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 3oi5_1_Z DATA FIRST_RESID 3 DATA SEQUENCE YRLKAYYREG EKPSALRRAG KLPGVMYNRH LNRKVYVDLV EFDKVFRQAS DATA SEQUENCE IHHVIVLELP DGQSLPTLVR QVNLDKRRRR PEHVDFFVLS DEPVEMYVPL DATA SEQUENCE RFVGTPAGVR AGGVLQEIHR DILVKVSPRN IPEFIEVDVS GLEIGDSLHA DATA SEQUENCE SDLKLPPGVE LAVSPEETIA AVVPPED 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 Y HA 0.000 nan 4.550 nan 0.000 0.201 3 Y C 0.000 175.849 175.900 -0.084 0.000 1.272 3 Y CA 0.000 58.056 58.100 -0.073 0.000 1.940 3 Y CB 0.000 38.411 38.460 -0.082 0.000 1.050 4 R N 3.143 123.663 120.500 0.034 0.000 2.787 4 R HA 0.884 5.224 4.340 0.000 0.000 0.271 4 R C -1.333 174.949 176.300 -0.030 0.000 0.993 4 R CA -1.193 54.890 56.100 -0.029 0.000 0.993 4 R CB 2.674 32.941 30.300 -0.056 0.000 1.155 4 R HN 0.598 nan 8.270 nan 0.000 0.486 5 L N 1.199 122.375 121.223 -0.078 0.000 2.731 5 L HA 0.250 4.590 4.340 0.000 0.000 0.256 5 L C -1.020 175.778 176.870 -0.120 0.000 0.947 5 L CA -1.024 53.780 54.840 -0.060 0.000 0.914 5 L CB 2.407 44.464 42.059 -0.004 0.000 1.470 5 L HN 0.470 nan 8.230 nan 0.000 0.421 6 K N 1.252 121.585 120.400 -0.111 0.000 2.457 6 K HA 0.337 4.657 4.320 0.000 0.000 0.269 6 K C 0.052 176.492 176.600 -0.266 0.000 0.969 6 K CA 1.131 57.253 56.287 -0.275 0.000 0.921 6 K CB 0.371 32.720 32.500 -0.252 0.000 0.940 6 K HN 0.645 nan 8.250 nan 0.000 0.517 7 A N 2.199 124.723 122.820 -0.493 0.000 3.367 7 A HA 0.186 4.506 4.320 0.000 0.000 0.208 7 A C -1.354 175.949 177.584 -0.468 0.000 1.043 7 A CA -0.701 51.135 52.037 -0.335 0.000 1.079 7 A CB -0.543 18.264 19.000 -0.322 0.000 1.314 7 A HN 0.536 nan 8.150 nan 0.000 0.668 8 Y N -0.407 119.626 120.300 -0.445 0.000 2.903 8 Y HA 0.066 4.616 4.550 0.000 0.000 0.338 8 Y C 0.774 176.310 175.900 -0.607 0.000 1.265 8 Y CA 1.034 58.792 58.100 -0.570 0.000 1.532 8 Y CB -0.040 38.027 38.460 -0.656 0.000 1.293 8 Y HN 0.487 nan 8.280 nan 0.000 0.609 9 Y N 2.666 122.884 120.300 -0.136 0.000 2.425 9 Y HA 0.123 4.673 4.550 0.000 0.000 0.331 9 Y C 0.884 176.825 175.900 0.069 0.000 1.157 9 Y CA -0.509 57.572 58.100 -0.031 0.000 1.372 9 Y CB 0.569 39.048 38.460 0.032 0.000 1.253 9 Y HN 0.435 nan 8.280 nan 0.000 0.536 10 R N 3.534 124.252 120.500 0.363 0.000 2.204 10 R HA 0.082 4.422 4.340 0.000 0.000 0.341 10 R C 0.202 176.657 176.300 0.259 0.000 1.035 10 R CA -0.378 55.974 56.100 0.420 0.000 0.887 10 R CB 0.747 31.306 30.300 0.432 0.000 1.114 10 R HN 0.804 nan 8.270 nan 0.000 0.473 11 E N 2.332 122.666 120.200 0.224 0.000 2.171 11 E HA -0.104 4.246 4.350 0.000 0.000 0.197 11 E C 0.795 177.451 176.600 0.092 0.000 0.997 11 E CA 1.448 57.923 56.400 0.126 0.000 0.810 11 E CB 0.108 29.874 29.700 0.110 0.000 0.738 11 E HN 0.954 nan 8.360 nan 0.000 0.467 12 G N 0.254 109.118 108.800 0.108 0.000 2.629 12 G HA2 -0.151 3.809 3.960 0.000 0.000 0.154 12 G HA3 -0.151 3.809 3.960 0.000 0.000 0.154 12 G C -0.733 174.200 174.900 0.055 0.000 1.077 12 G CA -0.414 44.732 45.100 0.077 0.000 0.831 12 G HN 0.124 nan 8.290 nan 0.000 0.495 13 E N 0.578 120.811 120.200 0.055 0.000 2.432 13 E HA 0.434 4.784 4.350 0.000 0.000 0.272 13 E C -0.164 176.439 176.600 0.005 0.000 0.937 13 E CA -0.905 55.511 56.400 0.026 0.000 0.812 13 E CB 0.930 30.644 29.700 0.022 0.000 1.377 13 E HN 0.421 nan 8.360 nan 0.000 0.399 14 K N 1.516 121.917 120.400 0.001 0.000 4.215 14 K HA -0.124 4.196 4.320 0.000 0.000 0.318 14 K C -2.471 174.117 176.600 -0.020 0.000 1.077 14 K CA -0.187 56.092 56.287 -0.014 0.000 0.979 14 K CB -0.870 31.615 32.500 -0.024 0.000 1.497 14 K HN 0.322 nan 8.250 nan 0.000 0.436 15 P HA -0.303 nan 4.420 nan 0.000 0.216 15 P C 1.451 178.740 177.300 -0.019 0.000 1.153 15 P CA 1.990 65.090 63.100 -0.000 0.000 0.858 15 P CB 0.113 31.817 31.700 0.007 0.000 0.789 16 S N 0.186 115.873 115.700 -0.023 0.000 2.359 16 S HA -0.258 4.212 4.470 0.000 0.000 0.223 16 S C 2.167 176.745 174.600 -0.037 0.000 1.039 16 S CA 1.525 59.708 58.200 -0.027 0.000 1.042 16 S CB -1.739 61.447 63.200 -0.025 0.000 0.915 16 S HN 0.184 nan 8.310 nan 0.000 0.439 17 A N 2.378 125.172 122.820 -0.043 0.000 1.884 17 A HA -0.096 4.224 4.320 0.000 0.000 0.219 17 A C 2.266 179.801 177.584 -0.081 0.000 1.197 17 A CA 1.984 53.986 52.037 -0.058 0.000 0.637 17 A CB -1.171 17.792 19.000 -0.061 0.000 0.827 17 A HN 0.423 nan 8.150 nan 0.000 0.450 18 L N -0.521 120.642 121.223 -0.100 0.000 1.944 18 L HA -0.236 4.104 4.340 0.000 0.000 0.218 18 L C 2.709 179.525 176.870 -0.090 0.000 1.075 18 L CA 2.581 57.337 54.840 -0.140 0.000 0.767 18 L CB -0.978 41.003 42.059 -0.131 0.000 0.890 18 L HN 0.408 nan 8.230 nan 0.000 0.434 19 R N -0.873 119.595 120.500 -0.053 0.000 2.117 19 R HA -0.184 4.156 4.340 0.000 0.000 0.243 19 R C 2.254 178.531 176.300 -0.037 0.000 1.143 19 R CA 1.520 57.597 56.100 -0.038 0.000 0.968 19 R CB -0.623 29.659 30.300 -0.030 0.000 0.863 19 R HN 0.365 nan 8.270 nan 0.000 0.444 20 R N 0.828 121.303 120.500 -0.041 0.000 2.148 20 R HA 0.033 4.373 4.340 0.000 0.000 0.223 20 R C 1.458 177.735 176.300 -0.039 0.000 1.088 20 R CA 1.335 57.413 56.100 -0.035 0.000 0.985 20 R CB -0.089 30.190 30.300 -0.035 0.000 0.880 20 R HN 0.255 nan 8.270 nan 0.000 0.451 21 A N -0.102 122.684 122.820 -0.056 0.000 2.276 21 A HA 0.275 4.595 4.320 0.000 0.000 0.212 21 A C 1.314 178.869 177.584 -0.049 0.000 1.230 21 A CA 0.500 52.499 52.037 -0.063 0.000 0.844 21 A CB -0.276 18.664 19.000 -0.101 0.000 0.860 21 A HN 0.618 nan 8.150 nan 0.000 0.486 22 G N -0.884 107.898 108.800 -0.031 0.000 2.176 22 G HA2 -0.238 3.722 3.960 0.000 0.000 0.253 22 G HA3 -0.238 3.722 3.960 0.000 0.000 0.253 22 G C 0.423 175.328 174.900 0.008 0.000 0.979 22 G CA 0.586 45.683 45.100 -0.006 0.000 0.641 22 G HN 0.424 nan 8.290 nan 0.000 0.530 23 K N -0.605 119.782 120.400 -0.021 0.000 2.362 23 K HA 0.835 5.155 4.320 0.000 0.000 0.245 23 K C -0.103 176.506 176.600 0.015 0.000 1.040 23 K CA -0.927 55.368 56.287 0.012 0.000 0.961 23 K CB 1.110 33.548 32.500 -0.105 0.000 1.252 23 K HN 0.769 nan 8.250 nan 0.000 0.503 24 L N 1.133 122.392 121.223 0.059 0.000 2.680 