8.370 nan 0.000 0.460 341 I N 1.020 121.550 120.570 -0.067 0.000 2.226 341 I HA -0.234 3.936 4.170 -0.000 0.000 0.245 341 I C 2.340 178.261 176.117 -0.325 0.000 1.100 341 I CA 1.026 62.304 61.300 -0.036 0.000 1.374 341 I CB -0.261 37.837 38.000 0.164 0.000 1.057 341 I HN -0.023 nan 8.210 nan 0.000 0.413 342 T N 1.280 115.572 114.554 -0.437 0.000 2.708 342 T HA -0.131 4.219 4.350 -0.000 0.000 0.266 342 T C 1.939 176.171 174.700 -0.780 0.000 1.037 342 T CA 1.209 62.754 62.100 -0.925 0.000 1.146 342 T CB -0.321 68.333 68.868 -0.356 0.000 0.865 342 T HN 0.239 nan 8.240 nan 0.000 0.435 343 L N 0.695 121.669 121.223 -0.415 0.000 2.131 343 L HA -0.035 4.305 4.340 -0.000 0.000 0.210 343 L C 2.927 179.672 176.870 -0.208 0.000 1.092 343 L CA 1.186 55.861 54.840 -0.276 0.000 0.759 343 L CB -0.945 40.995 42.059 -0.199 0.000 0.903 343 L HN 0.359 nan 8.230 nan 0.000 0.435 344 G N 1.066 109.732 108.800 -0.224 0.000 2.433 344 G HA2 -0.313 3.647 3.960 -0.000 0.000 0.216 344 G HA3 -0.313 3.647 3.960 -0.000 0.000 0.216 344 G C 1.247 176.161 174.900 0.024 0.000 1.186 344 G CA 1.001 46.050 45.100 -0.084 0.000 0.779 344 G HN 0.488 nan 8.290 nan 0.000 0.543 345 F N 0.363 120.394 119.950 0.135 0.000 2.661 345 F HA 0.325 4.852 4.527 -0.000 0.000 0.298 345 F C 2.052 177.937 175.800 0.141 0.000 1.137 345 F CA -0.325 57.767 58.000 0.154 0.000 1.454 345 F CB -0.735 38.395 39.000 0.217 0.000 1.103 345 F HN -0.011 nan 8.300 nan 0.000 0.577 346 V N 1.036 121.057 119.914 0.178 0.000 2.453 346 V HA -0.208 3.912 4.120 -0.000 0.000 0.247 346 V C 2.022 178.199 176.094 0.138 0.000 1.048 346 V CA 2.118 64.545 62.300 0.211 0.000 1.049 346 V CB -0.578 31.326 31.823 0.135 0.000 0.672 346 V HN 0.211 nan 8.190 nan 0.000 0.457 347 D N 0.126 120.583 120.400 0.095 0.000 2.144 347 D HA -0.091 4.549 4.640 -0.000 0.000 0.200 347 D C 2.062 178.438 176.300 0.127 0.000 0.978 347 D CA 1.064 55.118 54.000 0.090 0.000 0.833 347 D CB -0.176 40.666 40.800 0.070 0.000 0.961 347 D HN 0.331 nan 8.370 nan 0.000 0.470 348 L N -0.042 121.290 121.223 0.182 0.000 2.275 348 L HA -0.078 4.262 4.340 -0.000 0.000 0.215 348 L C 2.184 179.107 176.870 0.088 0.000 1.119 348 L CA 0.449 55.446 54.840 0.261 0.000 0.790 348 L CB -0.084 42.162 42.059 0.313 0.000 0.919 348 L HN 0.045 nan 8.230 nan 0.000 0.443 349 L N -1.331 119.906 121.223 0.023 0.000 2.298 349 L HA 0.009 4.349 4.340 -0.000 0.000 0.209 349 L C 2.542 179.300 176.870 -0.187 0.000 1.084 349 L CA 0.607 55.370 54.840 -0.127 0.000 0.816 349 L CB -0.101 41.958 42.059 -0.000 0.000 0.967 349 L HN 0.115 nan 8.230 nan 0.000 0.460 350 R N -0.880 119.574 120.500 -0.077 0.000 2.146 350 R HA 0.095 4.435 4.340 -0.000 0.000 0.206 350 R C -0.022 176.246 176.300 -0.053 0.000 1.049 350 R CA 0.058 56.122 56.100 -0.060 0.000 1.029 350 R CB 0.197 30.504 30.300 0.012 0.000 0.949 350 R HN 0.216 nan 8.270 nan 0.000 0.471 351 D N 0.290 120.687 120.400 -0.005 0.000 2.423 351 D HA 0.002 4.642 4.640 -0.000 0.000 0.255 351 D C 0.219 176.592 176.300 0.121 0.000 1.174 351 D CA -0.030 54.013 54.000 0.071 0.000 1.008 351 D CB 0.853 41.733 40.800 0.133 0.000 1.101 351 D HN -0.103 nan 8.370 nan 0.000 0.516 352 D N -1.873 118.661 120.400 0.222 0.000 2.366 352 D HA -0.019 4.621 4.640 -0.000 0.000 0.205 352 D C -0.870 175.726 176.300 0.494 0.000 1.022 352 D CA 0.146 54.349 54.000 0.338 0.000 0.868 352 D CB 0.298 41.232 40.800 0.223 0.000 0.953 352 D HN 0.286 nan 8.370 nan 0.000 0.514 353 Y N -0.516 119.932 120.300 0.246 0.000 2.442 353 Y HA 0.419 4.969 4.550 0.000 0.000 0.330 353 Y C -1.651 174.342 175.900 0.154 0.000 1.100 353 Y CA -0.728 57.476 58.100 0.173 0.000 1.034 353 Y CB 1.790 40.311 38.460 0.102 0.000 1.285 353 Y HN -0.294 nan 8.280 nan 0.000 0.440 354 T N 5.915 120.271 114.554 -0.329 0.000 2.937 354 T HA 0.304 4.654 4.350 -0.000 0.000 0.297 354 T C -1.021 173.431 174.700 -0.413 0.000 0.991 354 T CA -0.870 61.101 62.100 -0.215 0.000 0.990 354 T CB 1.248 70.119 68.868 0.004 0.000 0.991 354 T HN 0.554 nan 8.240 nan 0.000 0.440 355 E N 1.932 121.955 120.200 -0.295 0.000 2.349 355 E HA 0.177 4.527 4.350 -0.000 0.000 0.265 355 E C 0.216 176.761 176.600 -0.092 0.000 1.064 355 E CA -0.689 55.591 56.400 -0.201 0.000 0.886 355 E CB 1.256 30.935 29.700 -0.035 0.000 1.036 355 E HN 0.434 nan 8.360 nan 0.000 0.413 356 K N 1.922 122.286 120.400 -0.059 0.000 2.524 356 K HA -0.120 4.200 4.320 -0.000 0.000 0.279 356 K C -0.743 175.821 176.600 -0.061 0.000 0.993 356 K CA 0.637 56.898 56.287 -0.043 0.000 1.030 356 K CB 0.323 32.806 32.500 -0.027 0.000 0.891 356 K HN 0.356 nan 8.250 nan 0.000 0.488 357 D N 3.827 124.174 120.400 -0.087 0.000 2.351 357 D HA 0.149 4.789 4.640 -0.000 0.000 0.235 357 D C 0.267 176.479 176.300 -0.147 