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 1n47_1_C DATA FIRST_RESID 1 DATA SEQUENCE TESTSFSFTN FNPNQNNLIL QEDALVNSAG TLELTAVAAG APVPDSLGRA DATA SEQUENCE LYAAPIHIHD NTTLASFTTS FSFVMAAPAA AAVADGLAFF LAPPDTQPQA DATA SEQUENCE RGGFLGLFAD RAHDASYQTV AVEFDTYSNA WDPNYTHIGI DTNGIESKKT DATA SEQUENCE TPFDMVYGEK ANIVITYQAS TKALAASLVF PVSQTSYAVS ARVDLRDILP DATA SEQUENCE EYVRVGFSAT TGLNAGVVET HDIVSWSFAV SLA 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 1 T HA 0.000 nan 4.350 nan 0.000 0.228 1 T C 0.000 174.724 174.700 0.040 0.000 1.109 1 T CA 0.000 62.114 62.100 0.023 0.000 1.349 1 T CB 0.000 68.880 68.868 0.020 0.000 0.612 2 E N 1.198 121.423 120.200 0.041 0.000 2.308 2 E HA 0.695 5.047 4.350 0.004 0.000 0.275 2 E C -1.143 175.497 176.600 0.067 0.000 0.890 2 E CA -0.807 55.636 56.400 0.071 0.000 0.754 2 E CB 1.982 31.745 29.700 0.105 0.000 1.207 2 E HN 0.665 nan 8.360 nan 0.000 0.426 3 S N 0.898 116.644 115.700 0.078 0.000 2.549 3 S HA 0.730 5.203 4.470 0.004 0.000 0.280 3 S C -0.745 173.916 174.600 0.102 0.000 1.109 3 S CA -0.736 57.508 58.200 0.074 0.000 0.905 3 S CB 2.097 65.320 63.200 0.039 0.000 1.081 3 S HN 0.275 nan 8.310 nan 0.000 0.477 4 T N 1.782 116.408 114.554 0.119 0.000 2.893 4 T HA 0.848 5.200 4.350 0.004 0.000 0.293 4 T C -0.816 173.932 174.700 0.079 0.000 1.027 4 T CA -0.677 61.513 62.100 0.150 0.000 0.988 4 T CB 1.567 70.580 68.868 0.242 0.000 1.043 4 T HN 1.186 nan 8.240 nan 0.000 0.461 5 S N 2.040 117.757 115.700 0.029 0.000 2.537 5 S HA 0.887 5.359 4.470 0.004 0.000 0.270 5 S C -1.417 173.089 174.600 -0.156 0.000 1.142 5 S CA -1.044 57.063 58.200 -0.154 0.000 0.870 5 S CB 1.171 64.284 63.200 -0.145 0.000 1.112 5 S HN 0.826 nan 8.310 nan 0.000 0.466 6 F N -0.544 119.248 119.950 -0.263 0.000 2.654 6 F HA 0.900 5.429 4.527 0.005 0.000 0.308 6 F C -0.714 174.822 175.800 -0.440 0.000 1.108 6 F CA -0.514 57.229 58.000 -0.429 0.000 0.957 6 F CB 1.417 40.001 39.000 -0.693 0.000 1.309 6 F HN 0.950 nan 8.300 nan 0.000 0.446 7 S N 0.850 116.362 115.700 -0.313 0.000 2.537 7 S HA 0.845 5.317 4.470 0.004 0.000 0.270 7 S C -1.895 172.435 174.600 -0.450 0.000 1.142 7 S CA -0.682 57.365 58.200 -0.254 0.000 0.870 7 S CB 1.645 64.764 63.200 -0.136 0.000 1.112 7 S HN 0.654 nan 8.310 nan 0.000 0.466 8 F N 0.896 120.862 119.950 0.026 0.000 2.536 8 F HA 0.505 5.034 4.527 0.004 0.000 0.322 8 F C 1.222 176.936 175.800 -0.143 0.000 1.144 8 F CA -0.750 57.172 58.000 -0.130 0.000 0.924 8 F CB 2.588 41.363 39.000 -0.374 0.000 1.181 8 F HN 0.683 nan 8.300 nan 0.000 0.438 9 T N 1.700 116.271 114.554 0.028 0.000 3.057 9 T HA 0.062 4.414 4.350 0.004 0.000 0.254 9 T C 0.140 174.828 174.700 -0.019 0.000 1.094 9 T CA 0.501 62.614 62.100 0.021 0.000 1.088 9 T CB -0.380 68.500 68.868 0.020 0.000 0.934 9 T HN 0.708 nan 8.240 nan 0.000 0.497 10 N N -0.498 118.123 118.700 -0.132 0.000 3.348 10 N HA 0.203 4.946 4.740 0.004 0.000 0.233 10 N C -1.837 173.491 175.510 -0.303 0.000 1.440 10 N CA -0.545 52.424 53.050 -0.134 0.000 0.887 10 N CB 0.534 39.044 38.487 0.039 0.000 1.410 10 N HN 0.006 nan 8.380 nan 0.000 0.502 11 F N -0.186 119.835 119.950 0.118 0.000 2.613 11 F HA 0.556 5.085 4.527 0.003 0.000 0.342 11 F C 0.493 176.336 175.800 0.072 0.000 1.066 11 F CA -0.822 57.226 58.000 0.079 0.000 1.002 11 F CB 1.326 40.318 39.000 -0.013 0.000 1.319 11 F HN 0.264 nan 8.300 nan 0.000 0.495 12 N N 0.552 119.417 118.700 0.274 0.000 2.240 12 N HA 0.280 5.022 4.740 0.004 0.000 0.302 12 N C -2.382 173.204 175.510 0.127 0.000 1.106 12 N CA -1.557 51.592 53.050 0.165 0.000 0.778 12 N CB 2.068 40.636 38.487 0.135 0.000 1.431 12 N HN 0.113 nan 8.380 nan 0.000 0.479 13 P HA -0.128 nan 4.420 nan 0.000 0.217 13 P C 0.218 177.544 177.300 0.044 0.000 1.148 13 P CA 1.432 64.563 63.100 0.052 0.000 0.828 13 P CB 0.066 31.791 31.700 0.041 0.000 0.783 14 N N -0.700 118.033 118.700 0.055 0.000 2.671 14 N HA 0.064 4.807 4.740 0.004 0.000 0.303 14 N C -0.066 175.482 175.510 0.063 0.000 1.351 14 N CA -0.266 52.812 53.050 0.045 0.000 0.991 14 N CB -0.411 38.099 38.487 0.037 0.000 1.307 14 N HN -0.062 nan 8.380 nan 0.000 0.512 15 Q N 0.915 120.762 119.800 0.079 0.000 2.580 15 Q HA 0.170 4.513 4.340 0.004 0.000 0.232 15 Q C 0.232 176.272 176.000 0.067 0.000 1.326 15 Q CA 0.277 56.146 55.803 0.109 0.000 0.887 15 Q CB -0.788 28.030 28.738 0.133 0.000 1.617 15 Q HN 0.392 nan 8.270 nan 0.000 0.554 16 N N 1.434 120.166 118.700 0.054 0.000 2.573 16 N HA -0.118 4.625 4.740 0.004 0.000 0.187 16 N C 0.180 175.687 175.510 -0.006 0.000 1.107 16 N CA 0.458 53.517 53.050 0.015 0.000 0.918 16 N CB 0.183 38.674 38.487 0.006 0.000 0.966 16 N HN 0.528 nan 8.380 nan 0.000 0.448 17 N N 0.506 119.229 118.700 0.038 0.000 2.270 17 N HA 0.061 4.803 4.740 0.004 0.000 0.198 17 N C -0.207 175.273 175.510 -0.049 0.000 1.117 17 N CA 0.121 53.156 53.050 -0.024 0.000 0.845 17 N CB 0.193 38.715 38.487 0.059 0.000 0.980 17 N HN 0.138 nan 8.380 nan 0.000 0.486 18 L N 0.324 121.546 121.223 -0.002 0.000 2.333 18 L HA 0.556 4.899 4.340 0.004 0.000 0.269 18 L C -0.372 176.470 176.870 -0.046 0.000 1.010 18 L CA -1.045 53.794 54.840 -0.002 0.000 0.818 18 L CB 2.232 44.298 42.059 0.012 0.000 1.306 18 L HN -0.098 nan 8.230 nan 0.000 0.430 19 I N 3.155 123.696 120.570 -0.049 0.000 2.354 19 I HA 0.231 4.403 4.170 0.004 0.000 0.286 19 I C -0.990 175.100 176.117 -0.044 0.000 1.007 19 I CA -0.646 60.621 61.300 -0.056 0.000 1.167 19 I CB 1.518 39.476 38.000 -0.070 0.000 1.320 19 I HN 0.180 nan 8.210 nan 0.000 0.458 20 L N 7.104 128.300 121.223 -0.045 0.000 2.264 20 L HA 0.403 4.745 4.340 0.004 0.000 0.289 20 L C 0.023 176.868 176.870 -0.041 0.000 1.044 20 L CA -0.104 54.706 54.840 -0.048 0.000 0.807 20 L CB 1.019 43.045 42.059 -0.055 0.000 1.192 20 L HN 0.553 nan 8.230 nan 0.000 0.425 21 Q N 3.124 122.902 119.800 -0.038 0.000 2.309 21 Q HA 0.423 4.765 4.340 0.004 0.000 0.264 21 Q C -0.039 175.937 176.000 -0.041 0.000 1.008 21 Q CA -0.776 55.005 55.803 -0.036 0.000 0.853 21 Q CB 2.324 31.045 28.738 -0.029 0.000 1.314 21 Q HN 0.508 nan 8.270 nan 0.000 0.448 22 E N 1.022 121.199 120.200 -0.038 0.000 3.289 22 E HA -0.299 4.053 4.350 0.004 0.000 0.386 22 E C 0.419 176.997 176.600 -0.037 0.000 1.526 22 E CA 1.794 58.171 56.400 -0.038 0.000 1.519 22 E CB -0.804 28.870 29.700 -0.043 0.000 1.657 22 E HN 0.805 nan 8.360 nan 0.000 0.479 23 D N 1.310 121.686 120.400 -0.039 0.000 2.234 23 D HA 0.176 4.818 4.640 0.004 0.000 0.205 23 D C 0.677 176.953 176.300 -0.042 0.000 0.962 23 D CA 0.997 54.976 54.000 -0.035 0.000 0.855 23 D CB -0.346 40.436 40.800 -0.031 0.000 0.951 23 D HN 0.461 nan 8.370 nan 0.000 0.500 24 A N 1.102 123.890 122.820 -0.053 0.000 2.609 24 A HA 0.275 4.598 4.320 0.004 0.000 0.232 24 A C 0.238 177.781 177.584 -0.068 0.000 1.041 24 A CA 0.503 52.498 52.037 -0.070 0.000 0.753 24 A CB -0.093 18.856 19.000 -0.084 0.000 0.966 24 A HN 0.389 nan 8.150 nan 0.000 0.510 25 L N 1.665 122.840 121.223 -0.080 0.000 2.710 25 L HA 0.671 5.013 4.340 0.004 0.000 0.260 25 L C -1.670 175.153 176.870 -0.078 0.000 0.993 25 L CA -0.916 53.885 54.840 -0.065 0.000 0.877 25 L CB 1.624 43.660 42.059 -0.038 