24 L HA 0.346 4.686 4.340 0.000 0.000 0.260 24 L C -2.838 174.046 176.870 0.023 0.000 0.975 24 L CA -1.494 53.337 54.840 -0.016 0.000 0.920 24 L CB 1.717 43.703 42.059 -0.122 0.000 1.234 24 L HN 0.249 nan 8.230 nan 0.000 0.429 25 P HA 0.560 nan 4.420 nan 0.000 0.270 25 P C -0.041 177.208 177.300 -0.086 0.000 1.221 25 P CA 0.262 63.428 63.100 0.110 0.000 0.788 25 P CB 0.725 32.535 31.700 0.184 0.000 0.904 26 G N -1.844 106.870 108.800 -0.144 0.000 2.315 26 G HA2 0.455 4.415 3.960 0.000 0.000 0.294 26 G HA3 0.455 4.415 3.960 0.000 0.000 0.294 26 G C -2.099 172.702 174.900 -0.165 0.000 1.300 26 G CA -0.301 44.390 45.100 -0.682 0.000 0.843 26 G HN 0.567 nan 8.290 nan 0.000 0.527 27 V N 0.165 120.007 119.914 -0.120 0.000 3.147 27 V HA 0.776 4.896 4.120 0.000 0.000 0.299 27 V C -0.924 175.352 176.094 0.303 0.000 1.302 27 V CA -0.576 61.851 62.300 0.211 0.000 1.015 27 V CB 2.207 34.224 31.823 0.323 0.000 1.086 27 V HN 1.230 nan 8.190 nan 0.000 0.437 28 M N 5.029 124.855 119.600 0.378 0.000 2.530 28 M HA 0.940 5.420 4.480 0.000 0.000 0.307 28 M C -1.386 175.131 176.300 0.362 0.000 1.161 28 M CA -0.591 54.883 55.300 0.291 0.000 0.903 28 M CB 2.136 34.900 32.600 0.272 0.000 1.711 28 M HN 0.704 nan 8.290 nan 0.000 0.451 29 Y N -0.475 119.982 120.300 0.262 0.000 2.522 29 Y HA 0.695 5.245 4.550 0.000 0.000 0.326 29 Y C -1.907 174.208 175.900 0.358 0.000 1.198 29 Y CA -1.318 56.922 58.100 0.233 0.000 1.112 29 Y CB 0.602 39.155 38.460 0.155 0.000 1.342 29 Y HN 0.949 nan 8.280 nan 0.000 0.460 30 N N 1.357 120.300 118.700 0.405 0.000 3.167 30 N HA 0.316 5.056 4.740 0.000 0.000 0.323 30 N C 0.491 176.159 175.510 0.264 0.000 1.478 30 N CA -0.836 52.503 53.050 0.482 0.000 0.753 30 N CB 0.856 39.486 38.487 0.238 0.000 1.721 30 N HN 0.915 nan 8.380 nan 0.000 0.618 31 R N -0.881 119.660 120.500 0.069 0.000 2.316 31 R HA -0.091 4.249 4.340 0.000 0.000 0.232 31 R C 0.209 176.350 176.300 -0.265 0.000 1.137 31 R CA 1.382 57.382 56.100 -0.166 0.000 1.012 31 R CB -0.630 29.496 30.300 -0.290 0.000 0.859 31 R HN 0.551 nan 8.270 nan 0.000 0.474 32 H N -0.774 118.382 119.070 0.144 0.000 2.657 32 H HA 0.210 4.766 4.556 0.000 0.000 0.262 32 H C 0.248 175.645 175.328 0.116 0.000 0.965 32 H CA -0.247 55.864 56.048 0.105 0.000 1.184 32 H CB 0.219 30.027 29.762 0.077 0.000 1.443 32 H HN 0.091 nan 8.280 nan 0.000 0.462 33 L N 1.667 123.046 121.223 0.259 0.000 2.334 33 L HA 0.447 4.787 4.340 0.000 0.000 0.270 33 L C -0.428 176.595 176.870 0.255 0.000 1.018 33 L CA -0.426 54.549 54.840 0.224 0.000 0.811 33 L CB 1.601 43.785 42.059 0.209 0.000 1.271 33 L HN 0.086 nan 8.230 nan 0.000 0.443 34 N N 2.785 121.623 118.700 0.229 0.000 3.049 34 N HA 0.276 5.016 4.740 0.000 0.000 0.241 34 N C -1.771 173.864 175.510 0.209 0.000 1.323 34 N CA -0.390 52.818 53.050 0.263 0.000 0.824 34 N CB 1.034 39.633 38.487 0.187 0.000 1.557 34 N HN 0.666 nan 8.380 nan 0.000 0.612 35 R N 2.088 122.743 120.500 0.257 0.000 2.561 35 R HA 0.383 4.723 4.340 0.000 0.000 0.297 35 R C -0.257 176.205 176.300 0.270 0.000 0.969 35 R CA -0.822 55.417 56.100 0.231 0.000 0.879 35 R CB 2.285 32.750 30.300 0.275 0.000 1.178 35 R HN 0.316 nan 8.270 nan 0.000 0.445 36 K N 1.616 122.146 120.400 0.217 0.000 2.436 36 K HA 0.278 4.598 4.320 0.000 0.000 0.275 36 K C 0.282 177.052 176.600 0.283 0.000 0.999 36 K CA -0.321 56.105 56.287 0.231 0.000 0.980 36 K CB 0.414 33.024 32.500 0.183 0.000 0.919 36 K HN 0.321 nan 8.250 nan 0.000 0.484 37 V N -0.848 119.225 119.914 0.264 0.000 3.112 37 V HA 0.647 4.767 4.120 0.000 0.000 0.310 37 V C -1.413 174.844 176.094 0.272 0.000 1.364 37 V CA -1.366 61.071 62.300 0.228 0.000 1.058 37 V CB 1.026 32.951 31.823 0.171 0.000 1.079 37 V HN 0.898 nan 8.190 nan 0.000 0.463 38 Y N -0.612 119.797 120.300 0.182 0.000 2.592 38 Y HA 0.920 5.470 4.550 0.000 0.000 0.334 38 Y C -1.126 174.897 175.900 0.204 0.000 1.136 38 Y CA -0.996 57.189 58.100 0.142 0.000 1.042 38 Y CB 1.432 39.958 38.460 0.109 0.000 1.325 38 Y HN 1.306 nan 8.280 nan 0.000 0.457 39 V N -0.712 119.426 119.914 0.374 0.000 3.049 39 V HA 0.566 4.686 4.120 0.000 0.000 0.309 39 V C -0.867 175.425 176.094 0.329 0.000 1.148 39 V CA -0.764 61.750 62.300 0.356 0.000 0.990 39 V CB 2.007 34.045 31.823 0.359 0.000 1.039 39 V HN 0.960 nan 8.190 nan 0.000 0.430 40 D N 1.576 122.169 120.400 0.321 0.000 2.488 40 D HA 0.147 4.787 4.640 0.000 0.000 0.238 40 D C 1.054 177.489 176.300 0.224 0.000 1.138 40 D CA 0.469 54.606 54.000 0.228 0.000 0.873 40 D CB 1.307 42.228 40.800 0.201 0.000 1.183 40 D HN 0.674 nan 8.370 nan 0.000 0.458 41 L N 3.836 125.149 121.223 0.149 0.000 1.948 41 L HA -0.194 4.146 4.340 0.000 0.000 0.212 41 L C 2.620 179.605 176.870 0.191 0.000 1.074 41 L CA 1.227 56.153 54.840 0.145 0.000 0.753 41 L CB -0.698 41.404 42.059 0.070 0.000 0.888 41 L HN 0.435 nan 8.230 nan 0.000 0.432 42 V N 0.011 120.004 119.914 0.133 0.000 2.236 42 V HA -0.441 3.679 4.120 0.000 0.000 0.255 42 V C 2.272 178.454 176.094 0.147 0.000 1.068 42 V CA 2.635 65.006 62.300 0.119 0.000 1.044 42 V CB -0.432 31.444 31.823 0.088 0.000 0.653 42 V HN 0.579 nan 8.190 nan 0.000 0.448 43 E N -0.862 119.436 120.200 0.165 0.000 2.033 43 E HA -0.262 4.088 4.350 0.000 0.000 0.199 43 E C 2.009 178.731 176.600 0.203 0.000 1.011 43 E CA 1.975 58.477 56.400 0.169 0.000 0.815 43 E CB -0.434 29.377 29.700 0.184 0.000 0.755 43 E HN 0.787 nan 8.360 nan 0.000 0.451 44 F N 1.964 121.991 119.950 0.129 0.000 2.126 44 F HA -0.238 4.289 4.527 0.000 0.000 0.299 44 F C 1.889 177.793 175.800 0.173 0.000 1.096 44 F CA 2.117 60.217 58.000 0.166 0.000 1.255 44 F CB -0.267 38.838 39.000 0.175 0.000 0.997 44 F HN -0.028 nan 8.300 nan 0.000 0.479 45 D N 0.083 120.697 120.400 0.356 0.000 2.095 45 D HA -0.255 4.385 4.640 0.000 0.000 0.192 45 D C 2.320 178.680 176.300 0.100 0.000 0.990 45 D CA 2.143 56.274 54.000 0.219 0.000 0.836 45 D CB -0.282 40.627 40.800 0.182 0.000 0.979 45 D HN 0.208 nan 8.370 nan 0.000 0.447 46 K N -0.346 120.110 120.400 0.093 0.000 2.081 46 K HA -0.290 4.030 4.320 0.000 0.000 0.222 46 K C 2.014 178.629 