0.000 1.331 357 D CA -0.473 53.472 54.000 -0.092 0.000 0.959 357 D CB 0.566 41.330 40.800 -0.059 0.000 1.432 357 D HN 0.492 nan 8.370 nan 0.000 0.544 358 R N 0.726 121.108 120.500 -0.196 0.000 2.200 358 R HA -0.075 4.265 4.340 -0.000 0.000 0.234 358 R C 1.763 177.951 176.300 -0.188 0.000 1.127 358 R CA 1.132 57.062 56.100 -0.284 0.000 0.989 358 R CB -0.590 29.543 30.300 -0.277 0.000 0.869 358 R HN 0.489 nan 8.270 nan 0.000 0.459 359 S N 0.012 115.641 115.700 -0.118 0.000 2.481 359 S HA -0.017 4.453 4.470 -0.000 0.000 0.231 359 S C 1.509 176.067 174.600 -0.070 0.000 0.996 359 S CA 0.492 58.644 58.200 -0.080 0.000 0.942 359 S CB 0.057 63.222 63.200 -0.058 0.000 0.768 359 S HN 0.268 nan 8.310 nan 0.000 0.520 360 R N 0.100 120.552 120.500 -0.080 0.000 2.543 360 R HA 0.325 4.665 4.340 -0.000 0.000 0.323 360 R C 1.111 177.379 176.300 -0.053 0.000 1.002 360 R CA 0.306 56.370 56.100 -0.060 0.000 1.106 360 R CB 0.504 30.770 30.300 -0.057 0.000 1.280 360 R HN 0.502 nan 8.270 nan 0.000 0.549 361 G N 1.800 110.544 108.800 -0.094 0.000 2.143 361 G HA2 -0.268 3.692 3.960 -0.000 0.000 0.248 361 G HA3 -0.268 3.692 3.960 -0.000 0.000 0.248 361 G C 0.137 175.036 174.900 -0.002 0.000 0.991 361 G CA -0.128 44.932 45.100 -0.067 0.000 0.689 361 G HN 0.279 nan 8.290 nan 0.000 0.522 362 I N 0.936 121.465 120.570 -0.070 0.000 2.281 362 I HA 0.307 4.477 4.170 -0.000 0.000 0.293 362 I C 1.301 177.366 176.117 -0.086 0.000 1.085 362 I CA -0.908 60.401 61.300 0.014 0.000 1.257 362 I CB 0.391 38.395 38.000 0.007 0.000 1.430 362 I HN 0.063 nan 8.210 nan 0.000 0.489 363 Y N 5.189 125.390 120.300 -0.165 0.000 2.395 363 Y HA 0.112 4.662 4.550 -0.000 0.000 0.293 363 Y C 0.359 175.932 175.900 -0.545 0.000 1.123 363 Y CA 0.669 58.537 58.100 -0.387 0.000 1.227 363 Y CB -0.059 38.033 38.460 -0.613 0.000 1.012 363 Y HN 0.306 nan 8.280 nan 0.000 0.552 364 F N -1.903 118.157 119.950 0.184 0.000 2.588 364 F HA 0.415 4.942 4.527 -0.000 0.000 0.314 364 F C 0.218 176.012 175.800 -0.010 0.000 1.069 364 F CA -1.697 56.359 58.000 0.094 0.000 0.931 364 F CB 1.009 40.064 39.000 0.093 0.000 1.260 364 F HN -0.517 nan 8.300 nan 0.000 0.465 365 T N 1.571 116.218 114.554 0.156 0.000 2.851 365 T HA 0.324 4.674 4.350 -0.000 0.000 0.298 365 T C -0.587 174.053 174.700 -0.101 0.000 0.977 365 T CA -0.153 61.911 62.100 -0.059 0.000 1.126 365 T CB 0.783 69.606 68.868 -0.075 0.000 0.916 365 T HN 0.431 nan 8.240 nan 0.000 0.529 366 Q N 2.082 121.745 119.800 -0.227 0.000 2.340 366 Q HA 0.577 4.917 4.340 -0.000 0.000 0.268 366 Q C -0.884 174.905 176.000 -0.353 0.000 1.031 366 Q CA -0.444 55.181 55.803 -0.297 0.000 0.804 366 Q CB 1.810 30.387 28.738 -0.267 0.000 1.286 366 Q HN 0.596 nan 8.270 nan 0.000 0.448 367 S N 3.102 118.593 115.700 -0.348 0.000 2.532 367 S HA 0.613 5.083 4.470 -0.000 0.000 0.301 367 S C -0.952 173.434 174.600 -0.356 0.000 1.083 367 S CA -0.472 57.653 58.200 -0.124 0.000 1.025 367 S CB 0.542 63.788 63.200 0.078 0.000 1.056 367 S HN 0.814 nan 8.310 nan 0.000 0.494 368 W N 2.633 123.980 121.300 0.079 0.000 2.870 368 W HA 0.200 4.860 4.660 -0.000 0.000 0.358 368 W C 0.779 177.321 176.519 0.038 0.000 1.043 368 W CA -0.151 57.217 57.345 0.039 0.000 1.692 368 W CB -0.092 29.385 29.460 0.028 0.000 1.100 368 W HN 0.684 nan 8.180 nan 0.000 0.557 369 V N 0.040 120.080 119.914 0.211 0.000 5.562 369 V HA -0.373 3.747 4.120 -0.000 0.000 0.232 369 V C 0.668 176.848 176.094 0.142 0.000 0.694 369 V CA 0.715 63.100 62.300 0.142 0.000 0.574 369 V CB -2.471 29.408 31.823 0.094 0.000 0.230 369 V HN 0.493 nan 8.190 nan 0.000 0.568 370 S N -1.447 114.346 115.700 0.155 0.000 3.490 370 S HA -0.195 4.275 4.470 -0.000 0.000 0.301 370 S C 0.631 175.287 174.600 0.094 0.000 1.233 370 S CA 1.292 59.557 58.200 0.110 0.000 0.914 370 S CB -1.757 61.487 63.200 0.074 0.000 1.047 370 S HN 1.466 nan 8.310 nan 0.000 0.602 371 T N 3.549 118.185 114.554 0.137 0.000 2.870 371 T HA 0.340 4.690 4.350 -0.000 0.000 0.300 371 T C -1.840 172.848 174.700 -0.019 0.000 0.989 371 T CA -0.628 61.519 62.100 0.078 0.000 1.139 371 T CB 0.477 69.435 68.868 0.150 0.000 0.920 371 T HN 0.046 nan 8.240 nan 0.000 0.537 372 P HA 0.171 nan 4.420 nan 0.000 0.266 372 P C 0.377 177.596 177.300 -0.136 0.000 1.193 372 P CA -0.081 62.985 63.100 -0.057 0.000 0.770 372 P CB 0.378 32.057 31.700 -0.035 0.000 0.836 373 G N 0.858 109.592 108.800 -0.110 0.000 2.537 373 G HA2 0.465 4.425 3.960 -0.000 0.000 0.273 373 G HA3 0.465 4.425 3.960 -0.000 0.000 0.273 373 G C -0.915 173.916 174.900 -0.114 0.000 1.189 373 G CA -0.395 44.613 45.100 -0.154 0.000 0.881 373 G HN 0.364 nan 8.290 nan 0.000 0.535 374 V N 1.143 120.980 119.914 -0.129 0.000 2.513 374 V HA 0.319 4.439 4.120 -0.000 0.000 0.299 374 V