0.000 1.461 25 L HN 0.441 nan 8.230 nan 0.000 0.413 26 V N 2.640 122.523 119.914 -0.053 0.000 2.398 26 V HA 0.397 4.520 4.120 0.004 0.000 0.286 26 V C 0.263 176.362 176.094 0.009 0.000 1.026 26 V CA -0.609 61.671 62.300 -0.033 0.000 0.868 26 V CB 1.341 33.160 31.823 -0.007 0.000 0.982 26 V HN 0.775 nan 8.190 nan 0.000 0.443 27 N N 2.205 120.917 118.700 0.021 0.000 2.307 27 N HA -0.016 4.727 4.740 0.004 0.000 0.230 27 N C 1.512 177.050 175.510 0.047 0.000 1.297 27 N CA 0.771 53.842 53.050 0.034 0.000 0.884 27 N CB 0.865 39.380 38.487 0.047 0.000 1.115 27 N HN 0.822 nan 8.380 nan 0.000 0.436 28 S N -0.304 115.420 115.700 0.040 0.000 2.428 28 S HA -0.039 4.433 4.470 0.004 0.000 0.230 28 S C 1.407 176.037 174.600 0.050 0.000 1.014 28 S CA 0.680 58.905 58.200 0.042 0.000 0.957 28 S CB -0.133 63.087 63.200 0.032 0.000 0.784 28 S HN 0.576 nan 8.310 nan 0.000 0.499 29 A N 0.918 123.770 122.820 0.054 0.000 2.278 29 A HA 0.577 4.899 4.320 0.004 0.000 0.212 29 A C 1.540 179.175 177.584 0.085 0.000 1.213 29 A CA 0.285 52.359 52.037 0.061 0.000 0.840 29 A CB -1.198 17.835 19.000 0.055 0.000 0.866 29 A HN 1.489 nan 8.150 nan 0.000 0.489 30 G N -0.666 108.194 108.800 0.100 0.000 2.256 30 G HA2 -0.177 3.785 3.960 0.004 0.000 0.272 30 G HA3 -0.177 3.785 3.960 0.004 0.000 0.272 30 G C 0.093 175.122 174.900 0.216 0.000 1.076 30 G CA 0.432 45.624 45.100 0.153 0.000 0.882 30 G HN 0.640 nan 8.290 nan 0.000 0.497 31 T N 0.247 114.894 114.554 0.157 0.000 2.841 31 T HA 0.483 4.836 4.350 0.004 0.000 0.285 31 T C -0.049 174.668 174.700 0.027 0.000 0.991 31 T CA -0.587 61.604 62.100 0.151 0.000 0.966 31 T CB 1.809 70.739 68.868 0.103 0.000 0.962 31 T HN 0.642 nan 8.240 nan 0.000 0.438 32 L N 4.138 125.297 121.223 -0.107 0.000 2.515 32 L HA 0.278 4.620 4.340 0.004 0.000 0.281 32 L C 0.269 177.027 176.870 -0.187 0.000 1.131 32 L CA 0.242 54.891 54.840 -0.317 0.000 0.905 32 L CB -0.442 41.154 42.059 -0.772 0.000 1.246 32 L HN 0.593 nan 8.230 nan 0.000 0.463 33 E N 5.303 125.435 120.200 -0.114 0.000 1.941 33 E HA 0.074 4.426 4.350 0.004 0.000 0.275 33 E C 0.952 177.510 176.600 -0.069 0.000 1.113 33 E CA -0.104 56.261 56.400 -0.058 0.000 0.878 33 E CB 0.670 30.356 29.700 -0.023 0.000 1.070 33 E HN 0.744 nan 8.360 nan 0.000 0.399 34 L N 1.909 123.091 121.223 -0.069 0.000 2.017 34 L HA -0.106 4.236 4.340 0.004 0.000 0.208 34 L C 1.488 178.333 176.870 -0.041 0.000 1.073 34 L CA 1.137 55.933 54.840 -0.074 0.000 0.745 34 L CB -0.395 41.613 42.059 -0.085 0.000 0.894 34 L HN 0.478 nan 8.230 nan 0.000 0.432 35 T N -2.557 112.007 114.554 0.017 0.000 2.952 35 T HA 0.686 5.038 4.350 0.004 0.000 0.286 35 T C -0.132 174.588 174.700 0.033 0.000 1.024 35 T CA -0.741 61.374 62.100 0.026 0.000 1.029 35 T CB 1.961 70.879 68.868 0.082 0.000 1.094 35 T HN 0.122 nan 8.240 nan 0.000 0.515 36 A N 1.172 124.004 122.820 0.020 0.000 2.440 36 A HA 0.577 4.899 4.320 0.004 0.000 0.251 36 A C -0.105 177.493 177.584 0.022 0.000 1.089 36 A CA -0.587 51.458 52.037 0.013 0.000 0.779 36 A CB -0.132 18.871 19.000 0.004 0.000 1.022 36 A HN 0.833 nan 8.150 nan 0.000 0.492 37 V N 2.595 122.519 119.914 0.016 0.000 2.444 37 V HA 0.492 4.615 4.120 0.004 0.000 0.294 37 V C 0.944 177.044 176.094 0.011 0.000 1.022 37 V CA 0.099 62.409 62.300 0.016 0.000 0.850 37 V CB 0.733 32.567 31.823 0.018 0.000 0.992 37 V HN 1.200 nan 8.190 nan 0.000 0.426 38 A N 4.751 127.577 122.820 0.009 0.000 1.909 38 A HA 0.431 4.754 4.320 0.004 0.000 0.215 38 A C 1.962 179.549 177.584 0.006 0.000 1.392 38 A CA 1.358 53.399 52.037 0.006 0.000 0.599 38 A CB -0.746 18.256 19.000 0.004 0.000 1.029 38 A HN 0.966 nan 8.150 nan 0.000 0.480 39 A N -1.687 121.136 122.820 0.006 0.000 2.109 39 A HA 0.442 4.764 4.320 0.004 0.000 0.220 39 A C 1.801 179.390 177.584 0.008 0.000 1.613 39 A CA 1.396 53.437 52.037 0.006 0.000 0.620 39 A CB -0.941 18.061 19.000 0.004 0.000 1.212 39 A HN 1.264 nan 8.150 nan 0.000 0.508 40 G N -1.285 107.520 108.800 0.008 0.000 4.238 40 G HA2 0.533 4.495 3.960 0.004 0.000 0.292 40 G HA3 0.533 4.495 3.960 0.004 0.000 0.292 40 G C -0.135 174.770 174.900 0.008 0.000 1.036 40 G CA 0.838 45.944 45.100 0.010 0.000 0.812 40 G HN 0.871 nan 8.290 nan 0.000 0.489 41 A N 0.847 123.671 122.820 0.006 0.000 2.342 41 A HA 0.884 5.206 4.320 0.004 0.000 0.323 41 A C -2.944 174.645 177.584 0.008 0.000 1.125 41 A CA -1.638 50.401 52.037 0.003 0.000 0.785 41 A CB 1.901 20.900 19.000 -0.001 0.000 1.221 41 A HN 0.053 nan 8.150 nan 0.000 0.463 42 P HA 0.314 nan 4.420 nan 0.000 0.276 42 P C -0.568 176.743 177.300 0.018 0.000 1.230 42 P CA -0.074 63.039 63.100 0.023 0.000 0.776 42 P CB 0.931 32.647 31.700 0.027 0.000 0.888 43 V N 5.838 125.765 119.914 0.021 0.000 2.539 43 V HA 0.362 4.484 4.120 0.004 0.000 0.292 43 V C -1.722 174.381 176.094 0.015 0.000 1.045 43 V CA -1.856 60.451 62.300 0.012 0.000 0.945 43 V CB 1.074 32.902 31.823 0.008 0.000 0.993 43 V HN 0.579 nan 8.190 nan 0.000 0.464 44 P HA 0.215 nan 4.420 nan 0.000 0.276 44 P C -0.047 177.250 177.300 -0.006 0.000 1.261 44 P CA 0.038 63.137 63.100 -0.001 0.000 0.800 44 P CB 0.612 32.305 31.700 -0.011 0.000 1.066 45 D N -2.346 118.046 120.400 -0.013 0.000 3.076 45 D HA -0.132 4.510 4.640 0.004 0.000 0.218 45 D C -0.173 176.119 176.300 -0.014 0.000 1.156 45 D CA 0.935 54.926 54.000 -0.014 0.000 0.921 45 D CB -1.279 39.514 40.800 -0.011 0.000 1.113 45 D HN 0.334 nan 8.370 nan 0.000 0.418 46 S N -0.258 115.433 115.700 -0.014 0.000 2.586 46 S HA 0.686 5.159 4.470 0.004 0.000 0.274 46 S C -0.232 174.342 174.600 -0.044 0.000 1.281 46 S CA -0.556 57.632 58.200 -0.020 0.000 1.035 46 S CB 1.187 64.383 63.200 -0.005 0.000 0.962 46 S HN 0.288 nan 8.310 nan 0.000 0.512 47 L N 3.629 124.823 121.223 -0.049 0.000 2.438 47 L HA 0.775 5.117 4.340 0.004 0.000 0.270 47 L C -0.223 176.604 176.870 -0.072 0.000 0.972 47 L CA -0.316 54.481 54.840 -0.070 0.000 0.831 47 L CB 1.502 43.526 42.059 -0.060 0.000 1.273 47 L HN 0.832 nan 8.230 nan 0.000 0.405 48 G N 4.329 113.074 108.800 -0.092 0.000 2.563 48 G HA2 0.764 4.727 3.960 0.004 0.000 0.302 48 G HA3 0.764 4.727 3.960 0.004 0.000 0.302 48 G C -1.646 173.208 174.900 -0.077 0.000 1.301 48 G CA -0.655 44.398 45.100 -0.078 0.000 0.965 48 G HN 0.555 nan 8.290 nan 0.000 0.480 49 R N -0.245 120.224 120.500 -0.051 0.000 2.584 49 R HA 0.693 5.035 4.340 0.004 0.000 0.276 49 R C -1.311 174.986 176.300 -0.004 0.000 1.046 49 R CA -0.890 55.206 56.100 -0.005 0.000 0.906 49 R CB 2.520 32.827 30.300 0.012 0.000 1.215 49 R HN 0.790 nan 8.270 nan 0.000 0.449 50 A N 3.816 126.648 122.820 0.020 0.000 2.359 50 A HA 0.706 5.028 4.320 0.004 0.000 0.303 50 A C -0.984 176.582 177.584 -0.030 0.000 1.066 50 A CA -0.646 51.382 52.037 -0.016 0.000 0.730 50 A CB 1.128 20.092 19.000 -0.061 0.000 1.211 50 A HN 0.558 nan 8.150 nan 0.000 0.439 51 L N 1.243 122.452 121.223 -0.023 0.000 2.319 51 L HA 0.484 4.826 4.340 0.004 0.000 0.267 51 L C -0.595 176.327 176.870 0.087 0.000 1.011 51 L CA -1.016 53.802 54.840 -0.036 0.000 0.818 51 L CB 1.646 43.642 42.059 -0.105 0.000 1.316 51 L HN 0.770 nan 8.230 nan 0.000 0.432 52 Y N 0.607 120.890 120.300 -0.028 0.000 2.359 