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 1qlv_1_A DATA FIRST_RESID 18 DATA SEQUENCE AQGLATILAI GTATPPNCVA QADYADYYFR VTKSEHMVDL KEKFKRICEK DATA SEQUENCE TAIKKRYLAL TEDYLQENPT MCEFMAPSLN ARQDLVVTGV PMLGKEAAVK DATA SEQUENCE AIDEWGLPKS KITHLIFCTT AGVDMPGADY QLVKLLGLSP SVKRYMLYQQ DATA SEQUENCE GXAAGGTVLR LAKDLAENNK GSRVLIVCSE ITAILFHGPN ENHLDSLVAQ DATA SEQUENCE ALFGDGAAAL IVGSGPHLAV ERPIFEIVST DQTILPDTEK AMKLHLREGG DATA SEQUENCE LTFQLHRDVP LMVAKNIENA AEKALSPLGI TDWNSVFWMV HPGGRAILDQ DATA SEQUENCE VERKLNLKED KLRASRHVLS EYGNLISACV LFIIDEVRKR SMAEGKSTTG DATA SEQUENCE EGLDCGVLFG FGPGMTVETV VLRSVRVT 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 18 A HA 0.000 nan 4.320 nan 0.000 0.244 18 A C 0.000 177.577 177.584 -0.012 0.000 1.274 18 A CA 0.000 52.032 52.037 -0.008 0.000 0.836 18 A CB 0.000 18.988 19.000 -0.021 0.000 0.831 19 Q N -0.879 118.907 119.800 -0.023 0.000 3.331 19 Q HA 0.609 4.949 4.340 -0.000 0.000 0.279 19 Q C 0.959 176.941 176.000 -0.031 0.000 1.025 19 Q CA -0.032 55.754 55.803 -0.029 0.000 0.743 19 Q CB -0.300 28.412 28.738 -0.043 0.000 2.725 19 Q HN 1.029 nan 8.270 nan 0.000 0.380 20 G N 0.202 108.981 108.800 -0.034 0.000 2.447 20 G HA2 0.295 4.255 3.960 -0.000 0.000 0.269 20 G HA3 0.295 4.255 3.960 -0.000 0.000 0.269 20 G C -0.496 174.383 174.900 -0.036 0.000 1.455 20 G CA -0.619 44.462 45.100 -0.031 0.000 1.061 20 G HN 0.313 nan 8.290 nan 0.000 0.545 21 L N 0.607 121.810 121.223 -0.033 0.000 2.485 21 L HA 0.312 4.652 4.340 -0.000 0.000 0.275 21 L C 1.310 178.155 176.870 -0.041 0.000 1.207 21 L CA -0.431 54.387 54.840 -0.036 0.000 0.855 21 L CB 0.327 42.370 42.059 -0.027 0.000 1.114 21 L HN 0.557 nan 8.230 nan 0.000 0.485 22 A N 2.852 125.641 122.820 -0.051 0.000 2.567 22 A HA 0.271 4.591 4.320 -0.000 0.000 0.240 22 A C 0.213 177.772 177.584 -0.042 0.000 1.053 22 A CA 0.301 52.302 52.037 -0.060 0.000 0.755 22 A CB -0.303 18.651 19.000 -0.077 0.000 0.978 22 A HN 0.699 nan 8.150 nan 0.000 0.507 23 T N 3.502 118.031 114.554 -0.042 0.000 2.841 23 T HA 0.456 4.806 4.350 -0.000 0.000 0.285 23 T C 0.002 174.683 174.700 -0.031 0.000 0.991 23 T CA -0.181 61.906 62.100 -0.022 0.000 0.966 23 T CB 0.835 69.690 68.868 -0.022 0.000 0.962 23 T HN 0.470 nan 8.240 nan 0.000 0.438 24 I N 3.972 124.543 120.570 0.001 0.000 2.517 24 I HA 0.120 4.290 4.170 -0.000 0.000 0.285 24 I C 0.829 176.927 176.117 -0.030 0.000 1.106 24 I CA 0.154 61.447 61.300 -0.011 0.000 1.402 24 I CB 0.572 38.610 38.000 0.064 0.000 1.399 24 I HN 0.598 nan 8.210 nan 0.000 0.535 25 L N 6.615 127.798 121.223 -0.068 0.000 2.701 25 L HA 0.524 4.863 4.340 -0.000 0.000 0.238 25 L C 0.548 177.412 176.870 -0.009 0.000 1.106 25 L CA 0.007 54.829 54.840 -0.029 0.000 0.898 25 L CB 0.166 42.221 42.059 -0.006 0.000 1.188 25 L HN 0.711 nan 8.230 nan 0.000 0.508 26 A N 0.759 123.542 122.820 -0.061 0.000 2.594 26 A HA 0.730 5.050 4.320 -0.000 0.000 0.296 26 A C -1.783 175.765 177.584 -0.060 0.000 1.061 26 A CA -0.378 51.641 52.037 -0.030 0.000 0.689 26 A CB 1.918 20.928 19.000 0.017 0.000 1.280 26 A HN 0.054 nan 8.150 nan 0.000 0.406 27 I N 0.124 120.662 120.570 -0.053 0.000 2.752 27 I HA 0.835 5.005 4.170 -0.000 0.000 0.295 27 I C -0.234 175.823 176.117 -0.101 0.000 1.219 27 I CA -0.014 61.237 61.300 -0.082 0.000 1.030 27 I CB 2.333 40.286 38.000 -0.077 0.000 1.259 27 I HN 1.110 nan 8.210 nan 0.000 0.423 28 G N 3.649 112.372 108.800 -0.129 0.000 2.542 28 G HA2 0.700 4.660 3.960 -0.000 0.000 0.311 28 G HA3 0.700 4.660 3.960 -0.000 0.000 0.311 28 G C -1.098 173.658 174.900 -0.240 0.000 1.298 28 G CA -0.408 44.603 45.100 -0.148 0.000 0.973 28 G HN 0.793 nan 8.290 nan 0.000 0.487 29 T N -1.781 112.591 114.554 -0.303 0.000 2.907 29 T HA 0.863 5.213 4.350 -0.000 0.000 0.292 29 T C -0.315 174.244 174.700 -0.236 0.000 1.043 29 T CA -0.462 61.350 62.100 -0.479 0.000 1.003 29 T CB 2.146 70.347 68.868 -1.112 0.000 1.084 29 T HN 1.659 nan 8.240 nan 0.000 0.483 30 A N 1.539 124.298 122.820 -0.102 0.000 2.556 30 A HA 0.998 5.318 4.320 -0.000 0.000 0.294 30 A C -0.123 177.512 177.584 0.084 0.000 1.091 30 A CA -0.759 51.272 52.037 -0.010 0.000 0.704 30 A CB 1.636 20.632 19.000 -0.007 0.000 1.300 30 A HN 1.617 nan 8.150 nan 0.000 0.406 31 T N -1.194 113.365 114.554 0.009 0.000 2.864 31 T HA 0.800 5.149 4.350 -0.000 0.000 0.299 31 T C -3.209 171.488 174.700 -0.005 0.000 1.166 31 T CA -1.730 60.368 62.100 -0.003 0.000 1.007 31 T CB 1.243 69.980 68.868 -0.218 0.000 1.219 31 T HN 0.369 nan 8.240 nan 0.000 0.506 32 P HA 0.243 nan 4.420 nan 0.000 0.270 32 P C -1.732 175.639 177.300 0.118 0.000 1.223 32 P CA -1.389 61.765 63.100 0.091 0.000 0.785 32 P CB 0.160 31.931 31.700 0.118 0.000 0.923 33 P HA -0.089 nan 4.420 nan 0.000 0.222 33 P C 0.192 177.607 177.300 0.192 0.000 1.153 33 P CA 1.098 64.272 63.100 0.124 0.000 0.798 33 P CB -0.041 31.703 31.700 0.073 0.000 0.796 34 N N 0.368 119.161 118.700 0.155 0.000 2.405 34 N HA 0.051 4.791 4.740 -0.000 0.000 0.260 34 N C -1.095 174.471 175.510 0.094 0.000 1.152 34 N CA -0.175 52.933 53.050 0.097 0.000 0.948 34 N CB -0.437 38.081 38.487 0.051 0.000 1.111 34 N HN -0.042 nan 8.380 nan 0.000 0.485 35 C N 3.725 123.026 119.300 0.002 0.000 2.366 35 C HA 0.745 5.205 4.460 -0.000 0.000 0.345 35 C C -0.634 174.234 174.990 -0.202 0.000 1.209 35 C CA -0.414 58.464 59.018 -0.234 0.000 2.050 35 C CB 0.257 27.818 27.740 -0.298 0.000 2.359 35 C HN 0.533 nan 8.230 nan 0.000 0.527 36 V N 4.705 124.477 119.914 -0.236 0.000 2.577 36 V HA 0.581 4.701 4.120 -0.000 0.000 0.303 36 V C 0.337 176.361 176.094 -0.116 0.000 1.042 36 V CA -0.562 61.657 62.300 -0.135 0.000 0.872 36 V CB 1.358 33.156 31.823 -0.042 0.000 0.998 36 V HN 1.140 nan 8.190 nan 0.000 0.423 37 A N 2.830 125.606 122.820 -0.072 0.000 2.492 37 A HA 0.307 4.627 4.320 -0.000 0.000 0.254 37 A C 1.161 178.746 177.584 0.002 0.000 1.091 37 A CA 0.037 52.039 52.037 -0.059 0.000 0.768 37 A CB 0.520 19.496 19.000 -0.039 0.000 1.028 37 A HN 0.939 nan 8.150 nan 0.000 0.498 38 Q N 3.289 123.063 119.800 -0.043 0.000 2.135 38 Q HA -0.177 4.163 4.340 -0.000 0.000 0.204 38 Q C 2.013 178.031 176.000 0.029 0.000 0.981 38 Q CA 2.633 58.422 55.803 -0.024 0.000 0.856 38 Q CB -0.419 28.257 28.738 -0.103 0.000 0.902 38 Q HN 0.952 nan 8.270 nan 0.000 0.425 39 A N 0.220 123.041 122.820 0.001 0.000 2.024 39 A HA -0.181 4.139 4.320 -0.000 0.000 0.220 39 A C 1.328 178.941 177.584 0.047 0.000 1.164 39 A CA 1.882 53.922 52.037 0.006 0.000 0.643 39 A CB -0.340 18.655 19.000 -0.009 0.000 0.806 39 A HN 0.472 nan 8.150 nan 0.000 0.451 40 D N -2.970 117.481 120.400 0.085 0.000 2.398 40 D HA 0.067 4.707 4.640 -0.000 0.000 0.210 40 D C 1.164 177.591 176.300 0.212 0.000 1.094 40 D CA 0.027 54.099 54.000 0.120 0.000 0.839 40 D CB -0.123 40.730 40.800 0.089 0.000 0.963 40 D HN 0.532 nan 8.370 nan 0.000 0.506 41 Y N 2.542 122.919 120.300 0.127 0.000 2.181 41 Y HA -0.180 4.370 4.550 -0.000 0.000 0.288 41 Y C 2.402 178.556 175.900 0.423 0.000 1.146 41 Y CA 1.622 59.882 58.100 0.266 0.000 1.164 41 Y CB -0.142 38.408 38.460 0.150 0.000 0.982 41 Y HN -0.027 nan 8.280 nan 0.000 0.515 42 A N -0.004 123.012 122.820 0.326 0.000 1.908 42 A HA -0.216 4.104 4.320 -0.000 0.000 0.218 42 A C 2.011 179.854 177.584 0.431 0.000 1.181 42 A CA 2.074 54.411 52.037 0.501 0.000 0.627 42 A CB -0.834 18.335 19.000 0.283 0.000 0.818 42 A HN 0.514 nan 8.150 nan 0.000 0.445 43 D N -1.529 119.017 120.400 0.244 0.000 2.084 43 D HA -0.177 4.463 4.640 -0.000 0.000 0.194 43 D C 1.751 178.159 176.300 0.180 0.000 0.990 43 D CA 1.813 55.925 54.000 0.186 0.000 0.826 43 D CB -0.608 40.271 40.800 0.132 0.000 0.971 43 D HN 0.609 nan 8.370 nan 0.000 0.453 44 Y N 0.674 121.005 120.300 0.051 0.000 2.128 44 Y HA -0.341 4.208 4.550 -0.000 0.000 0.284 44 Y C 2.359 178.249 175.900 -0.016 0.000 1.154 44 Y CA 1.586 59.679 58.100 -0.011 0.000 1.149 44 Y CB -0.780 37.638 38.460 -0.071 0.000 0.976 44 Y HN 0.005 nan 8.280 nan 0.000 0.505 45 Y N -0.414 119.640 120.300 -0.411 0.000 2.089 45 Y HA -0.243 4.307 4.550 -0.000 0.000 0.282 45 Y C 1.999 177.744 175.900 -0.258 0.000 1.139 45 Y CA 2.126 59.963 58.100 -0.438 0.000 1.123 45 Y CB -1.105 37.224 38.460 -0.217 0.000 0.980 45 Y HN 0.124 nan 8.280 nan 0.000 0.493 46 F N -0.008 119.846 119.950 -0.161 0.000 2.365 46 F HA -0.063 4.463 4.527 -0.000 0.000 0.300 46 F C 2.259 177.946 175.800 -0.188 0.000 1.090 46 F CA 1.192 59.062 58.000 -0.217 0.000 1.408 46 F CB -0.196 38.784 39.000 -0.033 0.000 1.060 46 F HN -0.050 nan 8.300 nan 0.000 0.534 47 R N -0.216 120.273 120.500 -0.018 0.000 2.080 47 R HA -0.056 4.284 4.340 -0.000 0.000 0.222 47 R C 2.334 178.554 176.300 -0.135 0.000 1.107 47 R CA 1.321 57.398 56.100 -0.040 0.000 0.980 47 R CB -0.743 29.556 30.300 -0.001 0.000 0.879 47 R HN 0.260 nan 8.270 nan 0.000 0.439 48 V N -1.475 118.263 119.914 -0.293 0.000 2.548 48 V HA -0.107 4.013 4.120 -0.000 0.000 0.249 48 V C 1.701 177.664 176.094 -0.219 0.000 1.055 48 V CA 1.921 64.054 62.300 -0.279 0.000 1.065 48 V CB -1.063 30.495 31.823 -0.443 0.000 0.681 48 V HN 0.389 nan 8.190 nan 0.000 0.462 49 T N -2.712 111.661 114.554 -0.302 0.000 3.129 49 T HA 0.172 4.521 4.350 -0.000 0.000 0.251 49 T C 0.765 175.381 174.700 -0.141 0.000 1.117 49 T CA 0.199 62.143 62.100 -0.261 0.000 1.034 49 T CB -0.654 67.929 68.868 -0.475 0.000 0.968 49 T HN 0.661 nan 8.240 nan 0.000 0.526 50 K N 0.706 121.052 120.400 -0.089 0.000 3.148 50 K HA -0.137 4.183 4.320 -0.000 0.000 0.267 50 K C 0.169 176.838 176.600 0.114 0.000 0.996 50 K CA 0.556 56.853 56.287 0.018 0.000 0.737 50 K CB -2.237 30.273 32.500 0.017 0.000 1.308 50 K HN 0.344 nan 8.250 nan 0.000 0.470 51 S N 0.347 116.082 115.700 0.058 0.000 2.588 51 S HA 0.065 4.535 4.470 -0.000 0.000 0.245 51 S C 1.143 175.795 174.600 0.087 0.000 1.021 51 S CA -0.594 57.631 58.200 0.042 0.000 1.006 51 S CB 0.360 63.476 63.200 -0.141 0.000 0.830 51 S HN 0.241 nan 8.310 nan 0.000 0.468 52 E N 2.076 122.366 120.200 0.150 0.000 2.070 52 E HA -0.227 4.123 4.350 -0.000 0.000 0.197 52 E C 1.719 178.353 176.600 0.057 0.000 1.004 52 E CA 1.405 57.880 56.400 0.125 0.000 0.805 52 E CB -0.505 29.277 29.700 0.136 0.000 0.744 52 E HN 0.806 nan 8.360 nan 0.000 0.451 53 H N 0.067 119.186 119.070 0.081 0.000 2.518 53 H HA -0.025 4.530 4.556 -0.000 0.000 0.292 53 H C 1.026 176.382 175.328 0.047 0.000 1.068 53 H CA 0.533 56.611 56.048 0.051 0.000 1.275 53 H CB -0.636 29.154 29.762 0.047 0.000 1.375 53 H HN 0.138 nan 8.280 nan 0.000 0.563 54 M N 2.103 121.491 119.600 -0.353 0.000 3.742 54 M HA 0.073 4.553 4.480 -0.000 0.000 0.197 54 M C 1.615 177.822 176.300 -0.155 0.000 1.417 54 M CA -0.285 54.907 55.300 -0.181 0.000 1.653 54 M CB 0.748 33.302 32.600 -0.077 0.000 1.079 54 M HN 0.058 nan 8.290 nan 0.000 0.558 55 V N 1.083 120.925 119.914 -0.120 0.000 2.324 55 V HA -0.312 3.808 4.120 -0.000 0.000 0.250 55 V C 1.671 177.682 176.094 -0.138 0.000 1.060 55 V CA 3.096 65.313 62.300 -0.139 0.000 1.042 55 V CB -0.192 31.592 31.823 -0.066 0.000 0.650 55 V HN 0.761 nan 8.190 nan 0.000 0.450 56 D N -0.662 119.689 120.400 -0.081 0.000 2.087 56 D HA -0.242 4.398 4.640 -0.000 0.000 0.192 56 D C 2.012 178.275 176.300 -0.062 0.000 0.993 56 D CA 2.153 56.119 54.000 -0.056 0.000 0.828 56 D CB -0.405 40.379 40.800 -0.027 0.000 0.968 56 D HN 0.394 nan 8.370 nan 0.000 0.448 57 L N 0.769 121.966 121.223 -0.044 0.000 2.079 57 L HA -0.096 4.244 4.340 -0.000 0.000 0.210 57 L C 2.185 179.022 176.870 -0.057 0.000 1.081 57 L CA 1.840 56.699 54.840 0.032 0.000 0.752 57 L CB -0.835 41.298 42.059 0.124 0.000 0.896 57 L HN 0.078 nan 8.230 nan 0.000 0.433 58 K N -0.512 119.601 120.400 -0.477 0.000 2.063 58 K HA -0.219 4.101 4.320 -0.000 0.000 0.208 58 K C 1.947 178.356 176.600 -0.318 0.000 1.048 58 K CA 1.862 57.553 56.287 -0.993 0.000 0.928 58 K CB -0.110 31.739 32.500 -1.086 0.000 0.713 58 K HN 0.488 nan 8.250 nan 0.000 0.442 59 E N 0.156 120.243 120.200 -0.187 0.000 2.077 59 E HA -0.192 4.158 4.350 -0.000 0.000 0.193 59 E C 1.953 178.541 176.600 -0.020 0.000 0.989 59 E CA 1.083 57.432 56.400 -0.084 0.000 0.800 59 E CB 0.079 29.741 29.700 -0.064 0.000 0.746 59 E HN 0.117 nan 8.360 nan 0.000 0.452 60 K N 0.583 120.992 120.400 0.016 0.000 2.032 60 K HA -0.163 4.157 4.320 -0.000 0.000 0.209 60 K C 1.779 178.468 176.600 0.147 0.000 1.048 60 K CA 1.016 57.346 56.287 0.072 0.000 0.927 60 K CB -0.781 31.774 32.500 0.091 0.000 0.712 60 K HN 0.108 nan 8.250 nan 0.000 0.441 61 F N 2.081 122.058 119.950 0.044 0.000 2.186 61 F HA -0.124 4.403 4.527 -0.000 0.000 0.299 61 F C 1.692 177.532 175.800 0.067 0.000 1.090 61 F CA 1.378 59.445 58.000 0.113 0.000 1.307 61 F CB 0.009 39.210 39.000 0.335 0.000 1.019 61 F HN -0.067 nan 8.300 nan 0.000 0.489 62 K N -0.201 120.202 120.400 0.006 0.000 2.097 62 K HA -0.181 4.139 4.320 -0.000 0.000 0.206 62 K C 2.356 178.887 176.600 -0.114 0.000 1.049 62 K CA 0.834 57.062 56.287 -0.097 0.000 0.933 62 K CB -0.338 32.133 32.500 -0.049 0.000 0.717 62 K HN 0.164 nan 8.250 nan 0.000 0.442 63 R N 1.307 121.769 120.500 -0.062 0.000 2.081 63 R HA -0.048 4.292 4.340 -0.000 0.000 0.235 63 R C 2.252 178.503 176.300 -0.082 0.000 1.131 63 R CA 1.066 57.132 56.100 -0.057 0.000 0.960 63 R CB -0.491 29.793 