C 0.276 176.348 176.094 -0.037 0.000 1.035 374 V CA -0.707 61.544 62.300 -0.081 0.000 0.889 374 V CB 1.715 33.463 31.823 -0.125 0.000 0.988 374 V HN 0.568 nan 8.190 nan 0.000 0.440 375 L N 7.521 128.740 121.223 -0.006 0.000 2.369 375 L HA 0.314 4.654 4.340 -0.000 0.000 0.279 375 L C -1.971 174.842 176.870 -0.094 0.000 1.108 375 L CA -1.347 53.461 54.840 -0.053 0.000 0.852 375 L CB 1.413 43.399 42.059 -0.121 0.000 1.169 375 L HN 0.437 nan 8.230 nan 0.000 0.452 376 P HA 0.111 nan 4.420 nan 0.000 0.275 376 P C -0.919 176.228 177.300 -0.256 0.000 1.227 376 P CA -0.254 62.794 63.100 -0.086 0.000 0.781 376 P CB 1.693 33.414 31.700 0.035 0.000 0.906 377 V N 2.752 122.487 119.914 -0.299 0.000 2.378 377 V HA 0.485 4.605 4.120 -0.000 0.000 0.288 377 V C 0.457 176.233 176.094 -0.530 0.000 1.016 377 V CA -0.840 61.202 62.300 -0.431 0.000 0.840 377 V CB 1.218 32.776 31.823 -0.442 0.000 0.994 377 V HN 0.691 nan 8.190 nan 0.000 0.431 378 A N 3.895 126.347 122.820 -0.613 0.000 2.276 378 A HA 0.816 5.136 4.320 -0.000 0.000 0.300 378 A C 0.093 177.407 177.584 -0.451 0.000 1.235 378 A CA -0.153 51.542 52.037 -0.569 0.000 0.867 378 A CB 0.909 19.465 19.000 -0.740 0.000 1.137 378 A HN 0.881 nan 8.150 nan 0.000 0.527 379 S N 1.574 117.072 115.700 -0.337 0.000 2.550 379 S HA 0.752 5.222 4.470 -0.000 0.000 0.270 379 S C -0.512 173.982 174.600 -0.178 0.000 1.145 379 S CA 0.419 58.451 58.200 -0.281 0.000 0.852 379 S CB 1.390 64.470 63.200 -0.199 0.000 1.119 379 S HN 2.594 nan 8.310 nan 0.000 0.465 380 G N 1.403 110.092 108.800 -0.185 0.000 2.949 380 G HA2 0.444 4.404 3.960 -0.000 0.000 0.658 380 G HA3 0.444 4.404 3.960 -0.000 0.000 0.658 380 G C 0.877 175.640 174.900 -0.229 0.000 1.194 380 G CA 0.321 45.326 45.100 -0.159 0.000 1.204 380 G HN 2.168 nan 8.290 nan 0.000 0.524 381 G N 0.318 109.009 108.800 -0.182 0.000 2.221 381 G HA2 -0.013 3.947 3.960 -0.000 0.000 0.265 381 G HA3 -0.013 3.947 3.960 -0.000 0.000 0.265 381 G C 0.576 175.478 174.900 0.003 0.000 1.041 381 G CA 1.057 46.060 45.100 -0.161 0.000 0.807 381 G HN 2.246 nan 8.290 nan 0.000 0.502 382 I N -2.407 118.145 120.570 -0.031 0.000 2.607 382 I HA 0.964 5.134 4.170 -0.000 0.000 0.305 382 I C 0.218 176.508 176.117 0.288 0.000 0.995 382 I CA -1.472 59.904 61.300 0.125 0.000 1.148 382 I CB 1.807 39.748 38.000 -0.099 0.000 1.323 382 I HN 0.308 nan 8.210 nan 0.000 0.461 383 H N 1.158 120.513 119.070 0.476 0.000 2.959 383 H HA 0.463 5.019 4.556 -0.000 0.000 0.296 383 H C 0.698 176.091 175.328 0.108 0.000 1.421 383 H CA -0.425 55.687 56.048 0.107 0.000 1.206 383 H CB 0.482 30.032 29.762 -0.353 0.000 1.891 383 H HN 0.357 nan 8.280 nan 0.000 0.573 384 V N -2.872 117.127 119.914 0.142 0.000 2.370 384 V HA -0.275 3.845 4.120 -0.000 0.000 0.252 384 V C 1.312 177.384 176.094 -0.037 0.000 1.068 384 V CA 1.937 64.193 62.300 -0.073 0.000 1.061 384 V CB -1.261 30.416 31.823 -0.242 0.000 0.656 384 V HN 0.783 nan 8.190 nan 0.000 0.455 385 W N 0.352 121.770 121.300 0.197 0.000 2.611 385 W HA 0.073 4.733 4.660 0.000 0.000 0.251 385 W C 2.407 178.931 176.519 0.007 0.000 1.265 385 W CA 1.208 58.595 57.345 0.071 0.000 1.295 385 W CB -0.579 28.939 29.460 0.097 0.000 1.129 385 W HN 0.412 nan 8.180 nan 0.000 0.630 386 H N -1.470 117.740 119.070 0.232 0.000 2.551 386 H HA -0.004 4.552 4.556 -0.000 0.000 0.266 386 H C 2.038 177.459 175.328 0.155 0.000 0.964 386 H CA 0.444 56.573 56.048 0.135 0.000 1.180 386 H CB 0.056 29.837 29.762 0.033 0.000 1.408 386 H HN -0.040 nan 8.280 nan 0.000 0.563 387 M N 1.473 121.224 119.600 0.252 0.000 2.089 387 M HA -0.114 4.366 4.480 -0.000 0.000 0.257 387 M C -1.042 175.354 176.300 0.161 0.000 1.071 387 M CA 1.785 57.199 55.300 0.191 0.000 1.096 387 M CB -0.601 32.043 32.600 0.073 0.000 1.330 387 M HN 0.106 nan 8.290 nan 0.000 0.403 388 P HA -0.097 nan 4.420 nan 0.000 0.215 388 P C 1.157 178.529 177.300 0.120 0.000 1.157 388 P CA 2.268 65.440 63.100 0.119 0.000 0.868 388 P CB -0.323 31.450 31.700 0.121 0.000 0.788 389 A N -0.635 122.269 122.820 0.141 0.000 1.877 389 A HA -0.177 4.143 4.320 -0.000 0.000 0.216 389 A C 2.240 179.887 177.584 0.105 0.000 1.186 389 A CA 1.555 53.657 52.037 0.109 0.000 0.620 389 A CB -1.720 17.354 19.000 0.123 0.000 0.822 389 A HN 0.098 nan 8.150 nan 0.000 0.443 390 L N -0.765 120.561 121.223 0.171 0.000 2.046 390 L HA -0.162 4.178 4.340 -0.000 0.000 0.208 390 L C 2.763 179.790 176.870 0.261 0.000 1.077 390 L CA 1.772 56.768 54.840 0.260 0.000 0.747 390 L CB -0.903 41.315 42.059 0.264 0.000 0.896 390 L HN 0.348 nan 8.230 nan 0.000 0.432 391 T N -1.246 113.416 114.554 0.180 0.000 2.821 391 T HA -0.188 4.162 4.350 -0.000 0.000 0.267 391 T C 1.840 176.602 174.700 0.103 0.000 1.046 391 T CA 1.105 63.293 62.100 