52 Y HA 0.239 4.792 4.550 0.004 0.000 0.330 52 Y C 0.990 176.785 175.900 -0.176 0.000 1.143 52 Y CA 0.005 57.991 58.100 -0.191 0.000 1.318 52 Y CB 1.719 39.848 38.460 -0.553 0.000 1.234 52 Y HN 0.683 nan 8.280 nan 0.000 0.522 53 A N 4.910 127.284 122.820 -0.743 0.000 2.015 53 A HA 0.182 4.505 4.320 0.004 0.000 0.219 53 A C 1.094 178.388 177.584 -0.482 0.000 1.163 53 A CA 0.983 52.701 52.037 -0.531 0.000 0.646 53 A CB -0.886 17.831 19.000 -0.471 0.000 0.806 53 A HN 0.806 nan 8.150 nan 0.000 0.448 54 A N 0.576 122.991 122.820 -0.676 0.000 2.274 54 A HA 0.610 4.932 4.320 0.004 0.000 0.309 54 A C -2.590 174.998 177.584 0.007 0.000 1.226 54 A CA -1.704 50.215 52.037 -0.196 0.000 0.853 54 A CB 0.095 19.086 19.000 -0.015 0.000 1.146 54 A HN 0.180 nan 8.150 nan 0.000 0.518 55 P HA 0.297 nan 4.420 nan 0.000 0.268 55 P C -0.479 176.910 177.300 0.149 0.000 1.208 55 P CA 0.142 63.273 63.100 0.052 0.000 0.777 55 P CB 0.446 32.164 31.700 0.030 0.000 0.875 56 I N -1.733 118.923 120.570 0.143 0.000 2.689 56 I HA 0.407 4.580 4.170 0.004 0.000 0.299 56 I C -0.775 175.420 176.117 0.130 0.000 1.059 56 I CA -0.686 60.716 61.300 0.169 0.000 1.055 56 I CB 2.015 40.089 38.000 0.123 0.000 1.243 56 I HN 0.305 nan 8.210 nan 0.000 0.425 57 H N 6.148 125.191 119.070 -0.046 0.000 2.872 57 H HA 0.385 4.944 4.556 0.004 0.000 0.273 57 H C 0.249 175.457 175.328 -0.199 0.000 1.205 57 H CA -0.464 55.359 56.048 -0.375 0.000 1.342 57 H CB 0.929 30.473 29.762 -0.364 0.000 1.469 57 H HN 0.637 nan 8.280 nan 0.000 0.487 58 I N 5.049 125.599 120.570 -0.033 0.000 3.783 58 I HA -0.012 4.160 4.170 0.004 0.000 0.310 58 I C 0.252 176.403 176.117 0.057 0.000 1.274 58 I CA 1.004 62.319 61.300 0.025 0.000 1.294 58 I CB -0.479 37.545 38.000 0.041 0.000 1.051 58 I HN 0.744 nan 8.210 nan 0.000 0.435 59 H N -0.355 118.645 119.070 -0.116 0.000 3.043 59 H HA 0.125 4.684 4.556 0.004 0.000 0.317 59 H C -1.476 173.748 175.328 -0.174 0.000 1.321 59 H CA -0.512 55.453 56.048 -0.137 0.000 1.243 59 H CB 1.013 30.762 29.762 -0.022 0.000 1.924 59 H HN 0.002 nan 8.280 nan 0.000 0.527 60 D N 1.753 122.150 120.400 -0.004 0.000 2.593 60 D HA 0.142 4.785 4.640 0.004 0.000 0.241 60 D C 0.195 176.628 176.300 0.221 0.000 1.257 60 D CA -0.334 53.700 54.000 0.056 0.000 0.828 60 D CB -0.022 40.755 40.800 -0.039 0.000 1.049 60 D HN 0.638 nan 8.370 nan 0.000 0.490 61 N N -0.831 118.178 118.700 0.514 0.000 2.077 61 N HA -0.215 4.528 4.740 0.004 0.000 0.205 61 N C 1.225 176.804 175.510 0.115 0.000 1.390 61 N CA 2.814 56.032 53.050 0.281 0.000 3.469 61 N CB -1.513 37.078 38.487 0.174 0.000 0.768 61 N HN 0.494 nan 8.380 nan 0.000 0.384 62 T N -3.126 111.486 114.554 0.096 0.000 2.990 62 T HA 0.319 4.672 4.350 0.004 0.000 0.249 62 T C 0.443 175.165 174.700 0.035 0.000 1.039 62 T CA 1.066 63.194 62.100 0.047 0.000 1.036 62 T CB 0.484 69.377 68.868 0.041 0.000 0.994 62 T HN 0.199 nan 8.240 nan 0.000 0.489 63 T N 2.204 116.787 114.554 0.048 0.000 2.841 63 T HA 0.675 5.027 4.350 0.004 0.000 0.283 63 T C -0.667 174.068 174.700 0.059 0.000 1.000 63 T CA -0.657 61.464 62.100 0.035 0.000 0.977 63 T CB 1.941 70.817 68.868 0.012 0.000 0.979 63 T HN 0.200 nan 8.240 nan 0.000 0.446 64 L N 1.957 123.224 121.223 0.074 0.000 2.379 64 L HA 0.750 5.093 4.340 0.004 0.000 0.269 64 L C 0.549 177.493 176.870 0.124 0.000 1.084 64 L CA -0.913 54.008 54.840 0.134 0.000 0.802 64 L CB 1.033 43.212 42.059 0.200 0.000 1.175 64 L HN 0.729 nan 8.230 nan 0.000 0.448 65 A N 1.597 124.517 122.820 0.166 0.000 2.295 65 A HA 0.660 4.983 4.320 0.004 0.000 0.318 65 A C -0.312 177.433 177.584 0.269 0.000 1.134 65 A CA -0.348 51.784 52.037 0.160 0.000 0.827 65 A CB 1.142 20.225 19.000 0.138 0.000 1.136 65 A HN 0.626 nan 8.150 nan 0.000 0.493 66 S N -0.073 115.738 115.700 0.184 0.000 2.617 66 S HA 0.800 5.272 4.470 0.004 0.000 0.283 66 S C -0.782 173.930 174.600 0.187 0.000 1.189 66 S CA -0.178 58.111 58.200 0.148 0.000 1.036 66 S CB 0.562 63.775 63.200 0.022 0.000 1.014 66 S HN 0.914 nan 8.310 nan 0.000 0.522 67 F N -0.960 119.009 119.950 0.032 0.000 2.654 67 F HA 0.769 5.298 4.527 0.004 0.000 0.308 67 F C -0.893 174.797 175.800 -0.183 0.000 1.108 67 F CA -0.705 57.197 58.000 -0.164 0.000 0.957 67 F CB 1.047 39.903 39.000 -0.241 0.000 1.309 67 F HN 0.365 nan 8.300 nan 0.000 0.446 68 T N 1.131 115.614 114.554 -0.118 0.000 2.900 68 T HA 0.679 5.031 4.350 0.004 0.000 0.295 68 T C -1.285 173.327 174.700 -0.147 0.000 1.044 68 T CA -0.736 61.292 62.100 -0.120 0.000 0.995 68 T CB 1.914 70.700 68.868 -0.138 0.000 1.072 68 T HN 0.936 nan 8.240 nan 0.000 0.473 69 T N 1.143 115.700 114.554 0.005 0.000 2.956 69 T HA 0.637 4.990 4.350 0.004 0.000 0.312 69 T C -1.468 173.340 174.700 0.180 0.000 1.151 69 T CA -0.440 61.729 62.100 0.115 0.000 1.024 69 T CB 1.206 70.268 68.868 0.324 0.000 1.140 69 T HN 0.482 nan 8.240 nan 0.000 0.473 70 S N 3.209 119.079 115.700 0.283 0.000 2.532 70 S HA 0.866 5.338 4.470 0.004 0.000 0.299 70 S C -1.246 173.678 174.600 0.540 0.000 1.105 70 S CA -0.700 57.642 58.200 0.237 0.000 1.018 70 S CB 0.638 63.906 63.200 0.112 0.000 1.021 70 S HN 0.653 nan 8.310 nan 0.000 0.483 71 F N -0.657 119.491 119.950 0.330 0.000 2.643 71 F HA 0.883 5.412 4.527 0.004 0.000 0.314 71 F C -0.500 175.406 175.800 0.177 0.000 1.096 71 F CA -0.883 57.335 58.000 0.363 0.000 0.953 71 F CB 1.160 40.431 39.000 0.453 0.000 1.345 71 F HN 0.348 nan 8.300 nan 0.000 0.468 72 S N 1.278 117.171 115.700 0.321 0.000 2.513 72 S HA 0.830 5.303 4.470 0.004 0.000 0.299 72 S C -1.302 173.433 174.600 0.224 0.000 1.087 72 S CA -0.595 57.660 58.200 0.092 0.000 1.012 72 S CB 1.555 64.776 63.200 0.035 0.000 1.044 72 S HN 0.720 nan 8.310 nan 0.000 0.485 73 F N 0.217 120.180 119.950 0.022 0.000 2.664 73 F HA 0.936 5.465 4.527 0.004 0.000 0.317 73 F C -1.552 174.251 175.800 0.005 0.000 1.108 73 F CA -1.118 56.888 58.000 0.009 0.000 0.957 73 F CB 0.860 39.856 39.000 -0.007 0.000 1.365 73 F HN 0.280 nan 8.300 nan 0.000 0.475 74 V N 2.392 122.494 119.914 0.314 0.000 2.733 74 V HA 0.485 4.608 4.120 0.004 0.000 0.306 74 V C -0.666 175.582 176.094 0.257 0.000 1.084 74 V CA -0.799 61.627 62.300 0.211 0.000 0.905 74 V CB 1.845 33.736 31.823 0.113 0.000 1.010 74 V HN 0.873 nan 8.190 nan 0.000 0.424 75 M N 3.500 123.238 119.600 0.230 0.000 2.383 75 M HA 0.835 5.318 4.480 0.004 0.000 0.325 75 M C -0.207 176.244 176.300 0.252 0.000 1.092 75 M CA -0.461 54.934 55.300 0.157 0.000 0.961 75 M CB 2.177 34.846 32.600 0.116 0.000 1.672 75 M HN 0.794 nan 8.290 nan 0.000 0.438 76 A N 2.434 125.374 122.820 0.201 0.000 2.354 76 A HA 1.018 5.341 4.320 0.004 0.000 0.321 76 A C -1.206 176.430 177.584 0.086 0.000 1.125 76 A CA -0.655 51.493 52.037 0.184 0.000 0.799 76 A CB 1.584 20.637 19.000 0.088 0.000 1.293 76 A HN 0.914 nan 8.150 nan 0.000 0.452 77 A N 1.938 124.733 122.820 -0.042 0.000 2.485 77 A HA 0.664 4.986 4.320 0.004 0.000 0.285 77 A C -2.266 175.226 177.584 -0.153 0.000 1.045 77 A CA -0.993 50.932 52.037 -0.187 0.000 0.792 77 A CB 0.577 19.276 19.000 -0.501 0.000 1.307 77 A HN 0.459 nan 8.150 nan 0.000 0.406 78 P HA -0.075 nan 4.420 nan 0.000 0.217 78 P C 0.538 177.785 