30.300 -0.027 0.000 0.856 63 R HN 0.218 nan 8.270 nan 0.000 0.436 64 I N -0.128 120.391 120.570 -0.085 0.000 2.163 64 I HA -0.367 3.803 4.170 -0.000 0.000 0.243 64 I C 2.557 178.552 176.117 -0.205 0.000 1.085 64 I CA 1.158 62.395 61.300 -0.106 0.000 1.347 64 I CB -0.395 37.585 38.000 -0.033 0.000 1.044 64 I HN 0.178 nan 8.210 nan 0.000 0.408 65 C N 0.396 119.488 119.300 -0.346 0.000 2.425 65 C HA -0.131 4.329 4.460 -0.000 0.000 0.277 65 C C 2.755 177.631 174.990 -0.189 0.000 1.280 65 C CA 0.620 59.439 59.018 -0.330 0.000 1.744 65 C CB -0.957 26.551 27.740 -0.386 0.000 1.989 65 C HN 0.476 nan 8.230 nan 0.000 0.491 66 E N 1.355 121.466 120.200 -0.147 0.000 2.038 66 E HA -0.231 4.119 4.350 -0.000 0.000 0.195 66 E C 2.055 178.601 176.600 -0.090 0.000 1.000 66 E CA 1.730 58.070 56.400 -0.099 0.000 0.803 66 E CB -0.285 29.369 29.700 -0.076 0.000 0.750 66 E HN 0.774 nan 8.360 nan 0.000 0.448 67 K N 0.536 120.883 120.400 -0.088 0.000 2.504 67 K HA -0.041 4.279 4.320 -0.000 0.000 0.195 67 K C 1.712 178.261 176.600 -0.085 0.000 1.036 67 K CA 1.457 57.700 56.287 -0.074 0.000 0.984 67 K CB -0.598 31.865 32.500 -0.061 0.000 0.788 67 K HN 0.052 nan 8.250 nan 0.000 0.488 68 T N -2.374 112.114 114.554 -0.110 0.000 2.881 68 T HA 0.048 4.398 4.350 -0.000 0.000 0.270 68 T C 1.433 176.070 174.700 -0.106 0.000 1.068 68 T CA 0.589 62.615 62.100 -0.122 0.000 1.131 68 T CB -0.546 68.225 68.868 -0.162 0.000 0.871 68 T HN 0.603 nan 8.240 nan 0.000 0.479 69 A N 0.459 123.224 122.820 -0.092 0.000 2.905 69 A HA -0.098 4.222 4.320 -0.000 0.000 0.260 69 A C 0.263 177.793 177.584 -0.091 0.000 1.398 69 A CA 0.812 52.802 52.037 -0.078 0.000 0.840 69 A CB -2.678 16.286 19.000 -0.060 0.000 1.059 69 A HN 0.706 nan 8.150 nan 0.000 0.647 70 I N -0.510 119.993 120.570 -0.113 0.000 2.378 70 I HA 0.294 4.464 4.170 -0.000 0.000 0.291 70 I C 1.217 177.255 176.117 -0.132 0.000 0.992 70 I CA -0.659 60.562 61.300 -0.131 0.000 1.154 70 I CB 1.646 39.551 38.000 -0.158 0.000 1.315 70 I HN 0.251 nan 8.210 nan 0.000 0.448 71 K N 5.330 125.646 120.400 -0.140 0.000 2.276 71 K HA 0.162 4.482 4.320 -0.000 0.000 0.198 71 K C 0.153 176.659 176.600 -0.156 0.000 1.052 71 K CA 0.453 56.660 56.287 -0.133 0.000 0.984 71 K CB 0.430 32.853 32.500 -0.127 0.000 0.836 71 K HN 0.579 nan 8.250 nan 0.000 0.490 72 K N 0.383 120.661 120.400 -0.203 0.000 2.579 72 K HA 0.495 4.815 4.320 -0.000 0.000 0.284 72 K C -1.526 174.895 176.600 -0.298 0.000 0.990 72 K CA -1.007 55.124 56.287 -0.261 0.000 0.880 72 K CB 2.073 34.379 32.500 -0.324 0.000 1.488 72 K HN -0.212 nan 8.250 nan 0.000 0.425 73 R N 0.752 121.049 120.500 -0.338 0.000 2.673 73 R HA 0.367 4.707 4.340 -0.000 0.000 0.281 73 R C -1.573 174.518 176.300 -0.349 0.000 0.991 73 R CA -0.701 55.246 56.100 -0.255 0.000 0.896 73 R CB 1.484 31.684 30.300 -0.167 0.000 1.201 73 R HN 0.496 nan 8.270 nan 0.000 0.457 74 Y N 2.312 122.624 120.300 0.020 0.000 2.313 74 Y HA 0.481 5.031 4.550 -0.000 0.000 0.332 74 Y C -0.069 175.853 175.900 0.036 0.000 1.071 74 Y CA -0.468 57.655 58.100 0.039 0.000 1.169 74 Y CB 0.984 39.499 38.460 0.092 0.000 1.192 74 Y HN 0.197 nan 8.280 nan 0.000 0.487 75 L N 2.430 123.739 121.223 0.144 0.000 2.409 75 L HA 0.513 4.853 4.340 -0.000 0.000 0.272 75 L C 0.667 177.581 176.870 0.073 0.000 0.980 75 L CA -0.710 54.189 54.840 0.099 0.000 0.826 75 L CB 2.143 44.252 42.059 0.084 0.000 1.268 75 L HN 0.792 nan 8.230 nan 0.000 0.407 76 A N 3.693 126.544 122.820 0.051 0.000 2.014 76 A HA 0.069 4.388 4.320 -0.000 0.000 0.218 76 A C 0.931 178.489 177.584 -0.043 0.000 1.163 76 A CA 0.548 52.589 52.037 0.005 0.000 0.652 76 A CB 0.001 18.995 19.000 -0.011 0.000 0.808 76 A HN 0.584 nan 8.150 nan 0.000 0.449 77 L N 2.448 123.650 121.223 -0.035 0.000 2.477 77 L HA 0.154 4.494 4.340 -0.000 0.000 0.272 77 L C 0.450 177.317 176.870 -0.005 0.000 1.157 77 L CA 0.119 54.921 54.840 -0.064 0.000 0.889 77 L CB 0.673 42.682 42.059 -0.084 0.000 1.158 77 L HN 0.502 nan 8.230 nan 0.000 0.473 78 T N -0.213 114.354 114.554 0.022 0.000 2.950 78 T HA 0.260 4.610 4.350 -0.000 0.000 0.288 78 T C 0.899 175.663 174.700 0.108 0.000 1.035 78 T CA -0.619 61.524 62.100 0.073 0.000 1.028 78 T CB 1.605 70.516 68.868 0.072 0.000 1.109 78 T HN 0.711 nan 8.240 nan 0.000 0.514 79 E N 0.663 120.949 120.200 0.144 0.000 2.204 79 E HA -0.179 4.171 4.350 -0.000 0.000 0.194 79 E C 0.857 177.501 176.600 0.073 0.000 0.989 79 E CA 1.490 57.968 56.400 0.130 0.000 0.824 79 E CB -0.403 29.422 29.700 0.209 0.000 0.756 79 E HN 0.817 nan 8.360 nan 0.000 0.477 80 D N -0.079 120.371 120.400 0.083 0.000 2.277 80 D HA -0.190 4.449 4.640 -0.000 0.000 0.208 80 D C 1.796 178.131 176.300 0.059 0.000 0.962 80 D CA 0.335 54.368 54.000 0.055 0.000 0.865 80 D CB -0.548 40.284 40.800 0.053 0.000 0.939 80 D HN 0.299 nan 8.370 nan 0.000 0.510 81 Y N 1.102 121.390 120.300 -0.019 0.000 2.200 81 Y HA -0.027 4.523 4.550 -0.000 0.000 0.290 81 Y C 1.987 177.857 175.900 -0.050 0.000 1.137 81 Y CA 1.260 59.341 58.100 -0.031 0.000 1.163 81 Y CB -0.145 38.295 38.460 -0.033 0.000 0.988 81 Y HN -0.055 nan 8.280 nan 0.000 0.518 82 L N -0.200 121.045 121.223 0.037 0.000 1.994 82 L HA -0.276 4.064 4.340 -0.000 0.000 0.208 82 L C 2.342 179.157 176.870 -0.092 0.000 1.071 82 L CA 1.558 56.363 54.840 -0.059 0.000 0.745 82 L CB -0.555 41.449 42.059 -0.093 0.000 0.892 82 L HN 0.294 nan 8.230 nan 0.000 0.431 83 Q N -0.614 119.146 119.800 -0.067 0.000 2.436 83 Q HA -0.138 4.202 4.340 -0.000 0.000 0.209 83 Q C 1.655 177.599 176.000 -0.093 0.000 0.965 83 Q CA 0.734 56.496 55.803 -0.069 0.000 0.910 83 Q CB 0.007 28.720 28.738 -0.042 0.000 0.980 83 Q HN 0.581 nan 8.270 nan 0.000 0.491 84 E N 0.913 121.031 120.200 -0.138 0.000 2.250 84 E HA 0.021 4.371 4.350 -0.000 0.000 0.192 84 E C 0.106 176.563 176.600 -0.239 0.000 0.986 84 E CA 0.264 56.554 56.400 -0.184 0.000 0.849 84 E CB 0.463 30.027 29.700 -0.227 0.000 0.797 84 E HN 0.333 nan 8.360 nan 0.000 0.482 85 N N 1.228 119.760 118.700 -0.279 0.000 2.813 85 N HA 0.127 4.867 4.740 -0.000 0.000 0.282 85 N C -2.238 173.194 175.510 -0.130 0.000 1.748 85 N CA -0.932 51.977 53.050 -0.235 0.000 0.860 85 N CB 1.482 39.751 38.487 -0.363 0.000 1.204 85 N HN 0.073 nan 8.380 nan 0.000 0.490 86 P HA -0.144 nan 4.420 nan 0.000 0.220 86 P C 1.469 178.723 177.300 -0.077 0.000 1.148 86 P CA 1.355 64.403 63.100 -0.087 0.000 0.803 86 P CB -0.051 31.596 31.700 -0.088 0.000 0.782 87 T N -3.579 110.935 114.554 -0.066 0.000 2.929 87 T HA -0.091 4.259 4.350 -0.000 0.000 0.271 87 T C 1.889 176.578 174.700 -0.019 0.000 1.085 87 T CA 0.880 62.947 62.100 -0.055 0.000 1.125 87 T CB -1.093 67.752 68.868 -0.038 0.000 0.874 87 T HN 0.038 nan 8.240 nan 0.000 0.494 88 M N 0.171 119.781 119.600 0.017 0.000 2.279 88 M HA 0.015 4.495 4.480 -0.000 0.000 0.264 88 M C 2.334 178.730 176.300 0.159 0.000 1.062 88 M CA 0.926 56.287 55.300 0.103 0.000 1.099 88 M CB -0.564 32.118 32.600 0.137 0.000 1.394 88 M HN 0.407 nan 8.290 nan 0.000 0.426 89 C N 0.078 119.419 119.300 0.067 0.000 2.485 89 C HA 0.020 4.480 4.460 -0.000 0.000 0.278 89 C C 1.201 176.046 174.990 -0.241 0.000 1.356 89 C CA -0.203 58.820 59.018 0.008 0.000 1.747 89 C CB -0.793 26.911 27.740 -0.061 0.000 2.001 89 C HN 0.419 nan 8.230 nan 0.000 0.501 90 E N 0.104 120.141 120.200 -0.272 0.000 2.467 90 E HA -0.041 4.309 4.350 -0.000 0.000 0.264 90 E C 0.183 176.578 176.600 -0.341 0.000 1.020 90 E CA 0.227 56.351 56.400 -0.460 0.000 0.945 90 E CB 0.170 29.723 29.700 -0.246 0.000 0.942 90 E HN 0.419 nan 8.360 nan 0.000 0.449 91 F N 1.834 121.757 119.950 -0.045 0.000 2.802 91 F HA 0.223 4.750 4.527 -0.000 0.000 0.300 91 F C 0.291 176.018 175.800 -0.123 0.000 1.168 91 F CA 0.054 58.002 58.000 -0.086 0.000 1.433 91 F CB -0.048 38.897 39.000 -0.090 0.000 1.115 91 F HN 0.233 nan 8.300 nan 0.000 0.582 92 M N -0.172 119.437 119.600 0.017 0.000 2.416 92 M HA 0.470 4.950 4.480 -0.000 0.000 0.196 92 M C -1.721 174.573 176.300 -0.010 0.000 0.869 92 M CA -0.660 54.636 55.300 -0.007 0.000 0.758 92 M CB 0.107 32.670 32.600 -0.061 0.000 2.304 92 M HN 0.029 nan 8.290 nan 0.000 0.485 93 A N 4.925 127.746 122.820 0.001 0.000 2.597 93 A HA 0.977 5.297 4.320 -0.000 0.000 0.292 93 A C -3.221 174.372 177.584 0.014 0.000 1.057 93 A CA -1.061 50.972 52.037 -0.006 0.000 0.674 93 A CB 1.514 20.492 19.000 -0.036 0.000 1.278 93 A HN 0.446 nan 8.150 nan 0.000 0.416 94 P HA 0.225 nan 4.420 nan 0.000 0.271 94 P C 0.320 177.631 177.300 0.018 0.000 1.233 94 P CA 0.453 63.564 63.100 0.017 0.000 0.764 94 P CB 0.937 32.641 31.700 0.007 0.000 0.825 95 S N 1.338 117.060 115.700 0.036 0.000 2.800 95 S HA 0.016 4.486 4.470 -0.000 0.000 0.266 95 S C 1.152 175.783 174.600 0.052 0.000 1.029 95 S CA -0.330 57.894 58.200 0.040 0.000 1.302 95 S CB -0.657 62.576 63.200 0.055 0.000 1.212 95 S HN 0.224 nan 8.310 nan 0.000 0.683 96 L N 3.069 124.321 121.223 0.048 0.000 2.046 96 L HA 0.075 4.415 4.340 -0.000 0.000 0.208 96 L C 1.795 178.690 176.870 0.042 0.000 1.077 96 L CA 2.008 56.875 54.840 0.046 0.000 0.747 96 L CB -1.034 41.048 42.059 0.037 0.000 0.896 96 L HN 0.211 nan 8.230 nan 0.000 0.432 97 N N 0.421 119.141 118.700 0.034 0.000 2.061 97 N HA -0.192 4.548 4.740 -0.000 0.000 0.193 97 N C 1.876 177.423 175.510 0.061 0.000 1.030 97 N CA 1.860 54.930 53.050 0.034 0.000 0.856 97 N CB -0.712 37.787 38.487 0.021 0.000 1.023 97 N HN 0.542 nan 8.380 nan 0.000 0.424 98 A N 1.189 124.050 122.820 0.069 0.000 1.908 98 A HA -0.133 4.187 4.320 -0.000 0.000 0.218 98 A C 2.237 179.952 177.584 0.220 0.000 1.181 98 A CA 1.423 53.538 52.037 0.130 0.000 0.627 98 A CB -0.400 18.638 19.000 0.063 0.000 0.818 98 A HN 0.290 nan 8.150 nan 0.000 0.445 99 R N -0.931 119.652 120.500 0.138 0.000 2.073 99 R HA -0.074 4.266 4.340 -0.000 0.000 0.229 99 R C 2.429 178.766 176.300 0.061 0.000 1.120 99 R CA 1.226 57.389 56.100 0.105 0.000 0.967 99 R CB -0.319 30.023 30.300 0.070 0.000 0.862 99 R HN 0.520 nan 8.270 nan 0.000 0.436 100 Q N 0.881 120.712 119.800 0.052 0.000 2.096 100 Q HA -0.186 4.154 4.340 -0.000 0.000 0.204 100 Q C 1.522 177.544 176.000 0.038 0.000 0.982 100 Q CA 1.446 57.266 55.803 0.029 0.000 0.850 100 Q CB -0.238 28.510 28.738 0.016 0.000 0.901 100 Q HN 0.348 nan 8.270 nan 0.000 0.422 101 D N 0.692 121.137 120.400 0.075 0.000 2.149 101 D HA -0.137 4.503 4.640 -0.000 0.000 0.198 101 D C 1.982 178.311 176.300 0.048 0.000 0.990 101 D CA 0.587 54.641 54.000 0.090 0.000 0.839 101 D CB -0.220 40.678 40.800 0.163 0.000 0.948 101 D HN 0.170 nan 8.370 nan 0.000 0.460 102 L N 0.574 121.792 121.223 -0.009 0.000 1.988 102 L HA -0.144 4.196 4.340 -0.000 0.000 0.207 102 L C 2.401 179.225 176.870 -0.078 0.000 1.071 102 L CA 1.214 55.950 54.840 -0.173 0.000 0.744 102 L CB -0.119 41.723 42.059 -0.362 0.000 0.893 102 L HN 0.016 nan 8.230 nan 0.000 0.433 103 V N -4.574 115.320 119.914 -0.032 0.000 2.951 103 V HA -0.057 4.063 4.120 -0.000 0.000 0.255 103 V C 2.185 178.293 176.094 0.023 0.000 1.088 103 V CA 0.839 63.139 62.300 -0.000 0.000 1.109 103 V CB -0.158 31.675 31.823 0.017 0.000 0.724 103 V HN 0.214 nan 8.190 nan 0.000 0.471 104 V N 1.357 121.281 119.914 0.017 0.000 2.515 104 V HA -0.191 3.929 4.120 -0.000 0.000 0.250 104 V C 2.689 178.796 176.094 0.022 0.000 1.058 104 V CA 2.742 65.056 62.300 0.024 0.000 1.064 104 V CB -0.743 31.090 31.823 0.016 0.000 0.675 104 V HN 0.678 nan 8.190 nan 0.000 0.461 105 T N -0.440 114.123 114.554 0.015 0.000 2.939 105 T HA 0.032 4.382 4.350 -0.000 0.000 0.254 105 T C 1.834 176.546 174.700 0.019 0.000 1.041 105 T CA 1.154 63.263 62.100 0.015 0.000 1.142 105 T CB -0.230 68.644 68.868 0.010 0.000 0.874 105 T HN 0.569 nan 8.240 nan 0.000 0.452 106 G N 0.812 109.620 108.800 0.013 0.000 2.421 106 G HA2 -0.092 3.868 3.960 -0.000 0.000 0.217 106 G HA3 -0.092 3.868 3.960 -0.000 0.000 0.217 106 G C 1.657 176.596 174.900 0.065 0.000 1.143 106 G CA 0.443 45.556 45.100 0.022 0.000 0.784 106 G HN 0.381 nan 8.290 nan 0.000 0.541 107 V N 2.182 122.150 119.914 0.090 0.000 2.270 107 V HA -0.079 4.040 4.120 -0.000 0.000 0.245 107 V C 0.325 176.572 176.094 0.255 0.000 1.043 107 V CA 2.259 64.663 62.300 0.174 0.000 1.014 107 V CB -0.704 31.243 31.823 0.205 0.000 0.645 107 V HN 0.309 nan 8.190 nan 0.000 0.447 108 P HA -0.112 nan 4.420 nan 0.000 0.219 108 P C 1.899 179.288 177.300 0.148 0.000 1.150 108 P CA 1.411 64.607 63.100 0.161 0.000 0.814 108 P CB -0.099 31.566 31.700 -0.059 0.000 0.787 109 M N -1.103 118.551 119.600 0.090 0.000 2.099 109 M HA -0.077 4.403 4.480 -0.000 0.000 0.262 109 M C 2.144 178.489 176.300 0.075 0.000 1.067 109 M CA 1.230 56.569 55.300 0.065 0.000 1.124 109 M CB -1.494 31.130 32.600 0.040 0.000 1.353 109 M HN -0.032 nan 8.290 nan 0.000 0.410 110 L N 0.541 121.815 121.223 0.086 0.000 2.046 110 L HA -0.057 4.283 4.340 -0.000 0.000 0.208 110 L C 2.295 179.213 176.870 0.080 0.000 1.077 110 L CA 2.117 57.003 54.840 0.077 0.000 0.747 110 L CB -1.254 40.854 42.059 0.082 0.000 0.896 110 L HN 0.304 nan 8.230 nan 0.000 0.432 111 G N -0.924 107.953 108.800 0.129 0.000 2.422 111 G HA2 -0.294 3.666 3.960 -0.000 0.000 0.218 111 G HA3 -0.294 3.666 3.960 -0.000 0.000 0.218 111 G C 1.697 176.643 174.900 0.076 0.000 1.146 111 G CA 0.754 45.907 