0.146 0.000 1.139 391 T CB -0.112 68.823 68.868 0.111 0.000 0.871 391 T HN 0.296 nan 8.240 nan 0.000 0.454 392 E N 0.904 121.146 120.200 0.070 0.000 2.072 392 E HA -0.054 4.296 4.350 -0.000 0.000 0.190 392 E C 2.160 178.738 176.600 -0.036 0.000 0.982 392 E CA 0.834 57.248 56.400 0.023 0.000 0.803 392 E CB -0.154 29.558 29.700 0.020 0.000 0.755 392 E HN 0.501 nan 8.360 nan 0.000 0.453 393 I N -0.331 120.179 120.570 -0.100 0.000 2.233 393 I HA -0.216 3.954 4.170 -0.000 0.000 0.243 393 I C 2.013 177.885 176.117 -0.408 0.000 1.093 393 I CA 0.963 62.068 61.300 -0.326 0.000 1.380 393 I CB -0.231 37.424 38.000 -0.576 0.000 1.067 393 I HN 0.017 nan 8.210 nan 0.000 0.413 394 F N 0.566 120.514 119.950 -0.004 0.000 2.387 394 F HA 0.311 4.838 4.527 -0.000 0.000 0.294 394 F C 1.591 177.395 175.800 0.007 0.000 1.093 394 F CA 0.671 58.669 58.000 -0.004 0.000 1.420 394 F CB -0.747 38.247 39.000 -0.009 0.000 1.086 394 F HN 0.157 nan 8.300 nan 0.000 0.531 395 G N 0.589 109.491 108.800 0.171 0.000 2.725 395 G HA2 -0.255 3.705 3.960 -0.000 0.000 0.220 395 G HA3 -0.255 3.705 3.960 -0.000 0.000 0.220 395 G C 0.143 175.113 174.900 0.117 0.000 1.357 395 G CA -0.078 45.090 45.100 0.114 0.000 0.866 395 G HN 0.109 nan 8.290 nan 0.000 0.548 396 D N 0.449 120.902 120.400 0.088 0.000 2.117 396 D HA -0.004 4.636 4.640 -0.000 0.000 0.197 396 D C 0.977 177.319 176.300 0.070 0.000 0.987 396 D CA 1.481 55.528 54.000 0.078 0.000 0.829 396 D CB -0.165 40.680 40.800 0.074 0.000 0.961 396 D HN 0.418 nan 8.370 nan 0.000 0.460 397 D N 0.867 121.310 120.400 0.072 0.000 2.545 397 D HA 0.164 4.804 4.640 -0.000 0.000 0.227 397 D C 0.100 176.421 176.300 0.036 0.000 1.150 397 D CA 0.147 54.179 54.000 0.053 0.000 1.046 397 D CB -0.058 40.776 40.800 0.056 0.000 1.098 397 D HN 0.053 nan 8.370 nan 0.000 0.502 398 S N -1.095 114.602 115.700 -0.005 0.000 2.611 398 S HA 0.579 5.049 4.470 -0.000 0.000 0.268 398 S C -1.109 173.419 174.600 -0.121 0.000 1.156 398 S CA -0.930 57.215 58.200 -0.092 0.000 0.817 398 S CB 1.679 64.821 63.200 -0.096 0.000 1.122 398 S HN -0.066 nan 8.310 nan 0.000 0.466 399 V N 1.650 121.437 119.914 -0.212 0.000 2.483 399 V HA 0.499 4.619 4.120 -0.000 0.000 0.297 399 V C -0.893 175.077 176.094 -0.207 0.000 1.027 399 V CA -0.590 61.622 62.300 -0.146 0.000 0.855 399 V CB 1.232 32.950 31.823 -0.174 0.000 0.995 399 V HN 0.818 nan 8.190 nan 0.000 0.424 400 L N 5.189 126.346 121.223 -0.110 0.000 2.287 400 L HA 0.603 4.942 4.340 -0.000 0.000 0.287 400 L C -0.178 176.575 176.870 -0.195 0.000 1.022 400 L CA -0.388 54.337 54.840 -0.192 0.000 0.814 400 L CB 1.325 43.400 42.059 0.028 0.000 1.217 400 L HN 0.610 nan 8.230 nan 0.000 0.420 401 Q N 3.623 123.155 119.800 -0.447 0.000 2.316 401 Q HA 0.549 4.889 4.340 -0.000 0.000 0.264 401 Q C -1.514 174.135 176.000 -0.586 0.000 0.987 401 Q CA -0.515 55.099 55.803 -0.315 0.000 0.852 401 Q CB 2.530 31.155 28.738 -0.188 0.000 1.287 401 Q HN 0.399 nan 8.270 nan 0.000 0.448 402 F N 0.833 120.756 119.950 -0.045 0.000 2.532 402 F HA 0.368 4.894 4.527 -0.000 0.000 0.365 402 F C 0.866 176.646 175.800 -0.034 0.000 1.112 402 F CA -0.694 57.278 58.000 -0.047 0.000 1.082 402 F CB 1.295 40.266 39.000 -0.048 0.000 1.319 402 F HN 0.743 nan 8.300 nan 0.000 0.457 403 G N 1.607 110.451 108.800 0.073 0.000 2.658 403 G HA2 0.071 4.031 3.960 -0.000 0.000 0.217 403 G HA3 0.071 4.031 3.960 -0.000 0.000 0.217 403 G C 1.751 176.701 174.900 0.083 0.000 1.319 403 G CA 0.575 45.712 45.100 0.063 0.000 0.885 403 G HN 0.753 nan 8.290 nan 0.000 0.553 404 G N 0.631 109.471 108.800 0.068 0.000 2.450 404 G HA2 0.071 4.031 3.960 -0.000 0.000 0.220 404 G HA3 0.071 4.031 3.960 -0.000 0.000 0.220 404 G C 1.662 176.612 174.900 0.083 0.000 1.130 404 G CA 1.329 46.486 45.100 0.094 0.000 0.760 404 G HN 0.701 nan 8.290 nan 0.000 0.557 405 G N -0.742 108.055 108.800 -0.006 0.000 2.625 405 G HA2 0.116 4.076 3.960 -0.000 0.000 0.214 405 G HA3 0.116 4.076 3.960 -0.000 0.000 0.214 405 G C 1.414 176.373 174.900 0.099 0.000 1.132 405 G CA 1.573 46.583 45.100 -0.150 0.000 0.782 405 G HN 0.416 nan 8.290 nan 0.000 0.538 406 T N -0.012 114.646 114.554 0.173 0.000 3.138 406 T HA 0.098 4.448 4.350 -0.000 0.000 0.245 406 T C 1.783 176.595 174.700 0.187 0.000 0.982 406 T CA -0.168 62.030 62.100 0.163 0.000 1.134 406 T CB 0.009 68.934 68.868 0.094 0.000 1.032 406 T HN 0.041 nan 8.240 nan 0.000 0.442 407 L N 1.737 123.051 121.223 0.152 0.000 2.610 407 L HA 0.300 4.640 4.340 -0.000 0.000 0.232 407 L C 2.094 179.078 176.870 0.190 0.000 1.149 407 L CA 0.732 55.652 54.840 0.133 0.000 0.872 407 L CB -0.319 41.788 42.059 0.080 0.000 0.992 407 L HN 0.362 nan 8.230 nan 0.000 0.447 408 G N -3.154 105.827 108.800 0.302 0.000 3.126 408 G