177.300 -0.089 0.000 1.148 78 P CA 2.180 65.239 63.100 -0.070 0.000 0.834 78 P CB 0.284 31.953 31.700 -0.050 0.000 0.783 79 A N -1.271 121.472 122.820 -0.128 0.000 2.522 79 A HA 0.637 4.959 4.320 0.004 0.000 0.285 79 A C 0.985 178.442 177.584 -0.213 0.000 1.198 79 A CA -0.051 51.908 52.037 -0.129 0.000 0.742 79 A CB 0.955 19.905 19.000 -0.084 0.000 1.176 79 A HN 0.028 nan 8.150 nan 0.000 0.444 80 A N 1.470 124.146 122.820 -0.240 0.000 2.234 80 A HA 0.211 4.534 4.320 0.004 0.000 0.216 80 A C 1.741 179.202 177.584 -0.205 0.000 1.167 80 A CA 2.187 54.017 52.037 -0.345 0.000 0.698 80 A CB -0.116 18.776 19.000 -0.180 0.000 0.779 80 A HN 1.693 nan 8.150 nan 0.000 0.475 81 A N -1.497 121.248 122.820 -0.124 0.000 2.192 81 A HA 0.639 4.961 4.320 0.004 0.000 0.208 81 A C 1.290 178.855 177.584 -0.032 0.000 1.220 81 A CA 0.741 52.743 52.037 -0.057 0.000 0.900 81 A CB -0.017 18.960 19.000 -0.037 0.000 0.937 81 A HN 1.007 nan 8.150 nan 0.000 0.487 82 A N 1.167 123.958 122.820 -0.047 0.000 2.880 82 A HA 0.560 4.883 4.320 0.004 0.000 0.328 82 A C -0.043 177.541 177.584 -0.001 0.000 1.440 82 A CA -0.114 51.922 52.037 -0.002 0.000 1.068 82 A CB -0.769 18.226 19.000 -0.009 0.000 1.163 82 A HN 1.105 nan 8.150 nan 0.000 0.510 83 V N -1.222 118.725 119.914 0.056 0.000 2.769 83 V HA 1.034 5.157 4.120 0.004 0.000 0.312 83 V C -0.212 175.995 176.094 0.189 0.000 1.061 83 V CA -0.342 62.010 62.300 0.085 0.000 0.931 83 V CB 1.188 33.061 31.823 0.084 0.000 1.010 83 V HN 1.764 nan 8.190 nan 0.000 0.433 84 A N 1.910 124.823 122.820 0.154 0.000 2.583 84 A HA 0.656 4.979 4.320 0.004 0.000 0.292 84 A C -0.452 177.236 177.584 0.173 0.000 1.045 84 A CA -0.094 52.025 52.037 0.136 0.000 0.672 84 A CB 1.460 20.407 19.000 -0.090 0.000 1.283 84 A HN 0.805 nan 8.150 nan 0.000 0.419 85 D N -0.207 120.285 120.400 0.154 0.000 2.454 85 D HA 0.415 5.057 4.640 0.004 0.000 0.214 85 D C 0.803 177.207 176.300 0.174 0.000 1.088 85 D CA 1.524 55.592 54.000 0.113 0.000 0.855 85 D CB 1.340 42.147 40.800 0.011 0.000 1.025 85 D HN 1.483 nan 8.370 nan 0.000 0.502 86 G N 0.968 109.911 108.800 0.238 0.000 2.343 86 G HA2 0.189 4.152 3.960 0.004 0.000 0.465 86 G HA3 0.189 4.152 3.960 0.004 0.000 0.465 86 G C -1.676 173.262 174.900 0.063 0.000 1.282 86 G CA -0.531 44.726 45.100 0.261 0.000 0.996 86 G HN 0.162 nan 8.290 nan 0.000 0.521 87 L N -2.648 118.658 121.223 0.138 0.000 2.327 87 L HA 1.109 5.452 4.340 0.004 0.000 0.258 87 L C 0.025 177.012 176.870 0.195 0.000 1.024 87 L CA -0.572 54.304 54.840 0.061 0.000 0.825 87 L CB 1.847 43.905 42.059 -0.001 0.000 1.386 87 L HN 2.379 nan 8.230 nan 0.000 0.417 88 A N 0.951 123.882 122.820 0.184 0.000 2.520 88 A HA 0.737 5.059 4.320 0.004 0.000 0.298 88 A C -1.671 176.127 177.584 0.356 0.000 1.051 88 A CA -0.369 51.832 52.037 0.275 0.000 0.690 88 A CB 1.103 20.171 19.000 0.112 0.000 1.281 88 A HN 0.877 nan 8.150 nan 0.000 0.402 89 F N 2.846 122.967 119.950 0.285 0.000 2.404 89 F HA 0.802 5.331 4.527 0.004 0.000 0.339 89 F C -0.769 175.168 175.800 0.229 0.000 1.105 89 F CA -0.818 57.248 58.000 0.110 0.000 1.087 89 F CB 0.929 40.009 39.000 0.134 0.000 1.143 89 F HN 0.667 nan 8.300 nan 0.000 0.491 90 F N 4.482 123.837 119.950 -0.992 0.000 2.645 90 F HA 0.807 5.336 4.527 0.004 0.000 0.310 90 F C -2.553 172.860 175.800 -0.644 0.000 1.102 90 F CA -1.762 55.886 58.000 -0.587 0.000 0.952 90 F CB 1.031 39.837 39.000 -0.323 0.000 1.326 90 F HN 0.310 nan 8.300 nan 0.000 0.456 91 L N 2.583 123.632 121.223 -0.289 0.000 2.365 91 L HA 0.985 5.327 4.340 0.004 0.000 0.273 91 L C -0.209 176.624 176.870 -0.062 0.000 1.000 91 L CA -0.432 54.237 54.840 -0.285 0.000 0.819 91 L CB 1.578 43.565 42.059 -0.121 0.000 1.284 91 L HN 1.174 nan 8.230 nan 0.000 0.418 92 A N 3.037 125.798 122.820 -0.098 0.000 2.557 92 A HA 0.924 5.247 4.320 0.004 0.000 0.292 92 A C -3.006 174.576 177.584 -0.003 0.000 1.139 92 A CA -1.378 50.677 52.037 0.030 0.000 0.665 92 A CB 1.168 20.261 19.000 0.154 0.000 1.285 92 A HN 0.403 nan 8.150 nan 0.000 0.433 93 P HA 0.252 nan 4.420 nan 0.000 0.269 93 P C -2.016 175.281 177.300 -0.006 0.000 1.209 93 P CA -0.857 62.254 63.100 0.018 0.000 0.776 93 P CB 0.259 31.976 31.700 0.028 0.000 0.876 94 P HA -0.207 nan 4.420 nan 0.000 0.217 94 P C 0.738 178.015 177.300 -0.039 0.000 1.151 94 P CA 1.627 64.705 63.100 -0.038 0.000 0.849 94 P CB -0.267 31.410 31.700 -0.039 0.000 0.787 95 D N -1.930 118.453 120.400 -0.027 0.000 2.319 95 D HA -0.030 4.612 4.640 0.004 0.000 0.230 95 D C 0.285 176.576 176.300 -0.015 0.000 1.094 95 D CA 0.148 54.132 54.000 -0.027 0.000 0.856 95 D CB -1.104 39.679 40.800 -0.028 0.000 0.915 95 D HN 0.049 nan 8.370 nan 0.000 0.517 96 T N 0.479 115.032 114.554 -0.001 0.000 2.934 96 T HA 0.009 4.362 4.350 0.004 0.000 0.306 96 T C -0.095 174.609 174.700 0.006 0.000 1.042 96 T CA 0.133 62.245 62.100 0.019 0.000 1.145 96 T CB 0.647 69.560 68.868 0.076 0.000 0.982 96 T HN 0.012 nan 8.240 nan 0.000 0.544 97 Q N 3.909 123.702 119.800 -0.011 0.000 2.387 97 Q HA 0.466 4.808 4.340 0.004 0.000 0.273 97 Q C -2.535 173.431 176.000 -0.056 0.000 1.089 97 Q CA -2.449 53.337 55.803 -0.029 0.000 0.824 97 Q CB 1.589 30.308 28.738 -0.031 0.000 1.367 97 Q HN 0.518 nan 8.270 nan 0.000 0.443 98 P HA 0.034 nan 4.420 nan 0.000 0.265 98 P C -0.095 177.143 177.300 -0.103 0.000 1.193 98 P CA 0.182 63.219 63.100 -0.106 0.000 0.765 98 P CB 0.764 32.414 31.700 -0.082 0.000 0.823 99 Q N 1.626 121.342 119.800 -0.141 0.000 2.846 99 Q HA 0.544 4.886 4.340 0.004 0.000 0.185 99 Q C 0.210 176.163 176.000 -0.078 0.000 1.105 99 Q CA -0.666 55.074 55.803 -0.106 0.000 0.724 99 Q CB -0.318 28.346 28.738 -0.124 0.000 4.033 99 Q HN 0.461 nan 8.270 nan 0.000 0.373 100 A N 1.028 123.811 122.820 -0.062 0.000 2.407 100 A HA 0.311 4.633 4.320 0.004 0.000 0.248 100 A C 0.581 178.230 177.584 0.107 0.000 1.082 100 A CA -0.230 51.817 52.037 0.017 0.000 0.785 100 A CB 0.153 19.146 19.000 -0.012 0.000 1.020 100 A HN 0.563 nan 8.150 nan 0.000 0.489 101 R N 1.768 122.329 120.500 0.102 0.000 2.696 101 R HA 0.634 4.977 4.340 0.004 0.000 0.218 101 R C 1.025 177.402 176.300 0.128 0.000 1.202 101 R CA -0.097 56.050 56.100 0.077 0.000 1.043 101 R CB -0.851 29.462 30.300 0.021 0.000 1.292 101 R HN 1.768 nan 8.270 nan 0.000 0.521 102 G N -0.684 108.137 108.800 0.035 0.000 2.611 102 G HA2 -0.391 3.572 3.960 0.004 0.000 0.301 102 G HA3 -0.391 3.572 3.960 0.004 0.000 0.301 102 G C 0.904 175.793 174.900 -0.020 0.000 1.233 102 G CA 0.460 45.549 45.100 -0.018 0.000 0.993 102 G HN 0.868 nan 8.290 nan 0.000 0.553 103 G N -0.931 107.816 108.800 -0.088 0.000 2.625 103 G HA2 0.242 4.204 3.960 0.004 0.000 0.214 103 G HA3 0.242 4.204 3.960 0.004 0.000 0.214 103 G C 1.253 176.187 174.900 0.057 0.000 1.132 103 G CA 1.369 46.456 45.100 -0.021 0.000 0.782 103 G HN 0.422 nan 8.290 nan 0.000 0.538 104 F N -0.310 119.769 119.950 0.215 0.000 2.789 104 F HA 0.341 4.870 4.527 0.004 0.000 0.300 104 F C 1.615 177.423 175.800 0.014 0.000 1.132 104 F CA -0.556 57.518 58.000 0.122 0.000 1.404 104 F CB 0.021 39.060 39.000 0.066 0.000 1.114 104 F HN -0.052 nan 8.300 nan 0.000 0.584 105 L N -0.337 120.953 