45.100 0.089 0.000 0.769 111 G HN 0.403 nan 8.290 nan 0.000 0.547 112 K N 0.681 121.145 120.400 0.106 0.000 2.057 112 K HA -0.111 4.209 4.320 -0.000 0.000 0.207 112 K C 2.304 178.924 176.600 0.035 0.000 1.049 112 K CA 1.577 57.904 56.287 0.067 0.000 0.931 112 K CB -0.209 32.325 32.500 0.057 0.000 0.714 112 K HN 0.372 nan 8.250 nan 0.000 0.440 113 E N 0.028 120.247 120.200 0.031 0.000 2.085 113 E HA -0.183 4.167 4.350 -0.000 0.000 0.194 113 E C 1.902 178.499 176.600 -0.004 0.000 0.994 113 E CA 1.491 57.899 56.400 0.014 0.000 0.801 113 E CB -0.130 29.579 29.700 0.015 0.000 0.743 113 E HN 0.447 nan 8.360 nan 0.000 0.453 114 A N 0.905 123.718 122.820 -0.012 0.000 1.929 114 A HA -0.009 4.311 4.320 -0.000 0.000 0.216 114 A C 2.311 179.869 177.584 -0.045 0.000 1.176 114 A CA 1.422 53.431 52.037 -0.048 0.000 0.628 114 A CB -0.499 18.461 19.000 -0.067 0.000 0.816 114 A HN 0.291 nan 8.150 nan 0.000 0.444 115 A N -0.545 122.260 122.820 -0.025 0.000 1.969 115 A HA 0.063 4.383 4.320 -0.000 0.000 0.218 115 A C 2.166 179.754 177.584 0.007 0.000 1.169 115 A CA 1.540 53.567 52.037 -0.017 0.000 0.635 115 A CB -0.751 18.250 19.000 0.002 0.000 0.810 115 A HN 0.328 nan 8.150 nan 0.000 0.445 116 V N 0.046 119.967 119.914 0.012 0.000 2.343 116 V HA -0.291 3.829 4.120 -0.000 0.000 0.247 116 V C 2.474 178.580 176.094 0.021 0.000 1.051 116 V CA 2.462 64.776 62.300 0.023 0.000 1.036 116 V CB -0.627 31.206 31.823 0.017 0.000 0.654 116 V HN 0.557 nan 8.190 nan 0.000 0.451 117 K N 0.091 120.491 120.400 -0.000 0.000 2.057 117 K HA -0.115 4.205 4.320 -0.000 0.000 0.207 117 K C 2.275 178.876 176.600 0.001 0.000 1.049 117 K CA 1.505 57.787 56.287 -0.009 0.000 0.931 117 K CB -0.456 32.021 32.500 -0.037 0.000 0.714 117 K HN 0.484 nan 8.250 nan 0.000 0.440 118 A N 1.066 123.880 122.820 -0.009 0.000 1.873 118 A HA -0.132 4.188 4.320 -0.000 0.000 0.215 118 A C 2.118 179.751 177.584 0.081 0.000 1.186 118 A CA 1.315 53.351 52.037 -0.001 0.000 0.616 118 A CB -0.567 18.403 19.000 -0.050 0.000 0.823 118 A HN 0.186 nan 8.150 nan 0.000 0.442 119 I N -0.193 120.442 120.570 0.108 0.000 2.315 119 I HA -0.211 3.959 4.170 -0.000 0.000 0.248 119 I C 1.816 178.056 176.117 0.204 0.000 1.117 119 I CA 1.258 62.702 61.300 0.239 0.000 1.404 119 I CB -0.450 37.670 38.000 0.200 0.000 1.071 119 I HN 0.223 nan 8.210 nan 0.000 0.419 120 D N 0.739 121.203 120.400 0.105 0.000 2.104 120 D HA -0.247 4.393 4.640 -0.000 0.000 0.194 120 D C 2.019 178.362 176.300 0.070 0.000 0.994 120 D CA 1.357 55.395 54.000 0.063 0.000 0.830 120 D CB -0.237 40.582 40.800 0.032 0.000 0.959 120 D HN 0.434 nan 8.370 nan 0.000 0.452 121 E N -0.545 119.704 120.200 0.081 0.000 2.077 121 E HA -0.195 4.155 4.350 -0.000 0.000 0.193 121 E C 2.039 178.728 176.600 0.148 0.000 0.989 121 E CA 0.808 57.255 56.400 0.078 0.000 0.800 121 E CB -0.193 29.538 29.700 0.051 0.000 0.746 121 E HN 0.266 nan 8.360 nan 0.000 0.452 122 W N 0.766 122.052 121.300 -0.022 0.000 2.333 122 W HA -0.126 4.534 4.660 -0.000 0.000 0.316 122 W C 1.721 178.233 176.519 -0.011 0.000 1.215 122 W CA 3.006 60.343 57.345 -0.014 0.000 1.278 122 W CB -0.673 28.782 29.460 -0.008 0.000 1.154 122 W HN 0.376 nan 8.180 nan 0.000 0.486 123 G N -1.057 107.722 108.800 -0.034 0.000 2.225 123 G HA2 -0.291 3.668 3.960 -0.000 0.000 0.254 123 G HA3 -0.291 3.668 3.960 -0.000 0.000 0.254 123 G C -0.019 174.641 174.900 -0.400 0.000 0.988 123 G CA 0.237 45.227 45.100 -0.183 0.000 0.625 123 G HN 0.279 nan 8.290 nan 0.000 0.527 124 L N 1.722 122.411 121.223 -0.890 0.000 2.439 124 L HA 0.616 4.955 4.340 -0.000 0.000 0.259 124 L C -1.673 174.823 176.870 -0.624 0.000 1.129 124 L CA -1.930 52.314 54.840 -0.993 0.000 0.803 124 L CB 0.313 41.313 42.059 -1.764 0.000 1.161 124 L HN -0.105 nan 8.230 nan 0.000 0.462 125 P HA 0.098 nan 4.420 nan 0.000 0.268 125 P C 0.111 177.421 177.300 0.018 0.000 1.204 125 P CA -0.182 62.837 63.100 -0.136 0.000 0.768 125 P CB 0.469 32.111 31.700 -0.096 0.000 0.842 126 K N 1.487 121.942 120.400 0.093 0.000 2.107 126 K HA -0.206 4.114 4.320 -0.000 0.000 0.211 126 K C 1.940 178.630 176.600 0.151 0.000 1.049 126 K CA 2.284 58.667 56.287 0.161 0.000 0.927 126 K CB -0.475 32.079 32.500 0.089 0.000 0.714 126 K HN 0.604 nan 8.250 nan 0.000 0.452 127 S N 0.844 116.597 115.700 0.088 0.000 2.465 127 S HA -0.135 4.335 4.470 -0.000 0.000 0.241 127 S C 1.500 176.161 174.600 0.101 0.000 1.000 127 S CA 1.092 59.333 58.200 0.069 0.000 0.964 127 S CB -0.099 63.120 63.200 0.032 0.000 0.763 127 S HN 0.241 nan 8.310 nan 0.000 0.512 128 K N 0.402 120.902 120.400 0.168 0.000 2.444 128 K HA 0.298 4.618 4.320 -0.000 0.000 0.193 128 K C -0.040 176.728 176.600 0.280 0.000 1.024 128 K CA 0.014 56.438 56.287 0.229 0.000 1.077 128 K CB -0.032 32.632 32.500 0.273 0.000 0.833 128 K HN 0.491 nan 8.250 nan 0.000 0.517 129 I N 2.301 123.013 120.570 0.237 0.000 2.436 129 I HA -0.061 4.109 4.170 -0.000 0.000 0.289 129 I C 1.536 177.707 176.117 0.090 0.000 1.083 129 I CA 0.075 61.456 61.300 0.135 0.000 1.372 129 I CB 1.234 39.290 38.000 0.092 0.000 1.408 129 I HN 0.127 nan 8.210 nan 0.000 0.516 130 T N 1.143 115.761 114.554 0.107 0.000 3.037 130 T HA 0.128 4.477 4.350 -0.000 0.000 0.252 130 T C 0.387 174.977 174.700 -0.183 0.000 1.073 130 T CA 0.360 62.468 62.100 0.014 0.000 1.091 130 T CB -0.020 68.913 68.868 0.109 0.000 0.935 130 T HN 0.527 nan 8.240 nan 0.000 0.488 131 H N -0.254 118.860 119.070 0.074 0.000 2.771 131 H HA 0.676 5.232 4.556 -0.000 0.000 0.361 131 H C -1.389 174.004 175.328 0.109 0.000 1.108 131 H CA -0.877 55.254 56.048 0.138 0.000 1.201 131 H CB 1.895 31.759 29.762 0.170 0.000 1.681 131 H HN 0.086 nan 8.280 nan 0.000 0.534 132 L N 4.210 125.591 121.223 0.262 0.000 2.349 132 L HA 0.524 4.864 4.340 -0.000 0.000 0.278 132 L C -1.102 175.935 176.870 0.279 0.000 0.996 132 L CA -0.770 54.184 54.840 0.191 0.000 0.825 132 L CB 0.766 42.905 42.059 0.133 0.000 1.243 132 L HN 0.651 nan 8.230 nan 0.000 0.412 133 I N 4.857 125.537 120.570 0.183 0.000 2.312 133 I HA 0.234 4.404 4.170 -0.000 0.000 0.290 133 I C -0.754 175.417 176.117 0.090 0.000 1.008 133 I CA -0.269 61.130 61.300 0.164 0.000 1.226 133 I CB 1.330 39.357 38.000 0.045 0.000 1.371 133 I HN 0.405 nan 8.210 nan 0.000 0.468 134 F N 7.236 127.191 119.950 0.009 0.000 2.404 134 F HA 0.512 5.039 4.527 -0.000 0.000 0.354 134 F C -0.162 175.596 175.800 -0.069 0.000 1.122 134 F CA -0.566 57.409 58.000 -0.041 0.000 1.080 134 F CB 1.020 39.974 39.000 -0.076 0.000 1.131 134 F HN 0.459 nan 8.300 nan 0.000 0.471 135 C N 5.702 124.919 119.300 -0.138 0.000 2.408 135 C HA 0.865 5.325 4.460 -0.000 0.000 0.321 135 C C -0.451 174.566 174.990 0.045 0.000 1.245 135 C CA 0.035 59.053 59.018 -0.000 0.000 1.523 135 C CB 0.671 28.383 27.740 -0.046 0.000 2.178 135 C HN 0.995 nan 8.230 nan 0.000 0.488 136 T N 2.218 116.872 114.554 0.166 0.000 2.792 136 T HA 0.569 4.919 4.350 -0.000 0.000 0.303 136 T C 0.282 175.095 174.700 0.189 0.000 1.310 136 T CA -0.093 62.128 62.100 0.202 0.000 1.007 136 T CB 1.716 70.790 68.868 0.343 0.000 1.335 136 T HN 0.651 nan 8.240 nan 0.000 0.504 137 T N 1.141 115.781 114.554 0.144 0.000 3.043 137 T HA 0.498 4.848 4.350 -0.000 0.000 0.272 137 T C 0.161 174.912 174.700 0.084 0.000 0.990 137 T CA 0.169 62.330 62.100 0.101 0.000 0.897 137 T CB 0.523 69.411 68.868 0.033 0.000 1.111 137 T HN 0.781 nan 8.240 nan 0.000 0.529 138 A N 1.578 124.467 122.820 0.115 0.000 2.328 138 A HA 0.763 5.083 4.320 -0.000 0.000 0.318 138 A C 0.742 178.376 177.584 0.083 0.000 1.347 138 A CA -0.126 51.957 52.037 0.076 0.000 0.842 138 A CB -0.373 18.666 19.000 0.064 0.000 1.148 138 A HN 0.706 nan 8.150 nan 0.000 0.499 139 G N 0.099 108.912 108.800 0.022 0.000 2.781 139 G HA2 0.333 4.293 3.960 -0.000 0.000 0.683 139 G HA3 0.333 4.293 3.960 -0.000 0.000 0.683 139 G C -0.268 174.510 174.900 -0.203 0.000 1.390 139 G CA 0.069 45.141 45.100 -0.046 0.000 0.850 139 G HN 2.418 nan 8.290 nan 0.000 0.557 140 V N -2.561 117.138 119.914 -0.359 0.000 3.147 140 V HA 0.979 5.099 4.120 -0.000 0.000 0.306 140 V C -0.733 175.158 176.094 -0.339 0.000 1.209 140 V CA -0.022 61.792 62.300 -0.809 0.000 1.023 140 V CB 2.199 33.452 31.823 -0.950 0.000 1.059 140 V HN 1.575 nan 8.190 nan 0.000 0.435 141 D N 1.738 122.007 120.400 -0.219 0.000 2.623 141 D HA 0.660 5.300 4.640 -0.000 0.000 0.241 141 D C -1.214 175.100 176.300 0.023 0.000 1.241 141 D CA -0.435 53.537 54.000 -0.046 0.000 0.788 141 D CB 2.195 43.001 40.800 0.009 0.000 1.413 141 D HN 0.845 nan 8.370 nan 0.000 0.429 142 M N 2.338 121.937 119.600 -0.001 0.000 2.197 142 M HA 0.457 4.937 4.480 -0.000 0.000 0.301 142 M C -2.243 174.027 176.300 -0.049 0.000 0.987 142 M CA -1.665 53.632 55.300 -0.004 0.000 0.921 142 M CB 1.522 34.114 32.600 -0.013 0.000 1.569 142 M HN 0.167 nan 8.290 nan 0.000 0.431 143 P HA 0.304 nan 4.420 nan 0.000 0.272 143 P C 0.257 177.583 177.300 0.043 0.000 1.230 143 P CA -0.237 62.805 63.100 -0.097 0.000 0.788 143 P CB 0.436 31.902 31.700 -0.389 0.000 0.949 144 G N -0.162 108.689 108.800 0.084 0.000 2.621 144 G HA2 0.355 4.315 3.960 -0.000 0.000 0.271 144 G HA3 0.355 4.315 3.960 -0.000 0.000 0.271 144 G C 1.001 175.896 174.900 -0.008 0.000 1.236 144 G CA -0.116 45.057 45.100 0.121 0.000 0.958 144 G HN 0.520 nan 8.290 nan 0.000 0.512 145 A N -0.329 122.383 122.820 -0.181 0.000 2.076 145 A HA -0.088 4.232 4.320 -0.000 0.000 0.220 145 A C 2.023 179.155 177.584 -0.753 0.000 1.160 145 A CA 2.196 53.889 52.037 -0.572 0.000 0.653 145 A CB -0.456 17.945 19.000 -0.997 0.000 0.801 145 A HN 0.737 nan 8.150 nan 0.000 0.455 146 D N -1.219 118.892 120.400 -0.481 0.000 2.097 146 D HA -0.249 4.391 4.640 -0.000 0.000 0.197 146 D C 1.842 178.097 176.300 -0.074 0.000 0.984 146 D CA 1.602 55.486 54.000 -0.193 0.000 0.826 146 D CB -0.909 39.857 40.800 -0.055 0.000 0.973 146 D HN 0.552 nan 8.370 nan 0.000 0.460 147 Y N 1.678 121.901 120.300 -0.129 0.000 2.097 147 Y HA -0.235 4.315 4.550 -0.000 0.000 0.282 147 Y C 2.513 178.371 175.900 -0.070 0.000 1.152 147 Y CA 2.196 60.251 58.100 -0.076 0.000 1.136 147 Y CB -0.391 38.033 38.460 -0.059 0.000 0.975 147 Y HN -0.160 nan 8.280 nan 0.000 0.498 148 Q N 0.385 120.086 119.800 -0.164 0.000 2.112 148 Q HA -0.221 4.119 4.340 -0.000 0.000 0.206 148 Q C 2.442 178.308 176.000 -0.222 0.000 0.987 148 Q CA 1.625 57.293 55.803 -0.225 0.000 0.858 148 Q CB -0.901 27.786 28.738 -0.085 0.000 0.905 148 Q HN 0.547 nan 8.270 nan 0.000 0.420 149 L N 0.862 121.990 121.223 -0.158 0.000 2.017 149 L HA -0.130 4.210 4.340 -0.000 0.000 0.208 149 L C 2.393 179.225 176.870 -0.063 0.000 1.073 149 L CA 1.742 56.562 54.840 -0.032 0.000 0.745 149 L CB -0.656 41.483 42.059 0.133 0.000 0.894 149 L HN 0.217 nan 8.230 nan 0.000 0.432 150 V N -0.672 119.172 119.914 -0.116 0.000 2.759 150 V HA -0.244 3.876 4.120 -0.000 0.000 0.256 150 V C 2.522 178.523 176.094 -0.154 0.000 1.080 150 V CA 2.004 64.243 62.300 -0.101 0.000 1.101 150 V CB -0.546 31.228 31.823 -0.081 0.000 0.698 150 V HN 0.586 nan 8.190 nan 0.000 0.477 151 K N -0.302 119.932 120.400 -0.277 0.000 2.044 151 K HA -0.044 4.276 4.320 -0.000 0.000 0.204 151 K C 2.027 178.548 176.600 -0.131 0.000 1.049 151 K CA 1.708 57.845 56.287 -0.250 0.000 0.945 151 K CB -0.431 31.816 32.500 -0.423 0.000 0.724 151 K HN 0.373 nan 8.250 nan 0.000 0.440 152 L N 1.391 122.549 121.223 -0.108 0.000 2.042 152 L HA -0.099 4.241 4.340 -0.000 0.000 0.210 152 L C 2.152 179.007 176.870 -0.026 0.000 1.076 152 L CA 1.649 56.459 54.840 -0.049 0.000 0.749 152 L CB -0.670 41.374 42.059 -0.024 0.000 0.893 152 L HN 0.301 nan 8.230 nan 0.000 0.432 153 L N -1.429 119.781 121.223 -0.022 0.000 2.529 153 L HA 0.194 4.534 4.340 -0.000 0.000 0.223 153 L C 1.238 178.106 176.870 -0.004 0.000 1.113 153 L CA 0.490 55.330 54.840 0.000 0.000 0.861 153 L CB -0.337 41.733 42.059 0.018 0.000 1.012 153 L HN 0.484 nan 8.230 nan 0.000 0.461 154 G N 1.255 110.041 108.800 -0.024 0.000 2.272 154 G HA2 -0.264 3.696 3.960 -0.000 0.000 0.280 154 G HA3 -0.264 3.696 3.960 -0.000 0.000 0.280 154 G C 0.223 175.121 174.900 -0.005 0.000 1.067 154 G CA -0.101 44.988 45.100 -0.018 0.000 0.902 154 G HN 0.195 nan 8.290 nan 0.000 0.500 155 L N 0.049 121.267 121.223 -0.008 0.000 2.476 155 L HA 0.364 4.704 4.340 -0.000 0.000 0.264 155 L C 1.614 178.485 176.870 0.001 0.000 1.224 155 L CA 0.217 55.062 54.840 0.009 0.000 0.821 155 L CB 0.728 42.793 42.059 0.010 0.000 1.101 155 L HN 0.391 nan 8.230 nan 0.000 0.488 156 S N 1.402 117.108 115.700 0.011 0.000 2.537 156 S HA 0.072 4.542 4.470 -0.000 0.000 0.286 156 S C -1.488 173.110 174.600 -0.004 0.000 1.299 156 S CA -1.073 57.130 58.200 0.004 0.000 1.067 156 S CB 0.773 63.977 63.200 0.007 0.000 0.864 156 S HN 0.352 nan 8.310 nan 0.000 0.494 157 P HA -0.042 nan 4.420 nan 0.000 0.218 157 P C 0.693 177.992 177.300 -0.001 0.000 1.146 157 P CA 1.041 64.144 63.100 0.005 0.000 0.813 157 P CB 0.034 31.740 31.700 0.011 0.000 0.778 158 S N -1.186 114.507 115.700 -0.012 0.000 2.597 158 S HA 0.092 4.562 4.470 -0.000 0.000 0.224 158 S C 0.669 175.237 174.600 -0.052 0.000 0.955 158 S CA -0.371 57.813 58.200 -0.027 0.000 0.933 158 S CB -0.548 62.638 63.200 -0.023 0.000 0.788 158 S HN -0.026 nan 8.310 nan 0.000 0.488 159 V