176.600 0.025 0.000 1.055 46 K CA 2.160 58.484 56.287 0.062 0.000 0.954 46 K CB -0.568 31.973 32.500 0.068 0.000 0.732 46 K HN 0.084 nan 8.250 nan 0.000 0.458 47 V N 0.582 120.488 119.914 -0.014 0.000 2.214 47 V HA -0.274 3.846 4.120 0.000 0.000 0.244 47 V C 2.059 178.043 176.094 -0.184 0.000 1.045 47 V CA 2.236 64.481 62.300 -0.091 0.000 0.993 47 V CB -0.715 31.020 31.823 -0.148 0.000 0.633 47 V HN 0.342 nan 8.190 nan 0.000 0.449 48 F N 1.050 120.748 119.950 -0.420 0.000 2.063 48 F HA -0.270 4.257 4.527 0.000 0.000 0.298 48 F C 2.660 178.357 175.800 -0.171 0.000 1.105 48 F CA 2.038 59.815 58.000 -0.372 0.000 1.215 48 F CB -0.391 38.283 39.000 -0.543 0.000 0.972 48 F HN -0.018 nan 8.300 nan 0.000 0.483 49 R N 0.434 121.064 120.500 0.216 0.000 2.136 49 R HA -0.240 4.100 4.340 0.000 0.000 0.242 49 R C 2.168 178.479 176.300 0.018 0.000 1.131 49 R CA 1.998 58.188 56.100 0.151 0.000 0.937 49 R CB -1.295 29.062 30.300 0.095 0.000 0.863 49 R HN 0.502 nan 8.270 nan 0.000 0.435 50 Q N -1.097 118.665 119.800 -0.062 0.000 1.775 50 Q HA 0.038 4.378 4.340 0.000 0.000 0.303 50 Q C 2.041 177.852 176.000 -0.315 0.000 0.954 50 Q CA 0.952 56.678 55.803 -0.128 0.000 0.883 50 Q CB -0.215 28.485 28.738 -0.063 0.000 0.916 50 Q HN 0.308 nan 8.270 nan 0.000 0.427 51 A N 0.773 123.176 122.820 -0.694 0.000 1.909 51 A HA -0.267 4.053 4.320 0.000 0.000 0.221 51 A C 1.186 178.492 177.584 -0.463 0.000 1.223 51 A CA 2.006 53.381 52.037 -1.104 0.000 0.658 51 A CB -1.096 16.763 19.000 -1.900 0.000 0.831 51 A HN 0.679 nan 8.150 nan 0.000 0.462 52 S N -1.920 113.447 115.700 -0.555 0.000 3.633 52 S HA -0.235 4.235 4.470 0.000 0.000 0.637 52 S C 0.222 174.426 174.600 -0.661 0.000 2.289 52 S CA 0.691 58.415 58.200 -0.793 0.000 2.476 52 S CB -1.819 61.222 63.200 -0.265 0.000 0.330 52 S HN 1.790 nan 8.310 nan 0.000 1.787 53 I N 0.613 120.793 120.570 -0.651 0.000 2.212 53 I HA 0.468 4.638 4.170 0.000 0.000 0.285 53 I C 0.507 176.330 176.117 -0.491 0.000 1.116 53 I CA -0.140 60.925 61.300 -0.391 0.000 1.644 53 I CB -0.784 37.034 38.000 -0.304 0.000 1.485 53 I HN 0.571 nan 8.210 nan 0.000 0.728 54 H N 2.941 121.948 119.070 -0.105 0.000 3.234 54 H HA 0.368 4.924 4.556 0.000 0.000 0.253 54 H C -0.779 174.331 175.328 -0.363 0.000 1.171 54 H CA -0.311 55.664 56.048 -0.123 0.000 0.990 54 H CB 0.450 30.179 29.762 -0.054 0.000 2.344 54 H HN 0.606 nan 8.280 nan 0.000 0.713 55 H N 0.160 119.232 119.070 0.004 0.000 3.140 55 H HA 0.080 4.636 4.556 0.000 0.000 0.336 55 H C -0.197 175.142 175.328 0.019 0.000 1.142 55 H CA -0.493 55.576 56.048 0.035 0.000 1.308 55 H CB 2.331 32.105 29.762 0.020 0.000 1.970 55 H HN -0.107 nan 8.280 nan 0.000 0.521 56 V N 3.864 123.874 119.914 0.160 0.000 2.814 56 V HA -0.089 4.031 4.120 0.000 0.000 0.307 56 V C 0.658 176.812 176.094 0.102 0.000 1.089 56 V CA 0.455 62.808 62.300 0.088 0.000 1.212 56 V CB -0.089 31.770 31.823 0.060 0.000 0.912 56 V HN 0.386 nan 8.190 nan 0.000 0.497 57 I N 4.530 125.111 120.570 0.018 0.000 2.439 57 I HA 0.295 4.465 4.170 0.000 0.000 0.285 57 I C -0.191 175.866 176.117 -0.098 0.000 1.021 57 I CA -0.574 60.707 61.300 -0.031 0.000 1.091 57 I CB 1.518 39.456 38.000 -0.103 0.000 1.242 57 I HN 0.280 nan 8.210 nan 0.000 0.439 58 V N 7.042 126.909 119.914 -0.078 0.000 2.389 58 V HA 0.265 4.385 4.120 0.000 0.000 0.264 58 V C 0.491 176.484 176.094 -0.169 0.000 1.049 58 V CA -0.438 61.794 62.300 -0.113 0.000 0.932 58 V CB 0.724 32.498 31.823 -0.083 0.000 1.011 58 V HN 0.412 nan 8.190 nan 0.000 0.475 59 L N 5.334 126.419 121.223 -0.229 0.000 2.276 59 L HA 0.476 4.816 4.340 0.000 0.000 0.286 59 L C 0.376 177.098 176.870 -0.246 0.000 1.061 59 L CA -0.188 54.480 54.840 -0.286 0.000 0.807 59 L CB 0.863 42.694 42.059 -0.380 0.000 1.177 59 L HN 0.625 nan 8.230 nan 0.000 0.429 60 E N 5.197 125.241 120.200 -0.259 0.000 2.092 60 E HA 0.419 4.769 4.350 0.000 0.000 0.271 60 E C -0.924 175.466 176.600 -0.351 0.000 0.919 60 E CA -0.433 55.816 56.400 -0.253 0.000 0.760 60 E CB 1.455 31.033 29.700 -0.203 0.000 1.106 60 E HN 0.449 nan 8.360 nan 0.000 0.408 61 L N 3.561 124.582 121.223 -0.337 0.000 2.379 61 L HA 0.287 4.627 4.340 0.000 0.000 0.269 61 L C -1.537 175.173 176.870 -0.267 0.000 1.084 61 L CA -2.175 52.413 54.840 -0.420 0.000 0.802 61 L CB 0.369 42.109 42.059 -0.532 0.000 1.175 61 L HN 0.237 nan 8.230 nan 0.000 0.448 62 P HA -0.187 nan 4.420 nan 0.000 0.218 62 P C 0.212 177.494 177.300 -0.031 0.000 1.146 62 P CA 1.272 64.326 63.100 -0.077 0.000 0.820 62 P CB 0.053 31.766 31.700 0.022 0.000 0.778 63 D N -0.747 119.642 120.400 -0.019 0.000 2.977 63 D HA 0.120 4.760 4.640 0.000 0.000 0.241 63 D C 1.518 177.805 176.300 -0.021 0.000 1.206 63 D CA 0.594 54.601 54.000 0.012 0.000 0.902 63 D CB -1.226 39.614 40.800 0.067 0.000 1.131 63 D HN 0.086 nan 8.370 nan 0.000 0.447 64 G N 1.023 109.799 108.800 -0.041 0.000 2.291 64 G HA2 -0.350 3.610 3.960 0.000 0.000 0.287 64 G HA3 -0.350 3.610 3.960 0.000 0.000 0.287 64 G C 0.640 175.503 174.900 -0.062 0.000 0.998 64 G CA 0.325 45.396 45.100 -0.049 0.000 0.728 64 G HN 0.332 nan 8.290 nan 0.000 0.519 65 Q N 0.296 120.050 119.800 -0.077 0.000 2.330 65 Q HA 0.358 4.698 4.340 0.000 0.000 0.279 65 Q C 0.600 176.536 176.000 -0.107 0.000 1.024 65 Q CA 1.050 56.804 55.803 -0.082 0.000 0.900 65 Q CB 1.123 29.806 28.738 -0.092 0.000 1.221 65 Q HN 0.684 nan 8.270 nan 0.000 0.396 66 S N 2.345 117.992 115.700 -0.087 0.000 2.259 66 S HA 0.380 4.850 4.470 0.000 0.000 0.181 66 S C -0.620 173.927 174.600 -0.089 0.000 1.589 66 S CA -0.829 57.314 58.200 -0.096 0.000 1.234 66 S CB 0.190 63.343 63.200 -0.077 0.000 1.119 66 S HN 0.270 nan 8.310 nan 0.000 0.458 67 L N 4.091 125.249 121.223 -0.108 0.000 2.265 67 L HA 0.538 4.878 4.340 0.000 0.000 0.288 67 L C -2.250 174.555 176.870 -0.107 0.000 1.058 67 L CA -1.956 52.828 54.840 -0.093 0.000 0.809 67 L CB 0.592 42.601 42.059 -0.083 0.000 1.179 67 L HN 0.366 nan 8.230 nan 0.000 0.429 68 P HA 0.293 nan 4.420 nan 0.000 0.287 68 P C -0.647 176.595 177.300 -0.096 0.000 1.307 68 P CA -0.240 62.808 63.100 -0.086 0.000 0.777 