121.223 0.111 0.000 4.813 105 L HA -0.321 4.021 4.340 0.004 0.000 0.434 105 L C 1.380 178.161 176.870 -0.149 0.000 1.106 105 L CA 0.592 55.412 54.840 -0.033 0.000 0.991 105 L CB -2.298 39.743 42.059 -0.029 0.000 2.005 105 L HN 0.415 nan 8.230 nan 0.000 0.817 106 G N -0.666 108.069 108.800 -0.109 0.000 2.160 106 G HA2 -0.304 3.658 3.960 0.004 0.000 0.251 106 G HA3 -0.304 3.658 3.960 0.004 0.000 0.251 106 G C 0.496 175.169 174.900 -0.379 0.000 1.008 106 G CA 0.455 45.439 45.100 -0.193 0.000 0.724 106 G HN 0.427 nan 8.290 nan 0.000 0.514 107 L N -2.559 118.359 121.223 -0.509 0.000 2.803 107 L HA 0.492 4.835 4.340 0.004 0.000 0.246 107 L C 0.401 176.504 176.870 -1.280 0.000 1.100 107 L CA 0.088 54.335 54.840 -0.987 0.000 0.919 107 L CB 0.315 41.579 42.059 -1.324 0.000 1.285 107 L HN 0.124 nan 8.230 nan 0.000 0.522 108 F N -1.257 118.515 119.950 -0.296 0.000 2.603 108 F HA 0.579 5.109 4.527 0.005 0.000 0.317 108 F C 0.774 176.379 175.800 -0.324 0.000 1.066 108 F CA -0.714 57.036 58.000 -0.417 0.000 0.941 108 F CB 1.523 40.169 39.000 -0.589 0.000 1.291 108 F HN -0.316 nan 8.300 nan 0.000 0.472 109 A N -0.124 122.691 122.820 -0.010 0.000 2.095 109 A HA 0.325 4.647 4.320 0.004 0.000 0.212 109 A C -0.078 177.152 177.584 -0.590 0.000 1.162 109 A CA 1.237 53.137 52.037 -0.229 0.000 0.753 109 A CB -0.503 18.473 19.000 -0.041 0.000 0.840 109 A HN 0.823 nan 8.150 nan 0.000 0.468 110 D N -2.625 117.418 120.400 -0.595 0.000 2.970 110 D HA 0.159 4.801 4.640 0.004 0.000 0.344 110 D C 0.344 176.461 176.300 -0.305 0.000 1.365 110 D CA -0.196 53.439 54.000 -0.607 0.000 0.910 110 D CB -0.215 40.459 40.800 -0.209 0.000 1.445 110 D HN -0.001 nan 8.370 nan 0.000 0.532 111 R N -0.176 120.276 120.500 -0.081 0.000 2.334 111 R HA 0.638 4.981 4.340 0.004 0.000 0.216 111 R C -0.090 176.116 176.300 -0.156 0.000 0.905 111 R CA -0.234 55.757 56.100 -0.181 0.000 1.064 111 R CB 0.163 30.380 30.300 -0.137 0.000 1.046 111 R HN 0.357 nan 8.270 nan 0.000 0.508 112 A N 1.469 124.248 122.820 -0.069 0.000 2.304 112 A HA 0.193 4.516 4.320 0.004 0.000 0.301 112 A C -0.784 176.812 177.584 0.020 0.000 1.132 112 A CA -0.652 51.378 52.037 -0.013 0.000 0.819 112 A CB 0.302 19.311 19.000 0.015 0.000 1.094 112 A HN 0.450 nan 8.150 nan 0.000 0.492 113 H N 0.906 119.937 119.070 -0.065 0.000 2.707 113 H HA 0.322 4.880 4.556 0.004 0.000 0.359 113 H C -1.423 173.924 175.328 0.031 0.000 1.113 113 H CA 1.002 57.027 56.048 -0.039 0.000 1.422 113 H CB 0.973 30.705 29.762 -0.049 0.000 1.443 113 H HN 0.686 nan 8.280 nan 0.000 0.591 114 D N 2.519 122.760 120.400 -0.264 0.000 2.614 114 D HA 0.158 4.800 4.640 0.004 0.000 0.203 114 D C 0.274 176.454 176.300 -0.199 0.000 1.312 114 D CA 0.038 53.936 54.000 -0.170 0.000 0.889 114 D CB 0.876 41.556 40.800 -0.200 0.000 1.615 114 D HN 0.600 nan 8.370 nan 0.000 0.567 115 A N 2.490 125.223 122.820 -0.146 0.000 2.131 115 A HA -0.107 4.215 4.320 0.004 0.000 0.220 115 A C 1.888 179.454 177.584 -0.030 0.000 1.158 115 A CA 1.937 53.936 52.037 -0.064 0.000 0.665 115 A CB -0.406 18.598 19.000 0.007 0.000 0.795 115 A HN 0.627 nan 8.150 nan 0.000 0.460 116 S N -1.998 113.649 115.700 -0.088 0.000 2.561 116 S HA -0.057 4.416 4.470 0.004 0.000 0.225 116 S C 1.611 176.171 174.600 -0.067 0.000 0.977 116 S CA 0.645 58.789 58.200 -0.094 0.000 0.926 116 S CB -0.667 62.437 63.200 -0.159 0.000 0.769 116 S HN 0.514 nan 8.310 nan 0.000 0.533 117 Y N 1.497 121.792 120.300 -0.008 0.000 2.200 117 Y HA 0.124 4.676 4.550 0.004 0.000 0.290 117 Y C 1.488 177.416 175.900 0.046 0.000 1.137 117 Y CA 1.111 59.237 58.100 0.044 0.000 1.163 117 Y CB -0.646 37.906 38.460 0.154 0.000 0.988 117 Y HN 0.354 nan 8.280 nan 0.000 0.518 118 Q N 0.320 120.242 119.800 0.205 0.000 2.452 118 Q HA -0.187 4.155 4.340 0.004 0.000 0.318 118 Q C -0.779 175.313 176.000 0.153 0.000 1.386 118 Q CA 0.771 56.659 55.803 0.142 0.000 0.872 118 Q CB -1.855 26.943 28.738 0.101 0.000 1.151 118 Q HN 0.237 nan 8.270 nan 0.000 0.417 119 T N -0.222 114.446 114.554 0.191 0.000 2.916 119 T HA 0.621 4.973 4.350 0.004 0.000 0.298 119 T C -0.593 174.225 174.700 0.197 0.000 1.031 119 T CA -0.529 61.677 62.100 0.177 0.000 0.993 119 T CB 2.116 71.058 68.868 0.123 0.000 1.045 119 T HN 0.051 nan 8.240 nan 0.000 0.454 120 V N 2.170 122.193 119.914 0.182 0.000 2.531 120 V HA 0.901 5.023 4.120 0.004 0.000 0.301 120 V C -0.359 175.868 176.094 0.222 0.000 1.034 120 V CA -0.754 61.665 62.300 0.198 0.000 0.865 120 V CB 1.517 33.449 31.823 0.180 0.000 0.995 120 V HN 1.107 nan 8.190 nan 0.000 0.424 121 A N 4.001 126.961 122.820 0.235 0.000 2.449 121 A HA 0.894 5.216 4.320 0.004 0.000 0.302 121 A C -1.188 176.535 177.584 0.232 0.000 1.048 121 A CA -0.603 51.580 52.037 0.243 0.000 0.708 121 A CB 2.122 21.228 19.000 0.178 0.000 1.274 121 A HN 0.650 nan 8.150 nan 0.000 0.410 122 V N 2.816 122.897 119.914 0.279 0.000 2.328 122 V HA 0.376 4.498 4.120 0.004 0.000 0.278 122 V C -0.026 176.068 176.094 0.001 0.000 1.021 122 V CA -0.326 62.061 62.300 0.144 0.000 0.838 122 V CB 0.910 32.870 31.823 0.229 0.000 0.999 122 V HN 0.991 nan 8.190 nan 0.000 0.447 123 E N 4.243 124.361 120.200 -0.138 0.000 2.204 123 E HA 0.621 4.973 4.350 0.004 0.000 0.276 123 E C -1.498 174.821 176.600 -0.469 0.000 0.974 123 E CA -0.714 55.596 56.400 -0.150 0.000 0.815 123 E CB 1.560 31.271 29.700 0.018 0.000 1.119 123 E HN 0.429 nan 8.360 nan 0.000 0.393 124 F N 1.858 121.831 119.950 0.037 0.000 2.311 124 F HA 0.217 4.746 4.527 0.004 0.000 0.371 124 F C -0.163 175.687 175.800 0.084 0.000 1.083 124 F CA -0.902 57.107 58.000 0.016 0.000 1.113 124 F CB 1.027 40.001 39.000 -0.044 0.000 1.349 124 F HN 0.451 nan 8.300 nan 0.000 0.470 125 D N 2.020 122.471 120.400 0.084 0.000 2.412 125 D HA 0.132 4.774 4.640 0.004 0.000 0.224 125 D C 0.969 177.293 176.300 0.039 0.000 1.093 125 D CA -0.087 53.874 54.000 -0.065 0.000 0.850 125 D CB 1.276 41.739 40.800 -0.561 0.000 1.046 125 D HN 0.551 nan 8.370 nan 0.000 0.507 126 T N 0.851 115.507 114.554 0.169 0.000 3.086 126 T HA 0.109 4.462 4.350 0.004 0.000 0.250 126 T C 0.231 175.055 174.700 0.206 0.000 1.074 126 T CA -0.173 62.043 62.100 0.193 0.000 0.988 126 T CB -0.188 68.839 68.868 0.265 0.000 0.988 126 T HN 0.325 nan 8.240 nan 0.000 0.530 127 Y N 1.119 121.448 120.300 0.048 0.000 2.396 127 Y HA 0.568 5.121 4.550 0.004 0.000 0.332 127 Y C -1.058 174.818 175.900 -0.039 0.000 1.034 127 Y CA -1.437 56.666 58.100 0.005 0.000 1.057 127 Y CB 2.022 40.476 38.460 -0.010 0.000 1.220 127 Y HN -0.034 nan 8.280 nan 0.000 0.440 128 S N 5.487 120.888 115.700 -0.499 0.000 2.481 128 S HA 0.278 4.750 4.470 0.004 0.000 0.276 128 S C -0.456 173.903 174.600 -0.403 0.000 1.247 128 S CA -0.317 57.662 58.200 -0.368 0.000 1.053 128 S CB -0.109 62.865 63.200 -0.376 0.000 0.925 128 S HN 0.722 nan 8.310 nan 0.000 0.491 129 N N 1.132 119.548 118.700 -0.474 0.000 2.604 129 N HA 0.551 5.294 4.740 0.004 0.000 0.297 129 N C 1.222 176.292 175.510 -0.734 0.000 1.266 129 N CA -0.378 52.216 53.050 -0.759 0.000 0.961 129 N CB 0.253 37.747 38.487 -1.656 0.000 1.166 129 N HN 0.505 nan 8.380 nan 0.000 0.601 130 A N -0.215 122.206 122.820 -0.664 