N 2.712 122.599 119.914 -0.045 0.000 2.763 159 V HA 0.099 4.218 4.120 -0.000 0.000 0.306 159 V C 0.048 176.081 176.094 -0.102 0.000 1.059 159 V CA 0.139 62.398 62.300 -0.068 0.000 1.138 159 V CB 0.539 32.348 31.823 -0.023 0.000 0.940 159 V HN 0.258 nan 8.190 nan 0.000 0.489 160 K N 6.702 126.997 120.400 -0.176 0.000 2.285 160 K HA 0.422 4.742 4.320 -0.000 0.000 0.286 160 K C -0.308 176.191 176.600 -0.169 0.000 1.072 160 K CA -0.113 56.061 56.287 -0.189 0.000 0.913 160 K CB 0.724 33.093 32.500 -0.218 0.000 1.067 160 K HN 0.641 nan 8.250 nan 0.000 0.479 161 R N 2.322 122.624 120.500 -0.329 0.000 2.604 161 R HA 0.345 4.685 4.340 -0.000 0.000 0.287 161 R C -0.971 174.917 176.300 -0.688 0.000 0.970 161 R CA -0.761 55.168 56.100 -0.285 0.000 0.946 161 R CB 1.054 31.282 30.300 -0.120 0.000 1.127 161 R HN 0.463 nan 8.270 nan 0.000 0.473 162 Y N 1.699 122.028 120.300 0.047 0.000 2.488 162 Y HA 0.281 4.831 4.550 -0.000 0.000 0.330 162 Y C -0.340 175.570 175.900 0.016 0.000 1.013 162 Y CA -0.858 57.261 58.100 0.032 0.000 1.304 162 Y CB 1.455 39.935 38.460 0.033 0.000 1.098 162 Y HN 0.356 nan 8.280 nan 0.000 0.498 163 M N 4.550 124.175 119.600 0.042 0.000 2.111 163 M HA 0.426 4.906 4.480 -0.000 0.000 0.351 163 M C -1.881 174.372 176.300 -0.079 0.000 1.214 163 M CA -0.709 54.547 55.300 -0.073 0.000 1.120 163 M CB 0.124 32.620 32.600 -0.173 0.000 1.443 163 M HN 0.453 nan 8.290 nan 0.000 0.429 164 L N 7.063 128.253 121.223 -0.054 0.000 2.288 164 L HA 0.384 4.724 4.340 -0.000 0.000 0.283 164 L C -1.167 175.698 176.870 -0.008 0.000 1.072 164 L CA 0.047 54.891 54.840 0.007 0.000 0.862 164 L CB -0.632 41.453 42.059 0.043 0.000 1.245 164 L HN 0.524 nan 8.230 nan 0.000 0.432 165 Y N 1.433 121.790 120.300 0.096 0.000 2.453 165 Y HA 0.343 4.893 4.550 -0.000 0.000 0.326 165 Y C 1.023 176.961 175.900 0.064 0.000 1.186 165 Y CA -1.016 57.133 58.100 0.082 0.000 1.200 165 Y CB 1.000 39.496 38.460 0.061 0.000 1.247 165 Y HN 0.518 nan 8.280 nan 0.000 0.482 166 Q N 0.809 120.777 119.800 0.281 0.000 2.435 166 Q HA -0.244 4.095 4.340 -0.000 0.000 0.312 166 Q C 0.528 176.595 176.000 0.111 0.000 1.333 166 Q CA 0.645 56.537 55.803 0.147 0.000 0.883 166 Q CB -0.613 28.190 28.738 0.109 0.000 1.170 166 Q HN 0.728 nan 8.270 nan 0.000 0.443 167 Q N -1.017 118.846 119.800 0.104 0.000 2.134 167 Q HA 0.298 4.638 4.340 -0.000 0.000 0.195 167 Q C 1.220 177.246 176.000 0.043 0.000 0.958 167 Q CA 1.350 57.194 55.803 0.069 0.000 0.840 167 Q CB 0.241 29.014 28.738 0.058 0.000 0.918 167 Q HN 0.683 nan 8.270 nan 0.000 0.467 171 A N 0.242 123.009 122.820 -0.089 0.000 2.206 171 A HA 0.387 4.706 4.320 -0.000 0.000 0.211 171 A C 2.039 179.587 177.584 -0.060 0.000 1.158 171 A CA 1.755 53.760 52.037 -0.054 0.000 0.761 171 A CB -0.779 18.208 19.000 -0.022 0.000 0.801 171 A HN 1.227 nan 8.150 nan 0.000 0.473 172 G N -0.158 108.600 108.800 -0.071 0.000 2.432 172 G HA2 0.009 3.969 3.960 -0.000 0.000 0.219 172 G HA3 0.009 3.969 3.960 -0.000 0.000 0.219 172 G C 1.364 176.222 174.900 -0.071 0.000 1.135 172 G CA 1.149 46.217 45.100 -0.053 0.000 0.767 172 G HN 0.609 nan 8.290 nan 0.000 0.550 173 G N -0.088 108.659 108.800 -0.089 0.000 2.453 173 G HA2 -0.014 3.946 3.960 -0.000 0.000 0.215 173 G HA3 -0.014 3.946 3.960 -0.000 0.000 0.215 173 G C 1.784 176.636 174.900 -0.080 0.000 1.147 173 G CA 1.442 46.486 45.100 -0.094 0.000 0.802 173 G HN 0.340 nan 8.290 nan 0.000 0.535 174 T N 1.616 116.129 114.554 -0.068 0.000 2.652 174 T HA -0.205 4.145 4.350 -0.000 0.000 0.267 174 T C 2.733 177.393 174.700 -0.068 0.000 1.039 174 T CA 2.243 64.309 62.100 -0.057 0.000 1.153 174 T CB -0.643 68.202 68.868 -0.037 0.000 0.863 174 T HN 0.325 nan 8.240 nan 0.000 0.428 175 V N 0.729 120.602 119.914 -0.068 0.000 2.392 175 V HA -0.123 3.997 4.120 -0.000 0.000 0.249 175 V C 2.320 178.356 176.094 -0.097 0.000 1.059 175 V CA 1.554 63.805 62.300 -0.081 0.000 1.051 175 V CB -1.292 30.484 31.823 -0.078 0.000 0.658 175 V HN 0.444 nan 8.190 nan 0.000 0.455 176 L N 0.166 121.334 121.223 -0.092 0.000 2.056 176 L HA -0.111 4.229 4.340 -0.000 0.000 0.207 176 L C 3.020 179.828 176.870 -0.103 0.000 1.078 176 L CA 2.347 57.128 54.840 -0.098 0.000 0.749 176 L CB -0.717 41.284 42.059 -0.097 0.000 0.901 176 L HN 0.350 nan 8.230 nan 0.000 0.433 177 R N 0.530 120.972 120.500 -0.096 0.000 2.081 177 R HA -0.220 4.120 4.340 -0.000 0.000 0.235 177 R C 2.312 178.547 176.300 -0.109 0.000 1.131 177 R CA 1.625 57.669 56.100 -0.093 0.000 0.960 177 R CB -0.299 29.955 30.300 -0.076 0.000 0.856 177 R HN 0.230 nan 8.270 nan 0.000 0.436 178 L N 0.664 121.812 121.223 -0.124 0.000 2.072 178 L HA 0.086 4.426 4.340 -0.000 0.000 0.205 178 L C 2.339 179.076 176.870 -0.223 0.000 1.079 178 L CA 2.032 56.767 54.840 -0.175 0.000 0.752 178 L CB -0.713 41.233 42.059 -0.189 0.000 0.906 178 L HN 0.259 nan 8.230 nan 0.000 0.436 179 A N -0.182 122.522 122.820 -0.194 0.000 1.908 179 A HA -0.314 4.005 4.320 -0.000 0.000 0.218 179 A C 2.437 179.913 177.584 -0.180 0.000 1.181 179 A CA 2.158 54.077 52.037 -0.197 0.000 0.627 179 A CB -0.721 18.189 19.000 -0.151 0.000 0.818 179 A HN 0.555 nan 8.150 nan 0.000 0.445 180 K N -0.548 119.765 120.400 -0.144 0.000 2.044 180 K HA -0.232 4.088 4.320 -0.000 0.000 0.210 180 K C 1.349 177.872 176.600 -0.128 0.000 1.049 180 K CA 1.985 58.199 56.287 -0.121 0.000 0.927 180 K CB -0.220 32.221 32.500 -0.099 0.000 0.713 180 K HN 0.413 nan 8.250 nan 0.000 0.443 181 D N 0.425 120.741 120.400 -0.140 0.000 2.194 181 D HA -0.079 4.560 4.640 -0.000 0.000 0.204 181 D C 2.028 178.228 176.300 -0.168 0.000 0.964 181 D CA 0.862 54.785 54.000 -0.130 0.000 0.846 181 D CB 0.020 40.752 40.800 -0.113 0.000 0.962 181 D HN 0.258 nan 8.370 nan 0.000 0.490 182 L N 0.801 121.874 121.223 -0.251 0.000 2.017 182 L HA -0.118 4.222 4.340 -0.000 0.000 0.208 182 L C 2.614 179.291 176.870 -0.323 0.000 1.073 182 L CA 1.229 55.855 54.840 -0.357 0.000 0.745 182 L CB -0.507 41.217 42.059 -0.560 0.000 0.894 182 L HN -0.050 nan 8.230 nan 0.000 0.432 183 A N -0.088 122.578 122.820 -0.255 0.000 1.898 183 A HA -0.200 4.120 4.320 -0.000 0.000 0.216 183 A C 2.184 179.701 177.584 -0.111 0.000 1.181 183 A CA 1.627 53.560 52.037 -0.173 0.000 0.620 183 A CB -0.406 18.511 19.000 -0.139 0.000 0.819 183 A HN 0.436 nan 8.150 nan 0.000 0.442 184 E N -0.978 119.160 120.200 -0.103 0.000 2.285 184 E HA -0.109 4.241 4.350 -0.000 0.000 0.194 184 E C 1.439 178.006 176.600 -0.055 0.000 0.997 184 E CA 0.816 57.174 56.400 -0.069 0.000 0.845 184 E CB -0.050 29.611 29.700 -0.064 0.000 0.782 184 E HN 0.628 nan 8.360 nan 0.000 0.491 185 N N 0.306 118.966 118.700 -0.066 0.000 2.353 185 N HA -0.002 4.738 4.740 -0.000 0.000 0.185 185 N C -0.661 174.840 175.510 -0.015 0.000 1.098 185 N CA 0.194 53.222 53.050 -0.037 0.000 0.872 185 N CB 0.508 38.974 38.487 -0.036 0.000 0.970 185 N HN -0.047 nan 8.380 nan 0.000 0.467 186 N N 1.201 119.887 118.700 -0.023 0.000 2.564 186 N HA 0.034 4.774 4.740 -0.000 0.000 0.248 186 N C -1.150 174.384 175.510 0.039 0.000 0.986 186 N CA -0.367 52.701 53.050 0.030 0.000 0.921 186 N CB 1.290 39.819 38.487 0.069 0.000 1.136 186 N HN 0.055 nan 8.380 nan 0.000 0.509 187 K N 0.779 121.205 120.400 0.043 0.000 2.473 187 K HA -0.074 4.245 4.320 -0.000 0.000 0.277 187 K C 1.014 177.658 176.600 0.073 0.000 1.052 187 K CA 0.889 57.203 56.287 0.046 0.000 1.114 187 K CB -0.030 32.496 32.500 0.044 0.000 0.869 187 K HN 0.893 nan 8.250 nan 0.000 0.481 188 G N 2.798 111.645 108.800 0.078 0.000 2.155 188 G HA2 -0.307 3.653 3.960 -0.000 0.000 0.257 188 G HA3 -0.307 3.653 3.960 -0.000 0.000 0.257 188 G C 0.115 175.101 174.900 0.143 0.000 0.983 188 G CA 0.736 45.915 45.100 0.131 0.000 0.676 188 G HN 0.765 nan 8.290 nan 0.000 0.528 189 S N -0.290 115.481 115.700 0.118 0.000 2.592 189 S HA 0.758 5.228 4.470 -0.000 0.000 0.271 189 S C 0.206 174.874 174.600 0.112 0.000 1.326 189 S CA -0.456 57.839 58.200 0.157 0.000 1.024 189 S CB 1.899 65.202 63.200 0.171 0.000 0.921 189 S HN 0.413 nan 8.310 nan 0.000 0.527 190 R N 1.498 122.079 120.500 0.136 0.000 2.476 190 R HA 0.479 4.819 4.340 -0.000 0.000 0.305 190 R C -1.470 174.824 176.300 -0.010 0.000 0.965 190 R CA -0.615 55.490 56.100 0.009 0.000 0.867 190 R CB 1.783 32.082 30.300 -0.002 0.000 1.176 190 R HN 0.595 nan 8.270 nan 0.000 0.447 191 V N 4.434 124.294 119.914 -0.091 0.000 2.439 191 V HA 0.335 4.455 4.120 -0.000 0.000 0.282 191 V C -0.061 175.955 176.094 -0.130 0.000 1.039 191 V CA -0.900 61.366 62.300 -0.057 0.000 0.913 191 V CB 1.606 33.366 31.823 -0.106 0.000 0.983 191 V HN 0.486 nan 8.190 nan 0.000 0.460 192 L N 6.894 128.076 121.223 -0.068 0.000 2.272 192 L HA 0.599 4.939 4.340 -0.000 0.000 0.289 192 L C -0.443 176.390 176.870 -0.062 0.000 1.032 192 L CA 0.260 55.042 54.840 -0.096 0.000 0.810 192 L CB 0.864 42.887 42.059 -0.061 0.000 1.205 192 L HN 0.532 nan 8.230 nan 0.000 0.422 193 I N 6.016 126.524 120.570 -0.103 0.000 2.321 193 I HA 0.399 4.569 4.170 -0.000 0.000 0.291 193 I C -0.783 175.237 176.117 -0.160 0.000 0.998 193 I CA -0.630 60.601 61.300 -0.114 0.000 1.227 193 I CB 1.491 39.422 38.000 -0.116 0.000 1.368 193 I HN 0.291 nan 8.210 nan 0.000 0.466 194 V N 6.036 125.802 119.914 -0.247 0.000 2.483 194 V HA 0.295 4.415 4.120 -0.000 0.000 0.297 194 V C -0.538 175.225 176.094 -0.552 0.000 1.027 194 V CA -0.551 61.502 62.300 -0.412 0.000 0.855 194 V CB 1.690 33.173 31.823 -0.565 0.000 0.995 194 V HN 0.783 nan 8.190 nan 0.000 0.424 195 C N 3.837 122.934 119.300 -0.339 0.000 2.264 195 C HA 0.739 5.198 4.460 -0.000 0.000 0.324 195 C C 0.592 175.474 174.990 -0.181 0.000 1.267 195 C CA -0.362 58.508 59.018 -0.247 0.000 1.618 195 C CB 0.516 28.198 27.740 -0.096 0.000 2.278 195 C HN 0.875 nan 8.230 nan 0.000 0.499 196 S N 3.347 118.950 115.700 -0.162 0.000 2.557 196 S HA 0.603 5.072 4.470 -0.000 0.000 0.291 196 S C -1.192 173.456 174.600 0.079 0.000 1.116 196 S CA -0.362 57.836 58.200 -0.003 0.000 0.992 196 S CB 0.729 63.959 63.200 0.050 0.000 1.028 196 S HN 0.749 nan 8.310 nan 0.000 0.484 197 E N 3.838 124.078 120.200 0.067 0.000 2.256 197 E HA 0.472 4.822 4.350 -0.000 0.000 0.268 197 E C -1.124 175.513 176.600 0.061 0.000 0.877 197 E CA -0.470 55.969 56.400 0.064 0.000 0.757 197 E CB 2.069 31.791 29.700 0.038 0.000 1.183 197 E HN 0.654 nan 8.360 nan 0.000 0.418 198 I N 1.676 122.281 120.570 0.057 0.000 2.439 198 I HA 0.080 4.250 4.170 -0.000 0.000 0.285 198 I C 1.272 177.406 176.117 0.029 0.000 1.021 198 I CA -0.381 60.946 61.300 0.046 0.000 1.091 198 I CB 1.872 39.895 38.000 0.038 0.000 1.242 198 I HN 0.496 nan 8.210 nan 0.000 0.439 199 T N 1.412 115.989 114.554 0.038 0.000 3.163 199 T HA 0.016 4.366 4.350 -0.000 0.000 0.260 199 T C 1.625 176.360 174.700 0.058 0.000 1.156 199 T CA 0.650 62.766 62.100 0.027 0.000 1.072 199 T CB 0.111 69.030 68.868 0.084 0.000 0.937 199 T HN 0.642 nan 8.240 nan 0.000 0.528 200 A N 2.237 125.088 122.820 0.051 0.000 2.019 200 A HA 0.054 4.374 4.320 -0.000 0.000 0.219 200 A C 2.100 179.714 177.584 0.051 0.000 1.164 200 A CA 1.425 53.496 52.037 0.057 0.000 0.644 200 A CB -0.809 18.186 19.000 -0.010 0.000 0.805 200 A HN 0.720 nan 8.150 nan 0.000 0.449 201 I N -1.104 119.478 120.570 0.021 0.000 2.567 201 I HA -0.125 4.045 4.170 -0.000 0.000 0.257 201 I C 1.945 178.052 176.117 -0.017 0.000 1.184 201 I CA 1.291 62.599 61.300 0.013 0.000 1.451 201 I CB -0.538 37.471 38.000 0.014 0.000 1.089 201 I HN 0.390 nan 8.210 nan 0.000 0.441 202 L N -1.184 120.020 121.223 -0.031 0.000 2.640 202 L HA 0.388 4.728 4.340 -0.000 0.000 0.230 202 L C 0.672 177.435 176.870 -0.179 0.000 1.123 202 L CA -0.377 54.426 54.840 -0.062 0.000 0.900 202 L CB 0.074 42.082 42.059 -0.086 0.000 1.146 202 L HN 0.043 nan 8.230 nan 0.000 0.484 203 F N 2.662 122.464 119.950 -0.246 0.000 2.572 203 F HA 0.260 4.787 4.527 -0.000 0.000 0.370 203 F C -0.022 175.490 175.800 -0.480 0.000 1.103 203 F CA 0.448 58.344 58.000 -0.172 0.000 1.286 203 F CB 0.175 39.163 39.000 -0.020 0.000 1.105 203 F HN 0.145 nan 8.300 nan 0.000 0.583 204 H N 3.062 121.760 119.070 -0.621 0.000 3.012 204 H HA 0.340 4.896 4.556 -0.000 0.000 0.367 204 H C 0.032 175.053 175.328 -0.512 0.000 1.211 204 H CA -0.560 55.259 56.048 -0.382 0.000 1.139 204 H CB 1.163 30.845 29.762 -0.133 0.000 1.838 204 H HN 0.803 nan 8.280 nan 0.000 0.550 205 G N 1.250 109.994 108.800 -0.093 0.000 2.606 205 G HA2 0.296 4.255 3.960 -0.000 0.000 0.252 205 G HA3 0.296 4.255 3.960 -0.000 0.000 0.252 205 G C -2.468 172.512 174.900 0.134 0.000 1.206 205 G CA -0.988 44.098 45.100 -0.024 0.000 0.861 205 G HN 0.276 nan 8.290 nan 0.000 0.561 206 P HA 0.161 nan 4.420 nan 0.000 0.285 206 P C -0.859 176.091 177.300 -0.583 0.000 1.259 206 P CA -0.395 62.525 63.100 -0.300 0.000 0.794 206 P CB 1.347 32.724 31.700 -0.538 0.000 0.940 207 N N 1.354 119.858 118.700 -0.326 0.000 2.264 207 N HA 0.059 4.799 4.740 -0.000 0.000 0.288 207 N C 0.919 176.393 175.510 -0.060 0.000 1.094 207 N CA -0.461 52.401 53.050 -0.313 0.000 0.817 207 N CB 2.019 40.441 38.487 -0.108 0.000 1.604 207 N HN 0.289 nan 8.380 nan 0.000 0.473 208 E N 2.655 122.810 120.200 -0.076 0.000 2.090 208 E HA -0.369 3.981 4.350 -0.000 0.000 0.242 208 E C 0.735 177.302 176.600 -0.056 0.000 0.988 