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 2prr_1_D DATA FIRST_RESID 3 DATA SEQUENCE RPAHPISRYP VPELAALPDD IRQRILEVQD KAGFVPNVFL TLAHRPDEFR DATA SEQUENCE AFFAYHDALX LKDGGLTKGE REXIVVATSA ANQCLYCVVA HGAILRIYEK DATA SEQUENCE KPLVADQVAV NYLKADIPPR QRAXLDFALK VCKASHEVNE ADFEALREHG DATA SEQUENCE FTDEDAWDIA AITAFFGLSN RXANTIGXRP NDEFFLXGRV P 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 3 R HA 0.000 nan 4.340 nan 0.000 0.208 3 R C 0.000 176.271 176.300 -0.048 0.000 0.893 3 R CA 0.000 56.075 56.100 -0.041 0.000 0.921 3 R CB 0.000 30.282 30.300 -0.030 0.000 0.687 4 P HA 0.681 nan 4.420 nan 0.000 0.281 4 P C 0.104 177.341 177.300 -0.105 0.000 1.252 4 P CA -0.123 62.934 63.100 -0.072 0.000 0.778 4 P CB 1.717 33.371 31.700 -0.076 0.000 0.895 5 A N 3.455 126.243 122.820 -0.054 0.000 2.445 5 A HA 0.134 4.451 4.320 -0.004 0.000 0.242 5 A C 0.512 178.069 177.584 -0.044 0.000 1.075 5 A CA -0.276 51.750 52.037 -0.019 0.000 0.777 5 A CB -0.234 18.786 19.000 0.033 0.000 1.013 5 A HN 0.683 nan 8.150 nan 0.000 0.493 6 H N 1.628 120.707 119.070 0.014 0.000 2.690 6 H HA 0.197 4.751 4.556 -0.004 0.000 0.365 6 H C -1.799 173.549 175.328 0.034 0.000 1.142 6 H CA -0.657 55.403 56.048 0.020 0.000 1.417 6 H CB 0.201 29.978 29.762 0.024 0.000 1.446 6 H HN 0.539 nan 8.280 nan 0.000 0.599 7 P HA 0.007 nan 4.420 nan 0.000 0.269 7 P C 1.022 178.395 177.300 0.121 0.000 1.209 7 P CA 0.054 63.216 63.100 0.103 0.000 0.776 7 P CB 0.648 32.388 31.700 0.068 0.000 0.876 8 I N -1.571 119.063 120.570 0.107 0.000 3.968 8 I HA 0.256 4.424 4.170 -0.004 0.000 0.328 8 I C 0.471 176.644 176.117 0.093 0.000 1.290 8 I CA 0.066 61.438 61.300 0.121 0.000 1.163 8 I CB 0.303 38.387 38.000 0.140 0.000 1.024 8 I HN 0.221 nan 8.210 nan 0.000 0.413 9 S N 1.041 116.784 115.700 0.072 0.000 2.565 9 S HA 0.397 4.864 4.470 -0.004 0.000 0.269 9 S C 0.503 175.127 174.600 0.040 0.000 1.153 9 S CA -0.834 57.406 58.200 0.067 0.000 0.835 9 S CB 1.586 64.828 63.200 0.069 0.000 1.122 9 S HN 0.477 nan 8.310 nan 0.000 0.462 10 R N 0.993 121.513 120.500 0.033 0.000 2.275 10 R HA 0.198 4.536 4.340 -0.004 0.000 0.199 10 R C -0.426 175.719 176.300 -0.258 0.000 0.989 10 R CA 0.379 56.419 56.100 -0.099 0.000 1.016 10 R CB -0.297 29.917 30.300 -0.143 0.000 0.918 10 R HN 0.501 nan 8.270 nan 0.000 0.473 11 Y N 1.442 121.667 120.300 -0.124 0.000 2.453 11 Y HA 0.423 4.971 4.550 -0.005 0.000 0.326 11 Y C -1.974 173.780 175.900 -0.243 0.000 1.186 11 Y CA -3.102 54.852 58.100 -0.243 0.000 1.200 11 Y CB 0.782 39.002 38.460 -0.400 0.000 1.247 11 Y HN -0.089 nan 8.280 nan 0.000 0.482 12 P HA 0.052 nan 4.420 nan 0.000 0.267 12 P C -1.241 176.062 177.300 0.004 0.000 1.200 12 P CA 0.022 63.096 63.100 -0.043 0.000 0.772 12 P CB 0.470 32.197 31.700 0.044 0.000 0.855 13 V N 4.988 124.934 119.914 0.054 0.000 2.384 13 V HA 0.338 4.456 4.120 -0.004 0.000 0.287 13 V C -1.634 174.511 176.094 0.085 0.000 1.020 13 V CA -1.558 60.790 62.300 0.079 0.000 0.850 13 V CB 1.075 32.941 31.823 0.070 0.000 0.987 13 V HN 0.627 nan 8.190 nan 0.000 0.436 14 P HA 0.303 nan 4.420 nan 0.000 0.274 14 P C -0.498 176.827 177.300 0.042 0.000 1.237 14 P CA -0.478 62.661 63.100 0.065 0.000 0.793 14 P CB 1.025 32.754 31.700 0.048 0.000 0.977 15 E N 0.923 121.140 120.200 0.027 0.000 2.338 15 E HA 0.017 4.365 4.350 -0.004 0.000 0.272 15 E C 1.016 177.618 176.600 0.003 0.000 1.029 15 E CA -0.476 55.934 56.400 0.018 0.000 0.872 15 E CB 1.025 30.733 29.700 0.013 0.000 1.015 15 E HN 0.357 nan 8.360 nan 0.000 0.417 16 L N 3.971 125.195 121.223 0.001 0.000 2.081 16 L HA -0.247 4.090 4.340 -0.004 0.000 0.212 16 L C 1.951 178.807 176.870 -0.023 0.000 1.080 16 L CA 2.526 57.357 54.840 -0.015 0.000 0.754 16 L CB -0.743 41.309 42.059 -0.012 0.000 0.893 16 L HN 0.677 nan 8.230 nan 0.000 0.433 17 A N -0.613 122.199 122.820 -0.014 0.000 1.933 17 A HA -0.009 4.308 4.320 -0.004 0.000 0.218 17 A C 2.143 179.717 177.584 -0.018 0.000 1.175 17 A CA 1.363 53.391 52.037 -0.015 0.000 0.628 17 A CB -1.036 17.959 19.000 -0.008 0.000 0.814 17 A HN 0.532 nan 8.150 nan 0.000 0.444 18 A N -0.861 121.950 122.820 -0.015 0.000 2.268 18 A HA 0.527 4.844 4.320 -0.004 0.000 0.221 18 A C 0.430 177.995 177.584 -0.031 0.000 1.287 18 A CA -0.003 52.024 52.037 -0.016 0.000 0.902 18 A CB -0.564 18.433 19.000 -0.006 0.000 0.877 18 A HN 0.408 nan 8.150 nan 0.000 0.487 19 L N -0.451 120.745 121.223 -0.045 0.000 2.333 19 L HA 0.423 4.761 4.340 -0.004 0.000 0.269 19 L C -2.461 174.368 176.870 -0.069 0.000 1.010 19 L CA -2.652 52.145 54.840 -0.073 0.000 0.818 19 L CB 1.881 43.874 42.059 -0.109 0.000 1.306 19 L HN -0.054 nan 8.230 nan 0.000 0.430 20 P HA -0.039 nan 4.420 nan 0.000 0.264 20 P C -0.289 176.978 177.300 -0.055 0.000 1.179 20 P CA 0.065 63.131 63.100 -0.056 0.000 0.763 20 P CB 0.495 32.160 31.700 -0.058 0.000 0.806 21 D N 1.893 122.274 120.400 -0.032 0.000 2.178 21 D HA -0.168 4.470 4.640 -0.004 0.000 0.201 21 D C 1.331 177.621 176.300 -0.018 0.000 0.980 21 D CA 1.320 55.305 54.000 -0.025 0.000 0.842 21 D CB -0.346 40.446 40.800 -0.014 0.000 0.948 21 D HN 0.546 nan 8.370 nan 0.000 0.472 22 D N 1.097 121.494 120.400 -0.004 0.000 2.117 22 D HA -0.161 4.477 4.640 -0.004 0.000 0.197 22 D C 2.277 178.597 176.300 0.034 0.000 0.987 22 D CA 0.574 54.590 54.000 0.025 0.000 0.829 22 D CB -0.773 40.057 40.800 0.051 0.000 0.961 22 D HN 0.274 nan 8.370 nan 0.000 0.460 23 I N 0.476 121.033 120.570 -0.021 0.000 2.163 23 I HA -0.190 3.977 4.170 -0.004 0.000 0.240 23 I C 2.884 178.938 176.117 -0.106 0.000 1.081 23 I CA 0.883 62.109 61.300 -0.124 0.000 1.353 23 I CB -0.220 37.514 38.000 -0.444 0.000 1.054 23 I HN -0.121 nan 8.210 nan 0.000 0.407 24 R N 0.123 120.563 120.500 -0.101 0.000 2.117 24 R HA -0.241 4.096 4.340 -0.004 0.000 0.243 24 R C 2.408 178.671 176.300 -0.060 0.000 1.143 24 R CA 1.878 57.932 56.100 -0.078 0.000 0.968 24 R CB -0.610 29.654 30.300 -0.059 0.000 0.863 24 R HN 0.347 nan 8.270 nan 0.000 0.444 25 Q N 0.912 120.689 119.800 -0.038 