0.000 2.019 130 A HA -0.125 4.198 4.320 0.004 0.000 0.219 130 A C 1.200 178.689 177.584 -0.160 0.000 1.164 130 A CA 1.445 53.315 52.037 -0.278 0.000 0.644 130 A CB -0.879 18.075 19.000 -0.076 0.000 0.805 130 A HN 0.887 nan 8.150 nan 0.000 0.449 131 W N -0.361 120.922 121.300 -0.029 0.000 3.290 131 W HA 0.384 5.046 4.660 0.004 0.000 0.287 131 W C -0.725 175.750 176.519 -0.072 0.000 1.288 131 W CA -0.626 56.698 57.345 -0.035 0.000 1.725 131 W CB -0.210 29.245 29.460 -0.008 0.000 1.103 131 W HN -0.049 nan 8.180 nan 0.000 0.670 132 D N 1.478 121.729 120.400 -0.248 0.000 2.387 132 D HA 0.291 4.933 4.640 0.004 0.000 0.255 132 D C -2.091 174.010 176.300 -0.332 0.000 1.081 132 D CA -1.612 52.247 54.000 -0.236 0.000 0.994 132 D CB 0.742 41.410 40.800 -0.221 0.000 1.127 132 D HN -0.228 nan 8.370 nan 0.000 0.513 133 P HA 0.177 nan 4.420 nan 0.000 0.276 133 P C 0.006 176.906 177.300 -0.666 0.000 1.252 133 P CA -0.444 62.256 63.100 -0.667 0.000 0.802 133 P CB 0.266 31.286 31.700 -1.132 0.000 1.035 134 N N 0.763 119.125 118.700 -0.564 0.000 2.652 134 N HA 0.031 4.774 4.740 0.004 0.000 0.259 134 N C -0.823 174.559 175.510 -0.213 0.000 1.240 134 N CA -0.490 52.366 53.050 -0.324 0.000 0.951 134 N CB -0.721 37.675 38.487 -0.152 0.000 1.281 134 N HN 0.382 nan 8.380 nan 0.000 0.507 135 Y N -4.242 116.044 120.300 -0.024 0.000 2.624 135 Y HA 0.365 4.918 4.550 0.004 0.000 0.334 135 Y C -0.361 175.612 175.900 0.121 0.000 1.155 135 Y CA -1.573 56.534 58.100 0.012 0.000 1.046 135 Y CB 0.173 38.635 38.460 0.004 0.000 1.316 135 Y HN -0.220 nan 8.280 nan 0.000 0.457 136 T N 4.329 119.054 114.554 0.286 0.000 2.905 136 T HA 0.261 4.613 4.350 0.004 0.000 0.299 136 T C -0.420 174.531 174.700 0.419 0.000 1.024 136 T CA 0.705 62.909 62.100 0.175 0.000 1.151 136 T CB -0.619 68.135 68.868 -0.189 0.000 0.987 136 T HN 0.876 nan 8.240 nan 0.000 0.535 137 H N 0.686 120.002 119.070 0.409 0.000 2.990 137 H HA 0.573 5.132 4.556 0.004 0.000 0.343 137 H C -1.428 174.162 175.328 0.437 0.000 1.270 137 H CA -1.412 54.942 56.048 0.511 0.000 1.118 137 H CB 0.880 30.849 29.762 0.346 0.000 1.861 137 H HN 0.440 nan 8.280 nan 0.000 0.544 138 I N 1.046 121.772 120.570 0.260 0.000 2.378 138 I HA 0.523 4.696 4.170 0.004 0.000 0.291 138 I C 0.272 176.433 176.117 0.073 0.000 0.992 138 I CA -0.490 60.748 61.300 -0.104 0.000 1.154 138 I CB 1.881 39.742 38.000 -0.232 0.000 1.315 138 I HN 0.782 nan 8.210 nan 0.000 0.448 139 G N 6.686 115.509 108.800 0.038 0.000 2.574 139 G HA2 0.673 4.636 3.960 0.004 0.000 0.299 139 G HA3 0.673 4.636 3.960 0.004 0.000 0.299 139 G C -0.958 173.980 174.900 0.063 0.000 1.298 139 G CA -0.510 44.666 45.100 0.128 0.000 0.952 139 G HN 0.332 nan 8.290 nan 0.000 0.477 140 I N 1.649 122.274 120.570 0.092 0.000 2.321 140 I HA 0.297 4.470 4.170 0.004 0.000 0.291 140 I C -0.991 175.196 176.117 0.117 0.000 0.998 140 I CA -0.667 60.697 61.300 0.107 0.000 1.227 140 I CB 1.512 39.578 38.000 0.111 0.000 1.368 140 I HN 0.270 nan 8.210 nan 0.000 0.466 141 D N 4.904 125.387 120.400 0.138 0.000 2.344 141 D HA 0.333 4.975 4.640 0.004 0.000 0.239 141 D C -0.227 176.161 176.300 0.146 0.000 1.064 141 D CA -0.136 53.940 54.000 0.126 0.000 0.829 141 D CB 2.019 42.924 40.800 0.174 0.000 1.129 141 D HN 0.353 nan 8.370 nan 0.000 0.506 142 T N 2.774 117.395 114.554 0.112 0.000 2.963 142 T HA 0.186 4.538 4.350 0.004 0.000 0.343 142 T C 0.323 175.077 174.700 0.091 0.000 1.146 142 T CA -0.602 61.581 62.100 0.139 0.000 1.016 142 T CB 0.065 69.030 68.868 0.161 0.000 1.046 142 T HN 0.254 nan 8.240 nan 0.000 0.496 143 N N 1.421 120.154 118.700 0.054 0.000 2.776 143 N HA -0.126 4.616 4.740 0.004 0.000 0.250 143 N C 0.135 175.391 175.510 -0.423 0.000 1.112 143 N CA 1.567 54.569 53.050 -0.080 0.000 0.733 143 N CB -1.128 37.185 38.487 -0.290 0.000 1.097 143 N HN 1.007 nan 8.380 nan 0.000 0.558 144 G N -1.223 107.096 108.800 -0.801 0.000 2.411 144 G HA2 0.445 4.408 3.960 0.004 0.000 0.295 144 G HA3 0.445 4.408 3.960 0.004 0.000 0.295 144 G C 0.426 174.613 174.900 -1.187 0.000 1.542 144 G CA -0.443 43.912 45.100 -1.242 0.000 0.814 144 G HN 0.056 nan 8.290 nan 0.000 0.557 145 I N -0.116 119.793 120.570 -1.101 0.000 2.617 145 I HA 0.171 4.343 4.170 0.004 0.000 0.256 145 I C 1.224 177.138 176.117 -0.339 0.000 1.167 145 I CA 0.592 61.581 61.300 -0.519 0.000 1.469 145 I CB 0.091 37.785 38.000 -0.511 0.000 1.098 145 I HN 0.585 nan 8.210 nan 0.000 0.436 146 E N 1.036 121.019 120.200 -0.361 0.000 2.029 146 E HA 0.101 4.454 4.350 0.004 0.000 0.276 146 E C -0.034 176.552 176.600 -0.025 0.000 1.163 146 E CA -0.157 56.178 56.400 -0.108 0.000 0.909 146 E CB 0.281 29.934 29.700 -0.078 0.000 1.046 146 E HN 0.291 nan 8.360 nan 0.000 0.406 147 S N 3.905 119.644 115.700 0.064 0.000 2.566 147 S HA -0.044 4.428 4.470 0.004 0.000 0.280 147 S C 0.903 175.534 174.600 0.052 0.000 1.343 147 S CA -0.187 58.058 58.200 0.076 0.000 1.036 147 S CB 1.010 64.288 63.200 0.131 0.000 0.866 147 S HN 0.592 nan 8.310 nan 0.000 0.526 148 K N 0.593 121.028 120.400 0.058 0.000 2.393 148 K HA 0.168 4.490 4.320 0.004 0.000 0.193 148 K C 0.173 176.804 176.600 0.052 0.000 1.026 148 K CA 0.589 56.903 56.287 0.046 0.000 1.064 148 K CB 0.170 32.701 32.500 0.053 0.000 0.833 148 K HN 0.397 nan 8.250 nan 0.000 0.521 149 K N 0.389 120.831 120.400 0.069 0.000 2.583 149 K HA 0.088 4.411 4.320 0.004 0.000 0.260 149 K C -1.734 174.925 176.600 0.097 0.000 0.931 149 K CA -0.369 55.963 56.287 0.074 0.000 0.849 149 K CB 1.791 34.334 32.500 0.071 0.000 1.347 149 K HN 0.127 nan 8.250 nan 0.000 0.425 150 T N -1.099 113.520 114.554 0.109 0.000 2.864 150 T HA 0.696 5.048 4.350 0.004 0.000 0.299 150 T C -0.584 174.224 174.700 0.180 0.000 1.166 150 T CA -0.659 61.538 62.100 0.161 0.000 1.007 150 T CB 1.861 70.821 68.868 0.153 0.000 1.219 150 T HN 0.570 nan 8.240 nan 0.000 0.506 151 T N -0.950 113.740 114.554 0.226 0.000 2.900 151 T HA 0.767 5.119 4.350 0.004 0.000 0.303 151 T C -3.285 171.591 174.700 0.293 0.000 1.142 151 T CA -1.948 60.281 62.100 0.215 0.000 1.007 151 T CB 1.502 70.470 68.868 0.166 0.000 1.156 151 T HN 0.502 nan 8.240 nan 0.000 0.490 152 P HA 0.613 nan 4.420 nan 0.000 0.274 152 P C -1.019 176.357 177.300 0.127 0.000 1.237 152 P CA -0.445 62.716 63.100 0.102 0.000 0.793 152 P CB 0.218 31.720 31.700 -0.331 0.000 0.977 153 F N -1.557 118.274 119.950 -0.199 0.000 2.713 153 F HA 0.560 5.089 4.527 0.004 0.000 0.311 153 F C -1.927 173.729 175.800 -0.241 0.000 1.141 153 F CA -1.026 56.599 58.000 -0.625 0.000 0.939 153 F CB 1.206 39.670 39.000 -0.894 0.000 1.325 153 F HN 0.062 nan 8.300 nan 0.000 0.453 154 D N 3.890 124.011 120.400 -0.466 0.000 2.408 154 D HA 0.266 4.909 4.640 0.004 0.000 0.243 154 D C -0.215 175.864 176.300 -0.368 0.000 1.075 154 D CA -0.235 53.525 54.000 -0.400 0.000 0.832 154 D CB 2.132 42.868 40.800 -0.107 0.000 1.162 154 D HN 0.423 nan 8.370 nan 0.000 0.515 155 M N 1.239 120.533 119.600 -0.511 0.000 2.240 155 M HA 0.111 4.594 4.480 0.004 0.000 0.317 155 M C -0.168 175.856 176.300 -0.460 0.000 1.087 155 M CA 0.017 55.123 55.300 -0.324 0.000 1.176 155 M CB 1.183 33.521 32.600 -0.438 0.000 1.439 155 M HN 