68 P CB 1.066 32.723 31.700 -0.072 0.000 0.883 69 T N 1.417 115.916 114.554 -0.091 0.000 2.669 69 T HA 0.813 5.163 4.350 0.000 0.000 0.283 69 T C -0.657 174.051 174.700 0.013 0.000 1.019 69 T CA -0.831 61.234 62.100 -0.057 0.000 1.039 69 T CB 1.111 69.949 68.868 -0.049 0.000 1.374 69 T HN 0.210 nan 8.240 nan 0.000 0.523 70 L N 0.152 121.455 121.223 0.133 0.000 2.518 70 L HA 0.575 4.915 4.340 0.000 0.000 0.257 70 L C -1.125 175.964 176.870 0.365 0.000 0.980 70 L CA -1.494 53.462 54.840 0.193 0.000 0.837 70 L CB 2.710 44.846 42.059 0.128 0.000 1.410 70 L HN 0.596 nan 8.230 nan 0.000 0.410 71 V N 1.697 121.819 119.914 0.347 0.000 2.408 71 V HA 0.309 4.429 4.120 0.000 0.000 0.267 71 V C 0.937 177.126 176.094 0.159 0.000 1.047 71 V CA -0.487 61.990 62.300 0.295 0.000 0.937 71 V CB 0.916 32.995 31.823 0.426 0.000 0.999 71 V HN 0.709 nan 8.190 nan 0.000 0.472 72 R N 2.665 123.231 120.500 0.110 0.000 2.223 72 R HA 0.145 4.486 4.340 0.000 0.000 0.198 72 R C 0.570 176.903 176.300 0.055 0.000 0.984 72 R CA 0.426 56.572 56.100 0.076 0.000 1.018 72 R CB 0.446 30.762 30.300 0.026 0.000 0.945 72 R HN 0.958 nan 8.270 nan 0.000 0.479 73 Q N -1.019 118.815 119.800 0.057 0.000 2.479 73 Q HA 0.282 4.622 4.340 0.000 0.000 0.276 73 Q C -1.945 174.074 176.000 0.031 0.000 0.989 73 Q CA -0.612 55.220 55.803 0.049 0.000 0.864 73 Q CB 2.015 30.779 28.738 0.044 0.000 1.444 73 Q HN -0.155 nan 8.270 nan 0.000 0.388 74 V N 3.142 123.073 119.914 0.028 0.000 2.447 74 V HA 0.387 4.507 4.120 0.000 0.000 0.292 74 V C -0.808 175.264 176.094 -0.036 0.000 1.021 74 V CA -0.822 61.455 62.300 -0.039 0.000 0.850 74 V CB 1.718 33.491 31.823 -0.083 0.000 1.005 74 V HN 0.765 nan 8.190 nan 0.000 0.426 75 N N 5.387 124.073 118.700 -0.024 0.000 2.444 75 N HA 0.484 5.224 4.740 0.000 0.000 0.271 75 N C -0.659 174.824 175.510 -0.045 0.000 1.069 75 N CA -0.261 52.777 53.050 -0.020 0.000 0.965 75 N CB 2.209 40.695 38.487 -0.001 0.000 1.092 75 N HN 0.486 nan 8.380 nan 0.000 0.476 76 L N 0.885 122.083 121.223 -0.042 0.000 2.379 76 L HA 0.183 4.523 4.340 0.000 0.000 0.269 76 L C 0.970 177.819 176.870 -0.036 0.000 1.084 76 L CA -0.552 54.261 54.840 -0.046 0.000 0.802 76 L CB 0.788 42.824 42.059 -0.039 0.000 1.175 76 L HN 0.411 nan 8.230 nan 0.000 0.448 77 D N 1.990 122.369 120.400 -0.035 0.000 2.881 77 D HA 0.046 4.686 4.640 0.000 0.000 0.240 77 D C 0.549 176.835 176.300 -0.024 0.000 1.249 77 D CA -0.010 53.973 54.000 -0.029 0.000 0.839 77 D CB 0.063 40.846 40.800 -0.029 0.000 1.042 77 D HN 0.350 nan 8.370 nan 0.000 0.475 78 K N 0.354 120.741 120.400 -0.023 0.000 1.804 78 K HA -0.289 4.031 4.320 0.000 0.000 0.138 78 K C 0.022 176.612 176.600 -0.016 0.000 0.925 78 K CA 1.602 57.878 56.287 -0.018 0.000 0.308 78 K CB -1.594 30.895 32.500 -0.018 0.000 0.710 78 K HN 0.538 nan 8.250 nan 0.000 0.806 79 R N 4.162 124.654 120.500 -0.014 0.000 3.853 79 R HA -0.121 4.219 4.340 0.000 0.000 0.254 79 R C -0.212 176.080 176.300 -0.012 0.000 0.565 79 R CA 0.691 56.784 56.100 -0.012 0.000 1.000 79 R CB -0.828 29.465 30.300 -0.012 0.000 0.943 79 R HN 0.443 nan 8.270 nan 0.000 0.331 80 R N 1.616 122.109 120.500 -0.010 0.000 1.558 80 R HA -0.183 4.157 4.340 0.000 0.000 0.397 80 R C -0.297 175.995 176.300 -0.012 0.000 1.289 80 R CA 1.096 57.190 56.100 -0.009 0.000 1.129 80 R CB -0.717 29.579 30.300 -0.008 0.000 3.317 80 R HN 0.904 nan 8.270 nan 0.000 0.487 81 R N 2.495 122.989 120.500 -0.011 0.000 2.842 81 R HA 0.074 4.414 4.340 0.000 0.000 0.260 81 R C 0.533 176.820 176.300 -0.022 0.000 1.495 81 R CA 0.275 56.366 56.100 -0.016 0.000 1.024 81 R CB 0.181 30.475 30.300 -0.010 0.000 1.147 81 R HN 0.320 nan 8.270 nan 0.000 0.553 82 R N 3.218 123.701 120.500 -0.028 0.000 2.437 82 R HA 0.321 4.661 4.340 0.000 0.000 0.310 82 R C -2.398 173.867 176.300 -0.059 0.000 0.955 82 R CA -2.467 53.612 56.100 -0.036 0.000 0.851 82 R CB 1.452 31.737 30.300 -0.026 0.000 1.161 82 R HN 0.247 nan 8.270 nan 0.000 0.446 83 P HA -0.096 nan 4.420 nan 0.000 0.263 83 P C -0.317 176.919 177.300 -0.107 0.000 1.175 83 P CA 0.383 63.401 63.100 -0.137 0.000 0.761 83 P CB 0.747 32.308 31.700 -0.232 0.000 0.794 84 E N 0.853 121.005 120.200 -0.080 0.000 2.251 84 E HA 0.018 4.368 4.350 0.000 0.000 0.194 84 E C 0.401 177.008 176.600 0.012 0.000 0.964 84 E CA 0.972 57.351 56.400 -0.034 0.000 0.868 84 E CB 0.356 30.047 29.700 -0.016 0.000 0.828 84 E HN 0.601 nan 8.360 nan 0.000 0.481 85 H N -0.934 118.031 119.070 -0.175 0.000 3.094 85 H HA 0.277 4.833 4.556 0.000 0.000 0.335 85 H C -1.604 173.571 175.328 -0.255 0.000 1.254 85 H CA -0.492 55.449 56.048 -0.179 0.000 1.240 85 H CB 1.722 31.419 29.762 -0.108 0.000 1.936 85 H HN -0.165 nan 8.280 nan 0.000 0.536 86 V N 1.731 121.158 119.914 -0.811 0.000 2.569 86 V HA 0.360 4.480 4.120 0.000 0.000 0.301 86 V C -0.408 175.180 176.094 -0.843 0.000 1.044 86 V CA -0.938 60.916 62.300 -0.742 0.000 0.874 86 V CB 1.778 33.037 31.823 -0.940 0.000 1.002 86 V HN 0.668 nan 8.190 nan 0.000 0.424 87 D N 4.180 124.304 120.400 -0.459 0.000 2.198 87 D HA 0.505 5.145 4.640 0.000 0.000 0.245 87 D C -0.983 175.106 176.300 -0.352 0.000 1.079 87 D CA -0.121 53.753 54.000 -0.211 0.000 0.854 87 D CB 2.144 43.084 40.800 0.232 0.000 1.148 87 D HN 0.466 nan 8.370 nan 0.000 0.456 88 F N 1.058 121.005 119.950 -0.006 0.000 2.436 88 F HA 0.304 4.831 4.527 0.000 0.000 0.340 88 F C 0.097 175.794 175.800 -0.172 0.000 1.113 88 F CA -1.245 56.741 58.000 -0.023 0.000 1.022 88 F CB 1.851 40.866 39.000 0.026 0.000 1.128 88 F HN 0.271 nan 8.300 nan 0.000 0.466 89 F N 4.550 124.458 119.950 -0.071 0.000 2.371 89 F HA 0.465 4.992 4.527 0.000 0.000 0.363 89 F C -0.418 175.338 175.800 -0.073 0.000 1.122 89 F CA -1.036 56.843 58.000 -0.202 0.000 1.129 89 F CB 0.622 39.553 39.000 -0.116 0.000 1.173 89 F HN 0.047 nan 8.300 nan 0.000 0.489 90 V N 7.725 127.617 119.914 -0.037 0.000 2.439 90 V HA 0.046 4.166 4.120 0.000 0.000 0.271 90 V C 0.563 176.409 176.094 -0.414 0.000 1.040 90 V CA -0.065 62.143 62.300 -0.152 0.000 1.002 90 V CB 0.598 32.414 31.823 -0.012 0.000 1.000 90 V HN 0.669 nan 