HA2 -0.059 3.901 3.960 -0.000 0.000 0.224 408 G HA3 -0.059 3.901 3.960 -0.000 0.000 0.224 408 G C 0.503 175.590 174.900 0.311 0.000 1.142 408 G CA -0.280 45.041 45.100 0.369 0.000 0.759 408 G HN 0.287 nan 8.290 nan 0.000 0.550 409 H N 2.116 121.305 119.070 0.198 0.000 2.848 409 H HA 0.100 4.656 4.556 0.000 0.000 0.341 409 H C -1.045 174.242 175.328 -0.068 0.000 1.060 409 H CA -1.161 54.874 56.048 -0.021 0.000 1.444 409 H CB 2.075 31.833 29.762 -0.006 0.000 1.446 409 H HN 0.009 nan 8.280 nan 0.000 0.583 410 P HA -0.149 nan 4.420 nan 0.000 0.221 410 P C 0.657 178.177 177.300 0.367 0.000 1.145 410 P CA 1.139 64.209 63.100 -0.051 0.000 0.795 410 P CB 0.079 31.639 31.700 -0.233 0.000 0.775 411 W N 0.255 121.747 121.300 0.319 0.000 3.220 411 W HA 0.504 5.164 4.660 -0.000 0.000 0.328 411 W C 1.108 177.678 176.519 0.086 0.000 1.205 411 W CA 0.465 57.914 57.345 0.175 0.000 1.773 411 W CB -0.573 28.980 29.460 0.155 0.000 1.086 411 W HN 0.066 nan 8.180 nan 0.000 0.622 412 G N 0.732 109.711 108.800 0.299 0.000 2.498 412 G HA2 -0.272 3.688 3.960 -0.000 0.000 0.651 412 G HA3 -0.272 3.688 3.960 -0.000 0.000 0.651 412 G C 0.601 175.537 174.900 0.060 0.000 1.284 412 G CA -0.260 44.926 45.100 0.143 0.000 0.950 412 G HN -0.062 nan 8.290 nan 0.000 0.511 413 N N 0.027 118.739 118.700 0.019 0.000 2.043 413 N HA -0.045 4.695 4.740 -0.000 0.000 0.193 413 N C 2.796 178.255 175.510 -0.085 0.000 1.037 413 N CA 2.862 55.896 53.050 -0.026 0.000 0.851 413 N CB -0.763 37.699 38.487 -0.041 0.000 1.027 413 N HN 1.163 nan 8.380 nan 0.000 0.422 414 A N 1.372 124.132 122.820 -0.100 0.000 1.865 414 A HA -0.081 4.239 4.320 -0.000 0.000 0.217 414 A C -0.161 177.339 177.584 -0.141 0.000 1.191 414 A CA 1.563 53.526 52.037 -0.125 0.000 0.623 414 A CB -1.596 17.333 19.000 -0.118 0.000 0.826 414 A HN 0.251 nan 8.150 nan 0.000 0.444 415 P HA -0.041 nan 4.420 nan 0.000 0.218 415 P C 1.662 178.590 177.300 -0.619 0.000 1.149 415 P CA 1.538 64.455 63.100 -0.305 0.000 0.817 415 P CB -0.282 31.308 31.700 -0.183 0.000 0.785 416 G N 0.167 108.647 108.800 -0.534 0.000 2.408 416 G HA2 -0.222 3.738 3.960 -0.000 0.000 0.217 416 G HA3 -0.222 3.738 3.960 -0.000 0.000 0.217 416 G C 1.613 176.413 174.900 -0.165 0.000 1.150 416 G CA 0.858 45.777 45.100 -0.301 0.000 0.776 416 G HN 0.296 nan 8.290 nan 0.000 0.542 417 A N 0.143 122.874 122.820 -0.148 0.000 1.898 417 A HA 0.136 4.456 4.320 -0.000 0.000 0.216 417 A C 2.586 180.089 177.584 -0.135 0.000 1.181 417 A CA 1.639 53.604 52.037 -0.119 0.000 0.620 417 A CB -0.572 18.367 19.000 -0.101 0.000 0.819 417 A HN 0.228 nan 8.150 nan 0.000 0.442 418 V N 0.048 119.876 119.914 -0.144 0.000 2.332 418 V HA -0.279 3.841 4.120 -0.000 0.000 0.248 418 V C 3.070 179.081 176.094 -0.138 0.000 1.055 418 V CA 1.967 64.198 62.300 -0.115 0.000 1.038 418 V CB -1.278 30.490 31.823 -0.092 0.000 0.651 418 V HN 0.614 nan 8.190 nan 0.000 0.450 419 A N 0.389 123.099 122.820 -0.184 0.000 1.908 419 A HA -0.256 4.064 4.320 -0.000 0.000 0.218 419 A C 2.092 179.548 177.584 -0.213 0.000 1.181 419 A CA 2.195 54.121 52.037 -0.185 0.000 0.627 419 A CB -0.650 18.281 19.000 -0.114 0.000 0.818 419 A HN 0.611 nan 8.150 nan 0.000 0.445 420 N N -0.801 117.751 118.700 -0.246 0.000 2.171 420 N HA -0.129 4.611 4.740 -0.000 0.000 0.184 420 N C 1.897 177.267 175.510 -0.234 0.000 1.021 420 N CA 1.466 54.297 53.050 -0.367 0.000 0.854 420 N CB -0.371 37.794 38.487 -0.538 0.000 0.994 420 N HN 0.471 nan 8.380 nan 0.000 0.426 421 R N 1.338 121.747 120.500 -0.150 0.000 2.075 421 R HA 0.031 4.371 4.340 -0.000 0.000 0.232 421 R C 1.957 178.227 176.300 -0.050 0.000 1.126 421 R CA 0.921 56.972 56.100 -0.082 0.000 0.963 421 R CB -0.757 29.507 30.300 -0.060 0.000 0.858 421 R HN -0.032 nan 8.270 nan 0.000 0.435 422 V N 0.779 120.658 119.914 -0.059 0.000 2.307 422 V HA -0.177 3.943 4.120 -0.000 0.000 0.245 422 V C 2.349 178.409 176.094 -0.056 0.000 1.045 422 V CA 1.902 64.193 62.300 -0.015 0.000 1.024 422 V CB -0.946 30.830 31.823 -0.079 0.000 0.651 422 V HN 0.534 nan 8.190 nan 0.000 0.449 423 A N -0.142 122.593 122.820 -0.141 0.000 1.908 423 A HA -0.237 4.083 4.320 -0.000 0.000 0.218 423 A C 2.179 179.723 177.584 -0.066 0.000 1.181 423 A CA 2.304 54.252 52.037 -0.148 0.000 0.627 423 A CB -0.630 18.241 19.000 -0.215 0.000 0.818 423 A HN 0.466 nan 8.150 nan 0.000 0.445 424 L N 0.126 121.316 121.223 -0.055 0.000 2.017 424 L HA -0.148 4.192 4.340 -0.000 0.000 0.208 424 L C 2.198 179.085 176.870 0.027 0.000 1.073 424 L CA 2.491 57.331 54.840 0.001 0.000 0.745 424 L CB -0.678 41.384 42.059 0.006 0.000 0.894 424 L HN 0.514 nan 8.230 nan 0.000 0.432 425 E N -0.374 119.845 120.200 0.032 0.000 2.204 425 E HA -0.173 4.177 4.350 -0.000 0.000 0.194 425 E C 