0.000 2.123 25 Q HA -0.117 4.220 4.340 -0.004 0.000 0.199 25 Q C 2.086 178.057 176.000 -0.047 0.000 0.966 25 Q CA 1.562 57.346 55.803 -0.033 0.000 0.845 25 Q CB -0.197 28.534 28.738 -0.011 0.000 0.907 25 Q HN 0.479 nan 8.270 nan 0.000 0.439 26 R N -0.508 119.977 120.500 -0.024 0.000 2.075 26 R HA -0.005 4.332 4.340 -0.004 0.000 0.232 26 R C 2.383 178.542 176.300 -0.234 0.000 1.126 26 R CA 1.745 57.811 56.100 -0.057 0.000 0.963 26 R CB -0.418 29.925 30.300 0.073 0.000 0.858 26 R HN 0.544 nan 8.270 nan 0.000 0.435 27 I N 0.915 121.360 120.570 -0.209 0.000 2.226 27 I HA -0.300 3.868 4.170 -0.004 0.000 0.245 27 I C 2.190 178.146 176.117 -0.268 0.000 1.100 27 I CA 1.163 62.265 61.300 -0.330 0.000 1.374 27 I CB -0.172 37.736 38.000 -0.152 0.000 1.057 27 I HN 0.232 nan 8.210 nan 0.000 0.413 28 L N 0.331 121.458 121.223 -0.161 0.000 2.093 28 L HA -0.196 4.141 4.340 -0.004 0.000 0.208 28 L C 2.813 179.608 176.870 -0.126 0.000 1.085 28 L CA 1.284 56.052 54.840 -0.120 0.000 0.755 28 L CB -0.522 41.492 42.059 -0.074 0.000 0.904 28 L HN 0.190 nan 8.230 nan 0.000 0.435 29 E N -0.446 119.675 120.200 -0.131 0.000 2.077 29 E HA -0.201 4.146 4.350 -0.004 0.000 0.193 29 E C 2.128 178.644 176.600 -0.140 0.000 0.989 29 E CA 1.331 57.667 56.400 -0.105 0.000 0.800 29 E CB -0.313 29.341 29.700 -0.076 0.000 0.746 29 E HN 0.379 nan 8.360 nan 0.000 0.452 30 V N 0.252 120.013 119.914 -0.255 0.000 2.453 30 V HA -0.141 3.976 4.120 -0.004 0.000 0.247 30 V C 2.599 178.533 176.094 -0.267 0.000 1.048 30 V CA 2.674 64.794 62.300 -0.301 0.000 1.049 30 V CB -0.305 31.154 31.823 -0.607 0.000 0.672 30 V HN 0.583 nan 8.190 nan 0.000 0.457 31 Q N 0.203 119.854 119.800 -0.249 0.000 2.016 31 Q HA -0.204 4.134 4.340 -0.004 0.000 0.200 31 Q C 1.932 177.868 176.000 -0.106 0.000 0.978 31 Q CA 2.378 58.075 55.803 -0.177 0.000 0.833 31 Q CB -0.374 28.289 28.738 -0.124 0.000 0.895 31 Q HN 0.708 nan 8.270 nan 0.000 0.427 32 D N -0.718 119.632 120.400 -0.084 0.000 2.384 32 D HA -0.071 4.566 4.640 -0.004 0.000 0.222 32 D C 1.507 177.788 176.300 -0.033 0.000 0.976 32 D CA 1.225 55.198 54.000 -0.046 0.000 0.915 32 D CB -0.033 40.744 40.800 -0.038 0.000 0.896 32 D HN 0.558 nan 8.370 nan 0.000 0.523 33 K N -1.063 119.306 120.400 -0.050 0.000 2.412 33 K HA 0.696 5.013 4.320 -0.004 0.000 0.202 33 K C 1.550 178.137 176.600 -0.021 0.000 1.102 33 K CA 0.579 56.853 56.287 -0.023 0.000 1.027 33 K CB 0.486 32.977 32.500 -0.015 0.000 0.931 33 K HN 0.325 nan 8.250 nan 0.000 0.557 34 A N -1.380 121.396 122.820 -0.073 0.000 2.226 34 A HA 0.522 4.840 4.320 -0.004 0.000 0.207 34 A C 1.921 179.537 177.584 0.052 0.000 1.293 34 A CA 1.266 53.253 52.037 -0.083 0.000 0.968 34 A CB 0.313 19.085 19.000 -0.379 0.000 1.044 34 A HN 1.435 nan 8.150 nan 0.000 0.493 35 G N -1.370 107.450 108.800 0.034 0.000 2.175 35 G HA2 -0.140 3.818 3.960 -0.004 0.000 0.244 35 G HA3 -0.140 3.818 3.960 -0.004 0.000 0.244 35 G C 0.101 175.139 174.900 0.230 0.000 0.982 35 G CA 0.609 45.787 45.100 0.130 0.000 0.641 35 G HN 1.826 nan 8.290 nan 0.000 0.527 36 F N -2.136 117.789 119.950 -0.042 0.000 2.741 36 F HA 0.693 5.217 4.527 -0.004 0.000 0.311 36 F C -0.912 174.875 175.800 -0.021 0.000 1.149 36 F CA -1.824 56.152 58.000 -0.039 0.000 0.930 36 F CB 1.044 40.001 39.000 -0.072 0.000 1.312 36 F HN 0.232 nan 8.300 nan 0.000 0.450 37 V N 2.934 122.841 119.914 -0.012 0.000 2.333 37 V HA 0.419 4.537 4.120 -0.004 0.000 0.274 37 V C -2.200 173.988 176.094 0.156 0.000 1.028 37 V CA -1.882 60.378 62.300 -0.067 0.000 0.851 37 V CB 0.914 32.748 31.823 0.019 0.000 1.000 37 V HN 0.583 nan 8.190 nan 0.000 0.456 38 P HA 0.045 nan 4.420 nan 0.000 0.264 38 P C 0.580 178.236 177.300 0.593 0.000 1.179 38 P CA 0.240 63.680 63.100 0.566 0.000 0.763 38 P CB 0.482 32.618 31.700 0.726 0.000 0.806 39 N N 1.687 120.749 118.700 0.603 0.000 2.453 39 N HA -0.099 4.638 4.740 -0.004 0.000 0.183 39 N C 1.663 177.263 175.510 0.151 0.000 1.041 39 N CA 0.468 53.742 53.050 0.373 0.000 0.900 39 N CB -0.588 38.118 38.487 0.365 0.000 0.961 39 N HN 0.187 nan 8.380 nan 0.000 0.443 40 V N 0.163 120.080 119.914 0.004 0.000 2.407 40 V HA -0.204 3.913 4.120 -0.004 0.000 0.248 40 V C 1.572 177.639 176.094 -0.045 0.000 1.055 40 V CA 1.490 63.606 62.300 -0.306 0.000 1.049 40 V CB -0.455 31.101 31.823 -0.446 0.000 0.662 40 V HN 0.048 nan 8.190 nan 0.000 0.455 41 F N -0.144 119.954 119.950 0.247 0.000 2.146 41 F HA -0.065 4.460 4.527 -0.004 0.000 0.298 41 F C 2.098 178.105 175.800 0.345 0.000 1.096 41 F CA 1.824 60.035 58.000 0.351 0.000 1.275 41 F CB -0.511 38.593 39.000 0.172 0.000 1.008 41 F HN 0.112 nan 8.300 nan 0.000 0.480 42 L N -0.464 120.989 121.223 0.384 0.000 2.109 42 L HA -0.139 4.199 4.340 -0.004 0.000 0.207 42 L C 2.609 179.585 176.870 0.177 0.000 1.086 42 L CA 1.639 56.622 54.840 0.238 0.000 0.760 42 L CB -1.149 41.024 42.059 0.190 0.000 0.910 42 L HN 0.274 nan 8.230 nan 0.000 0.437 43 T N -2.160 112.472 114.554 0.130 0.000 2.812 43 T HA -0.092 4.256 4.350 -0.004 0.000 0.264 43 T C 1.818 176.559 174.700 0.068 0.000 1.042 43 T CA 0.769 62.906 62.100 0.062 0.000 1.140 43 T CB -0.477 68.379 68.868 -0.021 0.000 0.870 43 T HN 0.198 nan 8.240 nan 0.000 0.445 44 L N 0.965 122.232 121.223 0.073 0.000 2.291 44 L HA 0.210 4.548 4.340 -0.004 0.000 0.214 44 L C 3.137 180.183 176.870 0.294 0.000 1.120 44 L CA 0.654 55.553 54.840 0.099 0.000 0.799 44 L CB -0.662 41.352 42.059 -0.075 0.000 0.925 44 L HN 0.373 nan 8.230 nan 0.000 0.446 45 A N -0.556 122.450 122.820 0.312 0.000 2.178 45 A HA -0.267 4.051 4.320 -0.004 0.000 0.218 45 A C 1.986 179.603 177.584 0.055 0.000 1.157 45 A CA 1.393 53.465 52.037 0.059 0.000 0.689 45 A CB -0.801 18.159 19.000 -0.066 0.000 0.787 45 A HN 0.516 nan 8.150 nan 0.000 0.465 46 H N -0.123 118.961 119.070 0.022 0.000 2.421 46 H HA 0.022 4.576 4.556 -0.004 0.000 0.298 46 H C 0.365 175.692 175.328 -0.003 0.000 1.087 46 H CA 1.349 57.402 56.048 0.008 0.000 1.330 46 H CB 0.140 29.907 29.762 0.007 0.000 1.388 46 H HN 