8.190 nan 0.000 0.477 91 L N 4.080 125.091 121.223 -0.353 0.000 2.567 91 L HA 0.551 4.891 4.340 0.000 0.000 0.238 91 L C 0.797 177.546 176.870 -0.203 0.000 1.168 91 L CA -0.010 54.602 54.840 -0.380 0.000 0.817 91 L CB 1.108 43.011 42.059 -0.260 0.000 1.409 91 L HN 0.737 nan 8.230 nan 0.000 0.502 92 S N -1.577 114.031 115.700 -0.155 0.000 3.923 92 S HA 0.199 4.670 4.470 0.000 0.000 0.280 92 S C -0.493 174.072 174.600 -0.059 0.000 1.070 92 S CA -0.392 57.764 58.200 -0.073 0.000 1.300 92 S CB 0.786 63.968 63.200 -0.030 0.000 1.322 92 S HN 0.778 nan 8.310 nan 0.000 0.762 93 D N 0.380 120.759 120.400 -0.035 0.000 2.513 93 D HA 0.100 4.740 4.640 0.000 0.000 0.222 93 D C -0.787 175.501 176.300 -0.020 0.000 1.210 93 D CA -0.064 53.918 54.000 -0.030 0.000 0.825 93 D CB 0.233 41.019 40.800 -0.024 0.000 1.037 93 D HN 0.200 nan 8.370 nan 0.000 0.506 94 E N 3.346 123.537 120.200 -0.016 0.000 2.052 94 E HA 0.192 4.542 4.350 0.000 0.000 0.283 94 E C -2.128 174.469 176.600 -0.005 0.000 1.071 94 E CA -2.016 54.384 56.400 -0.000 0.000 0.851 94 E CB 1.083 30.797 29.700 0.022 0.000 1.066 94 E HN 0.218 nan 8.360 nan 0.000 0.396 95 P HA -0.106 nan 4.420 nan 0.000 0.253 95 P C -0.024 177.284 177.300 0.014 0.000 1.159 95 P CA 0.380 63.478 63.100 -0.003 0.000 0.779 95 P CB 0.486 32.185 31.700 -0.001 0.000 0.745 96 V N 3.789 123.711 119.914 0.014 0.000 2.732 96 V HA 0.226 4.346 4.120 0.000 0.000 0.310 96 V C 0.384 176.516 176.094 0.064 0.000 1.053 96 V CA -0.735 61.602 62.300 0.062 0.000 0.957 96 V CB 1.852 33.707 31.823 0.054 0.000 1.018 96 V HN 0.381 nan 8.190 nan 0.000 0.452 97 E N 4.764 125.021 120.200 0.095 0.000 2.366 97 E HA 0.680 5.030 4.350 0.000 0.000 0.266 97 E C -0.231 176.418 176.600 0.081 0.000 1.051 97 E CA 0.167 56.599 56.400 0.053 0.000 0.884 97 E CB 1.182 30.905 29.700 0.039 0.000 1.006 97 E HN 0.684 nan 8.360 nan 0.000 0.417 98 M N -0.601 119.011 119.600 0.020 0.000 3.043 98 M HA 0.354 4.834 4.480 0.000 0.000 0.264 98 M C -1.705 174.600 176.300 0.009 0.000 0.969 98 M CA -0.836 54.514 55.300 0.084 0.000 0.785 98 M CB 0.943 33.603 32.600 0.101 0.000 1.634 98 M HN 0.333 nan 8.290 nan 0.000 0.560 99 Y N 0.206 120.500 120.300 -0.010 0.000 2.316 99 Y HA 0.776 5.326 4.550 0.000 0.000 0.324 99 Y C -0.218 175.708 175.900 0.043 0.000 1.267 99 Y CA -0.630 57.482 58.100 0.020 0.000 1.311 99 Y CB 1.809 40.276 38.460 0.012 0.000 1.267 99 Y HN 0.514 nan 8.280 nan 0.000 0.516 100 V N 3.588 123.657 119.914 0.259 0.000 2.668 100 V HA 0.298 4.418 4.120 0.000 0.000 0.304 100 V C -2.340 173.907 176.094 0.256 0.000 1.071 100 V CA -2.314 60.118 62.300 0.219 0.000 0.894 100 V CB 2.154 34.021 31.823 0.074 0.000 1.008 100 V HN 0.545 nan 8.190 nan 0.000 0.425 101 P HA 0.177 nan 4.420 nan 0.000 0.272 101 P C -1.119 176.254 177.300 0.122 0.000 1.243 101 P CA 0.182 63.360 63.100 0.130 0.000 0.803 101 P CB 0.427 32.161 31.700 0.056 0.000 0.974 102 L N 0.185 121.454 121.223 0.077 0.000 2.476 102 L HA 0.451 4.791 4.340 0.000 0.000 0.269 102 L C 0.390 177.154 176.870 -0.176 0.000 0.965 102 L CA -0.756 54.018 54.840 -0.110 0.000 0.845 102 L CB 1.993 43.858 42.059 -0.322 0.000 1.259 102 L HN 0.257 nan 8.230 nan 0.000 0.403 103 R N 1.883 122.279 120.500 -0.173 0.000 2.582 103 R HA 0.492 4.832 4.340 0.000 0.000 0.271 103 R C -1.251 174.852 176.300 -0.327 0.000 1.078 103 R CA -0.103 55.890 56.100 -0.179 0.000 1.127 103 R CB 0.884 31.027 30.300 -0.262 0.000 1.038 103 R HN 0.331 nan 8.270 nan 0.000 0.500 104 F N 1.297 121.233 119.950 -0.022 0.000 2.532 104 F HA 0.199 4.726 4.527 0.000 0.000 0.365 104 F C 0.182 175.978 175.800 -0.007 0.000 1.112 104 F CA -0.737 57.263 58.000 0.001 0.000 1.082 104 F CB 1.423 40.426 39.000 0.004 0.000 1.319 104 F HN 0.154 nan 8.300 nan 0.000 0.457 105 V N 3.905 123.877 119.914 0.097 0.000 2.811 105 V HA 0.649 4.769 4.120 0.000 0.000 0.302 105 V C 0.810 176.946 176.094 0.071 0.000 1.063 105 V CA 0.916 63.253 62.300 0.062 0.000 1.088 105 V CB 0.745 32.590 31.823 0.037 0.000 0.982 105 V HN 1.001 nan 8.190 nan 0.000 0.485 106 G N 4.944 113.773 108.800 0.048 0.000 2.801 106 G HA2 -0.208 3.752 3.960 0.000 0.000 0.244 106 G HA3 -0.208 3.752 3.960 0.000 0.000 0.244 106 G C -0.091 174.836 174.900 0.044 0.000 1.385 106 G CA -0.069 45.055 45.100 0.040 0.000 0.894 106 G HN 1.228 nan 8.290 nan 0.000 0.562 107 T N 3.490 118.063 114.554 0.032 0.000 3.029 107 T HA 0.558 4.908 4.350 0.000 0.000 0.346 107 T C -1.974 172.741 174.700 0.026 0.000 1.211 107 T CA -0.482 61.633 62.100 0.025 0.000 1.009 107 T CB 1.515 70.392 68.868 0.015 0.000 1.084 107 T HN 0.671 nan 8.240 nan 0.000 0.536 108 P HA 0.224 nan 4.420 nan 0.000 0.264 108 P C 0.215 177.526 177.300 0.018 0.000 1.193 108 P CA -0.325 62.794 63.100 0.032 0.000 0.763 108 P CB 0.410 32.133 31.700 0.039 0.000 0.810 109 A N 2.877 125.707 122.820 0.018 0.000 2.615 109 A HA 0.337 4.657 4.320 0.000 0.000 0.230 109 A C 1.204 178.793 177.584 0.008 0.000 1.062 109 A CA 0.940 52.985 52.037 0.012 0.000 0.758 109 A CB -1.190 17.818 19.000 0.013 0.000 0.995 109 A HN 1.061 nan 8.150 nan 0.000 0.511 110 G N -0.694 108.108 108.800 0.004 0.000 2.932 110 G HA2 0.255 4.215 3.960 0.000 0.000 0.180 110 G HA3 0.255 4.215 3.960 0.000 0.000 0.180 110 G C -0.047 174.851 174.900 -0.003 0.000 1.072 110 G CA 0.188 45.287 45.100 -0.002 0.000 0.997 110 G HN 2.222 nan 8.290 nan 0.000 0.541 111 V N -0.501 119.412 119.914 -0.001 0.000 3.210 111 V HA 0.209 4.329 4.120 0.000 0.000 0.251 111 V C 2.066 178.160 176.094 0.000 0.000 1.795 111 V CA 1.798 64.097 62.300 -0.000 0.000 0.999 111 V CB -0.229 31.595 31.823 0.002 0.000 0.941 111 V HN 0.523 nan 8.190 nan 0.000 0.358 112 R N 1.634 122.135 120.500 0.002 0.000 2.066 112 R HA 0.328 4.668 4.340 0.000 0.000 0.224 112 R C 1.845 178.145 176.300 0.001 0.000 1.122 112 R CA 2.292 58.393 56.100 0.002 0.000 0.974 112 R CB -0.357 29.944 30.300 0.003 0.000 0.871 112 R HN 0.535 nan 8.270 nan 0.000 0.435 113 A N -1.050 121.771 122.820 0.000 0.000 2.195 113 A HA 0.484 4.804 4.320 0.000 0.000 0.210 113 A C 0.951 178.534 177.584 -0.002 0.000 1.165 113 