2.088 178.734 176.600 0.076 0.000 0.989 425 E CA 0.917 57.351 56.400 0.055 0.000 0.824 425 E CB -0.235 29.503 29.700 0.064 0.000 0.756 425 E HN 0.676 nan 8.360 nan 0.000 0.477 426 A N 0.752 123.624 122.820 0.086 0.000 1.930 426 A HA -0.147 4.173 4.320 -0.000 0.000 0.217 426 A C 2.375 180.002 177.584 0.071 0.000 1.175 426 A CA 0.885 52.986 52.037 0.107 0.000 0.627 426 A CB -0.596 18.458 19.000 0.090 0.000 0.815 426 A HN 0.316 nan 8.150 nan 0.000 0.443 427 C N -1.438 117.893 119.300 0.052 0.000 2.457 427 C HA 0.004 4.464 4.460 -0.000 0.000 0.278 427 C C 2.717 177.740 174.990 0.056 0.000 1.309 427 C CA 0.834 59.884 59.018 0.054 0.000 1.735 427 C CB -1.037 26.737 27.740 0.056 0.000 1.992 427 C HN 0.447 nan 8.230 nan 0.000 0.493 428 V N 0.715 120.663 119.914 0.056 0.000 2.358 428 V HA -0.274 3.846 4.120 -0.000 0.000 0.246 428 V C 2.520 178.643 176.094 0.048 0.000 1.047 428 V CA 2.188 64.519 62.300 0.053 0.000 1.035 428 V CB -0.847 31.006 31.823 0.051 0.000 0.658 428 V HN 0.626 nan 8.190 nan 0.000 0.452 429 Q N -0.061 119.770 119.800 0.051 0.000 2.050 429 Q HA -0.212 4.128 4.340 -0.000 0.000 0.202 429 Q C 2.267 178.293 176.000 0.044 0.000 0.980 429 Q CA 2.052 57.882 55.803 0.045 0.000 0.840 429 Q CB -0.297 28.471 28.738 0.050 0.000 0.898 429 Q HN 0.613 nan 8.270 nan 0.000 0.424 430 A N 1.406 124.257 122.820 0.052 0.000 1.908 430 A HA -0.234 4.086 4.320 -0.000 0.000 0.218 430 A C 2.152 179.761 177.584 0.042 0.000 1.181 430 A CA 1.619 53.686 52.037 0.048 0.000 0.627 430 A CB -0.757 18.275 19.000 0.054 0.000 0.818 430 A HN 0.459 nan 8.150 nan 0.000 0.445 431 R N -0.279 120.247 120.500 0.043 0.000 2.073 431 R HA -0.181 4.159 4.340 -0.000 0.000 0.234 431 R C 1.639 177.959 176.300 0.034 0.000 1.134 431 R CA 1.905 58.029 56.100 0.039 0.000 0.952 431 R CB -0.402 29.924 30.300 0.043 0.000 0.850 431 R HN 0.507 nan 8.270 nan 0.000 0.433 432 N N 1.016 119.736 118.700 0.034 0.000 2.223 432 N HA -0.144 4.596 4.740 -0.000 0.000 0.185 432 N C 1.097 176.622 175.510 0.024 0.000 1.016 432 N CA 1.324 54.390 53.050 0.028 0.000 0.863 432 N CB -0.107 38.397 38.487 0.028 0.000 0.983 432 N HN 0.461 nan 8.380 nan 0.000 0.429 433 E N -0.658 119.557 120.200 0.025 0.000 2.482 433 E HA 0.105 4.455 4.350 -0.000 0.000 0.196 433 E C 0.672 177.285 176.600 0.022 0.000 1.047 433 E CA 0.398 56.811 56.400 0.022 0.000 0.869 433 E CB 0.111 29.826 29.700 0.024 0.000 0.836 433 E HN 0.420 nan 8.360 nan 0.000 0.520 434 G N 1.909 110.724 108.800 0.024 0.000 2.148 434 G HA2 -0.246 3.714 3.960 -0.000 0.000 0.203 434 G HA3 -0.246 3.714 3.960 -0.000 0.000 0.203 434 G C 0.036 174.950 174.900 0.024 0.000 0.993 434 G CA -0.397 44.716 45.100 0.022 0.000 0.661 434 G HN 0.095 nan 8.290 nan 0.000 0.518 435 R N 0.373 120.890 120.500 0.029 0.000 2.490 435 R HA 0.416 4.756 4.340 -0.000 0.000 0.278 435 R C -0.615 175.704 176.300 0.032 0.000 1.069 435 R CA -0.642 55.477 56.100 0.031 0.000 1.080 435 R CB 0.752 31.074 30.300 0.037 0.000 1.030 435 R HN 0.129 nan 8.270 nan 0.000 0.491 436 D N 3.035 123.454 120.400 0.031 0.000 2.352 436 D HA 0.025 4.665 4.640 -0.000 0.000 0.245 436 D C 0.985 177.308 176.300 0.038 0.000 1.224 436 D CA 0.047 54.065 54.000 0.030 0.000 0.879 436 D CB 0.800 41.615 40.800 0.026 0.000 1.057 436 D HN 0.446 nan 8.370 nan 0.000 0.491 437 L N 3.162 124.409 121.223 0.040 0.000 2.131 437 L HA -0.151 4.189 4.340 -0.000 0.000 0.210 437 L C 2.335 179.237 176.870 0.053 0.000 1.092 437 L CA 1.075 55.946 54.840 0.051 0.000 0.759 437 L CB -0.220 41.871 42.059 0.053 0.000 0.903 437 L HN 0.435 nan 8.230 nan 0.000 0.435 438 A N 0.179 123.024 122.820 0.040 0.000 1.897 438 A HA -0.153 4.167 4.320 -0.000 0.000 0.215 438 A C 2.374 179.982 177.584 0.040 0.000 1.181 438 A CA 1.281 53.341 52.037 0.038 0.000 0.620 438 A CB -0.277 18.736 19.000 0.023 0.000 0.821 438 A HN 0.327 nan 8.150 nan 0.000 0.443 439 R N -0.654 119.868 120.500 0.036 0.000 2.140 439 R HA 0.062 4.402 4.340 -0.000 0.000 0.213 439 R C 1.142 177.468 176.300 0.043 0.000 1.059 439 R CA 1.161 57.281 56.100 0.034 0.000 1.000 439 R CB -0.003 30.313 30.300 0.026 0.000 0.910 439 R HN 0.577 nan 8.270 nan 0.000 0.455 440 E N -0.133 120.096 120.200 0.049 0.000 2.476 440 E HA 0.102 4.452 4.350 -0.000 0.000 0.196 440 E C 1.495 178.140 176.600 0.075 0.000 1.029 440 E CA 0.024 56.458 56.400 0.057 0.000 0.896 440 E CB 0.770 30.500 29.700 0.050 0.000 1.012 440 E HN 0.357 nan 8.360 nan 0.000 0.475 441 G N 2.414 111.264 108.800 0.084 0.000 2.599 441 G HA2 -0.391 3.569 3.960 -0.000 0.000 0.219 441 G HA3 -0.391 3.569 3.960 -0.000 0.000 0.219 441 G C 1.342 176.331 174.900 0.149 0.000 1.193 441 G CA 1.281 46.447 45.100 0.110 0.000 0.778 441 G HN 0.259 nan 8.290 nan 0.000 0.589 442 N N -0.356 