0.165 nan 8.280 nan 0.000 0.526 47 R N 0.445 120.922 120.500 -0.038 0.000 2.587 47 R HA 0.171 4.509 4.340 -0.004 0.000 0.283 47 R C -2.207 174.116 176.300 0.039 0.000 1.472 47 R CA -2.037 54.019 56.100 -0.074 0.000 1.578 47 R CB 0.614 30.885 30.300 -0.048 0.000 1.130 47 R HN 0.320 nan 8.270 nan 0.000 0.602 48 P HA -0.198 nan 4.420 nan 0.000 0.218 48 P C 0.641 178.032 177.300 0.152 0.000 1.154 48 P CA 1.343 64.467 63.100 0.040 0.000 0.872 48 P CB 0.436 32.113 31.700 -0.038 0.000 0.790 49 D N -0.905 119.556 120.400 0.100 0.000 2.178 49 D HA -0.136 4.501 4.640 -0.004 0.000 0.201 49 D C 1.843 178.238 176.300 0.158 0.000 0.980 49 D CA 1.032 55.102 54.000 0.118 0.000 0.842 49 D CB -0.342 40.498 40.800 0.066 0.000 0.948 49 D HN 0.394 nan 8.370 nan 0.000 0.472 50 E N -0.399 119.892 120.200 0.152 0.000 2.112 50 E HA -0.083 4.264 4.350 -0.004 0.000 0.190 50 E C 1.851 178.591 176.600 0.233 0.000 0.979 50 E CA 0.054 56.545 56.400 0.150 0.000 0.814 50 E CB -0.182 29.563 29.700 0.076 0.000 0.762 50 E HN 0.198 nan 8.360 nan 0.000 0.460 51 F N 2.572 122.592 119.950 0.117 0.000 2.091 51 F HA -0.241 4.283 4.527 -0.004 0.000 0.299 51 F C 2.198 178.221 175.800 0.371 0.000 1.103 51 F CA 1.741 59.883 58.000 0.236 0.000 1.228 51 F CB 0.031 39.163 39.000 0.220 0.000 0.984 51 F HN -0.200 nan 8.300 nan 0.000 0.477 52 R N 0.008 120.851 120.500 0.571 0.000 2.081 52 R HA -0.098 4.239 4.340 -0.004 0.000 0.235 52 R C 2.438 178.901 176.300 0.271 0.000 1.131 52 R CA 1.254 57.610 56.100 0.426 0.000 0.960 52 R CB -0.872 29.617 30.300 0.314 0.000 0.856 52 R HN 0.411 nan 8.270 nan 0.000 0.436 53 A N 0.469 123.425 122.820 0.226 0.000 1.968 53 A HA -0.141 4.177 4.320 -0.004 0.000 0.217 53 A C 1.891 179.589 177.584 0.190 0.000 1.169 53 A CA 0.771 52.912 52.037 0.174 0.000 0.638 53 A CB -0.467 18.626 19.000 0.156 0.000 0.812 53 A HN 0.327 nan 8.150 nan 0.000 0.446 54 F N -0.409 119.548 119.950 0.013 0.000 2.060 54 F HA -0.099 4.425 4.527 -0.005 0.000 0.295 54 F C 1.875 177.555 175.800 -0.199 0.000 1.120 54 F CA 1.820 59.765 58.000 -0.093 0.000 1.205 54 F CB -0.322 38.444 39.000 -0.391 0.000 0.986 54 F HN 0.211 nan 8.300 nan 0.000 0.470 55 F N 0.471 120.517 119.950 0.160 0.000 2.234 55 F HA -0.059 4.466 4.527 -0.004 0.000 0.299 55 F C 2.511 178.331 175.800 0.034 0.000 1.087 55 F CA 1.041 59.076 58.000 0.058 0.000 1.340 55 F CB -1.353 37.624 39.000 -0.039 0.000 1.031 55 F HN 0.074 nan 8.300 nan 0.000 0.500 56 A N -0.986 121.930 122.820 0.160 0.000 1.930 56 A HA -0.228 4.089 4.320 -0.004 0.000 0.217 56 A C 2.040 179.586 177.584 -0.065 0.000 1.175 56 A CA 1.357 53.430 52.037 0.060 0.000 0.627 56 A CB -1.195 17.832 19.000 0.046 0.000 0.815 56 A HN 0.398 nan 8.150 nan 0.000 0.443 57 Y N -0.242 119.889 120.300 -0.282 0.000 2.220 57 Y HA -0.175 4.373 4.550 -0.004 0.000 0.291 57 Y C 2.459 177.848 175.900 -0.853 0.000 1.129 57 Y CA 1.526 59.311 58.100 -0.524 0.000 1.161 57 Y CB -0.719 37.379 38.460 -0.603 0.000 0.997 57 Y HN 0.625 nan 8.280 nan 0.000 0.522 58 H N -0.091 118.420 119.070 -0.932 0.000 2.319 58 H HA -0.170 4.383 4.556 -0.005 0.000 0.297 58 H C 1.293 176.458 175.328 -0.271 0.000 1.097 58 H CA 2.167 57.697 56.048 -0.864 0.000 1.285 58 H CB -0.134 29.324 29.762 -0.506 0.000 1.368 58 H HN 0.287 nan 8.280 nan 0.000 0.495 59 D N 0.520 120.862 120.400 -0.097 0.000 2.144 59 D HA -0.073 4.565 4.640 -0.004 0.000 0.199 59 D C 2.272 178.508 176.300 -0.107 0.000 0.984 59 D CA 1.246 55.225 54.000 -0.035 0.000 0.834 59 D CB -0.536 40.325 40.800 0.102 0.000 0.955 59 D HN 0.501 nan 8.370 nan 0.000 0.465 60 A N 0.082 122.824 122.820 -0.130 0.000 2.019 60 A HA -0.032 4.285 4.320 -0.004 0.000 0.219 60 A C 1.282 178.817 177.584 -0.082 0.000 1.164 60 A CA 0.788 52.761 52.037 -0.107 0.000 0.644 60 A CB -0.303 18.608 19.000 -0.148 0.000 0.805 60 A HN 0.173 nan 8.150 nan 0.000 0.449 64 K N 1.045 121.431 120.400 -0.023 0.000 2.234 64 K HA 0.176 4.494 4.320 -0.004 0.000 0.251 64 K C -0.456 176.134 176.600 -0.016 0.000 1.011 64 K CA -0.204 56.071 56.287 -0.021 0.000 0.889 64 K CB 0.408 32.894 32.500 -0.024 0.000 1.011 64 K HN -0.143 nan 8.250 nan 0.000 0.505 65 D N -0.981 119.409 120.400 -0.018 0.000 2.302 65 D HA 0.531 5.168 4.640 -0.004 0.000 0.248 65 D C 0.133 176.428 176.300 -0.009 0.000 1.094 65 D CA 0.185 54.176 54.000 -0.014 0.000 0.897 65 D CB 1.427 42.217 40.800 -0.017 0.000 1.200 65 D HN 0.710 nan 8.370 nan 0.000 0.429 66 G N -0.994 107.806 108.800 0.001 0.000 2.506 66 G HA2 0.475 4.433 3.960 -0.004 0.000 0.292 66 G HA3 0.475 4.433 3.960 -0.004 0.000 0.292 66 G C 0.744 175.665 174.900 0.035 0.000 1.425 66 G CA -0.165 44.944 45.100 0.016 0.000 0.788 66 G HN 0.643 nan 8.290 nan 0.000 0.490 67 G N -1.013 107.824 108.800 0.061 0.000 2.598 67 G HA2 0.215 4.173 3.960 -0.004 0.000 0.215 67 G HA3 0.215 4.173 3.960 -0.004 0.000 0.215 67 G C 0.686 175.660 174.900 0.123 0.000 1.131 67 G CA 0.405 45.563 45.100 0.097 0.000 0.785 67 G HN 0.498 nan 8.290 nan 0.000 0.539 68 L N 1.801 123.083 121.223 0.099 0.000 2.307 68 L HA 0.365 4.702 4.340 -0.004 0.000 0.282 68 L C 0.951 177.853 176.870 0.053 0.000 1.051 68 L CA -0.906 53.992 54.840 0.097 0.000 0.804 68 L CB 1.534 43.638 42.059 0.074 0.000 1.197 68 L HN 0.048 nan 8.230 nan 0.000 0.431 69 T N -1.495 113.088 114.554 0.048 0.000 2.788 69 T HA 0.141 4.489 4.350 -0.004 0.000 0.287 69 T C 1.059 175.752 174.700 -0.012 0.000 1.007 69 T CA -0.580 61.524 62.100 0.006 0.000 1.005 69 T CB 0.948 69.822 68.868 0.010 0.000 1.012 69 T HN 0.782 nan 8.240 nan 0.000 0.530 70 K N 0.399 120.745 120.400 -0.091 0.000 2.097 70 K HA 0.001 4.318 4.320 -0.004 0.000 0.206 70 K C 2.340 178.977 176.600 0.061 0.000 1.049 70 K CA 1.359 57.559 56.287 -0.144 0.000 0.933 70 K CB -1.048 31.122 32.500 -0.550 0.000 0.717 70 K HN 0.658 nan 8.250 nan 0.000 0.442 71 G N 1.585 110.437 108.800 0.087 0.000 2.402 71 G HA2 -0.230 3.728 3.960 -0.004 0.000 0.216 71 G HA3 -0.230 3.728 3.960 -0.004 0.000 0.216 71 G C 1.229 176.200 174.900 0.118 0.000 1.162 