A CA 0.633 52.670 52.037 -0.001 0.000 0.806 113 A CB -0.178 18.822 19.000 -0.000 0.000 0.847 113 A HN 0.590 nan 8.150 nan 0.000 0.482 114 G N -1.516 107.282 108.800 -0.003 0.000 2.464 114 G HA2 0.427 4.387 3.960 0.000 0.000 0.216 114 G HA3 0.427 4.387 3.960 0.000 0.000 0.216 114 G C 0.840 175.737 174.900 -0.006 0.000 1.186 114 G CA 0.126 45.224 45.100 -0.005 0.000 1.010 114 G HN 2.406 nan 8.290 nan 0.000 0.585 115 G N -2.403 106.392 108.800 -0.009 0.000 2.854 115 G HA2 0.420 4.380 3.960 0.000 0.000 0.686 115 G HA3 0.420 4.380 3.960 0.000 0.000 0.686 115 G C -0.496 174.395 174.900 -0.016 0.000 1.202 115 G CA 0.328 45.421 45.100 -0.011 0.000 0.878 115 G HN 1.983 nan 8.290 nan 0.000 0.583 116 V N 3.777 123.678 119.914 -0.022 0.000 2.841 116 V HA 0.725 4.845 4.120 0.000 0.000 0.310 116 V C 0.946 177.014 176.094 -0.043 0.000 1.090 116 V CA -0.488 61.793 62.300 -0.031 0.000 0.930 116 V CB 1.760 33.564 31.823 -0.033 0.000 1.014 116 V HN 1.366 nan 8.190 nan 0.000 0.425 117 L N 1.529 122.719 121.223 -0.056 0.000 2.476 117 L HA 0.541 4.881 4.340 0.000 0.000 0.264 117 L C -0.108 176.700 176.870 -0.104 0.000 1.224 117 L CA 0.040 54.834 54.840 -0.077 0.000 0.821 117 L CB 0.446 42.449 42.059 -0.094 0.000 1.101 117 L HN 0.855 nan 8.230 nan 0.000 0.488 118 Q N 1.640 121.373 119.800 -0.112 0.000 2.320 118 Q HA 0.195 4.535 4.340 0.000 0.000 0.268 118 Q C -0.890 175.020 176.000 -0.150 0.000 1.023 118 Q CA -0.597 55.139 55.803 -0.111 0.000 0.744 118 Q CB 1.326 30.023 28.738 -0.068 0.000 1.246 118 Q HN 0.838 nan 8.270 nan 0.000 0.462 119 E N 5.281 125.352 120.200 -0.215 0.000 2.127 119 E HA -0.002 4.348 4.350 0.000 0.000 0.295 119 E C 0.296 176.858 176.600 -0.064 0.000 1.155 119 E CA -0.006 56.236 56.400 -0.263 0.000 1.201 119 E CB -0.346 29.145 29.700 -0.348 0.000 1.083 119 E HN 0.685 nan 8.360 nan 0.000 0.472 120 I N 0.873 121.436 120.570 -0.011 0.000 3.233 120 I HA -0.174 3.996 4.170 0.000 0.000 0.287 120 I C 0.210 176.413 176.117 0.143 0.000 1.329 120 I CA 0.892 62.220 61.300 0.046 0.000 1.385 120 I CB -0.889 37.139 38.000 0.047 0.000 1.053 120 I HN 0.612 nan 8.210 nan 0.000 0.525 121 H N -0.495 118.632 119.070 0.095 0.000 5.313 121 H HA 0.115 4.671 4.556 0.000 0.000 0.797 121 H C 0.950 176.426 175.328 0.247 0.000 1.957 121 H CA -0.305 55.841 56.048 0.164 0.000 1.552 121 H CB 0.235 30.099 29.762 0.170 0.000 3.837 121 H HN -0.038 nan 8.280 nan 0.000 0.646 122 R N 1.594 122.285 120.500 0.319 0.000 2.241 122 R HA -0.061 4.279 4.340 0.000 0.000 0.224 122 R C -0.752 175.763 176.300 0.358 0.000 1.101 122 R CA 1.847 58.150 56.100 0.338 0.000 0.995 122 R CB 0.155 30.562 30.300 0.180 0.000 0.870 122 R HN 0.661 nan 8.270 nan 0.000 0.463 123 D N -0.495 120.177 120.400 0.454 0.000 2.688 123 D HA 0.150 4.790 4.640 0.000 0.000 0.210 123 D C -0.212 176.429 176.300 0.568 0.000 1.333 123 D CA -0.720 53.546 54.000 0.444 0.000 0.920 123 D CB 0.744 41.845 40.800 0.502 0.000 1.554 123 D HN 0.201 nan 8.370 nan 0.000 0.579 124 I N -0.542 120.184 120.570 0.261 0.000 2.934 124 I HA 0.635 4.805 4.170 0.000 0.000 0.315 124 I C -0.841 175.209 176.117 -0.112 0.000 0.997 124 I CA -1.258 60.062 61.300 0.032 0.000 1.184 124 I CB 1.417 39.304 38.000 -0.188 0.000 1.400 124 I HN 0.535 nan 8.210 nan 0.000 0.549 125 L N 5.110 126.075 121.223 -0.430 0.000 2.343 125 L HA 0.777 5.117 4.340 0.000 0.000 0.275 125 L C -0.624 176.092 176.870 -0.257 0.000 1.056 125 L CA -0.645 53.854 54.840 -0.568 0.000 0.804 125 L CB 1.574 43.050 42.059 -0.971 0.000 1.203 125 L HN 0.743 nan 8.230 nan 0.000 0.440 126 V N 0.886 120.699 119.914 -0.168 0.000 3.216 126 V HA 0.470 4.590 4.120 0.000 0.000 0.302 126 V C -0.972 175.084 176.094 -0.063 0.000 1.286 126 V CA -1.177 61.064 62.300 -0.099 0.000 1.048 126 V CB 1.694 33.472 31.823 -0.074 0.000 1.081 126 V HN 0.832 nan 8.190 nan 0.000 0.442 127 K N 1.341 121.714 120.400 -0.045 0.000 2.322 127 K HA 0.711 5.031 4.320 0.000 0.000 0.283 127 K C -1.390 175.196 176.600 -0.024 0.000 1.042 127 K CA -0.205 56.068 56.287 -0.024 0.000 0.958 127 K CB 1.242 33.732 32.500 -0.018 0.000 0.984 127 K HN 0.739 nan 8.250 nan 0.000 0.473 128 V N 2.326 122.230 119.914 -0.016 0.000 2.969 128 V HA 0.120 4.240 4.120 0.000 0.000 0.304 128 V C -0.891 175.192 176.094 -0.019 0.000 1.192 128 V CA -0.903 61.384 62.300 -0.022 0.000 0.962 128 V CB 2.202 34.008 31.823 -0.028 0.000 1.045 128 V HN 0.879 nan 8.190 nan 0.000 0.428 129 S N 4.641 120.327 115.700 -0.024 0.000 2.513 129 S HA 0.392 4.862 4.470 0.000 0.000 0.276 129 S C -1.506 173.075 174.600 -0.033 0.000 1.254 129 S CA -1.243 56.941 58.200 -0.026 0.000 1.053 129 S CB 1.509 64.695 63.200 -0.024 0.000 0.958 129 S HN 0.579 nan 8.310 nan 0.000 0.491 130 P HA -0.167 nan 4.420 nan 0.000 0.218 130 P C 0.994 178.273 177.300 -0.035 0.000 1.154 130 P CA 1.462 64.537 63.100 -0.041 0.000 0.872 130 P CB 0.043 31.711 31.700 -0.053 0.000 0.790 131 R N -1.444 119.036 120.500 -0.033 0.000 2.303 131 R HA -0.034 4.306 4.340 0.000 0.000 0.225 131 R C 0.081 176.362 176.300 -0.031 0.000 1.114 131 R CA 0.766 56.848 56.100 -0.030 0.000 1.007 131 R CB -0.575 29.709 30.300 -0.028 0.000 0.861 131 R HN 0.305 nan 8.270 nan 0.000 0.471 132 N N 0.439 119.119 118.700 -0.034 0.000 2.685 132 N HA 0.221 4.961 4.740 0.000 0.000 0.252 132 N C -1.287 174.196 175.510 -0.045 0.000 1.261 132 N CA -0.171 52.855 53.050 -0.039 0.000 0.768 132 N CB 1.404 39.868 38.487 -0.039 0.000 1.304 132 N HN -0.006 nan 8.380 nan 0.000 0.536 133 I N 2.790 123.332 120.570 -0.047 0.000 2.464 133 I HA 0.242 4.412 4.170 0.000 0.000 0.277 133 I C -1.918 174.154 176.117 -0.076 0.000 1.040 133 I CA -1.697 59.571 61.300 -0.055 0.000 1.153 133 I CB 1.560 39.533 38.000 -0.045 0.000 1.274 133 I HN 0.008 nan 8.210 nan 0.000 0.469 134 P HA 0.036 nan 4.420 nan 0.000 0.261 134 P C 0.463 177.675 177.300 -0.147 0.000 1.183 134 P CA 0.277 63.294 63.100 -0.137 0.000 0.761 134 P CB 1.204 32.824 31.700 -0.133 0.000 0.785 135 E N 1.683 121.778 120.200 -0.176 0.000 2.012 135 E HA -0.143 4.207 4.350 0.000 0.000 0.197 135 E C 0.681 177.293 176.600 