208 E CA 2.383 58.754 56.400 -0.049 0.000 0.921 208 E CB -0.603 29.067 29.700 -0.049 0.000 0.848 208 E HN 0.809 nan 8.360 nan 0.000 0.553 209 N N 0.361 118.969 118.700 -0.153 0.000 2.362 209 N HA -0.040 4.700 4.740 -0.000 0.000 0.204 209 N C -0.487 174.830 175.510 -0.322 0.000 1.166 209 N CA -0.111 52.804 53.050 -0.225 0.000 0.831 209 N CB -0.040 38.301 38.487 -0.244 0.000 1.008 209 N HN 0.260 nan 8.380 nan 0.000 0.472 210 H N 0.125 119.180 119.070 -0.025 0.000 2.638 210 H HA 0.220 4.776 4.556 -0.000 0.000 0.242 210 H C 0.222 175.553 175.328 0.004 0.000 1.610 210 H CA -0.609 55.431 56.048 -0.014 0.000 1.275 210 H CB 1.020 30.765 29.762 -0.029 0.000 1.583 210 H HN 0.135 nan 8.280 nan 0.000 0.556 211 L N 0.787 122.059 121.223 0.082 0.000 2.298 211 L HA 0.014 4.354 4.340 -0.000 0.000 0.209 211 L C 1.282 178.230 176.870 0.130 0.000 1.084 211 L CA 1.118 56.011 54.840 0.088 0.000 0.816 211 L CB 0.071 42.160 42.059 0.049 0.000 0.967 211 L HN 0.558 nan 8.230 nan 0.000 0.460 212 D N -1.932 118.548 120.400 0.133 0.000 2.117 212 D HA -0.224 4.416 4.640 -0.000 0.000 0.197 212 D C 2.217 178.748 176.300 0.386 0.000 0.987 212 D CA 1.326 55.454 54.000 0.213 0.000 0.829 212 D CB -0.551 40.307 40.800 0.097 0.000 0.961 212 D HN 0.184 nan 8.370 nan 0.000 0.460 213 S N -0.293 115.581 115.700 0.290 0.000 2.383 213 S HA -0.157 4.313 4.470 -0.000 0.000 0.229 213 S C 1.790 176.498 174.600 0.180 0.000 1.030 213 S CA 0.638 59.006 58.200 0.281 0.000 1.002 213 S CB -0.368 62.900 63.200 0.113 0.000 0.829 213 S HN 0.263 nan 8.310 nan 0.000 0.467 214 L N 1.452 122.748 121.223 0.121 0.000 2.093 214 L HA 0.083 4.423 4.340 -0.000 0.000 0.208 214 L C 2.272 179.215 176.870 0.122 0.000 1.085 214 L CA 1.395 56.248 54.840 0.022 0.000 0.755 214 L CB -0.525 41.545 42.059 0.018 0.000 0.904 214 L HN 0.226 nan 8.230 nan 0.000 0.435 215 V N -0.018 120.011 119.914 0.192 0.000 2.490 215 V HA -0.261 3.859 4.120 -0.000 0.000 0.250 215 V C 2.729 178.878 176.094 0.091 0.000 1.061 215 V CA 1.446 63.858 62.300 0.187 0.000 1.064 215 V CB -1.222 30.714 31.823 0.187 0.000 0.670 215 V HN 0.595 nan 8.190 nan 0.000 0.461 216 A N -0.667 122.183 122.820 0.051 0.000 1.969 216 A HA -0.188 4.132 4.320 -0.000 0.000 0.218 216 A C 2.108 179.706 177.584 0.023 0.000 1.169 216 A CA 1.144 53.104 52.037 -0.129 0.000 0.635 216 A CB -0.333 18.415 19.000 -0.420 0.000 0.810 216 A HN 0.515 nan 8.150 nan 0.000 0.445 217 Q N -0.496 119.321 119.800 0.028 0.000 2.364 217 Q HA 0.011 4.351 4.340 -0.000 0.000 0.207 217 Q C 1.834 177.929 176.000 0.159 0.000 0.970 217 Q CA 1.324 57.136 55.803 0.015 0.000 0.888 217 Q CB -0.585 27.888 28.738 -0.442 0.000 0.951 217 Q HN 0.691 nan 8.270 nan 0.000 0.469 218 A N -0.831 122.083 122.820 0.157 0.000 2.252 218 A HA 0.212 4.532 4.320 -0.000 0.000 0.213 218 A C 1.842 179.288 177.584 -0.230 0.000 1.188 218 A CA -0.048 51.955 52.037 -0.057 0.000 0.863 218 A CB 0.160 19.080 19.000 -0.133 0.000 0.893 218 A HN 0.241 nan 8.150 nan 0.000 0.495 219 L N -1.756 119.292 121.223 -0.292 0.000 2.286 219 L HA 0.284 4.623 4.340 -0.000 0.000 0.203 219 L C -0.151 176.381 176.870 -0.563 0.000 1.068 219 L CA 0.309 54.827 54.840 -0.537 0.000 0.811 219 L CB -0.013 41.460 42.059 -0.977 0.000 0.989 219 L HN 0.281 nan 8.230 nan 0.000 0.467 220 F N 0.026 119.892 119.950 -0.140 0.000 2.404 220 F HA 0.557 5.084 4.527 -0.000 0.000 0.339 220 F C 0.804 176.552 175.800 -0.087 0.000 1.105 220 F CA -0.740 57.199 58.000 -0.102 0.000 1.087 220 F CB 1.245 40.182 39.000 -0.104 0.000 1.143 220 F HN -0.221 nan 8.300 nan 0.000 0.491 221 G N 1.146 110.016 108.800 0.117 0.000 2.600 221 G HA2 0.559 4.519 3.960 -0.000 0.000 0.303 221 G HA3 0.559 4.519 3.960 -0.000 0.000 0.303 221 G C -1.677 173.280 174.900 0.094 0.000 1.253 221 G CA -0.744 44.401 45.100 0.075 0.000 0.974 221 G HN 0.408 nan 8.290 nan 0.000 0.483 222 D N -0.924 119.543 120.400 0.112 0.000 2.228 222 D HA 0.722 5.362 4.640 -0.000 0.000 0.247 222 D C 0.437 176.783 176.300 0.078 0.000 0.995 222 D CA 0.249 54.305 54.000 0.093 0.000 0.903 222 D CB 1.847 42.711 40.800 0.106 0.000 1.205 222 D HN 0.799 nan 8.370 nan 0.000 0.459 223 G N -1.093 107.728 108.800 0.035 0.000 2.368 223 G HA2 0.614 4.573 3.960 -0.000 0.000 0.293 223 G HA3 0.614 4.573 3.960 -0.000 0.000 0.293 223 G C -1.965 173.007 174.900 0.119 0.000 1.467 223 G CA -0.433 44.708 45.100 0.068 0.000 0.804 223 G HN 0.567 nan 8.290 nan 0.000 0.535 224 A N -0.868 122.088 122.820 0.226 0.000 2.414 224 A HA 1.046 5.365 4.320 -0.000 0.000 0.306 224 A C -0.058 177.627 177.584 0.169 0.000 1.054 224 A CA 0.170 52.296 52.037 0.148 0.000 0.724 224 A CB 1.618 20.645 19.000 0.046 0.000 1.267 224 A HN 2.418 nan 8.150 nan 0.000 0.418 225 A N 0.685 123.560 122.820 0.091 0.000 2.374 225 A HA 0.956 5.276 4.320 -0.000 0.000 0.317 225 A C -0.187 177.332 177.584 -0.109 0.000 1.094 225 A CA -0.038 51.961 52.037 -0.064 0.000 0.765 225 A CB 1.472 20.472 19.000 0.000 0.000 1.268 225 A HN 2.468 nan 8.150 nan 0.000 0.438 226 A N 1.045 123.785 122.820 -0.134 0.000 2.449 226 A HA 0.766 5.086 4.320 -0.000 0.000 0.302 226 A C -1.560 175.951 177.584 -0.122 0.000 1.048 226 A CA -0.315 51.646 52.037 -0.127 0.000 0.708 226 A CB 1.012 19.947 19.000 -0.109 0.000 1.274 226 A HN 0.814 nan 8.150 nan 0.000 0.410 227 L N 2.055 123.202 121.223 -0.127 0.000 2.354 227 L HA 0.600 4.940 4.340 -0.000 0.000 0.264 227 L C -0.709 176.049 176.870 -0.187 0.000 1.008 227 L CA -0.335 54.425 54.840 -0.133 0.000 0.819 227 L CB 1.972 43.965 42.059 -0.109 0.000 1.339 227 L HN 0.562 nan 8.230 nan 0.000 0.420 228 I N 2.740 123.163 120.570 -0.245 0.000 2.339 228 I HA 0.480 4.650 4.170 -0.000 0.000 0.290 228 I C -0.416 175.518 176.117 -0.304 0.000 0.994 228 I CA -0.493 60.561 61.300 -0.410 0.000 1.191 228 I CB 1.593 39.108 38.000 -0.808 0.000 1.343 228 I HN 0.150 nan 8.210 nan 0.000 0.458 229 V N 5.234 124.991 119.914 -0.263 0.000 2.604 229 V HA 0.952 5.072 4.120 -0.000 0.000 0.305 229 V C 0.314 176.313 176.094 -0.158 0.000 1.043 229 V CA -0.429 61.766 62.300 -0.175 0.000 0.888 229 V CB 1.975 33.715 31.823 -0.138 0.000 0.995 229 V HN 0.961 nan 8.190 nan 0.000 0.429 230 G N 2.020 110.755 108.800 -0.108 0.000 2.646 230 G HA2 0.585 4.545 3.960 -0.000 0.000 0.291 230 G HA3 0.585 4.545 3.960 -0.000 0.000 0.291 230 G C -1.236 173.630 174.900 -0.056 0.000 1.445 230 G CA -0.466 44.592 45.100 -0.070 0.000 0.814 230 G HN 0.582 nan 8.290 nan 0.000 0.495 231 S N -1.138 114.531 115.700 -0.052 0.000 2.651 231 S HA 0.642 5.112 4.470 -0.000 0.000 0.291 231 S C 0.895 175.450 174.600 -0.075 0.000 1.141 231 S CA 0.568 58.735 58.200 -0.056 0.000 1.027 231 S CB 1.434 64.603 63.200 -0.051 0.000 1.043 231 S HN 2.257 nan 8.310 nan 0.000 0.530 232 G N 3.021 111.767 108.800 -0.091 0.000 2.370 232 G HA2 -0.159 3.801 3.960 -0.000 0.000 0.293 232 G HA3 -0.159 3.801 3.960 -0.000 0.000 0.293 232 G C -2.778 171.955 174.900 -0.277 0.000 0.992 232 G CA -0.904 44.105 45.100 -0.151 0.000 1.247 232 G HN 0.448 nan 8.290 nan 0.000 0.505 233 P HA 0.072 nan 4.420 nan 0.000 0.266 233 P C 0.220 177.370 177.300 -0.250 0.000 1.195 233 P CA 0.249 63.257 63.100 -0.155 0.000 0.768 233 P CB 0.368 32.043 31.700 -0.041 0.000 0.838 234 H N 2.988 122.093 119.070 0.057 0.000 3.014 234 H HA 0.098 4.654 4.556 -0.000 0.000 0.266 234 H C 0.070 175.411 175.328 0.022 0.000 1.455 234 H CA -0.609 55.459 56.048 0.033 0.000 1.402 234 H CB -0.151 29.628 29.762 0.028 0.000 1.626 234 H HN 0.212 nan 8.280 nan 0.000 0.520 235 L N 2.913 124.178 121.223 0.069 0.000 2.583 235 L HA 0.005 4.345 4.340 -0.000 0.000 0.280 235 L C 1.103 177.999 176.870 0.044 0.000 1.261 235 L CA 0.552 55.416 54.840 0.039 0.000 1.164 235 L CB -0.829 41.237 42.059 0.012 0.000 1.402 235 L HN 0.807 nan 8.230 nan 0.000 0.443 236 A N 1.812 124.658 122.820 0.043 0.000 1.583 236 A HA 0.108 4.428 4.320 -0.000 0.000 0.191 236 A C 1.046 178.634 177.584 0.007 0.000 2.021 236 A CA 0.550 52.599 52.037 0.020 0.000 1.623 236 A CB -0.041 18.970 19.000 0.018 0.000 1.582 236 A HN 0.351 nan 8.150 nan 0.000 0.283 237 V N -2.099 117.826 119.914 0.019 0.000 3.539 237 V HA 0.439 4.559 4.120 -0.000 0.000 0.262 237 V C 0.173 176.274 176.094 0.011 0.000 1.381 237 V CA 0.496 62.787 62.300 -0.015 0.000 1.060 237 V CB 0.272 32.057 31.823 -0.062 0.000 0.842 237 V HN 0.312 nan 8.190 nan 0.000 0.445 238 E N 1.426 121.669 120.200 0.072 0.000 2.191 238 E HA 0.590 4.940 4.350 -0.000 0.000 0.274 238 E C -0.712 175.935 176.600 0.078 0.000 0.948 238 E CA -0.692 55.782 56.400 0.125 0.000 0.802 238 E CB 2.376 32.206 29.700 0.217 0.000 1.137 238 E HN 0.309 nan 8.360 nan 0.000 0.397 239 R N 3.518 124.065 120.500 0.077 0.000 2.335 239 R HA 0.291 4.631 4.340 -0.000 0.000 0.302 239 R C -2.581 173.716 176.300 -0.005 0.000 1.147 239 R CA -1.955 54.158 56.100 0.021 0.000 1.111 239 R CB 0.532 30.835 30.300 0.006 0.000 1.122 239 R HN 0.221 nan 8.270 nan 0.000 0.557 240 P HA -0.038 nan 4.420 nan 0.000 0.264 240 P C -0.082 177.143 177.300 -0.126 0.000 1.183 240 P CA 0.402 63.469 63.100 -0.054 0.000 0.763 240 P CB 0.713 32.383 31.700 -0.049 0.000 0.807 241 I N 0.956 121.426 120.570 -0.167 0.000 3.366 241 I HA 0.172 4.342 4.170 -0.000 0.000 0.267 241 I C 0.260 175.966 176.117 -0.684 0.000 1.149 241 I CA 0.636 61.704 61.300 -0.386 0.000 1.436 241 I CB 0.123 37.949 38.000 -0.289 0.000 1.379 241 I HN 0.155 nan 8.210 nan 0.000 0.460 242 F N 0.516 120.446 119.950 -0.033 0.000 2.613 242 F HA 0.422 4.949 4.527 -0.000 0.000 0.310 242 F C -0.352 175.434 175.800 -0.023 0.000 1.085 242 F CA -0.962 57.030 58.000 -0.013 0.000 0.945 242 F CB 1.461 40.463 39.000 0.004 0.000 1.298 242 F HN -0.198 nan 8.300 nan 0.000 0.455 243 E N 2.081 122.396 120.200 0.192 0.000 2.204 243 E HA 0.524 4.874 4.350 -0.000 0.000 0.276 243 E C -0.974 175.657 176.600 0.052 0.000 0.974 243 E CA -0.672 55.777 56.400 0.081 0.000 0.815 243 E CB 2.073 31.797 29.700 0.040 0.000 1.119 243 E HN 0.393 nan 8.360 nan 0.000 0.393 244 I N 3.393 123.964 120.570 0.002 0.000 2.291 244 I HA 0.024 4.194 4.170 -0.000 0.000 0.292 244 I C 0.952 177.039 176.117 -0.051 0.000 1.064 244 I CA -0.224 61.052 61.300 -0.040 0.000 1.269 244 I CB 0.767 38.733 38.000 -0.058 0.000 1.418 244 I HN 0.435 nan 8.210 nan 0.000 0.485 245 V N 4.107 123.982 119.914 -0.065 0.000 2.273 245 V HA -0.044 4.076 4.120 -0.000 0.000 0.242 245 V C 0.973 177.024 176.094 -0.071 0.000 1.035 245 V CA 1.343 63.605 62.300 -0.064 0.000 1.013 245 V CB -0.267 31.510 31.823 -0.077 0.000 0.652 245 V HN 0.881 nan 8.190 nan 0.000 0.452 246 S N -2.242 113.404 115.700 -0.090 0.000 2.625 246 S HA 0.627 5.097 4.470 -0.000 0.000 0.271 246 S C -0.806 173.738 174.600 -0.093 0.000 1.161 246 S CA -0.504 57.648 58.200 -0.081 0.000 0.820 246 S CB 2.495 65.651 63.200 -0.073 0.000 1.137 246 S HN 0.106 nan 8.310 nan 0.000 0.470 247 T N 0.920 115.429 114.554 -0.075 0.000 3.071 247 T HA 0.628 4.977 4.350 -0.000 0.000 0.311 247 T C -2.162 172.508 174.700 -0.050 0.000 1.042 247 T CA -0.303 61.753 62.100 -0.073 0.000 1.028 247 T CB 1.478 70.302 68.868 -0.073 0.000 1.068 247 T HN 0.844 nan 8.240 nan 0.000 0.451 248 D N 2.053 122.429 120.400 -0.040 0.000 2.732 248 D HA 0.509 5.149 4.640 -0.000 0.000 0.229 248 D C -1.057 175.241 176.300 -0.003 0.000 1.152 248 D CA -0.439 53.552 54.000 -0.014 0.000 0.854 248 D CB 1.743 42.545 40.800 0.004 0.000 1.590 248 D HN 0.357 nan 8.370 nan 0.000 0.468 249 Q N 1.946 121.749 119.800 0.004 0.000 2.304 249 Q HA 0.566 4.906 4.340 -0.000 0.000 0.270 249 Q C -1.676 174.337 176.000 0.022 0.000 1.035 249 Q CA -0.687 55.123 55.803 0.012 0.000 0.781 249 Q CB 1.721 30.460 28.738 0.002 0.000 1.261 249 Q HN 0.605 nan 8.270 nan 0.000 0.444 250 T N 1.410 115.984 114.554 0.034 0.000 2.916 250 T HA 0.575 4.925 4.350 -0.000 0.000 0.305 250 T C -0.654 174.067 174.700 0.034 0.000 1.119 250 T CA -0.849 61.270 62.100 0.031 0.000 1.008 250 T CB 1.084 69.972 68.868 0.033 0.000 1.129 250 T HN 0.600 nan 8.240 nan 0.000 0.480 251 I N 2.015 122.600 120.570 0.025 0.000 2.396 251 I HA 0.659 4.829 4.170 -0.000 0.000 0.292 251 I C -0.981 175.146 176.117 0.018 0.000 0.999 251 I CA -0.745 60.569 61.300 0.024 0.000 1.310 251 I CB 0.541 38.552 38.000 0.018 0.000 1.404 251 I HN 0.530 nan 8.210 nan 0.000 0.496 252 L N 9.379 130.611 121.223 0.015 0.000 2.360 252 L HA 0.461 4.801 4.340 -0.000 0.000 0.276 252 L C -1.962 174.902 176.870 -0.010 0.000 1.121 252 L CA -1.771 53.069 54.840 0.001 0.000 0.845 252 L CB -0.103 41.952 42.059 -0.006 0.000 1.143 252 L HN 0.581 nan 8.230 nan 0.000 0.452 253 P HA 0.006 nan 4.420 nan 0.000 0.268 253 P C -0.495 176.789 177.300 -0.028 0.000 1.205 253 P CA -0.046 63.044 63.100 -0.016 0.000 0.771 253 P CB 0.508 32.200 31.700 -0.013 0.000 0.858 254 D N 0.770 121.153 120.400 -0.029 0.000 2.723 254 D HA -0.116 4.524 4.640 -0.000 0.000 0.236 254 D C 0.312 176.576 176.300 -0.060 0.000 1.138 254 D CA 1.536 55.511 54.000 -0.041 0.000 0.676 254 D CB -1.789 38.986 40.800 -0.042 0.000 1.069 254 D HN 0.617 nan 8.370 nan 0.000 0.430 255 T N -3.922 110.601 114.554 -0.053 0.000 3.288 255 T HA 0.207 4.557 4.350 -0.000 0.000 0.293 255 T C 1.136 175.803 174.700 -0.054 0.000 1.008 255 T CA -0.223 61.836 62.100 -0.068 0.000 0.929 255 T CB 1.014 69.848 