71 G CA 0.666 45.891 45.100 0.208 0.000 0.777 71 G HN 0.424 nan 8.290 nan 0.000 0.539 72 E N 0.223 120.467 120.200 0.074 0.000 2.077 72 E HA -0.115 4.233 4.350 -0.004 0.000 0.193 72 E C 2.760 179.373 176.600 0.021 0.000 0.989 72 E CA 0.644 57.074 56.400 0.051 0.000 0.800 72 E CB -0.091 29.651 29.700 0.069 0.000 0.746 72 E HN 0.357 nan 8.360 nan 0.000 0.452 73 R N 0.813 121.332 120.500 0.031 0.000 2.081 73 R HA -0.059 4.278 4.340 -0.004 0.000 0.235 73 R C 1.135 177.398 176.300 -0.062 0.000 1.131 73 R CA 0.696 56.796 56.100 -0.000 0.000 0.960 73 R CB -0.079 30.241 30.300 0.033 0.000 0.856 73 R HN 0.115 nan 8.270 nan 0.000 0.436 77 V N 1.513 121.218 119.914 -0.349 0.000 2.358 77 V HA -0.189 3.928 4.120 -0.004 0.000 0.246 77 V C 2.333 178.246 176.094 -0.301 0.000 1.047 77 V CA 2.060 64.051 62.300 -0.515 0.000 1.035 77 V CB -0.363 30.849 31.823 -1.017 0.000 0.658 77 V HN 0.259 nan 8.190 nan 0.000 0.452 78 V N 0.407 120.195 119.914 -0.211 0.000 2.358 78 V HA -0.198 3.920 4.120 -0.004 0.000 0.246 78 V C 2.683 178.714 176.094 -0.106 0.000 1.047 78 V CA 1.949 64.172 62.300 -0.128 0.000 1.035 78 V CB -1.077 30.694 31.823 -0.088 0.000 0.658 78 V HN 0.544 nan 8.190 nan 0.000 0.452 79 A N 0.868 123.612 122.820 -0.128 0.000 1.929 79 A HA -0.177 4.141 4.320 -0.004 0.000 0.216 79 A C 2.493 180.009 177.584 -0.113 0.000 1.176 79 A CA 2.248 54.214 52.037 -0.119 0.000 0.628 79 A CB -0.879 17.974 19.000 -0.245 0.000 0.816 79 A HN 0.623 nan 8.150 nan 0.000 0.444 80 T N -2.761 111.708 114.554 -0.141 0.000 2.857 80 T HA -0.079 4.269 4.350 -0.004 0.000 0.266 80 T C 1.994 176.647 174.700 -0.078 0.000 1.048 80 T CA 1.706 63.736 62.100 -0.116 0.000 1.139 80 T CB -0.534 68.256 68.868 -0.129 0.000 0.874 80 T HN 0.277 nan 8.240 nan 0.000 0.455 81 S N 2.040 117.692 115.700 -0.079 0.000 2.383 81 S HA 0.181 4.648 4.470 -0.004 0.000 0.227 81 S C 2.633 177.214 174.600 -0.033 0.000 1.026 81 S CA 0.813 58.986 58.200 -0.045 0.000 0.981 81 S CB -0.779 62.394 63.200 -0.045 0.000 0.818 81 S HN 0.753 nan 8.310 nan 0.000 0.472 82 A N 1.855 124.651 122.820 -0.039 0.000 1.902 82 A HA 0.109 4.427 4.320 -0.004 0.000 0.217 82 A C 2.381 179.958 177.584 -0.012 0.000 1.181 82 A CA 1.666 53.690 52.037 -0.021 0.000 0.623 82 A CB -1.140 17.852 19.000 -0.012 0.000 0.818 82 A HN 0.519 nan 8.150 nan 0.000 0.443 83 A N -0.029 122.781 122.820 -0.016 0.000 1.972 83 A HA -0.167 4.150 4.320 -0.004 0.000 0.219 83 A C 1.721 179.296 177.584 -0.016 0.000 1.169 83 A CA 1.734 53.764 52.037 -0.012 0.000 0.635 83 A CB -0.491 18.495 19.000 -0.023 0.000 0.810 83 A HN 0.522 nan 8.150 nan 0.000 0.446 84 N N -0.261 118.426 118.700 -0.022 0.000 2.398 84 N HA 0.022 4.760 4.740 -0.004 0.000 0.188 84 N C -0.367 175.138 175.510 -0.009 0.000 1.122 84 N CA 0.420 53.458 53.050 -0.019 0.000 0.866 84 N CB -0.084 38.388 38.487 -0.025 0.000 0.970 84 N HN 0.556 nan 8.380 nan 0.000 0.462 85 Q N -0.506 119.290 119.800 -0.006 0.000 2.451 85 Q HA -0.201 4.136 4.340 -0.004 0.000 0.305 85 Q C -0.629 175.376 176.000 0.008 0.000 1.345 85 Q CA 0.288 56.092 55.803 0.001 0.000 0.854 85 Q CB -2.263 26.477 28.738 0.003 0.000 1.162 85 Q HN 0.361 nan 8.270 nan 0.000 0.440 86 C N 0.760 120.065 119.300 0.009 0.000 2.256 86 C HA 0.327 4.785 4.460 -0.004 0.000 0.333 86 C C 1.767 176.776 174.990 0.030 0.000 1.183 86 C CA -0.630 58.406 59.018 0.030 0.000 1.692 86 C CB -0.331 27.434 27.740 0.043 0.000 2.274 86 C HN 0.695 nan 8.230 nan 0.000 0.509 87 L N 6.295 127.544 121.223 0.043 0.000 1.994 87 L HA -0.026 4.311 4.340 -0.004 0.000 0.208 87 L C 1.887 178.765 176.870 0.014 0.000 1.071 87 L CA 2.213 57.069 54.840 0.028 0.000 0.745 87 L CB -1.455 40.640 42.059 0.060 0.000 0.892 87 L HN 0.855 nan 8.230 nan 0.000 0.431 88 Y N -0.311 119.980 120.300 -0.016 0.000 2.097 88 Y HA -0.335 4.212 4.550 -0.004 0.000 0.282 88 Y C 2.671 178.525 175.900 -0.077 0.000 1.152 88 Y CA 2.278 60.363 58.100 -0.025 0.000 1.136 88 Y CB -0.814 37.654 38.460 0.014 0.000 0.975 88 Y HN 0.331 nan 8.280 nan 0.000 0.498 89 C N -1.117 118.279 119.300 0.159 0.000 2.446 89 C HA -0.136 4.322 4.460 -0.004 0.000 0.277 89 C C 2.818 177.790 174.990 -0.030 0.000 1.275 89 C CA 0.963 60.077 59.018 0.160 0.000 1.727 89 C CB -1.240 26.646 27.740 0.243 0.000 2.010 89 C HN 0.514 nan 8.230 nan 0.000 0.486 90 V N 0.764 120.632 119.914 -0.077 0.000 2.287 90 V HA -0.209 3.909 4.120 -0.004 0.000 0.248 90 V C 2.426 178.380 176.094 -0.233 0.000 1.053 90 V CA 2.237 64.464 62.300 -0.122 0.000 1.027 90 V CB -0.624 31.142 31.823 -0.095 0.000 0.646 90 V HN 0.471 nan 8.190 nan 0.000 0.447 91 V N -0.108 119.596 119.914 -0.351 0.000 2.323 91 V HA -0.184 3.934 4.120 -0.004 0.000 0.244 91 V C 2.628 178.336 176.094 -0.643 0.000 1.041 91 V CA 1.880 63.864 62.300 -0.527 0.000 1.025 91 V CB -1.017 30.355 31.823 -0.753 0.000 0.656 91 V HN 0.552 nan 8.190 nan 0.000 0.451 92 A N -0.798 121.469 122.820 -0.922 0.000 1.855 92 A HA -0.223 4.094 4.320 -0.004 0.000 0.215 92 A C 2.063 178.970 177.584 -1.129 0.000 1.191 92 A CA 1.693 52.776 52.037 -1.589 0.000 0.613 92 A CB -0.745 17.139 19.000 -1.861 0.000 0.829 92 A HN 0.669 nan 8.150 nan 0.000 0.442 93 H N -0.765 118.007 119.070 -0.497 0.000 2.547 93 H HA 0.024 4.578 4.556 -0.005 0.000 0.272 93 H C 2.248 177.424 175.328 -0.253 0.000 0.989 93 H CA 0.771 56.627 56.048 -0.319 0.000 1.214 93 H CB -0.266 29.330 29.762 -0.277 0.000 1.389 93 H HN 0.530 nan 8.280 nan 0.000 0.577 94 G N 0.652 109.332 108.800 -0.199 0.000 2.394 94 G HA2 -0.139 3.818 3.960 -0.004 0.000 0.215 94 G HA3 -0.139 3.818 3.960 -0.004 0.000 0.215 94 G C 1.975 176.798 174.900 -0.127 0.000 1.165 94 G CA 0.750 45.766 45.100 -0.139 0.000 0.784 94 G HN 0.432 nan 8.290 nan 0.000 0.535 95 A N 0.974 123.695 122.820 -0.164 0.000 1.883 95 A HA -0.001 4.316 4.320 -0.004 0.000 0.217 95 A C 2.386 179.919 177.584 -0.085 0.000 1.186 95 A CA 1.433 53.433 52.037 -0.062 0.000 0.624 95 A CB -0.396 18.652 19.000 0.081 0.000 0.822 95 A HN 0.373 nan 8.150 nan 0.000 0.444 96 I N -0.805 