0.082 nan 8.290 nan 0.000 0.452 156 V N 4.013 123.502 119.914 -0.708 0.000 2.340 156 V HA 0.225 4.347 4.120 0.004 0.000 0.277 156 V C -0.797 175.095 176.094 -0.338 0.000 1.017 156 V CA -0.752 61.196 62.300 -0.587 0.000 0.820 156 V CB 0.318 31.608 31.823 -0.889 0.000 1.028 156 V HN 0.624 nan 8.190 nan 0.000 0.436 157 Y N 2.301 122.555 120.300 -0.076 0.000 2.597 157 Y HA 0.393 4.945 4.550 0.004 0.000 0.336 157 Y C 1.617 177.513 175.900 -0.006 0.000 1.216 157 Y CA 1.820 59.916 58.100 -0.006 0.000 1.463 157 Y CB 0.776 39.229 38.460 -0.011 0.000 1.303 157 Y HN 0.860 nan 8.280 nan 0.000 0.576 158 G N 1.746 110.640 108.800 0.157 0.000 2.148 158 G HA2 -0.304 3.658 3.960 0.004 0.000 0.254 158 G HA3 -0.304 3.658 3.960 0.004 0.000 0.254 158 G C -0.124 174.813 174.900 0.061 0.000 0.981 158 G CA 0.200 45.359 45.100 0.099 0.000 0.670 158 G HN 0.638 nan 8.290 nan 0.000 0.528 159 E N 0.056 120.290 120.200 0.056 0.000 2.234 159 E HA 0.498 4.850 4.350 0.004 0.000 0.266 159 E C 0.264 176.913 176.600 0.083 0.000 0.877 159 E CA -1.009 55.434 56.400 0.072 0.000 0.758 159 E CB 0.822 30.565 29.700 0.071 0.000 1.170 159 E HN 0.244 nan 8.360 nan 0.000 0.415 160 K N 2.767 123.182 120.400 0.025 0.000 2.451 160 K HA 0.259 4.582 4.320 0.004 0.000 0.280 160 K C -1.076 175.414 176.600 -0.183 0.000 1.020 160 K CA 0.108 56.351 56.287 -0.074 0.000 1.008 160 K CB 0.618 33.091 32.500 -0.043 0.000 0.917 160 K HN 0.448 nan 8.250 nan 0.000 0.478 161 A N 4.330 126.838 122.820 -0.521 0.000 2.340 161 A HA 0.448 4.771 4.320 0.004 0.000 0.331 161 A C -1.180 175.996 177.584 -0.679 0.000 1.140 161 A CA -1.027 50.510 52.037 -0.833 0.000 0.801 161 A CB 0.945 19.038 19.000 -1.512 0.000 1.234 161 A HN 0.831 nan 8.150 nan 0.000 0.469 162 N N 0.835 119.206 118.700 -0.547 0.000 2.372 162 N HA 0.630 5.372 4.740 0.004 0.000 0.291 162 N C -1.151 174.110 175.510 -0.416 0.000 1.024 162 N CA -0.115 52.704 53.050 -0.385 0.000 0.873 162 N CB 1.430 39.774 38.487 -0.238 0.000 1.206 162 N HN 0.564 nan 8.380 nan 0.000 0.486 163 I N 1.141 121.424 120.570 -0.478 0.000 2.608 163 I HA 0.490 4.662 4.170 0.004 0.000 0.295 163 I C -0.695 175.193 176.117 -0.382 0.000 1.049 163 I CA -1.051 59.952 61.300 -0.494 0.000 1.063 163 I CB 2.258 39.698 38.000 -0.933 0.000 1.248 163 I HN -0.034 nan 8.210 nan 0.000 0.424 164 V N 6.682 126.479 119.914 -0.194 0.000 2.623 164 V HA 0.498 4.621 4.120 0.004 0.000 0.304 164 V C -0.485 175.587 176.094 -0.037 0.000 1.054 164 V CA -0.400 61.839 62.300 -0.103 0.000 0.882 164 V CB 2.310 34.086 31.823 -0.078 0.000 1.002 164 V HN 0.462 nan 8.190 nan 0.000 0.424 165 I N 3.990 124.558 120.570 -0.003 0.000 2.410 165 I HA 0.536 4.709 4.170 0.004 0.000 0.286 165 I C -0.010 176.097 176.117 -0.017 0.000 1.009 165 I CA -0.275 61.044 61.300 0.032 0.000 1.111 165 I CB 2.213 40.265 38.000 0.086 0.000 1.262 165 I HN 0.691 nan 8.210 nan 0.000 0.443 166 T N 4.435 118.942 114.554 -0.078 0.000 2.856 166 T HA 0.521 4.873 4.350 0.004 0.000 0.283 166 T C -1.390 173.153 174.700 -0.261 0.000 1.008 166 T CA -0.475 61.512 62.100 -0.189 0.000 0.997 166 T CB 1.405 70.183 68.868 -0.149 0.000 0.992 166 T HN 0.422 nan 8.240 nan 0.000 0.454 167 Y N 2.901 122.821 120.300 -0.634 0.000 2.331 167 Y HA 0.472 5.025 4.550 0.004 0.000 0.334 167 Y C -0.173 175.520 175.900 -0.345 0.000 0.960 167 Y CA -0.731 57.026 58.100 -0.571 0.000 1.130 167 Y CB 1.699 39.563 38.460 -0.993 0.000 1.164 167 Y HN 0.768 nan 8.280 nan 0.000 0.458 168 Q N 5.322 124.725 119.800 -0.661 0.000 2.372 168 Q HA 0.460 4.802 4.340 0.004 0.000 0.259 168 Q C 0.301 176.010 176.000 -0.484 0.000 0.993 168 Q CA 0.064 55.615 55.803 -0.421 0.000 0.854 168 Q CB 1.653 30.215 28.738 -0.294 0.000 1.231 168 Q HN 1.046 nan 8.270 nan 0.000 0.462 169 A N 2.764 125.454 122.820 -0.217 0.000 1.917 169 A HA -0.231 4.091 4.320 0.004 0.000 0.219 169 A C 1.992 179.516 177.584 -0.101 0.000 1.182 169 A CA 2.316 54.308 52.037 -0.075 0.000 0.633 169 A CB -0.620 18.407 19.000 0.046 0.000 0.819 169 A HN 0.836 nan 8.150 nan 0.000 0.448 170 S N -0.856 114.781 115.700 -0.105 0.000 2.447 170 S HA -0.100 4.373 4.470 0.004 0.000 0.233 170 S C 1.572 176.117 174.600 -0.092 0.000 1.006 170 S CA 1.835 59.989 58.200 -0.077 0.000 0.957 170 S CB -0.777 62.386 63.200 -0.063 0.000 0.773 170 S HN 0.862 nan 8.310 nan 0.000 0.507 171 T N -2.420 112.047 114.554 -0.146 0.000 3.040 171 T HA 0.391 4.744 4.350 0.004 0.000 0.266 171 T C 0.323 174.927 174.700 -0.159 0.000 1.005 171 T CA -0.170 61.852 62.100 -0.130 0.000 0.906 171 T CB -0.455 68.339 68.868 -0.123 0.000 1.082 171 T HN 0.392 nan 8.240 nan 0.000 0.531 172 K N 0.741 120.989 120.400 -0.253 0.000 3.088 172 K HA -0.132 4.191 4.320 0.004 0.000 0.273 172 K C 0.173 176.589 176.600 -0.307 0.000 1.111 172 K CA 0.405 56.524 56.287 -0.279 0.000 0.803 172 K CB -2.289 30.194 32.500 -0.028 0.000 1.226 172 K HN 0.689 nan 8.250 nan 0.000 0.485 173 A N 1.121 123.699 122.820 -0.403 0.000 2.309 173 A HA 0.462 4.784 4.320 0.004 0.000 0.290 173 A C -0.044 177.375 177.584 -0.276 0.000 1.206 173 A CA -0.541 51.346 52.037 -0.249 0.000 0.850 173 A CB 0.529 19.416 19.000 -0.188 0.000 1.118 173 A HN 0.289 nan 8.150 nan 0.000 0.523 174 L N 2.981 124.189 121.223 -0.025 0.000 2.282 174 L HA 0.710 5.053 4.340 0.004 0.000 0.288 174 L C -0.052 176.847 176.870 0.049 0.000 1.033 174 L CA -0.193 54.716 54.840 0.116 0.000 0.807 174 L CB 1.324 43.539 42.059 0.261 0.000 1.209 174 L HN 0.805 nan 8.230 nan 0.000 0.423 175 A N 4.332 127.165 122.820 0.022 0.000 2.422 175 A HA 0.878 5.201 4.320 0.004 0.000 0.302 175 A C -1.148 176.456 177.584 0.035 0.000 1.041 175 A CA -0.383 51.663 52.037 0.015 0.000 0.708 175 A CB 1.801 20.785 19.000 -0.026 0.000 1.257 175 A HN 0.845 nan 8.150 nan 0.000 0.414 176 A N 1.157 124.006 122.820 0.049 0.000 2.386 176 A HA 0.899 5.221 4.320 0.004 0.000 0.311 176 A C -0.114 177.501 177.584 0.053 0.000 1.068 176 A CA 0.074 52.149 52.037 0.063 0.000 0.743 176 A CB 1.320 20.375 19.000 0.091 0.000 1.258 176 A HN 2.182 nan 8.150 nan 0.000 0.429 177 S N 0.935 116.659 115.700 0.040 0.000 2.548 177 S HA 0.783 5.256 4.470 0.004 0.000 0.286 177 S C -1.201 173.409 174.600 0.016 0.000 1.098 177 S CA -0.635 57.584 58.200 0.031 0.000 0.930 177 S CB 1.539 64.734 63.200 -0.007 0.000 1.070 177 S HN 1.820 nan 8.310 nan 0.000 0.480 178 L N 2.563 123.805 121.223 0.032 0.000 2.409 178 L HA 0.872 5.214 4.340 0.004 0.000 0.272 178 L C -1.188 175.612 176.870 -0.116 0.000 0.980 178 L CA -0.638 54.166 54.840 -0.059 0.000 0.826 178 L CB 1.777 43.851 42.059 0.025 0.000 1.268 178 L HN 0.954 nan 8.230 nan 0.000 0.407 179 V N 4.496 124.239 119.914 -0.286 0.000 2.656 179 V HA 0.634 4.757 4.120 0.004 0.000 0.307 179 V C -1.433 174.404 176.094 -0.427 0.000 1.051 179 V CA -0.378 61.771 62.300 -0.252 0.000 0.893 179 V CB 1.919 33.660 31.823 -0.136 0.000 0.999 179 V HN 0.618 nan 8.190 nan 0.000 0.426 180 F N 7.643 127.584 119.950 -0.015 0.000 2.303 180 F HA 0.537 5.066 4.527 0.004 0.000 0.368 180 F C -1.538 174.238 175.800 -0.039 0.000 1.105 180 F CA -2.179 55.802 58.000 -0.032 0.000 1.153 180 F CB 1.490 40.501 39.000 0.018 0.000 1.362 180 F HN 0.422 nan 