0.020 0.000 1.007 135 E CA 1.482 57.837 56.400 -0.075 0.000 0.816 135 E CB -0.131 29.606 29.700 0.062 0.000 0.762 135 E HN 0.646 nan 8.360 nan 0.000 0.451 136 F N -2.044 117.899 119.950 -0.011 0.000 2.953 136 F HA 0.623 5.150 4.527 0.000 0.000 0.360 136 F C -0.622 175.154 175.800 -0.041 0.000 1.249 136 F CA -1.370 56.617 58.000 -0.022 0.000 1.063 136 F CB 0.989 39.982 39.000 -0.012 0.000 1.500 136 F HN -0.326 nan 8.300 nan 0.000 0.517 137 I N 0.817 121.539 120.570 0.254 0.000 2.644 137 I HA 0.246 4.416 4.170 0.000 0.000 0.291 137 I C -0.876 175.306 176.117 0.108 0.000 1.180 137 I CA -0.863 60.482 61.300 0.074 0.000 1.040 137 I CB 1.833 39.822 38.000 -0.018 0.000 1.255 137 I HN 0.725 nan 8.210 nan 0.000 0.422 138 E N 3.975 124.223 120.200 0.080 0.000 2.354 138 E HA 0.395 4.745 4.350 0.000 0.000 0.269 138 E C -0.860 175.678 176.600 -0.104 0.000 1.036 138 E CA -0.338 56.077 56.400 0.025 0.000 0.876 138 E CB 1.783 31.521 29.700 0.063 0.000 1.009 138 E HN 0.237 nan 8.360 nan 0.000 0.416 139 V N 3.510 123.312 119.914 -0.187 0.000 2.325 139 V HA 0.023 4.143 4.120 0.000 0.000 0.280 139 V C -0.562 175.509 176.094 -0.037 0.000 1.016 139 V CA -0.799 61.393 62.300 -0.181 0.000 0.818 139 V CB 1.066 32.623 31.823 -0.444 0.000 1.019 139 V HN 0.649 nan 8.190 nan 0.000 0.434 140 D N 2.785 123.183 120.400 -0.003 0.000 2.488 140 D HA -0.030 4.610 4.640 0.000 0.000 0.260 140 D C 0.502 176.833 176.300 0.051 0.000 1.273 140 D CA 0.155 54.170 54.000 0.026 0.000 0.912 140 D CB -0.049 40.763 40.800 0.019 0.000 0.982 140 D HN 0.315 nan 8.370 nan 0.000 0.492 141 V N 0.669 120.634 119.914 0.085 0.000 2.572 141 V HA 0.296 4.416 4.120 0.000 0.000 0.291 141 V C 0.769 176.916 176.094 0.088 0.000 1.039 141 V CA 1.073 63.438 62.300 0.109 0.000 1.055 141 V CB 0.965 32.899 31.823 0.185 0.000 0.969 141 V HN 0.510 nan 8.190 nan 0.000 0.482 142 S N 3.500 119.239 115.700 0.064 0.000 3.327 142 S HA 0.089 4.559 4.470 0.000 0.000 0.175 142 S C 1.305 175.927 174.600 0.036 0.000 0.888 142 S CA 0.345 58.574 58.200 0.048 0.000 1.332 142 S CB -0.446 62.779 63.200 0.043 0.000 1.191 142 S HN 1.323 nan 8.310 nan 0.000 0.367 143 G N 2.196 111.016 108.800 0.034 0.000 3.379 143 G HA2 0.478 4.438 3.960 0.000 0.000 0.253 143 G HA3 0.478 4.438 3.960 0.000 0.000 0.253 143 G C -0.184 174.734 174.900 0.030 0.000 1.262 143 G CA 0.118 45.235 45.100 0.028 0.000 0.959 143 G HN 0.344 nan 8.290 nan 0.000 0.524 144 L N 0.902 122.145 121.223 0.035 0.000 2.316 144 L HA 0.522 4.862 4.340 0.000 0.000 0.280 144 L C -0.299 176.588 176.870 0.028 0.000 1.006 144 L CA -1.044 53.817 54.840 0.036 0.000 0.836 144 L CB 1.038 43.126 42.059 0.049 0.000 1.221 144 L HN 0.051 nan 8.230 nan 0.000 0.418 145 E N 2.177 122.391 120.200 0.022 0.000 2.267 145 E HA 0.325 4.675 4.350 0.000 0.000 0.258 145 E C 1.284 177.891 176.600 0.012 0.000 1.074 145 E CA -0.504 55.905 56.400 0.015 0.000 0.915 145 E CB 1.118 30.825 29.700 0.013 0.000 1.186 145 E HN 0.502 nan 8.360 nan 0.000 0.439 146 I N -0.661 119.913 120.570 0.006 0.000 2.908 146 I HA -0.078 4.092 4.170 0.000 0.000 0.271 146 I C 1.304 177.423 176.117 0.004 0.000 1.275 146 I CA 1.417 62.718 61.300 0.002 0.000 1.446 146 I CB -0.703 37.296 38.000 -0.001 0.000 1.092 146 I HN 0.428 nan 8.210 nan 0.000 0.482 147 G N 2.436 111.242 108.800 0.010 0.000 2.844 147 G HA2 -0.254 3.706 3.960 0.000 0.000 0.211 147 G HA3 -0.254 3.706 3.960 0.000 0.000 0.211 147 G C 0.306 175.214 174.900 0.013 0.000 1.368 147 G CA 1.538 46.646 45.100 0.013 0.000 0.815 147 G HN 0.693 nan 8.290 nan 0.000 0.649 148 D N -1.353 119.059 120.400 0.020 0.000 2.541 148 D HA 0.555 5.195 4.640 0.000 0.000 0.276 148 D C 0.300 176.604 176.300 0.006 0.000 1.190 148 D CA 0.079 54.091 54.000 0.021 0.000 1.095 148 D CB 0.863 41.693 40.800 0.050 0.000 1.173 148 D HN 0.617 nan 8.370 nan 0.000 0.604 149 S N -1.685 114.011 115.700 -0.008 0.000 2.671 149 S HA 0.662 5.132 4.470 0.000 0.000 0.277 149 S C -1.240 173.359 174.600 -0.002 0.000 1.165 149 S CA -1.069 57.112 58.200 -0.031 0.000 0.822 149 S CB 0.917 64.053 63.200 -0.106 0.000 1.150 149 S HN 0.704 nan 8.310 nan 0.000 0.479 150 L N -0.043 121.208 121.223 0.047 0.000 2.303 150 L HA 0.891 5.231 4.340 0.000 0.000 0.266 150 L C -0.710 176.337 176.870 0.296 0.000 1.011 150 L CA -0.703 54.289 54.840 0.253 0.000 0.818 150 L CB 0.331 42.505 42.059 0.191 0.000 1.326 150 L HN 1.129 nan 8.230 nan 0.000 0.435 151 H N -0.871 118.221 119.070 0.036 0.000 2.967 151 H HA 0.845 5.401 4.556 0.000 0.000 0.318 151 H C 0.115 175.442 175.328 -0.002 0.000 1.375 151 H CA -0.666 55.394 56.048 0.020 0.000 1.132 151 H CB 0.378 30.156 29.762 0.025 0.000 1.848 151 H HN 1.147 nan 8.280 nan 0.000 0.524 152 A N -0.013 122.854 122.820 0.078 0.000 5.818 152 A HA -0.220 4.100 4.320 0.000 0.000 0.265 152 A C 0.826 178.394 177.584 -0.027 0.000 2.155 152 A CA 0.836 52.862 52.037 -0.018 0.000 0.711 152 A CB -2.049 16.896 19.000 -0.092 0.000 1.085 152 A HN 1.404 nan 8.150 nan 0.000 0.357 153 S N 1.135 116.810 115.700 -0.043 0.000 4.085 153 S HA 0.401 4.871 4.470 0.000 0.000 0.189 153 S C -0.368 174.216 174.600 -0.027 0.000 1.392 153 S CA 0.710 58.888 58.200 -0.036 0.000 0.972 153 S CB -1.271 61.906 63.200 -0.038 0.000 1.482 153 S HN 0.477 nan 8.310 nan 0.000 0.446 154 D N 2.339 122.730 120.400 -0.015 0.000 2.891 154 D HA 0.380 5.020 4.640 0.000 0.000 0.312 154 D C -0.788 175.505 176.300 -0.011 0.000 1.354 154 D CA -0.006 53.992 54.000 -0.002 0.000 0.838 154 D CB 0.397 41.214 40.800 0.029 0.000 1.117 154 D HN 0.370 nan 8.370 nan 0.000 0.473 155 L N -0.377 120.831 121.223 -0.025 0.000 2.472 155 L HA 0.371 4.711 4.340 0.000 0.000 0.260 155 L C 0.156 177.005 176.870 -0.036 0.000 0.963 155 L CA -1.075 53.743 54.840 -0.037 0.000 0.829 155 L CB 2.567 44.595 42.059 -0.051 0.000 1.348 155 L HN -0.272 nan 8.230 nan 0.000 0.408 156 K N 3.119 123.498 120.400 -0.036 0.000 2.021 156 K HA 0.175 4.495 4.320 0.000 0.000 0.238 156 K C -0.523 176.048 176.600 -0.048 0.000 1.149 156 K CA -0.231 56.034 56.287 -0.037 0.000 1.105 156 K CB 0.066 32.546 32.500 -0.033 0.000 