119.661 120.570 -0.173 0.000 2.315 96 I HA -0.187 3.980 4.170 -0.004 0.000 0.248 96 I C 2.382 178.299 176.117 -0.334 0.000 1.117 96 I CA 0.970 62.088 61.300 -0.304 0.000 1.404 96 I CB -0.296 37.530 38.000 -0.289 0.000 1.071 96 I HN 0.396 nan 8.210 nan 0.000 0.419 97 L N 1.166 122.303 121.223 -0.142 0.000 2.046 97 L HA -0.181 4.157 4.340 -0.004 0.000 0.208 97 L C 2.591 179.460 176.870 -0.002 0.000 1.077 97 L CA 1.815 56.636 54.840 -0.032 0.000 0.747 97 L CB -0.670 41.379 42.059 -0.017 0.000 0.896 97 L HN 0.083 nan 8.230 nan 0.000 0.432 98 R N -0.635 119.850 120.500 -0.024 0.000 2.081 98 R HA -0.118 4.220 4.340 -0.004 0.000 0.235 98 R C 2.214 178.528 176.300 0.023 0.000 1.131 98 R CA 1.577 57.680 56.100 0.006 0.000 0.960 98 R CB -0.396 29.904 30.300 0.001 0.000 0.856 98 R HN 0.367 nan 8.270 nan 0.000 0.436 99 I N -0.007 120.556 120.570 -0.012 0.000 2.179 99 I HA -0.277 3.891 4.170 -0.004 0.000 0.242 99 I C 2.165 178.359 176.117 0.127 0.000 1.088 99 I CA 1.620 62.932 61.300 0.019 0.000 1.357 99 I CB -0.945 37.022 38.000 -0.054 0.000 1.051 99 I HN 0.122 nan 8.210 nan 0.000 0.409 100 Y N 1.356 121.690 120.300 0.056 0.000 2.200 100 Y HA -0.136 4.411 4.550 -0.004 0.000 0.290 100 Y C 2.627 178.551 175.900 0.041 0.000 1.137 100 Y CA 0.738 58.868 58.100 0.051 0.000 1.163 100 Y CB -0.760 37.732 38.460 0.053 0.000 0.988 100 Y HN 0.240 nan 8.280 nan 0.000 0.518 101 E N 0.259 120.577 120.200 0.196 0.000 2.371 101 E HA -0.071 4.276 4.350 -0.004 0.000 0.194 101 E C 0.254 176.907 176.600 0.087 0.000 1.012 101 E CA 0.342 56.813 56.400 0.119 0.000 0.860 101 E CB -0.099 29.656 29.700 0.091 0.000 0.811 101 E HN 0.369 nan 8.360 nan 0.000 0.502 102 K N 0.605 121.057 120.400 0.087 0.000 3.150 102 K HA -0.188 4.130 4.320 -0.004 0.000 0.267 102 K C -0.503 176.126 176.600 0.050 0.000 1.028 102 K CA 0.572 56.898 56.287 0.065 0.000 0.753 102 K CB -1.259 31.279 32.500 0.062 0.000 1.288 102 K HN 0.022 nan 8.250 nan 0.000 0.473 103 K N -0.563 119.864 120.400 0.046 0.000 2.723 103 K HA 0.152 4.470 4.320 -0.004 0.000 0.229 103 K C -2.291 174.327 176.600 0.030 0.000 1.022 103 K CA -1.811 54.497 56.287 0.036 0.000 1.045 103 K CB 1.674 34.196 32.500 0.038 0.000 1.227 103 K HN -0.252 nan 8.250 nan 0.000 0.516 104 P HA -0.149 nan 4.420 nan 0.000 0.221 104 P C 0.678 177.988 177.300 0.018 0.000 1.145 104 P CA 1.048 64.162 63.100 0.022 0.000 0.795 104 P CB 0.294 32.008 31.700 0.022 0.000 0.775 105 L N -2.191 119.043 121.223 0.018 0.000 2.354 105 L HA 0.046 4.384 4.340 -0.004 0.000 0.212 105 L C 2.343 179.222 176.870 0.016 0.000 1.091 105 L CA 0.341 55.191 54.840 0.016 0.000 0.828 105 L CB -0.918 41.151 42.059 0.017 0.000 0.973 105 L HN -0.158 nan 8.230 nan 0.000 0.461 106 V N 0.920 120.845 119.914 0.019 0.000 2.392 106 V HA -0.290 3.827 4.120 -0.004 0.000 0.249 106 V C 2.685 178.788 176.094 0.016 0.000 1.059 106 V CA 2.053 64.367 62.300 0.022 0.000 1.051 106 V CB -0.073 31.768 31.823 0.029 0.000 0.658 106 V HN 0.438 nan 8.190 nan 0.000 0.455 107 A N -0.362 122.461 122.820 0.004 0.000 1.930 107 A HA -0.201 4.117 4.320 -0.004 0.000 0.217 107 A C 1.816 179.392 177.584 -0.012 0.000 1.175 107 A CA 1.931 53.961 52.037 -0.012 0.000 0.627 107 A CB -0.674 18.307 19.000 -0.031 0.000 0.815 107 A HN 0.636 nan 8.150 nan 0.000 0.443 108 D N -0.262 120.134 120.400 -0.006 0.000 2.178 108 D HA -0.116 4.522 4.640 -0.004 0.000 0.202 108 D C 2.136 178.440 176.300 0.007 0.000 0.974 108 D CA 1.373 55.371 54.000 -0.004 0.000 0.841 108 D CB -0.344 40.457 40.800 0.002 0.000 0.953 108 D HN 0.621 nan 8.370 nan 0.000 0.478 109 Q N 0.067 119.876 119.800 0.014 0.000 2.079 109 Q HA -0.058 4.280 4.340 -0.004 0.000 0.200 109 Q C 2.211 178.237 176.000 0.043 0.000 0.974 109 Q CA 0.772 56.588 55.803 0.022 0.000 0.840 109 Q CB 0.030 28.783 28.738 0.025 0.000 0.898 109 Q HN 0.163 nan 8.270 nan 0.000 0.430 110 V N 0.781 120.725 119.914 0.050 0.000 2.427 110 V HA -0.226 3.891 4.120 -0.004 0.000 0.248 110 V C 2.138 178.269 176.094 0.062 0.000 1.051 110 V CA 1.719 64.067 62.300 0.080 0.000 1.048 110 V CB -0.724 31.124 31.823 0.042 0.000 0.666 110 V HN 0.390 nan 8.190 nan 0.000 0.456 111 A N -0.428 122.405 122.820 0.021 0.000 1.929 111 A HA -0.078 4.240 4.320 -0.004 0.000 0.216 111 A C 2.281 179.878 177.584 0.021 0.000 1.176 111 A CA 1.832 53.872 52.037 0.006 0.000 0.628 111 A CB -0.321 18.668 19.000 -0.019 0.000 0.816 111 A HN 0.358 nan 8.150 nan 0.000 0.444 112 V N -0.318 119.610 119.914 0.022 0.000 2.374 112 V HA 0.040 4.158 4.120 -0.004 0.000 0.241 112 V C 0.813 176.917 176.094 0.018 0.000 1.034 112 V CA 1.584 63.893 62.300 0.015 0.000 1.037 112 V CB -0.629 31.198 31.823 0.007 0.000 0.682 112 V HN 0.704 nan 8.190 nan 0.000 0.463 113 N N -0.560 118.151 118.700 0.018 0.000 3.153 113 N HA 0.067 4.804 4.740 -0.004 0.000 0.208 113 N C 0.292 175.771 175.510 -0.051 0.000 1.462 113 N CA -0.462 52.573 53.050 -0.025 0.000 0.754 113 N CB -0.031 38.418 38.487 -0.063 0.000 1.558 113 N HN 0.365 nan 8.380 nan 0.000 0.605 114 Y N 1.361 121.650 120.300 -0.018 0.000 2.348 114 Y HA -0.129 4.421 4.550 0.001 0.000 0.285 114 Y C 0.992 176.885 175.900 -0.012 0.000 1.173 114 Y CA 1.105 59.195 58.100 -0.017 0.000 1.263 114 Y CB -0.392 38.054 38.460 -0.023 0.000 0.974 114 Y HN 0.429 nan 8.280 nan 0.000 0.547 115 L N 0.123 120.931 121.223 -0.691 0.000 2.187 115 L HA -0.151 4.186 4.340 -0.004 0.000 0.213 115 L C 1.684 178.442 176.870 -0.187 0.000 1.100 115 L CA 1.378 55.923 54.840 -0.492 0.000 0.765 115 L CB -0.400 41.380 42.059 -0.465 0.000 0.904 115 L HN 0.179 nan 8.230 nan 0.000 0.437 116 K N -0.082 120.243 120.400 -0.124 0.000 2.455 116 K HA 0.336 4.654 4.320 -0.004 0.000 0.206 116 K C 0.298 176.887 176.600 -0.018 0.000 1.027 116 K CA -0.046 56.207 56.287 -0.057 0.000 1.113 116 K CB 0.663 33.132 32.500 -0.052 0.000 0.850 116 K HN 0.067 nan 8.250 nan 0.000 0.503 117 A N 1.180 124.003 122.820 0.005 0.000 2.351 117 A HA 0.155 4.473 4.320 -0.004 0.000 0.257 117 A C -0.210 177.392 177.584 0.030 0.000 