68.868 -0.056 0.000 1.152 255 T HN 0.180 nan 8.240 nan 0.000 0.517 256 E N 2.636 122.811 120.200 -0.042 0.000 2.118 256 E HA -0.228 4.122 4.350 -0.000 0.000 0.195 256 E C 1.933 178.515 176.600 -0.031 0.000 0.992 256 E CA 1.431 57.816 56.400 -0.025 0.000 0.804 256 E CB -0.053 29.638 29.700 -0.014 0.000 0.741 256 E HN 0.794 nan 8.360 nan 0.000 0.458 257 K N -0.413 119.954 120.400 -0.054 0.000 2.486 257 K HA 0.118 4.438 4.320 -0.000 0.000 0.194 257 K C 1.833 178.402 176.600 -0.052 0.000 1.033 257 K CA 0.694 56.949 56.287 -0.053 0.000 1.004 257 K CB 0.164 32.612 32.500 -0.085 0.000 0.798 257 K HN 0.068 nan 8.250 nan 0.000 0.495 258 A N 2.160 124.944 122.820 -0.060 0.000 1.892 258 A HA -0.083 4.237 4.320 -0.000 0.000 0.218 258 A C 1.192 178.757 177.584 -0.033 0.000 1.188 258 A CA 1.515 53.533 52.037 -0.031 0.000 0.631 258 A CB -0.452 18.530 19.000 -0.031 0.000 0.822 258 A HN 0.551 nan 8.150 nan 0.000 0.447 259 M N -1.896 117.668 119.600 -0.060 0.000 2.322 259 M HA 0.502 4.982 4.480 -0.000 0.000 0.285 259 M C -1.663 174.557 176.300 -0.133 0.000 1.119 259 M CA -0.416 54.803 55.300 -0.135 0.000 0.953 259 M CB 2.301 34.843 32.600 -0.096 0.000 1.701 259 M HN -0.096 nan 8.290 nan 0.000 0.479 260 K N 3.283 123.554 120.400 -0.216 0.000 2.443 260 K HA 0.806 5.126 4.320 -0.000 0.000 0.252 260 K C -1.911 174.455 176.600 -0.391 0.000 0.933 260 K CA -0.801 55.339 56.287 -0.245 0.000 0.792 260 K CB 2.957 35.343 32.500 -0.189 0.000 1.185 260 K HN 0.578 nan 8.250 nan 0.000 0.425 261 L N 3.684 124.686 121.223 -0.368 0.000 2.406 261 L HA 0.352 4.692 4.340 -0.000 0.000 0.272 261 L C -0.750 175.963 176.870 -0.263 0.000 0.980 261 L CA -0.690 53.983 54.840 -0.279 0.000 0.831 261 L CB 1.305 43.349 42.059 -0.025 0.000 1.253 261 L HN 0.496 nan 8.230 nan 0.000 0.406 262 H N 3.225 122.329 119.070 0.056 0.000 2.457 262 H HA 0.468 5.024 4.556 -0.000 0.000 0.335 262 H C -0.757 174.604 175.328 0.055 0.000 1.115 262 H CA -0.905 55.170 56.048 0.045 0.000 1.219 262 H CB 2.664 32.446 29.762 0.033 0.000 1.471 262 H HN 0.372 nan 8.280 nan 0.000 0.491 263 L N 4.085 125.403 121.223 0.158 0.000 2.261 263 L HA 0.306 4.646 4.340 -0.000 0.000 0.289 263 L C 0.012 176.936 176.870 0.091 0.000 1.059 263 L CA 0.158 55.059 54.840 0.102 0.000 0.816 263 L CB -0.186 41.908 42.059 0.059 0.000 1.191 263 L HN 0.533 nan 8.230 nan 0.000 0.431 264 R N 2.588 123.145 120.500 0.095 0.000 2.922 264 R HA 0.344 4.684 4.340 -0.000 0.000 0.256 264 R C 0.607 176.944 176.300 0.063 0.000 1.138 264 R CA -0.841 55.301 56.100 0.070 0.000 0.995 264 R CB 1.000 31.345 30.300 0.074 0.000 1.226 264 R HN 0.514 nan 8.270 nan 0.000 0.481 265 E N 0.275 120.503 120.200 0.046 0.000 2.219 265 E HA -0.149 4.201 4.350 -0.000 0.000 0.198 265 E C 1.279 177.912 176.600 0.056 0.000 0.998 265 E CA 1.532 57.956 56.400 0.039 0.000 0.818 265 E CB -0.082 29.634 29.700 0.026 0.000 0.741 265 E HN 0.741 nan 8.360 nan 0.000 0.477 266 G N -0.189 108.656 108.800 0.076 0.000 3.233 266 G HA2 0.380 4.340 3.960 -0.000 0.000 0.227 266 G HA3 0.380 4.340 3.960 -0.000 0.000 0.227 266 G C 0.525 175.542 174.900 0.196 0.000 1.175 266 G CA 0.160 45.327 45.100 0.112 0.000 0.781 266 G HN 0.456 nan 8.290 nan 0.000 0.542 267 G N -0.550 108.341 108.800 0.151 0.000 2.548 267 G HA2 0.027 3.987 3.960 -0.000 0.000 0.208 267 G HA3 0.027 3.987 3.960 -0.000 0.000 0.208 267 G C -0.763 174.249 174.900 0.186 0.000 1.308 267 G CA -0.352 44.841 45.100 0.154 0.000 0.924 267 G HN 0.831 nan 8.290 nan 0.000 0.540 268 L N 1.709 123.041 121.223 0.182 0.000 2.281 268 L HA 0.654 4.994 4.340 -0.000 0.000 0.285 268 L C 1.548 178.592 176.870 0.290 0.000 1.074 268 L CA 0.650 55.597 54.840 0.178 0.000 0.817 268 L CB 0.760 42.881 42.059 0.104 0.000 1.168 268 L HN 1.300 nan 8.230 nan 0.000 0.434 269 T N 1.804 116.469 114.554 0.185 0.000 2.788 269 T HA 0.470 4.819 4.350 -0.000 0.000 0.287 269 T C -0.444 174.367 174.700 0.185 0.000 1.007 269 T CA -0.343 61.837 62.100 0.132 0.000 1.005 269 T CB 0.804 69.710 68.868 0.064 0.000 1.012 269 T HN 0.429 nan 8.240 nan 0.000 0.530 270 F N 1.227 121.177 119.950 -0.001 0.000 2.607 270 F HA 0.459 4.986 4.527 0.000 0.000 0.322 270 F C -0.879 174.937 175.800 0.026 0.000 1.176 270 F CA -0.655 57.359 58.000 0.023 0.000 0.977 270 F CB 1.939 41.002 39.000 0.105 0.000 1.242 270 F HN 0.914 nan 8.300 nan 0.000 0.465 271 Q N 7.828 127.332 119.800 -0.493 0.000 2.263 271 Q HA 0.536 4.876 4.340 -0.000 0.000 0.266 271 Q C -2.480 173.197 176.000 -0.538 0.000 1.002 271 Q CA -0.754 54.830 55.803 -0.365 0.000 0.790 271 Q CB 2.226 30.873 28.738 -0.152 0.000 1.272 271 Q HN 0.887 nan 8.270 nan 0.000 0.435 272 L N 4.280 125.253 121.223 -0.417 0.000 2.406 272 L HA 0.426 4.766 4.340 -0.000 0.000 0.270 272 L C -0.934 175.901 176.870 -0.059 0.000 0.982 272 L CA -0.816 53.866 54.840 -0.264 0.000 0.843 272 L CB 1.608 43.551 42.059 -0.193 0.000 1.225 272 L HN 0.881 nan 8.230 nan 0.000 0.412 273 H N 3.229 122.246 119.070 -0.089 0.000 2.732 273 H HA 0.087 4.643 4.556 -0.000 0.000 0.351 273 H C 1.306 176.615 175.328 -0.031 0.000 1.090 273 H CA 0.225 56.242 56.048 -0.050 0.000 1.431 273 H CB 1.019 30.752 29.762 -0.048 0.000 1.447 273 H HN 0.575 nan 8.280 nan 0.000 0.582 274 R N 2.274 122.554 120.500 -0.365 0.000 2.193 274 R HA -0.098 4.242 4.340 -0.000 0.000 0.229 274 R C 0.047 176.348 176.300 0.002 0.000 1.110 274 R CA 1.673 57.675 56.100 -0.164 0.000 0.988 274 R CB 0.143 30.307 30.300 -0.227 0.000 0.871 274 R HN 0.540 nan 8.270 nan 0.000 0.458 275 D N 0.644 121.185 120.400 0.236 0.000 2.340 275 D HA 0.066 4.706 4.640 -0.000 0.000 0.217 275 D C 1.608 177.956 176.300 0.080 0.000 1.081 275 D CA 0.081 54.190 54.000 0.182 0.000 0.842 275 D CB 0.590 41.539 40.800 0.248 0.000 0.934 275 D HN 0.026 nan 8.370 nan 0.000 0.511 276 V N 1.933 121.892 119.914 0.075 0.000 2.282 276 V HA -0.226 3.893 4.120 -0.000 0.000 0.249 276 V C -0.537 175.513 176.094 -0.073 0.000 1.057 276 V CA 1.942 64.239 62.300 -0.005 0.000 1.032 276 V CB -1.229 30.602 31.823 0.013 0.000 0.645 276 V HN 0.172 nan 8.190 nan 0.000 0.447 277 P HA -0.148 nan 4.420 nan 0.000 0.216 277 P C 1.761 178.989 177.300 -0.121 0.000 1.150 277 P CA 1.233 64.265 63.100 -0.112 0.000 0.843 277 P CB -0.041 31.614 31.700 -0.075 0.000 0.787 278 L N -1.952 119.224 121.223 -0.078 0.000 2.156 278 L HA 0.008 4.348 4.340 -0.000 0.000 0.208 278 L C 2.322 179.137 176.870 -0.092 0.000 1.095 278 L CA 1.694 56.489 54.840 -0.074 0.000 0.770 278 L CB -1.341 40.694 42.059 -0.040 0.000 0.914 278 L HN -0.019 nan 8.230 nan 0.000 0.439 279 M N -2.234 117.310 119.600 -0.094 0.000 2.213 279 M HA -0.168 4.312 4.480 -0.000 0.000 0.263 279 M C 2.126 178.336 176.300 -0.150 0.000 1.062 279 M CA 1.090 56.328 55.300 -0.104 0.000 1.105 279 M CB -0.371 32.172 32.600 -0.094 0.000 1.385 279 M HN 0.025 nan 8.290 nan 0.000 0.417 280 V N 0.360 120.140 119.914 -0.225 0.000 2.323 280 V HA -0.188 3.932 4.120 -0.000 0.000 0.244 280 V C 2.683 178.613 176.094 -0.272 0.000 1.041 280 V CA 1.885 63.978 62.300 -0.346 0.000 1.025 280 V CB -1.114 30.335 31.823 -0.622 0.000 0.656 280 V HN 0.501 nan 8.190 nan 0.000 0.451 281 A N 0.036 122.726 122.820 -0.218 0.000 1.917 281 A HA -0.335 3.985 4.320 -0.000 0.000 0.219 281 A C 2.339 179.849 177.584 -0.122 0.000 1.182 281 A CA 2.496 54.435 52.037 -0.163 0.000 0.633 281 A CB -0.586 18.341 19.000 -0.121 0.000 0.819 281 A HN 0.548 nan 8.150 nan 0.000 0.448 282 K N -0.774 119.563 120.400 -0.105 0.000 2.097 282 K HA -0.142 4.178 4.320 -0.000 0.000 0.206 282 K C 1.075 177.635 176.600 -0.067 0.000 1.049 282 K CA 1.637 57.881 56.287 -0.072 0.000 0.933 282 K CB -0.153 32.309 32.500 -0.063 0.000 0.717 282 K HN 0.539 nan 8.250 nan 0.000 0.442 283 N N 0.204 118.849 118.700 -0.092 0.000 2.220 283 N HA -0.020 4.720 4.740 -0.000 0.000 0.195 283 N C 1.429 176.884 175.510 -0.091 0.000 1.123 283 N CA 0.150 53.157 53.050 -0.072 0.000 0.874 283 N CB 0.361 38.808 38.487 -0.067 0.000 0.995 283 N HN 0.125 nan 8.380 nan 0.000 0.498 284 I N 2.120 122.597 120.570 -0.155 0.000 2.353 284 I HA -0.113 4.057 4.170 -0.000 0.000 0.248 284 I C 2.177 178.207 176.117 -0.145 0.000 1.119 284 I CA 1.333 62.490 61.300 -0.237 0.000 1.417 284 I CB -0.006 37.780 38.000 -0.358 0.000 1.078 284 I HN -0.008 nan 8.210 nan 0.000 0.421 285 E N 0.256 120.409 120.200 -0.078 0.000 2.153 285 E HA -0.219 4.131 4.350 -0.000 0.000 0.194 285 E C 1.880 178.513 176.600 0.054 0.000 0.988 285 E CA 1.264 57.663 56.400 -0.001 0.000 0.811 285 E CB -0.263 29.504 29.700 0.112 0.000 0.746 285 E HN 0.647 nan 8.360 nan 0.000 0.466 286 N N 0.541 119.266 118.700 0.041 0.000 2.166 286 N HA -0.142 4.598 4.740 -0.000 0.000 0.186 286 N C 1.859 177.411 175.510 0.071 0.000 1.019 286 N CA 1.134 54.223 53.050 0.064 0.000 0.856 286 N CB -0.073 38.440 38.487 0.043 0.000 0.993 286 N HN 0.085 nan 8.380 nan 0.000 0.426 287 A N 1.171 124.030 122.820 0.064 0.000 1.877 287 A HA -0.055 4.265 4.320 -0.000 0.000 0.216 287 A C 2.332 180.023 177.584 0.178 0.000 1.186 287 A CA 1.787 53.910 52.037 0.142 0.000 0.620 287 A CB -1.089 18.023 19.000 0.185 0.000 0.822 287 A HN 0.335 nan 8.150 nan 0.000 0.443 288 A N -0.363 122.547 122.820 0.150 0.000 1.883 288 A HA -0.215 4.105 4.320 -0.000 0.000 0.217 288 A C 1.942 179.489 177.584 -0.062 0.000 1.186 288 A CA 1.864 53.899 52.037 -0.005 0.000 0.624 288 A CB -0.605 18.176 19.000 -0.364 0.000 0.822 288 A HN 0.643 nan 8.150 nan 0.000 0.444 289 E N -0.709 119.532 120.200 0.069 0.000 2.106 289 E HA -0.180 4.170 4.350 -0.000 0.000 0.192 289 E C 2.113 178.803 176.600 0.149 0.000 0.984 289 E CA 1.258 57.805 56.400 0.244 0.000 0.806 289 E CB -0.093 29.775 29.700 0.281 0.000 0.750 289 E HN 0.637 nan 8.360 nan 0.000 0.458 290 K N 0.482 120.940 120.400 0.098 0.000 2.097 290 K HA -0.117 4.203 4.320 -0.000 0.000 0.205 290 K C 2.034 178.659 176.600 0.041 0.000 1.050 290 K CA 1.105 57.432 56.287 0.067 0.000 0.938 290 K CB -0.027 32.507 32.500 0.057 0.000 0.718 290 K HN 0.076 nan 8.250 nan 0.000 0.442 291 A N 0.755 123.589 122.820 0.023 0.000 1.897 291 A HA -0.029 4.291 4.320 -0.000 0.000 0.215 291 A C 1.961 179.525 177.584 -0.032 0.000 1.181 291 A CA 0.996 53.012 52.037 -0.034 0.000 0.620 291 A CB -0.216 18.726 19.000 -0.097 0.000 0.821 291 A HN 0.293 nan 8.150 nan 0.000 0.443 292 L N -1.356 119.882 121.223 0.025 0.000 2.408 292 L HA 0.028 4.368 4.340 -0.000 0.000 0.215 292 L C 2.602 179.538 176.870 0.109 0.000 1.081 292 L CA 0.546 55.425 54.840 0.065 0.000 0.840 292 L CB -0.124 42.042 42.059 0.178 0.000 1.002 292 L HN 0.253 nan 8.230 nan 0.000 0.468 293 S N 0.894 116.678 115.700 0.139 0.000 2.365 293 S HA -0.132 4.338 4.470 -0.000 0.000 0.225 293 S C -0.562 174.072 174.600 0.058 0.000 1.039 293 S CA 1.716 59.980 58.200 0.108 0.000 1.033 293 S CB -1.114 62.150 63.200 0.108 0.000 0.887 293 S HN 0.286 nan 8.310 nan 0.000 0.447 294 P HA -0.017 nan 4.420 nan 0.000 0.221 294 P C 0.826 178.133 177.300 0.011 0.000 1.145 294 P CA 0.731 63.843 63.100 0.019 0.000 0.795 294 P CB 0.012 31.716 31.700 0.007 0.000 0.775 295 L N -1.893 119.337 121.223 0.011 0.000 2.591 295 L HA 0.316 4.656 4.340 -0.000 0.000 0.228 295 L C 1.561 178.439 176.870 0.013 0.000 1.133 295 L CA 0.774 55.615 54.840 0.002 0.000 0.880 295 L CB -1.647 40.403 42.059 -0.016 0.000 1.033 295 L HN 0.110 nan 8.230 nan 0.000 0.450 296 G N 0.361 109.176 108.800 0.025 0.000 2.198 296 G HA2 -0.306 3.654 3.960 -0.000 0.000 0.260 296 G HA3 -0.306 3.654 3.960 -0.000 0.000 0.260 296 G C 0.374 175.292 174.900 0.030 0.000 1.025 296 G CA 0.401 45.515 45.100 0.024 0.000 0.769 296 G HN 0.341 nan 8.290 nan 0.000 0.507 297 I N 0.491 121.096 120.570 0.059 0.000 2.377 297 I HA 0.504 4.674 4.170 -0.000 0.000 0.293 297 I C 1.421 177.608 176.117 0.116 0.000 0.987 297 I CA 0.077 61.426 61.300 0.080 0.000 1.185 297 I CB 1.952 40.011 38.000 0.098 0.000 1.341 297 I HN 0.216 nan 8.210 nan 0.000 0.455 298 T N -1.068 113.472 114.554 -0.022 0.000 2.966 298 T HA 0.102 4.452 4.350 -0.000 0.000 0.254 298 T C 0.381 174.718 174.700 -0.605 0.000 0.961 298 T CA -0.199 61.715 62.100 -0.310 0.000 0.915 298 T CB 0.105 68.820 68.868 -0.255 0.000 1.186 298 T HN 0.392 nan 8.240 nan 0.000 0.505 299 D N 0.863 121.146 120.400 -0.194 0.000 2.374 299 D HA 0.182 4.822 4.640 -0.000 0.000 0.240 299 D C 0.261 176.688 176.300 0.212 0.000 1.229 299 D CA -0.787 53.150 54.000 -0.106 0.000 0.895 299 D CB 0.077 40.870 40.800 -0.012 0.000 1.046 299 D HN 0.479 nan 8.370 nan 0.000 0.498 300 W N 2.451 123.871 121.300 0.200 0.000 2.392 300 W HA -0.102 4.558 4.660 -0.000 0.000 0.279 300 W C 1.744 178.516 176.519 0.421 0.000 1.225 300 W CA -0.546 57.032 57.345 0.387 0.000 1.233 300 W CB 0.078 29.708 29.460 0.283 0.000 1.122 300 W HN 0.348 nan 8.180 nan 0.000 0.561 301 N N 0.240 119.201 118.700 0.435 0.000 2.467 301 N HA -0.090 4.650 4.740 -0.000 0.000 0.184 301 N C 1.658 177.332 175.510 0.272 0.000 1.106 301 N CA 1.344 54.595 53.050 0.334 0.000 0.892 301 N CB -0.143 38.462 38.487 0.198 0.000 0.969 301 N HN 0.053 nan 8.380 nan 0.000 0.454 302 S N -0.224 115.620 115.700 0.240 0.000 2.650 302 S HA 0.095 4.565 4.470 -0.000 0.000 0.219 302 S C 0.608 175.286 174.600 0.130 0.000 0.960 302 S CA -0.350 57.945 58.200 0.158 0.000 0.925 302 