1.246 156 K HN 0.468 nan 8.250 nan 0.000 0.307 157 L N 7.149 128.345 121.223 -0.045 0.000 2.536 157 L HA 0.116 4.456 4.340 0.000 0.000 0.282 157 L C -1.680 175.159 176.870 -0.051 0.000 1.147 157 L CA -1.258 53.552 54.840 -0.050 0.000 0.936 157 L CB -0.224 41.808 42.059 -0.045 0.000 1.279 157 L HN 0.466 nan 8.230 nan 0.000 0.461 158 P HA 0.018 nan 4.420 nan 0.000 0.269 158 P C -2.485 174.785 177.300 -0.051 0.000 1.205 158 P CA -0.952 62.110 63.100 -0.063 0.000 0.780 158 P CB -0.493 31.157 31.700 -0.083 0.000 0.858 159 P HA 0.092 nan 4.420 nan 0.000 0.264 159 P C 0.988 178.265 177.300 -0.038 0.000 1.193 159 P CA 1.364 64.442 63.100 -0.038 0.000 0.763 159 P CB -0.113 31.566 31.700 -0.034 0.000 0.810 160 G N 1.571 110.351 108.800 -0.034 0.000 2.175 160 G HA2 -0.179 3.781 3.960 0.000 0.000 0.244 160 G HA3 -0.179 3.781 3.960 0.000 0.000 0.244 160 G C -0.112 174.767 174.900 -0.035 0.000 0.982 160 G CA -0.214 44.867 45.100 -0.032 0.000 0.641 160 G HN 0.513 nan 8.290 nan 0.000 0.527 161 V N 2.413 122.303 119.914 -0.039 0.000 2.327 161 V HA 0.379 4.499 4.120 0.000 0.000 0.272 161 V C 0.047 176.117 176.094 -0.040 0.000 1.019 161 V CA -0.679 61.596 62.300 -0.042 0.000 0.814 161 V CB 1.094 32.886 31.823 -0.051 0.000 1.040 161 V HN 0.473 nan 8.190 nan 0.000 0.440 162 E N 5.286 125.464 120.200 -0.036 0.000 2.167 162 E HA 0.490 4.840 4.350 0.000 0.000 0.284 162 E C 0.099 176.674 176.600 -0.041 0.000 1.016 162 E CA -0.793 55.586 56.400 -0.035 0.000 0.817 162 E CB 1.835 31.518 29.700 -0.028 0.000 1.080 162 E HN 0.704 nan 8.360 nan 0.000 0.397 163 L N 0.380 121.577 121.223 -0.043 0.000 2.653 163 L HA 0.126 4.466 4.340 0.000 0.000 0.288 163 L C 0.159 176.999 176.870 -0.050 0.000 1.243 163 L CA 0.137 54.947 54.840 -0.050 0.000 0.906 163 L CB 0.071 42.102 42.059 -0.046 0.000 1.154 163 L HN 0.700 nan 8.230 nan 0.000 0.498 164 A N 3.458 126.239 122.820 -0.065 0.000 2.709 164 A HA 0.530 4.850 4.320 0.000 0.000 0.241 164 A C 0.613 178.152 177.584 -0.075 0.000 0.879 164 A CA -0.110 51.890 52.037 -0.062 0.000 1.120 164 A CB 0.416 19.381 19.000 -0.060 0.000 1.226 164 A HN 0.635 nan 8.150 nan 0.000 0.468 165 V N -0.424 119.447 119.914 -0.072 0.000 2.868 165 V HA 0.057 4.177 4.120 0.000 0.000 0.227 165 V C 2.189 178.267 176.094 -0.027 0.000 1.136 165 V CA 2.041 64.303 62.300 -0.063 0.000 1.206 165 V CB 0.578 32.351 31.823 -0.083 0.000 0.997 165 V HN 0.611 nan 8.190 nan 0.000 0.505 166 S N 0.163 115.850 115.700 -0.022 0.000 2.998 166 S HA 0.309 4.779 4.470 0.000 0.000 0.208 166 S C -1.872 172.718 174.600 -0.016 0.000 0.876 166 S CA -0.052 58.144 58.200 -0.007 0.000 0.836 166 S CB -1.412 61.793 63.200 0.010 0.000 0.817 166 S HN 0.541 nan 8.310 nan 0.000 0.631 167 P HA 0.742 nan 4.420 nan 0.000 0.296 167 P C -0.784 176.501 177.300 -0.026 0.000 1.306 167 P CA 0.187 63.271 63.100 -0.027 0.000 0.818 167 P CB 1.802 33.478 31.700 -0.040 0.000 0.969 168 E N 0.196 120.399 120.200 0.004 0.000 1.569 168 E HA -0.037 4.313 4.350 0.000 0.000 0.189 168 E C -0.333 176.360 176.600 0.156 0.000 0.816 168 E CA 0.050 56.466 56.400 0.027 0.000 1.107 168 E CB -0.785 28.927 29.700 0.019 0.000 3.673 168 E HN 0.571 nan 8.360 nan 0.000 0.629 169 E N 1.314 121.591 120.200 0.129 0.000 2.217 169 E HA 0.258 4.608 4.350 0.000 0.000 0.279 169 E C -0.121 176.590 176.600 0.185 0.000 1.068 169 E CA 0.054 56.544 56.400 0.150 0.000 0.882 169 E CB 0.727 30.495 29.700 0.114 0.000 1.039 169 E HN 0.116 nan 8.360 nan 0.000 0.418 170 T N 3.540 118.171 114.554 0.128 0.000 2.793 170 T HA 0.054 4.404 4.350 0.000 0.000 0.289 170 T C 1.079 175.825 174.700 0.077 0.000 0.956 170 T CA -0.326 61.743 62.100 -0.053 0.000 1.177 170 T CB -0.189 68.517 68.868 -0.269 0.000 0.897 170 T HN 0.599 nan 8.240 nan 0.000 0.533 171 I N 1.196 121.827 120.570 0.103 0.000 3.764 171 I HA 0.632 4.802 4.170 0.000 0.000 0.336 171 I C 0.353 176.624 176.117 0.258 0.000 1.465 171 I CA -0.699 60.710 61.300 0.182 0.000 1.221 171 I CB -1.380 36.693 38.000 0.122 0.000 1.348 171 I HN 1.066 nan 8.210 nan 0.000 0.432 172 A N 1.126 124.030 122.820 0.140 0.000 2.425 172 A HA 0.541 4.861 4.320 0.000 0.000 0.681 172 A C -0.961 176.625 177.584 0.003 0.000 0.148 172 A CA -0.275 51.794 52.037 0.054 0.000 0.065 172 A CB -1.167 17.853 19.000 0.034 0.000 3.941 172 A HN 1.514 nan 8.150 nan 0.000 0.545 173 A N 0.670 123.468 122.820 -0.036 0.000 2.539 173 A HA 0.846 5.166 4.320 0.000 0.000 0.296 173 A C -0.695 176.865 177.584 -0.040 0.000 1.073 173 A CA -0.084 51.930 52.037 -0.038 0.000 0.700 173 A CB 1.610 20.581 19.000 -0.048 0.000 1.296 173 A HN 2.108 nan 8.150 nan 0.000 0.405 174 V N 1.964 121.863 119.914 -0.025 0.000 2.407 174 V HA 0.568 4.688 4.120 0.000 0.000 0.278 174 V C 0.218 176.300 176.094 -0.021 0.000 1.037 174 V CA -0.055 62.230 62.300 -0.025 0.000 0.900 174 V CB 1.031 32.848 31.823 -0.011 0.000 0.983 174 V HN 1.252 nan 8.190 nan 0.000 0.459 175 V N 4.384 124.284 119.914 -0.025 0.000 3.126 175 V HA 0.833 4.953 4.120 0.000 0.000 0.314 175 V C -2.753 173.331 176.094 -0.017 0.000 1.138 175 V CA -2.446 59.842 62.300 -0.020 0.000 1.034 175 V CB 2.509 34.318 31.823 -0.023 0.000 1.075 175 V HN 0.675 nan 8.190 nan 0.000 0.442 176 P HA 0.472 nan 4.420 nan 0.000 0.282 176 P C -2.533 174.761 177.300 -0.011 0.000 1.249 176 P CA -1.193 61.901 63.100 -0.010 0.000 0.806 176 P CB 0.329 32.024 31.700 -0.007 0.000 0.984 177 P HA 0.132 nan 4.420 nan 0.000 0.291 177 P C -0.284 177.010 177.300 -0.010 0.000 1.287 177 P CA 0.148 63.242 63.100 -0.011 0.000 0.767 177 P CB 0.476 32.170 31.700 -0.009 0.000 1.290 178 E N -0.499 119.696 120.200 -0.009 0.000 2.191 178 E HA 0.563 4.913 4.350 0.000 0.000 0.278 178 E C 0.004 176.601 176.600 -0.006 0.000 0.972 178 E CA -0.014 56.382 56.400 -0.008 0.000 0.804 178 E CB 1.067 30.762 29.700 -0.008 0.000 1.110 178 E HN 0.704 nan 8.360 nan 0.000 0.394 179 D N 0.000 120.397 120.400 -0.005 0.000 6.856 179 D HA 0.000 4.640 4.640 0.000 0.000 0.175 179 D CA 0.000 nan 54.000 nan 0.000 0.868 179 D CB 0.000 nan 40.800 nan 0.000 0.688 179 D HN 0.000 nan 8.370 nan 0.000 0.683