118.452 118.700 0.180 0.000 2.104 442 N HA -0.125 4.615 4.740 -0.000 0.000 0.190 442 N C 2.359 178.000 175.510 0.219 0.000 1.024 442 N CA 1.592 54.807 53.050 0.274 0.000 0.853 442 N CB -0.191 38.407 38.487 0.185 0.000 1.008 442 N HN 0.299 nan 8.380 nan 0.000 0.424 443 T N 1.484 116.117 114.554 0.131 0.000 2.746 443 T HA -0.066 4.284 4.350 -0.000 0.000 0.267 443 T C 1.984 176.731 174.700 0.077 0.000 1.039 443 T CA 0.775 62.933 62.100 0.097 0.000 1.142 443 T CB -0.179 68.732 68.868 0.071 0.000 0.866 443 T HN 0.204 nan 8.240 nan 0.000 0.444 444 I N 0.716 121.329 120.570 0.072 0.000 2.226 444 I HA -0.146 4.024 4.170 -0.000 0.000 0.245 444 I C 2.185 178.306 176.117 0.006 0.000 1.100 444 I CA 0.908 62.238 61.300 0.051 0.000 1.374 444 I CB -0.366 37.667 38.000 0.055 0.000 1.057 444 I HN 0.188 nan 8.210 nan 0.000 0.413 445 I N 0.592 121.153 120.570 -0.015 0.000 2.202 445 I HA -0.225 3.945 4.170 -0.000 0.000 0.242 445 I C 2.645 178.648 176.117 -0.189 0.000 1.091 445 I CA 1.528 62.730 61.300 -0.164 0.000 1.368 445 I CB -1.205 36.612 38.000 -0.304 0.000 1.058 445 I HN 0.236 nan 8.210 nan 0.000 0.410 446 R N 0.577 121.050 120.500 -0.045 0.000 2.105 446 R HA -0.181 4.159 4.340 -0.000 0.000 0.239 446 R C 2.134 178.403 176.300 -0.051 0.000 1.135 446 R CA 1.303 57.395 56.100 -0.013 0.000 0.967 446 R CB -0.128 30.235 30.300 0.105 0.000 0.861 446 R HN 0.489 nan 8.270 nan 0.000 0.442 447 E N -0.007 120.183 120.200 -0.017 0.000 2.110 447 E HA -0.177 4.173 4.350 -0.000 0.000 0.193 447 E C 1.895 178.459 176.600 -0.061 0.000 0.988 447 E CA 1.207 57.617 56.400 0.016 0.000 0.804 447 E CB -0.065 29.681 29.700 0.076 0.000 0.745 447 E HN 0.353 nan 8.360 nan 0.000 0.458 448 A N 1.165 123.870 122.820 -0.192 0.000 2.014 448 A HA -0.129 4.191 4.320 -0.000 0.000 0.218 448 A C 2.363 179.419 177.584 -0.881 0.000 1.163 448 A CA 1.637 53.317 52.037 -0.595 0.000 0.652 448 A CB -0.804 17.925 19.000 -0.452 0.000 0.808 448 A HN 0.378 nan 8.150 nan 0.000 0.449 449 T N -2.585 111.678 114.554 -0.486 0.000 3.007 449 T HA -0.067 4.283 4.350 -0.000 0.000 0.270 449 T C 1.621 176.141 174.700 -0.300 0.000 1.107 449 T CA 1.235 63.099 62.100 -0.393 0.000 1.118 449 T CB -0.159 68.559 68.868 -0.249 0.000 0.889 449 T HN 0.230 nan 8.240 nan 0.000 0.506 450 K N 0.996 121.245 120.400 -0.251 0.000 2.148 450 K HA 0.033 4.353 4.320 -0.000 0.000 0.204 450 K C 1.903 178.518 176.600 0.025 0.000 1.050 450 K CA 1.114 57.361 56.287 -0.065 0.000 0.942 450 K CB -0.326 32.202 32.500 0.047 0.000 0.724 450 K HN 0.864 nan 8.250 nan 0.000 0.446 451 W N -0.960 120.337 121.300 -0.005 0.000 2.998 451 W HA 0.385 5.045 4.660 0.001 0.000 0.336 451 W C 0.043 176.563 176.519 0.002 0.000 1.112 451 W CA -0.472 56.874 57.345 0.001 0.000 1.682 451 W CB -0.014 29.444 29.460 -0.002 0.000 1.065 451 W HN -0.163 nan 8.180 nan 0.000 0.570 452 S N 3.996 119.475 115.700 -0.368 0.000 2.577 452 S HA 0.321 4.791 4.470 -0.000 0.000 0.294 452 S C -0.992 173.499 174.600 -0.183 0.000 1.161 452 S CA -1.389 56.637 58.200 -0.289 0.000 1.143 452 S CB 1.155 63.945 63.200 -0.683 0.000 0.991 452 S HN -0.195 nan 8.310 nan 0.000 0.475 453 P HA -0.048 nan 4.420 nan 0.000 0.223 453 P C 0.687 177.926 177.300 -0.100 0.000 1.151 453 P CA 0.878 64.008 63.100 0.050 0.000 0.787 453 P CB 0.331 32.187 31.700 0.260 0.000 0.788 454 E N -0.043 120.102 120.200 -0.092 0.000 2.072 454 E HA -0.115 4.235 4.350 -0.000 0.000 0.191 454 E C 1.963 178.417 176.600 -0.244 0.000 0.985 454 E CA 0.650 56.902 56.400 -0.247 0.000 0.801 454 E CB -1.178 28.445 29.700 -0.128 0.000 0.750 454 E HN 0.132 nan 8.360 nan 0.000 0.452 455 L N 0.417 121.485 121.223 -0.258 0.000 2.056 455 L HA 0.016 4.356 4.340 -0.000 0.000 0.207 455 L C 2.022 178.696 176.870 -0.326 0.000 1.078 455 L CA 1.867 56.529 54.840 -0.297 0.000 0.749 455 L CB -0.855 40.974 42.059 -0.383 0.000 0.901 455 L HN 0.102 nan 8.230 nan 0.000 0.433 456 A N -0.155 122.481 122.820 -0.307 0.000 1.883 456 A HA -0.194 4.126 4.320 -0.000 0.000 0.217 456 A C 2.474 179.878 177.584 -0.299 0.000 1.186 456 A CA 2.149 54.031 52.037 -0.258 0.000 0.624 456 A CB -1.312 17.584 19.000 -0.175 0.000 0.822 456 A HN 0.585 nan 8.150 nan 0.000 0.444 457 A N -0.431 122.129 122.820 -0.433 0.000 1.933 457 A HA 0.151 4.471 4.320 -0.000 0.000 0.218 457 A C 2.475 179.647 177.584 -0.688 0.000 1.175 457 A CA 2.168 53.835 52.037 -0.617 0.000 0.628 457 A CB -0.909 17.398 19.000 -1.156 0.000 0.814 457 A HN 1.074 nan 8.150 nan 0.000 0.444 458 A N -1.126 121.337 122.820 -0.595 0.000 1.897 458 A HA -0.113 4.207 4.320 -0.000 0.000 0.215 458 A C 2.278 179.668 177.584 -0.323 0.000 1.181 458 A CA 1.504 53.233 52.037 -0.513 0.000 0.620 458 A CB -1.225 17.716 19.000 -0.098 0.000 0.821 458 A HN 