S CB -0.542 62.723 63.200 0.109 0.000 0.775 302 S HN 0.033 nan 8.310 nan 0.000 0.525 303 V N -1.731 118.273 119.914 0.149 0.000 3.130 303 V HA 0.876 4.996 4.120 -0.000 0.000 0.310 303 V C -0.649 175.373 176.094 -0.121 0.000 1.158 303 V CA -1.808 60.426 62.300 -0.110 0.000 1.029 303 V CB 1.128 32.694 31.823 -0.428 0.000 1.057 303 V HN 0.294 nan 8.190 nan 0.000 0.436 304 F N -0.357 119.436 119.950 -0.261 0.000 2.397 304 F HA 0.914 5.441 4.527 -0.000 0.000 0.331 304 F C -0.987 174.545 175.800 -0.447 0.000 1.090 304 F CA -1.490 56.411 58.000 -0.166 0.000 1.065 304 F CB 0.913 39.875 39.000 -0.063 0.000 1.184 304 F HN 0.572 nan 8.300 nan 0.000 0.499 305 W N 4.228 125.605 121.300 0.128 0.000 2.600 305 W HA 0.643 5.303 4.660 -0.000 0.000 0.325 305 W C -1.041 175.517 176.519 0.066 0.000 1.034 305 W CA -1.056 56.297 57.345 0.012 0.000 1.226 305 W CB 2.084 31.575 29.460 0.051 0.000 1.379 305 W HN 0.421 nan 8.180 nan 0.000 0.466 306 M N 3.564 123.269 119.600 0.176 0.000 2.043 306 M HA 0.613 5.092 4.480 -0.000 0.000 0.322 306 M C -1.234 175.176 176.300 0.183 0.000 0.962 306 M CA -0.946 54.445 55.300 0.151 0.000 0.927 306 M CB 0.968 33.598 32.600 0.050 0.000 1.466 306 M HN 0.031 nan 8.290 nan 0.000 0.412 307 V N 2.376 122.445 119.914 0.258 0.000 2.357 307 V HA 0.188 4.308 4.120 -0.000 0.000 0.284 307 V C -0.070 176.184 176.094 0.267 0.000 1.018 307 V CA -0.570 61.936 62.300 0.343 0.000 0.841 307 V CB 1.008 33.074 31.823 0.404 0.000 0.991 307 V HN 0.881 nan 8.190 nan 0.000 0.437 308 H N 8.458 127.623 119.070 0.157 0.000 3.237 308 H HA 0.047 4.603 4.556 -0.000 0.000 0.270 308 H C -1.995 173.478 175.328 0.241 0.000 0.900 308 H CA -0.999 55.137 56.048 0.146 0.000 1.415 308 H CB 0.791 30.584 29.762 0.051 0.000 1.484 308 H HN 0.401 nan 8.280 nan 0.000 0.540 309 P HA 0.056 nan 4.420 nan 0.000 0.241 309 P C 1.058 178.158 177.300 -0.334 0.000 1.760 309 P CA 0.292 63.258 63.100 -0.223 0.000 1.081 309 P CB 0.160 31.763 31.700 -0.162 0.000 1.975 310 G N 1.740 110.478 108.800 -0.103 0.000 2.469 310 G HA2 -0.026 3.934 3.960 -0.000 0.000 0.219 310 G HA3 -0.026 3.934 3.960 -0.000 0.000 0.219 310 G C 0.714 175.608 174.900 -0.009 0.000 1.150 310 G CA 0.725 45.899 45.100 0.123 0.000 0.763 310 G HN 0.632 nan 8.290 nan 0.000 0.561 311 G N -2.514 106.265 108.800 -0.034 0.000 2.660 311 G HA2 0.432 4.392 3.960 -0.000 0.000 0.290 311 G HA3 0.432 4.392 3.960 -0.000 0.000 0.290 311 G C 0.405 175.269 174.900 -0.059 0.000 1.432 311 G CA 0.105 45.163 45.100 -0.071 0.000 0.807 311 G HN 0.082 nan 8.290 nan 0.000 0.485 312 R N -0.192 120.269 120.500 -0.066 0.000 2.105 312 R HA -0.099 4.241 4.340 -0.000 0.000 0.239 312 R C 2.426 178.700 176.300 -0.042 0.000 1.135 312 R CA 2.281 58.351 56.100 -0.049 0.000 0.967 312 R CB -0.475 29.793 30.300 -0.054 0.000 0.861 312 R HN 0.553 nan 8.270 nan 0.000 0.442 313 A N 0.914 123.706 122.820 -0.046 0.000 1.969 313 A HA -0.080 4.240 4.320 -0.000 0.000 0.218 313 A C 2.168 179.714 177.584 -0.063 0.000 1.169 313 A CA 1.026 53.034 52.037 -0.049 0.000 0.635 313 A CB -0.339 18.633 19.000 -0.046 0.000 0.810 313 A HN 0.364 nan 8.150 nan 0.000 0.445 314 I N -0.393 120.136 120.570 -0.067 0.000 2.394 314 I HA -0.225 3.945 4.170 -0.000 0.000 0.251 314 I C 2.265 178.338 176.117 -0.073 0.000 1.136 314 I CA 0.849 62.084 61.300 -0.108 0.000 1.425 314 I CB -0.145 37.785 38.000 -0.116 0.000 1.079 314 I HN 0.314 nan 8.210 nan 0.000 0.425 315 L N -0.057 121.152 121.223 -0.025 0.000 2.044 315 L HA -0.198 4.142 4.340 -0.000 0.000 0.205 315 L C 2.157 179.012 176.870 -0.025 0.000 1.075 315 L CA 1.163 56.004 54.840 0.003 0.000 0.747 315 L CB -0.740 41.331 42.059 0.020 0.000 0.903 315 L HN 0.222 nan 8.230 nan 0.000 0.435 316 D N -0.304 120.076 120.400 -0.034 0.000 2.104 316 D HA -0.201 4.439 4.640 -0.000 0.000 0.194 316 D C 2.341 178.607 176.300 -0.056 0.000 0.994 316 D CA 1.078 55.055 54.000 -0.039 0.000 0.830 316 D CB -0.187 40.591 40.800 -0.037 0.000 0.959 316 D HN 0.210 nan 8.370 nan 0.000 0.452 317 Q N 0.283 120.039 119.800 -0.074 0.000 2.084 317 Q HA -0.066 4.274 4.340 -0.000 0.000 0.202 317 Q C 2.524 178.453 176.000 -0.117 0.000 0.978 317 Q CA 0.490 56.237 55.803 -0.094 0.000 0.844 317 Q CB -0.550 28.119 28.738 -0.115 0.000 0.898 317 Q HN 0.223 nan 8.270 nan 0.000 0.426 318 V N 1.239 121.074 119.914 -0.131 0.000 2.358 318 V HA -0.232 3.888 4.120 -0.000 0.000 0.246 318 V C 2.366 178.358 176.094 -0.171 0.000 1.047 318 V CA 1.960 64.160 62.300 -0.166 0.000 1.035 318 V CB -0.528 31.219 31.823 -0.127 0.000 0.658 318 V HN 0.443 nan 8.190 nan 0.000 0.452 319 E N 0.398 120.525 120.200 -0.122 0.000 2.038 319 E HA -0.261 4.089 4.350 -0.000 0.000 0.195 319 E C 2.480 179.029 176.600 -0.085 0.000 1.000 319 E CA 1.556 57.890 56.400 -0.109 0.000 0.803 319 E CB -0.079 29.587 29.700 -0.057 0.000 0.750 319 E HN 0.534 nan 8.360 nan 0.000 0.448 320 R N 0.240 120.700 120.500 -0.066 0.000 2.073 320 R HA -0.148 4.192 4.340 -0.000 0.000 0.234 320 R C 2.508 178.781 176.300 -0.044 0.000 1.134 320 R CA 1.582 57.654 56.100 -0.046 0.000 0.952 320 R CB -0.329 29.946 30.300 -0.042 0.000 0.850 320 R HN -0.016 nan 8.270 nan 0.000 0.433 321 K N 1.086 121.446 120.400 -0.068 0.000 2.097 321 K HA -0.026 4.294 4.320 -0.000 0.000 0.205 321 K C 1.684 178.271 176.600 -0.021 0.000 1.050 321 K CA 1.072 57.328 56.287 -0.052 0.000 0.938 321 K CB 0.043 32.490 32.500 -0.088 0.000 0.718 321 K HN 0.110 nan 8.250 nan 0.000 0.442 322 L N 1.818 122.994 121.223 -0.078 0.000 2.611 322 L HA 0.093 4.433 4.340 -0.000 0.000 0.229 322 L C -0.425 176.532 176.870 0.144 0.000 1.137 322 L CA -0.183 54.664 54.840 0.013 0.000 0.901 322 L CB -0.776 41.050 42.059 -0.388 0.000 1.098 322 L HN 0.295 nan 8.230 nan 0.000 0.456 323 N N 1.083 119.812 118.700 0.049 0.000 2.691 323 N HA -0.234 4.505 4.740 -0.000 0.000 0.277 323 N C -0.520 175.015 175.510 0.042 0.000 1.029 323 N CA 0.593 53.663 53.050 0.034 0.000 0.798 323 N CB -1.609 36.902 38.487 0.040 0.000 0.922 323 N HN 0.408 nan 8.380 nan 0.000 0.562 324 L N 0.113 121.331 121.223 -0.009 0.000 2.436 324 L HA 0.201 4.541 4.340 -0.000 0.000 0.265 324 L C 1.613 178.504 176.870 0.034 0.000 1.168 324 L CA -0.893 53.951 54.840 0.007 0.000 0.815 324 L CB 0.429 42.432 42.059 -0.093 0.000 1.109 324 L HN 0.332 nan 8.230 nan 0.000 0.462 325 K N 1.320 121.760 120.400 0.067 0.000 2.285 325 K HA 0.004 4.323 4.320 -0.000 0.000 0.255 325 K C 0.321 176.950 176.600 0.048 0.000 1.000 325 K CA -0.299 56.023 56.287 0.058 0.000 0.887 325 K CB 0.698 33.242 32.500 0.073 0.000 0.997 325 K HN 0.554 nan 8.250 nan 0.000 0.510 326 E N 0.328 120.553 120.200 0.041 0.000 2.347 326 E HA -0.124 4.226 4.350 -0.000 0.000 0.196 326 E C 0.015 176.641 176.600 0.044 0.000 1.008 326 E CA 1.034 57.454 56.400 0.034 0.000 0.852 326 E CB 0.110 29.826 29.700 0.026 0.000 0.783 326 E HN 0.542 nan 8.360 nan 0.000 0.505 327 D N -0.658 119.777 120.400 0.058 0.000 2.462 327 D HA 0.019 4.659 4.640 -0.000 0.000 0.221 327 D C 1.211 177.567 176.300 0.093 0.000 1.173 327 D CA -0.019 54.021 54.000 0.068 0.000 0.831 327 D CB 0.359 41.196 40.800 0.062 0.000 1.001 327 D HN -0.158 nan 8.370 nan 0.000 0.499 328 K N 0.021 120.482 120.400 0.103 0.000 2.113 328 K HA 0.007 4.327 4.320 -0.000 0.000 0.208 328 K C 1.084 177.787 176.600 0.172 0.000 1.047 328 K CA 1.099 57.479 56.287 0.154 0.000 0.928 328 K CB -0.009 32.577 32.500 0.143 0.000 0.716 328 K HN 0.226 nan 8.250 nan 0.000 0.446 329 L N 0.399 121.698 121.223 0.127 0.000 2.741 329 L HA 0.209 4.549 4.340 -0.000 0.000 0.237 329 L C 1.559 178.504 176.870 0.126 0.000 1.178 329 L CA -0.238 54.685 54.840 0.138 0.000 0.973 329 L CB 0.041 42.161 42.059 0.103 0.000 1.255 329 L HN 0.094 nan 8.230 nan 0.000 0.498 330 R N 1.939 122.509 120.500 0.117 0.000 2.096 330 R HA -0.189 4.151 4.340 -0.000 0.000 0.240 330 R C 2.135 178.520 176.300 0.142 0.000 1.139 330 R CA 2.189 58.356 56.100 0.112 0.000 0.952 330 R CB -0.618 29.737 30.300 0.092 0.000 0.854 330 R HN 0.227 nan 8.270 nan 0.000 0.436 331 A N 0.093 122.992 122.820 0.132 0.000 1.908 331 A HA -0.125 4.195 4.320 -0.000 0.000 0.218 331 A C 2.301 179.998 177.584 0.189 0.000 1.181 331 A CA 1.944 54.068 52.037 0.145 0.000 0.627 331 A CB -0.753 18.312 19.000 0.108 0.000 0.818 331 A HN 0.535 nan 8.150 nan 0.000 0.445 332 S N -0.617 115.182 115.700 0.164 0.000 2.406 332 S HA -0.087 4.383 4.470 -0.000 0.000 0.228 332 S C 2.014 176.690 174.600 0.127 0.000 1.020 332 S CA 1.048 59.337 58.200 0.148 0.000 0.965 332 S CB -0.251 63.036 63.200 0.145 0.000 0.798 332 S HN 0.587 nan 8.310 nan 0.000 0.488 333 R N 0.119 120.693 120.500 0.123 0.000 2.092 333 R HA -0.069 4.271 4.340 -0.000 0.000 0.231 333 R C 2.281 178.643 176.300 0.105 0.000 1.119 333 R CA 1.369 57.523 56.100 0.089 0.000 0.970 333 R CB -0.398 29.947 30.300 0.075 0.000 0.864 333 R HN 0.543 nan 8.270 nan 0.000 0.440 334 H N 0.565 119.678 119.070 0.072 0.000 2.290 334 H HA -0.132 4.424 4.556 -0.000 0.000 0.298 334 H C 1.963 177.367 175.328 0.126 0.000 1.087 334 H CA 2.275 58.374 56.048 0.084 0.000 1.291 334 H CB -0.110 29.711 29.762 0.098 0.000 1.369 334 H HN 0.078 nan 8.280 nan 0.000 0.492 335 V N -0.127 119.955 119.914 0.280 0.000 2.667 335 V HA -0.079 4.041 4.120 -0.000 0.000 0.252 335 V C 2.254 178.460 176.094 0.186 0.000 1.065 335 V CA 1.488 64.000 62.300 0.352 0.000 1.083 335 V CB -0.715 31.369 31.823 0.435 0.000 0.692 335 V HN 0.454 nan 8.190 nan 0.000 0.468 336 L N 1.247 122.512 121.223 0.070 0.000 2.083 336 L HA -0.080 4.260 4.340 -0.000 0.000 0.209 336 L C 2.670 179.509 176.870 -0.052 0.000 1.083 336 L CA 2.647 57.481 54.840 -0.010 0.000 0.752 336 L CB -0.914 41.120 42.059 -0.042 0.000 0.899 336 L HN 0.495 nan 8.230 nan 0.000 0.433 337 S N -1.098 114.554 115.700 -0.080 0.000 2.371 337 S HA -0.120 4.350 4.470 -0.000 0.000 0.224 337 S C 1.842 176.318 174.600 -0.207 0.000 1.029 337 S CA 1.103 59.220 58.200 -0.139 0.000 0.978 337 S CB -0.334 62.781 63.200 -0.143 0.000 0.833 337 S HN 0.593 nan 8.310 nan 0.000 0.466 338 E N -0.632 119.391 120.200 -0.295 0.000 2.299 338 E HA 0.040 4.390 4.350 -0.000 0.000 0.193 338 E C 0.654 176.950 176.600 -0.507 0.000 0.998 338 E CA 0.770 56.888 56.400 -0.470 0.000 0.851 338 E CB -0.001 29.277 29.700 -0.702 0.000 0.795 338 E HN 0.750 nan 8.360 nan 0.000 0.492 339 Y N -0.915 119.365 120.300 -0.032 0.000 2.437 339 Y HA 0.325 4.875 4.550 -0.000 0.000 0.266 339 Y C 1.204 177.055 175.900 -0.082 0.000 1.077 339 Y CA 0.280 58.380 58.100 -0.000 0.000 1.235 339 Y CB 1.030 39.448 38.460 -0.070 0.000 1.303 339 Y HN 0.050 nan 8.280 nan 0.000 0.536 340 G N 1.528 110.335 108.800 0.012 0.000 2.725 340 G HA2 -0.288 3.672 3.960 -0.000 0.000 0.220 340 G HA3 -0.288 3.672 3.960 -0.000 0.000 0.220 340 G C -0.735 174.125 174.900 -0.066 0.000 1.357 340 G CA -0.456 44.602 45.100 -0.069 0.000 0.866 340 G HN 0.267 nan 8.290 nan 0.000 0.548 341 N N 0.379 119.010 118.700 -0.115 0.000 2.401 341 N HA 0.347 5.087 4.740 -0.000 0.000 0.255 341 N C 0.995 176.572 175.510 0.111 0.000 1.110 341 N CA -0.283 52.727 53.050 -0.067 0.000 0.949 341 N CB 0.325 38.678 38.487 -0.224 0.000 1.110 341 N HN 0.548 nan 8.380 nan 0.000 0.490 342 L N 6.193 127.443 121.223 0.045 0.000 2.783 342 L HA 0.249 4.589 4.340 -0.000 0.000 0.236 342 L C 1.244 178.180 176.870 0.110 0.000 1.225 342 L CA -0.197 54.646 54.840 0.005 0.000 1.026 342 L CB -0.685 41.194 42.059 -0.301 0.000 1.314 342 L HN 0.561 nan 8.230 nan 0.000 0.489 343 I N -1.407 119.337 120.570 0.290 0.000 4.908 343 I HA -0.541 3.629 4.170 -0.000 0.000 0.038 343 I C 2.037 178.245 176.117 0.150 0.000 0.635 343 I CA 1.594 63.050 61.300 0.260 0.000 0.204 343 I CB -1.289 36.773 38.000 0.103 0.000 0.319 343 I HN 0.486 nan 8.210 nan 0.000 0.150 344 S N 1.387 117.120 115.700 0.055 0.000 2.447 344 S HA 0.090 4.560 4.470 -0.000 0.000 0.233 344 S C 1.635 176.252 174.600 0.029 0.000 1.006 344 S CA 1.010 59.218 58.200 0.013 0.000 0.957 344 S CB -0.232 62.967 63.200 -0.000 0.000 0.773 344 S HN 0.842 nan 8.310 nan 0.000 0.507 345 A N 0.089 122.934 122.820 0.042 0.000 2.178 345 A HA 0.183 4.503 4.320 -0.000 0.000 0.211 345 A C 2.252 179.905 177.584 0.115 0.000 1.157 345 A CA 0.541 52.627 52.037 0.081 0.000 0.780 345 A CB -1.318 17.751 19.000 0.115 0.000 0.828 345 A HN 0.636 nan 8.150 nan 0.000 0.476 346 C N -0.148 119.188 119.300 0.061 0.000 2.388 346 C HA -0.172 4.288 4.460 -0.000 0.000 0.277 346 C C 2.811 177.887 174.990 0.143 0.000 1.210 346 C CA 1.955 60.994 59.018 0.035 0.000 1.743 346 C CB -1.204 26.603 27.740 0.112 0.000 2.047 346 C HN 0.720 nan 8.230 nan 0.000 0.458 347 V N 0.238 120.264 119.914 0.187 0.000 2.720 347 V HA -0.128 3.992 4.120 -0.000 0.000 0.256 347 V C 2.028 178.186 176.094 0.107 0.000 1.082 347 V CA 2.123 64.504 62.300 0.135 0.000 1.101 347 V CB -1.090 30.786 31.823 0.088 0.000 0.693 347 V HN 0.649 nan 8.190 nan 0.000 0.479 348 L N -1.911 119.387 121.223 0.125 0.000 2.156 348 L HA 0.059 4.399 4.340 -0.000 0.000 0.208 348 L C 2.523 179.464 176.870 0.119 0.000 1.095 348 L CA 1.205 56.098 54.840 0.087 0.000 0.770 348 L CB -0.697 41.394 42.059 0.054 0.000 0.914 348 L HN 0.226 nan 8.230 nan 0.000 0.439 349 F N 0.597 120.509 119.950 -0.064 0.000 2.161 349 F HA -0.194 4.333 4.527 -0.000 