1.087 117 A CA -0.222 51.835 52.037 0.033 0.000 0.798 117 A CB 0.221 19.265 19.000 0.072 0.000 1.033 117 A HN 0.081 nan 8.150 nan 0.000 0.488 118 D N 1.558 121.976 120.400 0.029 0.000 2.671 118 D HA 0.307 4.945 4.640 -0.004 0.000 0.228 118 D C 0.031 176.351 176.300 0.033 0.000 1.102 118 D CA 0.690 54.706 54.000 0.026 0.000 1.044 118 D CB -0.584 40.229 40.800 0.023 0.000 1.113 118 D HN 0.515 nan 8.370 nan 0.000 0.480 119 I N -2.845 117.749 120.570 0.039 0.000 2.865 119 I HA 0.635 4.803 4.170 -0.004 0.000 0.302 119 I C -2.743 173.398 176.117 0.040 0.000 1.140 119 I CA -2.642 58.684 61.300 0.044 0.000 1.021 119 I CB 2.163 40.198 38.000 0.060 0.000 1.233 119 I HN -0.286 nan 8.210 nan 0.000 0.427 120 P HA 0.335 nan 4.420 nan 0.000 0.272 120 P C -2.263 175.053 177.300 0.026 0.000 1.230 120 P CA -1.360 61.759 63.100 0.032 0.000 0.788 120 P CB -0.105 31.611 31.700 0.027 0.000 0.949 121 P HA -0.123 nan 4.420 nan 0.000 0.221 121 P C 1.474 178.659 177.300 -0.193 0.000 1.145 121 P CA 1.142 64.243 63.100 0.002 0.000 0.795 121 P CB 0.048 31.819 31.700 0.118 0.000 0.775 122 R N 0.314 120.743 120.500 -0.118 0.000 2.073 122 R HA -0.153 4.184 4.340 -0.004 0.000 0.234 122 R C 2.139 178.439 176.300 -0.000 0.000 1.134 122 R CA 1.632 57.630 56.100 -0.169 0.000 0.952 122 R CB -0.414 29.845 30.300 -0.068 0.000 0.850 122 R HN 0.207 nan 8.270 nan 0.000 0.433 123 Q N -0.388 119.439 119.800 0.044 0.000 2.123 123 Q HA -0.133 4.204 4.340 -0.004 0.000 0.199 123 Q C 2.214 178.246 176.000 0.054 0.000 0.966 123 Q CA 1.172 57.027 55.803 0.086 0.000 0.845 123 Q CB -0.101 28.681 28.738 0.073 0.000 0.907 123 Q HN 0.296 nan 8.270 nan 0.000 0.439 124 R N 0.794 121.323 120.500 0.049 0.000 2.096 124 R HA -0.046 4.292 4.340 -0.004 0.000 0.235 124 R C 0.782 177.133 176.300 0.086 0.000 1.127 124 R CA 0.734 56.910 56.100 0.128 0.000 0.968 124 R CB -0.136 30.232 30.300 0.112 0.000 0.861 124 R HN 0.160 nan 8.270 nan 0.000 0.440 128 D N 0.939 121.293 120.400 -0.076 0.000 2.123 128 D HA -0.169 4.468 4.640 -0.004 0.000 0.196 128 D C 1.682 177.986 176.300 0.007 0.000 0.992 128 D CA 1.723 55.757 54.000 0.057 0.000 0.833 128 D CB 0.014 40.891 40.800 0.128 0.000 0.954 128 D HN 0.240 nan 8.370 nan 0.000 0.455 129 F N 1.751 121.608 119.950 -0.154 0.000 2.060 129 F HA -0.066 4.459 4.527 -0.005 0.000 0.295 129 F C 2.292 177.973 175.800 -0.198 0.000 1.120 129 F CA 1.434 59.318 58.000 -0.194 0.000 1.205 129 F CB -0.651 38.204 39.000 -0.242 0.000 0.986 129 F HN -0.058 nan 8.300 nan 0.000 0.470 130 A N 0.962 123.629 122.820 -0.254 0.000 1.915 130 A HA -0.235 4.082 4.320 -0.004 0.000 0.220 130 A C 2.247 179.639 177.584 -0.319 0.000 1.198 130 A CA 2.054 53.896 52.037 -0.325 0.000 0.647 130 A CB -1.300 17.558 19.000 -0.236 0.000 0.825 130 A HN 0.459 nan 8.150 nan 0.000 0.456 131 L N -0.594 120.470 121.223 -0.264 0.000 2.131 131 L HA -0.135 4.202 4.340 -0.004 0.000 0.210 131 L C 2.418 179.181 176.870 -0.178 0.000 1.092 131 L CA 2.269 56.997 54.840 -0.188 0.000 0.759 131 L CB -1.099 40.895 42.059 -0.109 0.000 0.903 131 L HN 0.577 nan 8.230 nan 0.000 0.435 132 K N -0.427 119.837 120.400 -0.227 0.000 2.057 132 K HA -0.117 4.200 4.320 -0.004 0.000 0.206 132 K C 2.061 178.484 176.600 -0.294 0.000 1.050 132 K CA 1.019 57.167 56.287 -0.232 0.000 0.935 132 K CB 0.211 32.572 32.500 -0.232 0.000 0.715 132 K HN 0.074 nan 8.250 nan 0.000 0.439 133 V N 0.929 120.568 119.914 -0.458 0.000 2.295 133 V HA -0.316 3.801 4.120 -0.004 0.000 0.246 133 V C 2.537 178.484 176.094 -0.245 0.000 1.049 133 V CA 1.777 63.830 62.300 -0.412 0.000 1.024 133 V CB -0.495 30.998 31.823 -0.550 0.000 0.648 133 V HN 0.594 nan 8.190 nan 0.000 0.447 134 C N 0.342 119.507 119.300 -0.225 0.000 2.413 134 C HA -0.144 4.314 4.460 -0.004 0.000 0.276 134 C C 2.641 177.568 174.990 -0.105 0.000 1.236 134 C CA 1.301 60.228 59.018 -0.151 0.000 1.735 134 C CB -0.830 26.826 27.740 -0.141 0.000 2.031 134 C HN 0.479 nan 8.230 nan 0.000 0.474 135 K N -0.350 119.994 120.400 -0.093 0.000 2.380 135 K HA 0.341 4.659 4.320 -0.004 0.000 0.198 135 K C 0.474 177.069 176.600 -0.008 0.000 1.070 135 K CA 0.865 57.125 56.287 -0.046 0.000 1.040 135 K CB 0.566 33.045 32.500 -0.035 0.000 0.903 135 K HN 0.430 nan 8.250 nan 0.000 0.549 136 A N 1.336 124.136 122.820 -0.033 0.000 3.339 136 A HA 0.167 4.485 4.320 -0.004 0.000 0.219 136 A C 0.972 178.501 177.584 -0.092 0.000 0.974 136 A CA -0.152 51.889 52.037 0.007 0.000 1.050 136 A CB -0.185 18.777 19.000 -0.063 0.000 1.271 136 A HN 0.073 nan 8.150 nan 0.000 0.565 137 S N 0.708 116.389 115.700 -0.032 0.000 2.400 137 S HA -0.260 4.207 4.470 -0.004 0.000 0.232 137 S C 1.830 176.405 174.600 -0.041 0.000 1.025 137 S CA 1.609 59.757 58.200 -0.086 0.000 0.993 137 S CB -0.943 62.210 63.200 -0.080 0.000 0.808 137 S HN 0.921 nan 8.310 nan 0.000 0.478 138 H N 1.093 120.128 119.070 -0.058 0.000 2.543 138 H HA 0.136 4.690 4.556 -0.004 0.000 0.286 138 H C 1.166 176.483 175.328 -0.018 0.000 1.037 138 H CA 1.414 57.443 56.048 -0.032 0.000 1.250 138 H CB -0.484 29.261 29.762 -0.028 0.000 1.373 138 H HN 0.601 nan 8.280 nan 0.000 0.580 139 E N 0.831 120.699 120.200 -0.554 0.000 2.474 139 E HA 0.144 4.492 4.350 -0.004 0.000 0.195 139 E C 0.058 176.555 176.600 -0.172 0.000 1.039 139 E CA -0.221 55.938 56.400 -0.401 0.000 0.881 139 E CB 0.836 30.253 29.700 -0.472 0.000 0.970 139 E HN 0.113 nan 8.360 nan 0.000 0.486 140 V N 3.808 123.648 119.914 -0.124 0.000 2.540 140 V HA -0.069 4.048 4.120 -0.004 0.000 0.297 140 V C 0.254 176.377 176.094 0.047 0.000 1.024 140 V CA 0.150 62.421 62.300 -0.047 0.000 1.105 140 V CB -0.152 31.648 31.823 -0.038 0.000 0.938 140 V HN 0.353 nan 8.190 nan 0.000 0.482 141 N N 3.690 122.433 118.700 0.071 0.000 3.038 141 N HA 0.351 5.088 4.740 -0.004 0.000 0.307 141 N C 0.496 176.154 175.510 0.247 0.000 1.441 141 N CA -0.930 52.202 53.050 0.136 0.000 0.772 141 N CB 0.705 39.233 38.487 0.069 0.000 1.651 141 N HN 0.238 nan 8.380 nan 0.000 0.593 142 E N -0.325 120.012 120.200 0.228 