0.582 nan 8.150 nan 0.000 0.443 459 C N -0.599 118.542 119.300 -0.265 0.000 2.413 459 C HA -0.101 4.359 4.460 -0.000 0.000 0.277 459 C C 2.652 177.740 174.990 0.164 0.000 1.265 459 C CA 1.275 60.233 59.018 -0.100 0.000 1.752 459 C CB -1.155 26.412 27.740 -0.287 0.000 1.998 459 C HN 0.785 nan 8.230 nan 0.000 0.489 460 E N 0.625 120.777 120.200 -0.081 0.000 2.077 460 E HA -0.175 4.175 4.350 -0.000 0.000 0.193 460 E C 2.007 178.489 176.600 -0.196 0.000 0.989 460 E CA 1.472 57.810 56.400 -0.103 0.000 0.800 460 E CB 0.066 29.666 29.700 -0.167 0.000 0.746 460 E HN 0.457 nan 8.360 nan 0.000 0.452 461 V N 0.141 119.805 119.914 -0.418 0.000 2.358 461 V HA -0.166 3.954 4.120 -0.000 0.000 0.246 461 V C 1.419 177.178 176.094 -0.558 0.000 1.047 461 V CA 1.305 63.218 62.300 -0.645 0.000 1.035 461 V CB -0.368 30.726 31.823 -1.215 0.000 0.658 461 V HN 0.475 nan 8.190 nan 0.000 0.452 462 W N 0.845 122.060 121.300 -0.141 0.000 2.991 462 W HA 0.265 4.925 4.660 -0.000 0.000 0.391 462 W C 1.872 178.253 176.519 -0.230 0.000 1.054 462 W CA -0.414 56.761 57.345 -0.283 0.000 1.856 462 W CB -0.324 28.728 29.460 -0.680 0.000 1.132 462 W HN 0.435 nan 8.180 nan 0.000 0.601 463 K N 0.765 121.200 120.400 0.060 0.000 2.160 463 K HA -0.184 4.136 4.320 -0.000 0.000 0.206 463 K C 0.884 177.284 176.600 -0.335 0.000 1.047 463 K CA 1.523 57.637 56.287 -0.289 0.000 0.930 463 K CB -0.219 32.148 32.500 -0.222 0.000 0.720 463 K HN 0.060 nan 8.250 nan 0.000 0.450 464 E N 0.917 121.015 120.200 -0.170 0.000 2.474 464 E HA 0.078 4.428 4.350 -0.000 0.000 0.195 464 E C 0.182 176.720 176.600 -0.104 0.000 1.039 464 E CA -0.046 56.266 56.400 -0.146 0.000 0.881 464 E CB 0.286 29.919 29.700 -0.112 0.000 0.970 464 E HN 0.276 nan 8.360 nan 0.000 0.486 465 I N 2.561 123.102 120.570 -0.049 0.000 2.436 465 I HA 0.158 4.328 4.170 -0.000 0.000 0.289 465 I C 0.296 176.405 176.117 -0.014 0.000 1.083 465 I CA 0.211 61.489 61.300 -0.036 0.000 1.372 465 I CB -0.278 37.769 38.000 0.079 0.000 1.408 465 I HN -0.191 nan 8.210 nan 0.000 0.516 466 K N 5.664 125.920 120.400 -0.239 0.000 2.477 466 K HA 0.602 4.922 4.320 -0.000 0.000 0.255 466 K C -1.450 174.885 176.600 -0.443 0.000 0.952 466 K CA -0.596 55.589 56.287 -0.171 0.000 0.826 466 K CB 2.533 34.997 32.500 -0.060 0.000 1.331 466 K HN 0.137 nan 8.250 nan 0.000 0.437 467 F N 1.886 121.897 119.950 0.102 0.000 2.434 467 F HA 0.272 4.798 4.527 -0.000 0.000 0.367 467 F C -0.405 175.406 175.800 0.018 0.000 1.093 467 F CA -0.580 57.477 58.000 0.095 0.000 1.085 467 F CB 1.384 40.477 39.000 0.155 0.000 1.322 467 F HN 0.260 nan 8.300 nan 0.000 0.452 468 E N 4.227 124.375 120.200 -0.086 0.000 2.235 468 E HA 0.530 4.880 4.350 -0.000 0.000 0.252 468 E C -1.362 175.002 176.600 -0.393 0.000 0.886 468 E CA -0.530 55.790 56.400 -0.133 0.000 0.767 468 E CB 1.989 31.606 29.700 -0.140 0.000 1.205 468 E HN 0.284 nan 8.360 nan 0.000 0.421 469 F N 0.909 120.905 119.950 0.077 0.000 2.626 469 F HA 0.401 4.928 4.527 -0.000 0.000 0.311 469 F C -2.106 173.722 175.800 0.047 0.000 1.088 469 F CA -2.239 55.797 58.000 0.060 0.000 0.949 469 F CB 0.983 40.024 39.000 0.068 0.000 1.322 469 F HN 0.236 nan 8.300 nan 0.000 0.461 470 P HA 0.405 nan 4.420 nan 0.000 0.268 470 P C -1.156 176.222 177.300 0.129 0.000 1.204 470 P CA -0.297 62.890 63.100 0.145 0.000 0.768 470 P CB 0.591 32.363 31.700 0.120 0.000 0.842 471 A N 3.021 125.900 122.820 0.098 0.000 2.327 471 A HA 0.362 4.682 4.320 -0.000 0.000 0.283 471 A C 1.051 178.677 177.584 0.070 0.000 1.127 471 A CA -0.434 51.653 52.037 0.084 0.000 0.810 471 A CB 0.353 19.403 19.000 0.082 0.000 1.066 471 A HN 0.479 nan 8.150 nan 0.000 0.492 472 M N 0.611 120.247 119.600 0.060 0.000 2.216 472 M HA 0.021 4.501 4.480 -0.000 0.000 0.264 472 M C 0.450 176.792 176.300 0.071 0.000 1.080 472 M CA 0.996 56.328 55.300 0.053 0.000 1.153 472 M CB -1.208 31.413 32.600 0.034 0.000 1.356 472 M HN 0.834 nan 8.290 nan 0.000 0.432 473 D N 1.969 122.419 120.400 0.082 0.000 2.435 473 D HA 0.117 4.757 4.640 -0.000 0.000 0.230 473 D C -0.610 175.776 176.300 0.143 0.000 1.215 473 D CA 0.277 54.350 54.000 0.122 0.000 0.947 473 D CB 0.492 41.364 40.800 0.119 0.000 1.048 473 D HN -0.012 nan 8.370 nan 0.000 0.512 474 T N 2.163 116.793 114.554 0.126 0.000 2.940 474 T HA 0.456 4.806 4.350 -0.000 0.000 0.288 474 T C 0.334 175.103 174.700 0.114 0.000 1.033 474 T CA -0.792 61.373 62.100 0.108 0.000 1.033 474 T CB 0.904 69.817 68.868 0.076 0.000 1.079 474 T HN 0.097 nan 8.240 nan 0.000 0.496 475 V N 0.000 119.966 119.914 0.087 0.000 2.409 475 V HA 0.000 4.120 4.120 -0.000 0.000 0.244 475 V CA 0.000 62.342 62.300 0.069 0.000 1.235 475 V CB 0.000 31.839 31.823 0.026 0.000 1.184 475 V HN 0.000 nan 8.190 nan 0.000 0.556