0.000 0.300 349 F C 2.313 178.108 175.800 -0.008 0.000 1.089 349 F CA 1.356 59.302 58.000 -0.091 0.000 1.282 349 F CB -0.479 38.395 39.000 -0.211 0.000 1.010 349 F HN -0.049 nan 8.300 nan 0.000 0.485 350 I N -0.712 119.984 120.570 0.209 0.000 2.439 350 I HA -0.249 3.921 4.170 -0.000 0.000 0.251 350 I C 2.216 178.390 176.117 0.094 0.000 1.139 350 I CA 0.845 62.239 61.300 0.156 0.000 1.438 350 I CB -0.410 37.675 38.000 0.142 0.000 1.085 350 I HN 0.040 nan 8.210 nan 0.000 0.427 351 I N 0.822 121.426 120.570 0.056 0.000 2.163 351 I HA -0.339 3.831 4.170 -0.000 0.000 0.243 351 I C 2.260 178.443 176.117 0.109 0.000 1.085 351 I CA 1.646 62.966 61.300 0.033 0.000 1.347 351 I CB -0.481 37.516 38.000 -0.004 0.000 1.044 351 I HN 0.246 nan 8.210 nan 0.000 0.408 352 D N 0.670 121.105 120.400 0.057 0.000 2.117 352 D HA -0.240 4.400 4.640 -0.000 0.000 0.197 352 D C 2.010 178.326 176.300 0.026 0.000 0.987 352 D CA 1.288 55.299 54.000 0.018 0.000 0.829 352 D CB 0.000 40.751 40.800 -0.082 0.000 0.961 352 D HN 0.197 nan 8.370 nan 0.000 0.460 353 E N -0.022 120.209 120.200 0.052 0.000 2.049 353 E HA -0.148 4.202 4.350 -0.000 0.000 0.198 353 E C 2.127 178.734 176.600 0.012 0.000 1.007 353 E CA 1.284 57.709 56.400 0.042 0.000 0.809 353 E CB -0.584 29.181 29.700 0.109 0.000 0.749 353 E HN 0.176 nan 8.360 nan 0.000 0.450 354 V N 1.228 121.167 119.914 0.042 0.000 2.255 354 V HA -0.327 3.793 4.120 -0.000 0.000 0.247 354 V C 2.551 178.653 176.094 0.014 0.000 1.051 354 V CA 2.654 64.968 62.300 0.023 0.000 1.018 354 V CB -0.792 31.042 31.823 0.018 0.000 0.641 354 V HN 0.414 nan 8.190 nan 0.000 0.445 355 R N 0.971 121.513 120.500 0.070 0.000 2.090 355 R HA -0.088 4.252 4.340 -0.000 0.000 0.228 355 R C 2.059 178.322 176.300 -0.063 0.000 1.110 355 R CA 1.503 57.585 56.100 -0.030 0.000 0.973 355 R CB -0.623 29.625 30.300 -0.086 0.000 0.869 355 R HN 0.351 nan 8.270 nan 0.000 0.440 356 K N -0.134 120.244 120.400 -0.038 0.000 2.103 356 K HA -0.015 4.305 4.320 -0.000 0.000 0.204 356 K C 2.230 178.800 176.600 -0.050 0.000 1.052 356 K CA 1.041 57.301 56.287 -0.045 0.000 0.945 356 K CB -0.041 32.440 32.500 -0.033 0.000 0.722 356 K HN -0.026 nan 8.250 nan 0.000 0.443 357 R N 0.907 121.374 120.500 -0.054 0.000 2.115 357 R HA 0.008 4.348 4.340 -0.000 0.000 0.230 357 R C 2.004 178.274 176.300 -0.050 0.000 1.111 357 R CA 1.470 57.535 56.100 -0.059 0.000 0.976 357 R CB -0.469 29.788 30.300 -0.071 0.000 0.870 357 R HN 0.027 nan 8.270 nan 0.000 0.445 358 S N -0.106 115.558 115.700 -0.058 0.000 2.355 358 S HA -0.090 4.380 4.470 -0.000 0.000 0.222 358 S C 1.894 176.456 174.600 -0.064 0.000 1.031 358 S CA 1.475 59.635 58.200 -0.066 0.000 0.993 358 S CB -0.160 62.981 63.200 -0.098 0.000 0.859 358 S HN 0.279 nan 8.310 nan 0.000 0.453 359 M N 1.089 120.646 119.600 -0.072 0.000 2.159 359 M HA -0.091 4.388 4.480 -0.000 0.000 0.263 359 M C 2.418 178.690 176.300 -0.046 0.000 1.063 359 M CA 1.371 56.633 55.300 -0.064 0.000 1.110 359 M CB -0.471 32.087 32.600 -0.071 0.000 1.374 359 M HN 0.409 nan 8.290 nan 0.000 0.411 360 A N 0.018 122.813 122.820 -0.041 0.000 1.930 360 A HA -0.149 4.171 4.320 -0.000 0.000 0.217 360 A C 1.793 179.362 177.584 -0.025 0.000 1.175 360 A CA 1.498 53.517 52.037 -0.031 0.000 0.627 360 A CB -0.545 18.437 19.000 -0.029 0.000 0.815 360 A HN 0.527 nan 8.150 nan 0.000 0.443 361 E N -1.344 118.840 120.200 -0.026 0.000 2.502 361 E HA 0.250 4.600 4.350 -0.000 0.000 0.194 361 E C 0.928 177.517 176.600 -0.018 0.000 1.062 361 E CA 0.216 56.605 56.400 -0.018 0.000 0.867 361 E CB -0.111 29.580 29.700 -0.015 0.000 0.888 361 E HN 0.718 nan 8.360 nan 0.000 0.510 362 G N 2.383 111.169 108.800 -0.024 0.000 2.198 362 G HA2 -0.253 3.707 3.960 -0.000 0.000 0.257 362 G HA3 -0.253 3.707 3.960 -0.000 0.000 0.257 362 G C 0.026 174.911 174.900 -0.024 0.000 1.042 362 G CA -0.059 45.027 45.100 -0.024 0.000 0.791 362 G HN -0.030 nan 8.290 nan 0.000 0.502 363 K N 0.571 120.952 120.400 -0.030 0.000 2.414 363 K HA 0.296 4.616 4.320 -0.000 0.000 0.272 363 K C 1.865 178.445 176.600 -0.034 0.000 0.993 363 K CA 0.488 56.757 56.287 -0.029 0.000 0.964 363 K CB 0.908 33.385 32.500 -0.038 0.000 0.925 363 K HN 0.526 nan 8.250 nan 0.000 0.487 364 S N -0.588 115.098 115.700 -0.023 0.000 2.515 364 S HA -0.065 4.405 4.470 -0.000 0.000 0.231 364 S C 0.947 175.527 174.600 -0.034 0.000 0.987 364 S CA 0.557 58.743 58.200 -0.023 0.000 0.936 364 S CB -0.331 62.864 63.200 -0.008 0.000 0.766 364 S HN 0.727 nan 8.310 nan 0.000 0.528 365 T N -3.344 111.183 114.554 -0.045 0.000 2.883 365 T HA 0.468 4.818 4.350 -0.000 0.000 0.296 365 T C 0.524 175.147 174.700 -0.128 0.000 1.117 365 T CA -0.120 61.938 62.100 -0.070 0.000 1.006 365 T CB 1.338 70.189 68.868 -0.027 0.000 1.191 365 T HN -0.109 nan 8.240 nan 0.000 0.508 366 T N 0.115 114.546 114.554 -0.205 0.000 3.035 366 T HA 0.216 4.566 4.350 -0.000 0.000 0.268 366 T C 1.178 175.707 174.700 -0.284 0.000 1.109 366 T CA 1.028 62.936 62.100 -0.320 0.000 1.119 366 T CB -0.995 67.525 68.868 -0.579 0.000 0.900 366 T HN 0.920 nan 8.240 nan 0.000 0.503 367 G N 0.819 109.430 108.800 -0.315 0.000 4.232 367 G HA2 0.411 4.371 3.960 -0.000 0.000 0.304 367 G HA3 0.411 4.371 3.960 -0.000 0.000 0.304 367 G C -0.111 174.481 174.900 -0.513 0.000 1.295 367 G CA -0.451 44.126 45.100 -0.873 0.000 1.398 367 G HN 0.537 nan 8.290 nan 0.000 0.571 368 E N -0.518 119.529 120.200 -0.256 0.000 2.722 368 E HA -0.301 4.048 4.350 -0.000 0.000 0.265 368 E C 1.539 178.131 176.600 -0.014 0.000 1.081 368 E CA 0.669 57.021 56.400 -0.079 0.000 0.781 368 E CB -1.374 28.323 29.700 -0.006 0.000 1.372 368 E HN 1.421 nan 8.360 nan 0.000 0.423 369 G N -1.271 107.509 108.800 -0.033 0.000 2.179 369 G HA2 -0.303 3.657 3.960 -0.000 0.000 0.260 369 G HA3 -0.303 3.657 3.960 -0.000 0.000 0.260 369 G C 0.096 175.031 174.900 0.060 0.000 0.977 369 G CA 0.425 45.531 45.100 0.010 0.000 0.641 369 G HN 0.149 nan 8.290 nan 0.000 0.533 370 L N 0.655 121.947 121.223 0.116 0.000 2.387 370 L HA 0.630 4.970 4.340 -0.000 0.000 0.266 370 L C 1.162 178.205 176.870 0.287 0.000 1.059 370 L CA -0.443 54.531 54.840 0.223 0.000 0.801 370 L CB 1.168 43.444 42.059 0.361 0.000 1.223 370 L HN 0.002 nan 8.230 nan 0.000 0.456 371 D N -0.600 119.935 120.400 0.225 0.000 2.202 371 D HA 0.044 4.684 4.640 -0.000 0.000 0.214 371 D C 0.150 176.578 176.300 0.213 0.000 0.967 371 D CA 0.975 55.087 54.000 0.187 0.000 0.871 371 D CB 0.291 41.142 40.800 0.084 0.000 1.020 371 D HN 0.382 nan 8.370 nan 0.000 0.474 372 C N 0.050 119.355 119.300 0.009 0.000 2.454 372 C HA 0.849 5.309 4.460 -0.000 0.000 0.336 372 C C 0.667 175.043 174.990 -1.024 0.000 1.189 372 C CA -0.458 58.387 59.018 -0.288 0.000 1.877 372 C CB 1.370 28.961 27.740 -0.250 0.000 2.348 372 C HN 0.338 nan 8.230 nan 0.000 0.508 373 G N 0.716 108.680 108.800 -1.392 0.000 2.690 373 G HA2 0.665 4.625 3.960 -0.000 0.000 0.291 373 G HA3 0.665 4.625 3.960 -0.000 0.000 0.291 373 G C -1.951 172.239 174.900 -1.184 0.000 1.403 373 G CA -0.245 43.596 45.100 -2.097 0.000 0.864 373 G HN 0.638 nan 8.290 nan 0.000 0.480 374 V N 1.030 120.245 119.914 -1.164 0.000 2.540 374 V HA 0.628 4.748 4.120 -0.000 0.000 0.302 374 V C -0.598 175.072 176.094 -0.707 0.000 1.035 374 V CA -0.792 60.944 62.300 -0.940 0.000 0.873 374 V CB 1.445 32.557 31.823 -1.185 0.000 0.992 374 V HN 0.903 nan 8.190 nan 0.000 0.428 375 L N 3.971 124.844 121.223 -0.584 0.000 2.329 375 L HA 0.811 5.151 4.340 -0.000 0.000 0.279 375 L C -1.412 175.175 176.870 -0.471 0.000 1.014 375 L CA -0.321 54.279 54.840 -0.400 0.000 0.814 375 L CB 1.164 43.073 42.059 -0.249 0.000 1.257 375 L HN 0.363 nan 8.230 nan 0.000 0.424 376 F N 2.509 122.367 119.950 -0.152 0.000 2.467 376 F HA 0.790 5.317 4.527 -0.000 0.000 0.336 376 F C 0.881 176.313 175.800 -0.613 0.000 1.123 376 F CA -0.586 57.186 58.000 -0.379 0.000 0.964 376 F CB 2.122 40.874 39.000 -0.413 0.000 1.136 376 F HN 0.784 nan 8.300 nan 0.000 0.447 377 G N 2.666 111.206 108.800 -0.432 0.000 2.379 377 G HA2 0.627 4.586 3.960 -0.000 0.000 0.327 377 G HA3 0.627 4.586 3.960 -0.000 0.000 0.327 377 G C -1.745 172.795 174.900 -0.600 0.000 1.145 377 G CA -0.381 44.432 45.100 -0.478 0.000 0.905 377 G HN 0.316 nan 8.290 nan 0.000 0.466 378 F N 1.251 121.184 119.950 -0.028 0.000 2.499 378 F HA 0.711 5.238 4.527 -0.000 0.000 0.333 378 F C 0.642 176.424 175.800 -0.029 0.000 1.138 378 F CA -0.933 57.069 58.000 0.004 0.000 0.945 378 F CB 2.332 41.373 39.000 0.068 0.000 1.181 378 F HN 0.715 nan 8.300 nan 0.000 0.435 379 G N 1.840 110.726 108.800 0.144 0.000 2.949 379 G HA2 0.718 4.677 3.960 -0.000 0.000 0.285 379 G HA3 0.718 4.677 3.960 -0.000 0.000 0.285 379 G C -3.271 171.678 174.900 0.082 0.000 1.395 379 G CA -2.273 42.880 45.100 0.089 0.000 0.901 379 G HN 0.200 nan 8.290 nan 0.000 0.519 380 P HA 0.294 nan 4.420 nan 0.000 0.266 380 P C 0.811 178.131 177.300 0.033 0.000 1.193 380 P CA 1.589 64.710 63.100 0.036 0.000 0.770 380 P CB 1.219 32.934 31.700 0.026 0.000 0.836 381 G N 1.619 110.433 108.800 0.022 0.000 4.220 381 G HA2 -0.145 3.815 3.960 -0.000 0.000 0.197 381 G HA3 -0.145 3.815 3.960 -0.000 0.000 0.197 381 G C -0.032 174.872 174.900 0.007 0.000 1.518 381 G CA -0.265 44.847 45.100 0.019 0.000 0.955 381 G HN 0.565 nan 8.290 nan 0.000 0.353 382 M N 2.937 122.540 119.600 0.005 0.000 2.228 382 M HA 0.514 4.994 4.480 -0.000 0.000 0.351 382 M C -0.367 175.960 176.300 0.045 0.000 1.233 382 M CA 0.626 55.942 55.300 0.026 0.000 1.129 382 M CB 0.800 33.409 32.600 0.016 0.000 1.604 382 M HN 0.267 nan 8.290 nan 0.000 0.457 383 T N 4.081 118.676 114.554 0.068 0.000 2.867 383 T HA 0.477 4.827 4.350 -0.000 0.000 0.282 383 T C -1.073 173.701 174.700 0.124 0.000 1.000 383 T CA -0.612 61.532 62.100 0.072 0.000 1.042 383 T CB 1.679 70.576 68.868 0.048 0.000 0.973 383 T HN 0.576 nan 8.240 nan 0.000 0.465 384 V N 3.439 123.424 119.914 0.118 0.000 2.448 384 V HA 0.444 4.564 4.120 -0.000 0.000 0.295 384 V C -0.793 175.344 176.094 0.071 0.000 1.025 384 V CA -0.654 61.735 62.300 0.149 0.000 0.859 384 V CB 1.476 33.425 31.823 0.211 0.000 0.988 384 V HN 0.837 nan 8.190 nan 0.000 0.431 385 E N 4.055 124.260 120.200 0.007 0.000 2.151 385 E HA 0.431 4.781 4.350 -0.000 0.000 0.275 385 E C -0.896 175.715 176.600 0.017 0.000 0.936 385 E CA -0.412 55.982 56.400 -0.010 0.000 0.777 385 E CB 1.971 31.636 29.700 -0.059 0.000 1.108 385 E HN 0.670 nan 8.360 nan 0.000 0.401 386 T N 1.821 116.386 114.554 0.019 0.000 2.809 386 T HA 0.303 4.652 4.350 -0.000 0.000 0.296 386 T C -0.402 174.216 174.700 -0.136 0.000 1.015 386 T CA -0.599 61.486 62.100 -0.024 0.000 0.954 386 T CB 0.987 69.903 68.868 0.081 0.000 0.950 386 T HN 0.299 nan 8.240 nan 0.000 0.450 387 V N 3.306 123.083 119.914 -0.228 0.000 2.604 387 V HA 0.796 4.916 4.120 -0.000 0.000 0.305 387 V C -0.699 175.218 176.094 -0.296 0.000 1.043 387 V CA -0.651 61.521 62.300 -0.214 0.000 0.888 387 V CB 1.730 33.450 31.823 -0.173 0.000 0.995 387 V HN 0.579 nan 8.190 nan 0.000 0.429 388 V N 7.348 127.110 119.914 -0.253 0.000 2.407 388 V HA 0.476 4.596 4.120 -0.000 0.000 0.278 388 V C 0.127 176.080 176.094 -0.236 0.000 1.037 388 V CA -0.392 61.731 62.300 -0.296 0.000 0.900 388 V CB 1.161 32.836 31.823 -0.246 0.000 0.983 388 V HN 0.802 nan 8.190 nan 0.000 0.459 389 L N 5.295 126.346 121.223 -0.287 0.000 2.329 389 L HA 0.633 4.973 4.340 -0.000 0.000 0.279 389 L C 0.074 176.921 176.870 -0.039 0.000 1.014 389 L CA -0.628 54.117 54.840 -0.158 0.000 0.814 389 L CB 2.002 43.904 42.059 -0.260 0.000 1.257 389 L HN 0.563 nan 8.230 nan 0.000 0.424 390 R N 1.724 122.291 120.500 0.113 0.000 2.255 390 R HA 0.353 4.693 4.340 -0.000 0.000 0.326 390 R C 0.094 176.630 176.300 0.394 0.000 0.986 390 R CA -0.325 55.887 56.100 0.186 0.000 0.847 390 R CB 1.515 31.865 30.300 0.083 0.000 1.111 390 R HN 0.824 nan 8.270 nan 0.000 0.452 391 S N 2.056 118.046 115.700 0.483 0.000 2.608 391 S HA 0.277 4.747 4.470 -0.000 0.000 0.261 391 S C 0.071 174.710 174.600 0.065 0.000 1.314 391 S CA -0.725 57.677 58.200 0.336 0.000 0.992 391 S CB 1.332 64.688 63.200 0.259 0.000 0.935 391 S HN 0.280 nan 8.310 nan 0.000 0.564 392 V N 1.140 120.988 119.914 -0.110 0.000 2.715 392 V HA 0.501 4.621 4.120 -0.000 0.000 0.310 392 V C 0.455 176.492 176.094 -0.096 0.000 1.054 392 V CA -1.017 61.222 62.300 -0.102 0.000 0.928 392 V CB 1.708 33.441 31.823 -0.150 0.000 1.007 392 V HN 0.912 nan 8.190 nan 0.000 0.437 393 R N 1.848 122.313 120.500 -0.059 0.000 2.389 393 R HA 0.373 4.713 4.340 -0.000 0.000 0.295 393 R C -0.969 175.292 176.300 -0.064 0.000 1.075 393 R CA -0.296 55.774 56.100 -0.050 0.000 1.005 393 R CB 1.123 31.406 30.300 -0.028 0.000 0.987 393 R HN 0.575 nan 8.270 nan 0.000 0.452 394 V N 5.813 125.688 119.914 -0.066 0.000 2.387 394 V HA 0.061 4.181 4.120 -0.000 0.000 0.260 394 V C 0.591 176.659 176.094 -0.044 0.000 1.054 394 V CA -0.100 62.162 62.300 -0.064 0.000 0.967 394 V CB 0.374 32.157 31.823 -0.067 0.000 1.036 394 V HN 1.052 nan 8.190 nan 0.000 0.481 395 T N 0.000 114.530 114.554 -0.040 0.000 3.816 395 T HA 0.000 4.350 4.350 -0.000 0.000 0.228 395 T CA 0.000 62.083 62.100 -0.029 0.000 1.349 395 T CB 0.000 68.853 68.868 -0.026 0.000 0.612 395 T HN 0.000 nan 8.240 nan 0.000 0.658