0.000 2.204 142 E HA -0.060 4.287 4.350 -0.004 0.000 0.194 142 E C 1.543 178.266 176.600 0.206 0.000 0.989 142 E CA 1.328 57.891 56.400 0.270 0.000 0.824 142 E CB -0.557 29.229 29.700 0.143 0.000 0.756 142 E HN 0.688 nan 8.360 nan 0.000 0.477 143 A N 1.654 124.545 122.820 0.118 0.000 2.015 143 A HA -0.167 4.150 4.320 -0.004 0.000 0.219 143 A C 1.697 179.309 177.584 0.048 0.000 1.163 143 A CA 1.412 53.494 52.037 0.074 0.000 0.646 143 A CB -0.165 18.865 19.000 0.050 0.000 0.806 143 A HN 0.055 nan 8.150 nan 0.000 0.448 144 D N -0.759 119.648 120.400 0.011 0.000 2.149 144 D HA -0.079 4.559 4.640 -0.004 0.000 0.201 144 D C 1.479 177.616 176.300 -0.272 0.000 0.972 144 D CA 1.005 54.947 54.000 -0.096 0.000 0.835 144 D CB -0.354 40.400 40.800 -0.077 0.000 0.966 144 D HN 0.506 nan 8.370 nan 0.000 0.476 145 F N 1.621 121.527 119.950 -0.074 0.000 2.163 145 F HA -0.018 4.507 4.527 -0.003 0.000 0.297 145 F C 2.469 178.226 175.800 -0.071 0.000 1.094 145 F CA 0.722 58.635 58.000 -0.145 0.000 1.290 145 F CB -0.415 38.538 39.000 -0.078 0.000 1.017 145 F HN -0.110 nan 8.300 nan 0.000 0.483 146 E N 0.329 120.617 120.200 0.147 0.000 2.070 146 E HA -0.263 4.085 4.350 -0.004 0.000 0.197 146 E C 2.421 179.064 176.600 0.071 0.000 1.004 146 E CA 1.220 57.675 56.400 0.092 0.000 0.805 146 E CB -0.395 29.348 29.700 0.072 0.000 0.744 146 E HN 0.373 nan 8.360 nan 0.000 0.451 147 A N 0.947 123.803 122.820 0.060 0.000 1.908 147 A HA -0.189 4.129 4.320 -0.004 0.000 0.218 147 A C 2.180 179.871 177.584 0.178 0.000 1.181 147 A CA 1.212 53.306 52.037 0.095 0.000 0.627 147 A CB -0.635 18.416 19.000 0.085 0.000 0.818 147 A HN 0.154 nan 8.150 nan 0.000 0.445 148 L N -1.252 120.035 121.223 0.108 0.000 2.093 148 L HA -0.152 4.186 4.340 -0.004 0.000 0.208 148 L C 2.847 179.922 176.870 0.342 0.000 1.085 148 L CA 1.191 56.174 54.840 0.239 0.000 0.755 148 L CB -0.412 41.605 42.059 -0.070 0.000 0.904 148 L HN 0.350 nan 8.230 nan 0.000 0.435 149 R N 0.032 120.642 120.500 0.184 0.000 2.092 149 R HA -0.156 4.181 4.340 -0.004 0.000 0.231 149 R C 2.055 178.393 176.300 0.064 0.000 1.119 149 R CA 1.130 57.309 56.100 0.131 0.000 0.970 149 R CB -0.257 30.099 30.300 0.092 0.000 0.864 149 R HN 0.452 nan 8.270 nan 0.000 0.440 150 E N -0.232 119.990 120.200 0.036 0.000 2.209 150 E HA -0.172 4.175 4.350 -0.004 0.000 0.196 150 E C 1.087 177.566 176.600 -0.203 0.000 0.993 150 E CA 0.895 57.241 56.400 -0.089 0.000 0.819 150 E CB 0.007 29.625 29.700 -0.137 0.000 0.745 150 E HN 0.499 nan 8.360 nan 0.000 0.477 151 H N -1.207 117.860 119.070 -0.004 0.000 2.517 151 H HA 0.176 4.729 4.556 -0.005 0.000 0.282 151 H C 1.053 176.215 175.328 -0.275 0.000 1.023 151 H CA 0.689 56.678 56.048 -0.098 0.000 1.169 151 H CB 1.017 30.751 29.762 -0.046 0.000 1.454 151 H HN 0.316 nan 8.280 nan 0.000 0.556 152 G N 0.842 109.574 108.800 -0.113 0.000 2.141 152 G HA2 -0.253 3.705 3.960 -0.004 0.000 0.242 152 G HA3 -0.253 3.705 3.960 -0.004 0.000 0.242 152 G C -0.237 174.545 174.900 -0.196 0.000 0.982 152 G CA -0.330 44.669 45.100 -0.169 0.000 0.662 152 G HN 0.159 nan 8.290 nan 0.000 0.527 153 F N 1.470 121.446 119.950 0.043 0.000 2.377 153 F HA 0.672 5.196 4.527 -0.005 0.000 0.328 153 F C 1.250 177.063 175.800 0.023 0.000 1.094 153 F CA 0.096 58.112 58.000 0.028 0.000 1.093 153 F CB 1.425 40.434 39.000 0.013 0.000 1.214 153 F HN 0.193 nan 8.300 nan 0.000 0.518 154 T N -2.636 112.062 114.554 0.240 0.000 2.936 154 T HA 0.275 4.622 4.350 -0.004 0.000 0.282 154 T C 0.472 175.254 174.700 0.135 0.000 1.003 154 T CA -0.797 61.384 62.100 0.135 0.000 1.005 154 T CB 1.261 70.183 68.868 0.089 0.000 1.097 154 T HN 0.430 nan 8.240 nan 0.000 0.532 155 D N 0.117 120.572 120.400 0.091 0.000 2.264 155 D HA -0.051 4.587 4.640 -0.004 0.000 0.208 155 D C 1.886 178.265 176.300 0.132 0.000 0.966 155 D CA 0.692 54.750 54.000 0.098 0.000 0.864 155 D CB 0.045 40.834 40.800 -0.018 0.000 0.933 155 D HN 0.570 nan 8.370 nan 0.000 0.499 156 E N 0.884 121.135 120.200 0.086 0.000 2.106 156 E HA -0.126 4.222 4.350 -0.004 0.000 0.192 156 E C 1.437 178.118 176.600 0.134 0.000 0.984 156 E CA 0.734 57.177 56.400 0.072 0.000 0.806 156 E CB -0.114 29.581 29.700 -0.009 0.000 0.750 156 E HN 0.379 nan 8.360 nan 0.000 0.458 157 D N 0.847 121.325 120.400 0.130 0.000 2.117 157 D HA -0.092 4.546 4.640 -0.004 0.000 0.198 157 D C 1.878 178.219 176.300 0.069 0.000 0.982 157 D CA 1.375 55.444 54.000 0.115 0.000 0.828 157 D CB -0.334 40.579 40.800 0.188 0.000 0.967 157 D HN 0.139 nan 8.370 nan 0.000 0.464 158 A N 1.077 123.940 122.820 0.072 0.000 1.940 158 A HA -0.199 4.118 4.320 -0.004 0.000 0.219 158 A C 2.073 179.859 177.584 0.337 0.000 1.176 158 A CA 1.284 53.353 52.037 0.053 0.000 0.631 158 A CB -1.105 17.978 19.000 0.139 0.000 0.814 158 A HN 0.421 nan 8.150 nan 0.000 0.446 159 W N 1.241 122.640 121.300 0.165 0.000 2.388 159 W HA -0.114 4.544 4.660 -0.004 0.000 0.294 159 W C 0.986 177.572 176.519 0.112 0.000 1.212 159 W CA 1.822 59.263 57.345 0.160 0.000 1.271 159 W CB -0.462 29.058 29.460 0.099 0.000 1.126 159 W HN 0.416 nan 8.180 nan 0.000 0.535 160 D N 0.634 121.279 120.400 0.408 0.000 2.117 160 D HA -0.191 4.446 4.640 -0.004 0.000 0.197 160 D C 2.226 178.620 176.300 0.158 0.000 0.987 160 D CA 1.918 56.077 54.000 0.264 0.000 0.829 160 D CB -0.638 40.258 40.800 0.160 0.000 0.961 160 D HN 0.222 nan 8.370 nan 0.000 0.460 161 I N 1.267 121.912 120.570 0.126 0.000 2.099 161 I HA -0.294 3.873 4.170 -0.004 0.000 0.239 161 I C 2.534 178.681 176.117 0.049 0.000 1.066 161 I CA 1.335 62.681 61.300 0.077 0.000 1.324 161 I CB -0.329 37.747 38.000 0.127 0.000 1.037 161 I HN -0.070 nan 8.210 nan 0.000 0.401 162 A N 0.650 123.524 122.820 0.090 0.000 1.908 162 A HA -0.223 4.094 4.320 -0.004 0.000 0.218 162 A C 2.515 180.043 177.584 -0.094 0.000 1.181 162 A CA 2.136 54.131 52.037 -0.071 0.000 0.627 162 A CB -0.967 18.008 19.000 -0.041 0.000 0.818 162 A HN 0.480 nan 8.150 nan 0.000 0.445 163 A N -0.135 122.659 122.820 -0.043 0.000 1.877 163 A HA -0.085 4.232 4.320 -0.004 0.000 0.216 163 A C 2.151 179.755 177.584 0.033 0.000 1.186 163 A CA 1.529 53.558 52.037 -0.013 0.000 0.620 163 A CB -0.620 18.461 19.000 0.136 0.000 0.822 163 A HN 0.493 nan 8.150 nan 0.000 0.443 164 I N -0.354 120.267 120.570 0.086 0.000 2.163 164 I HA -0.264 3.904 4.170 -0.004 0.000 0.243 164 I C 2.667 178.893 176.117 0.181 0.000 1.085 164 I CA 1.866 63.278 61.300 0.187 0.000 1.347 164 I CB -0.708 37.365 38.000 0.123 0.000 1.044 164 I HN 0.294 nan 8.210 nan 0.000 0.408 165 T N 0.883 115.452 114.554 0.026 0.000 2.635 165 T HA -0.266 4.081 4.350 -0.004 0.000 0.267 165 T C 2.038 176.714 174.700 -0.039 0.000 1.040 165 T CA 1.724 63.799 62.100 -0.040 0.000 1.156 165 T CB -0.500 68.283 68.868 -0.142 0.000 0.863 165 T HN 0.513 nan 8.240 nan 0.000 0.430 166 A N 1.003 123.779 122.820 -0.074 0.000 1.883 166 A HA -0.081 4.237 4.320 -0.004 0.000 0.217 166 A C 2.072 179.563 177.584 -0.155 0.000 1.186 166 A CA 1.776 53.742 52.037 -0.118 0.000 0.624 166 A CB -1.008 17.910 19.000 -0.135 0.000 0.822 166 A HN 0.506 nan 8.150 nan 0.000 0.444 167 F N -0.640 119.110 119.950 -0.334 0.000 2.163 167 F HA -0.027 4.498 4.527 -0.004 0.000 0.297 167 F C 1.663 177.162 175.800 -0.501 0.000 1.094 167 F CA 1.203 58.868 58.000 -0.557 0.000 1.290 167 F CB -0.297 38.235 39.000 -0.779 0.000 1.017 167 F HN 0.173 nan 8.300 nan 0.000 0.483 168 F N 0.352 120.082 119.950 -0.368 0.000 2.604 168 F HA 0.119 4.644 4.527 -0.003 0.000 0.298 168 F C 2.511 178.134 175.800 -0.295 0.000 1.131 168 F CA 0.873 58.644 58.000 -0.382 0.000 1.457 168 F CB -1.025 37.846 39.000 -0.214 0.000 1.095 168 F HN 0.060 nan 8.300 nan 0.000 0.574 169 G N 0.097 108.814 108.800 -0.138 0.000 2.421 169 G HA2 -0.172 3.786 3.960 -0.004 0.000 0.217 169 G HA3 -0.172 3.786 3.960 -0.004 0.000 0.217 169 G C 1.691 176.480 174.900 -0.186 0.000 1.143 169 G CA 0.482 45.504 45.100 -0.131 0.000 0.784 169 G HN 0.404 nan 8.290 nan 0.000 0.541 170 L N 0.329 121.367 121.223 -0.308 0.000 1.988 170 L HA -0.015 4.323 4.340 -0.004 0.000 0.207 170 L C 2.854 179.549 176.870 -0.290 0.000 1.071 170 L CA 1.926 56.578 54.840 -0.312 0.000 0.744 170 L CB -0.495 41.312 42.059 -0.420 0.000 0.893 170 L HN 0.286 nan 8.230 nan 0.000 0.433 171 S N 0.158 115.584 115.700 -0.455 0.000 2.365 171 S HA -0.292 4.176 4.470 -0.004 0.000 0.225 171 S C 1.647 176.179 174.600 -0.113 0.000 1.039 171 S CA 2.264 60.321 58.200 -0.239 0.000 1.033 171 S CB -0.696 62.291 63.200 -0.354 0.000 0.887 171 S HN 0.638 nan 8.310 nan 0.000 0.447 172 N N 0.406 119.060 118.700 -0.076 0.000 2.036 172 N HA -0.103 4.634 4.740 -0.004 0.000 0.195 172 N C 1.090 176.572 175.510 -0.047 0.000 1.037 172 N CA 0.856 53.891 53.050 -0.024 0.000 0.855 172 N CB -0.150 38.323 38.487 -0.023 0.000 1.033 172 N HN 0.369 nan 8.380 nan 0.000 0.423 176 N N 0.828 119.522 118.700 -0.010 0.000 2.216 176 N HA -0.052 4.685 4.740 -0.004 0.000 0.183 176 N C 1.549 177.067 175.510 0.014 0.000 1.017 176 N CA 2.038 55.094 53.050 0.010 0.000 0.861 176 N CB -0.385 38.105 38.487 0.005 0.000 0.986 176 N HN 0.552 nan 8.380 nan 0.000 0.428 177 T N 1.888 116.444 114.554 0.003 0.000 2.777 177 T HA -0.035 4.313 4.350 -0.004 0.000 0.266 177 T C 1.924 176.672 174.700 0.081 0.000 1.040 177 T CA 0.892 63.010 62.100 0.030 0.000 1.141 177 T CB -0.111 68.766 68.868 0.014 0.000 0.868 177 T HN 0.449 nan 8.240 nan 0.000 0.444 178 I N -0.981 119.630 120.570 0.068 0.000 3.578 178 I HA 0.456 4.624 4.170 -0.004 0.000 0.295 178 I C 1.080 177.257 176.117 0.100 0.000 1.280 178 I CA -0.054 61.337 61.300 0.152 0.000 1.347 178 I CB -0.803 37.248 38.000 0.085 0.000 1.051 178 I HN 0.273 nan 8.210 nan 0.000 0.460 182 P HA 0.104 nan 4.420 nan 0.000 0.271 182 P C -0.952 176.608 177.300 0.434 0.000 1.216 182 P CA -0.195 63.101 63.100 0.326 0.000 0.771 182 P CB 0.495 32.190 31.700 -0.008 0.000 0.864 183 N N 1.697 120.674 118.700 0.462 0.000 2.453 183 N HA 0.002 4.739 4.740 -0.004 0.000 0.253 183 N C 0.965 176.575 175.510 0.168 0.000 1.252 183 N CA 0.064 53.240 53.050 0.209 0.000 0.917 183 N CB -0.053 38.418 38.487 -0.026 0.000 1.117 183 N HN 0.337 nan 8.380 nan 0.000 0.442 184 D N 1.005 121.413 120.400 0.014 0.000 2.178 184 D HA -0.130 4.507 4.640 -0.004 0.000 0.201 184 D C 1.088 177.363 176.300 -0.042 0.000 0.980 184 D CA 1.259 55.258 54.000 -0.001 0.000 0.842 184 D CB -0.024 40.709 40.800 -0.112 0.000 0.948 184 D HN 0.568 nan 8.370 nan 0.000 0.472 185 E N -0.310 119.666 120.200 -0.373 0.000 2.153 185 E HA -0.112 4.236 4.350 -0.004 0.000 0.194 185 E C 1.792 178.244 176.600 -0.246 0.000 0.988 185 E CA 0.488 56.595 56.400 -0.489 0.000 0.811 185 E CB -0.311 28.707 29.700 -1.137 0.000 0.746 185 E HN 0.293 nan 8.360 nan 0.000 0.466 186 F N -0.443 119.460 119.950 -0.078 0.000 2.171 186 F HA -0.096 4.428 4.527 -0.004 0.000 0.300 186 F C 1.713 177.473 175.800 -0.068 0.000 1.090 186 F CA 0.736 58.691 58.000 -0.075 0.000 1.293 186 F CB -0.701 38.187 39.000 -0.187 0.000 1.013 186 F HN 0.013 nan 8.300 nan 0.000 0.486 187 F N -0.552 119.444 119.950 0.076 0.000 2.161 187 F HA -0.126 4.398 4.527 -0.005 0.000 0.300 187 F C 1.398 177.201 175.800 0.005 0.000 1.089 187 F CA 0.646 58.659 58.000 0.022 0.000 1.282 187 F CB -0.619 38.377 39.000 -0.006 0.000 1.010 187 F HN -0.100 nan 8.300 nan 0.000 0.485 191 R N -0.054 120.464 120.500 0.030 0.000 2.240 191 R HA 0.227 4.564 4.340 -0.004 0.000 0.203 191 R C 0.136 176.451 176.300 0.025 0.000 1.011 191 R CA 0.541 56.657 56.100 0.027 0.000 1.007 191 R CB 0.585 30.903 30.300 0.031 0.000 0.911 191 R HN 0.213 nan 8.270 nan 0.000 0.468 192 V N 3.383 123.312 119.914 0.026 0.000 2.334 192 V HA 0.216 4.333 4.120 -0.004 0.000 0.281 192 V C -1.741 174.369 176.094 0.026 0.000 1.016 192 V CA -1.783 60.531 62.300 0.023 0.000 0.832 192 V CB 1.127 32.962 31.823 0.021 0.000 0.999 192 V HN 0.121 nan 8.190 nan 0.000 0.439 193 P HA 0.000 nan 4.420 nan 0.000 0.216 193 P CA 0.000 63.117 63.100 0.029 0.000 0.800 193 P CB 0.000 31.715 31.700 0.025 0.000 0.726