8.300 nan 0.000 0.511 181 P HA -0.127 nan 4.420 nan 0.000 0.219 181 P C 1.627 178.953 177.300 0.043 0.000 1.150 181 P CA 1.004 64.117 63.100 0.021 0.000 0.814 181 P CB 0.375 32.068 31.700 -0.012 0.000 0.787 182 V N -0.525 119.429 119.914 0.067 0.000 2.535 182 V HA -0.073 4.050 4.120 0.004 0.000 0.246 182 V C 2.208 178.330 176.094 0.045 0.000 1.045 182 V CA 1.947 64.275 62.300 0.046 0.000 1.058 182 V CB -1.259 30.589 31.823 0.040 0.000 0.689 182 V HN 0.112 nan 8.190 nan 0.000 0.461 183 S N -1.005 114.737 115.700 0.071 0.000 2.527 183 S HA -0.022 4.450 4.470 0.004 0.000 0.222 183 S C 0.770 175.403 174.600 0.055 0.000 0.985 183 S CA 0.138 58.366 58.200 0.047 0.000 0.921 183 S CB -0.113 63.099 63.200 0.019 0.000 0.772 183 S HN 0.725 nan 8.310 nan 0.000 0.529 184 Q N 0.832 120.674 119.800 0.070 0.000 2.493 184 Q HA -0.144 4.199 4.340 0.004 0.000 0.278 184 Q C -0.406 175.608 176.000 0.023 0.000 1.216 184 Q CA 0.872 56.696 55.803 0.035 0.000 0.875 184 Q CB -2.483 26.262 28.738 0.011 0.000 1.262 184 Q HN 0.649 nan 8.270 nan 0.000 0.468 185 T N -2.206 112.392 114.554 0.074 0.000 2.856 185 T HA 0.745 5.098 4.350 0.004 0.000 0.283 185 T C -0.033 174.613 174.700 -0.090 0.000 1.008 185 T CA -0.107 61.983 62.100 -0.017 0.000 0.997 185 T CB 2.307 71.213 68.868 0.063 0.000 0.992 185 T HN 0.367 nan 8.240 nan 0.000 0.454 186 S N 1.320 116.807 115.700 -0.354 0.000 2.564 186 S HA 0.780 5.252 4.470 0.004 0.000 0.274 186 S C -1.816 172.443 174.600 -0.568 0.000 1.124 186 S CA -0.959 57.054 58.200 -0.312 0.000 0.869 186 S CB 1.077 64.192 63.200 -0.142 0.000 1.105 186 S HN 0.773 nan 8.310 nan 0.000 0.472 187 Y N -0.215 120.124 120.300 0.065 0.000 2.524 187 Y HA 0.813 5.365 4.550 0.004 0.000 0.347 187 Y C 0.049 175.973 175.900 0.041 0.000 1.005 187 Y CA -0.826 57.321 58.100 0.079 0.000 1.025 187 Y CB 2.379 40.922 38.460 0.138 0.000 1.275 187 Y HN 1.157 nan 8.280 nan 0.000 0.460 188 A N 1.663 124.595 122.820 0.186 0.000 2.515 188 A HA 0.952 5.275 4.320 0.004 0.000 0.298 188 A C -1.695 175.947 177.584 0.097 0.000 1.059 188 A CA -0.750 51.350 52.037 0.106 0.000 0.698 188 A CB 1.300 20.333 19.000 0.055 0.000 1.289 188 A HN 0.586 nan 8.150 nan 0.000 0.404 189 V N -0.383 119.575 119.914 0.073 0.000 3.114 189 V HA 0.934 5.057 4.120 0.004 0.000 0.308 189 V C -0.124 175.999 176.094 0.049 0.000 1.168 189 V CA -0.556 61.783 62.300 0.065 0.000 1.015 189 V CB 1.732 33.595 31.823 0.068 0.000 1.050 189 V HN 1.358 nan 8.190 nan 0.000 0.433 190 S N 0.492 116.220 115.700 0.046 0.000 2.533 190 S HA 0.917 5.390 4.470 0.004 0.000 0.271 190 S C -0.918 173.706 174.600 0.041 0.000 1.143 190 S CA 0.296 58.517 58.200 0.035 0.000 0.891 190 S CB 1.786 64.995 63.200 0.014 0.000 1.105 190 S HN 2.067 nan 8.310 nan 0.000 0.468 191 A N 2.929 125.778 122.820 0.048 0.000 2.566 191 A HA 0.871 5.194 4.320 0.004 0.000 0.292 191 A C -1.006 176.608 177.584 0.050 0.000 1.112 191 A CA -0.881 51.189 52.037 0.055 0.000 0.707 191 A CB 1.623 20.670 19.000 0.079 0.000 1.302 191 A HN 0.842 nan 8.150 nan 0.000 0.409 192 R N 0.086 120.614 120.500 0.046 0.000 2.295 192 R HA 0.641 4.983 4.340 0.004 0.000 0.324 192 R C -1.602 174.747 176.300 0.082 0.000 0.968 192 R CA -0.225 55.899 56.100 0.040 0.000 0.837 192 R CB 1.461 31.770 30.300 0.015 0.000 1.133 192 R HN 0.854 nan 8.270 nan 0.000 0.450 193 V N 3.739 123.732 119.914 0.132 0.000 2.891 193 V HA 0.260 4.382 4.120 0.004 0.000 0.304 193 V C -1.780 174.440 176.094 0.211 0.000 1.171 193 V CA -0.805 61.591 62.300 0.161 0.000 0.943 193 V CB 2.217 34.149 31.823 0.182 0.000 1.037 193 V HN 0.832 nan 8.190 nan 0.000 0.427 194 D N 5.510 125.996 120.400 0.144 0.000 2.456 194 D HA 0.310 4.952 4.640 0.004 0.000 0.219 194 D C 1.277 177.632 176.300 0.091 0.000 1.126 194 D CA -0.152 53.927 54.000 0.131 0.000 0.890 194 D CB 1.102 41.941 40.800 0.066 0.000 1.025 194 D HN 0.577 nan 8.370 nan 0.000 0.511 195 L N 2.907 124.192 121.223 0.103 0.000 2.137 195 L HA -0.209 4.133 4.340 0.004 0.000 0.213 195 L C 2.438 179.282 176.870 -0.044 0.000 1.085 195 L CA 0.967 55.826 54.840 0.031 0.000 0.760 195 L CB -0.253 41.785 42.059 -0.035 0.000 0.893 195 L HN 0.328 nan 8.230 nan 0.000 0.434 196 R N 0.017 120.402 120.500 -0.192 0.000 2.139 196 R HA -0.182 4.161 4.340 0.004 0.000 0.243 196 R C 1.637 177.816 176.300 -0.201 0.000 1.145 196 R CA 1.594 57.392 56.100 -0.503 0.000 0.976 196 R CB -0.260 29.795 30.300 -0.408 0.000 0.866 196 R HN 0.427 nan 8.270 nan 0.000 0.449 197 D N -0.584 119.780 120.400 -0.061 0.000 2.323 197 D HA -0.029 4.614 4.640 0.004 0.000 0.209 197 D C 1.457 177.785 176.300 0.046 0.000 0.973 197 D CA 0.746 54.749 54.000 0.005 0.000 0.874 197 D CB 0.317 41.133 40.800 0.027 0.000 0.930 197 D HN 0.164 nan 8.370 nan 0.000 0.521 198 I N -0.130 120.476 120.570 0.061 0.000 3.445 198 I HA 0.135 4.307 4.170 0.004 0.000 0.288 198 I C 0.878 177.060 176.117 0.108 0.000 1.198 198 I CA 0.404 61.757 61.300 0.089 0.000 1.417 198 I CB -0.095 37.965 38.000 0.100 0.000 1.205 198 I HN -0.160 nan 8.210 nan 0.000 0.448 199 L N 2.192 123.497 121.223 0.137 0.000 2.322 199 L HA 0.453 4.796 4.340 0.004 0.000 0.269 199 L C -2.309 174.702 176.870 0.236 0.000 1.012 199 L CA -1.746 53.191 54.840 0.161 0.000 0.815 199 L CB 1.337 43.484 42.059 0.146 0.000 1.295 199 L HN -0.121 nan 8.230 nan 0.000 0.438 200 P HA 0.107 nan 4.420 nan 0.000 0.274 200 P C 0.027 177.292 177.300 -0.058 0.000 1.246 200 P CA -0.327 62.835 63.100 0.103 0.000 0.795 200 P CB 0.889 32.633 31.700 0.073 0.000 1.006 201 E N -0.012 120.033 120.200 -0.259 0.000 2.114 201 E HA -0.201 4.152 4.350 0.004 0.000 0.199 201 E C -0.079 176.287 176.600 -0.389 0.000 1.008 201 E CA 1.735 57.811 56.400 -0.541 0.000 0.810 201 E CB -0.273 29.261 29.700 -0.277 0.000 0.739 201 E HN 0.499 nan 8.360 nan 0.000 0.456 202 Y N -0.385 119.847 120.300 -0.113 0.000 2.335 202 Y HA 0.315 4.867 4.550 0.004 0.000 0.338 202 Y C 0.135 175.999 175.900 -0.060 0.000 0.977 202 Y CA -1.003 57.045 58.100 -0.086 0.000 1.114 202 Y CB 1.574 39.946 38.460 -0.146 0.000 1.182 202 Y HN -0.224 nan 8.280 nan 0.000 0.463 203 V N 0.541 120.491 119.914 0.060 0.000 3.126 203 V HA 0.717 4.839 4.120 0.004 0.000 0.314 203 V C -0.642 175.421 176.094 -0.051 0.000 1.138 203 V CA -1.457 60.837 62.300 -0.008 0.000 1.034 203 V CB 2.300 34.092 31.823 -0.052 0.000 1.075 203 V HN 0.737 nan 8.190 nan 0.000 0.442 204 R N 0.175 120.602 120.500 -0.121 0.000 2.720 204 R HA 0.892 5.235 4.340 0.004 0.000 0.272 204 R C -1.014 175.079 176.300 -0.345 0.000 0.991 204 R CA -0.515 55.480 56.100 -0.175 0.000 1.010 204 R CB 2.148 32.354 30.300 -0.156 0.000 1.141 204 R HN 0.984 nan 8.270 nan 0.000 0.494 205 V N -1.703 117.993 119.914 -0.364 0.000 3.040 205 V HA 1.017 5.140 4.120 0.004 0.000 0.312 205 V C -0.028 175.719 176.094 -0.577 0.000 1.115 205 V CA -0.205 61.748 62.300 -0.578 0.000 0.998 205 V CB 1.704 33.277 31.823 -0.418 0.000 1.042 205 V HN 0.976 nan 8.190 nan 0.000 0.433 206 G N 1.073 109.225 108.800 -1.079 0.000 2.368 206 G HA2 0.420 4.382 3.960 0.004 0.000 0.269 206 G HA3 0.420 4.382 3.960 0.004 0.000 0.269 206 G C -1.832 172.318 174.900 -1.250 0.000 1.291 206 G CA -0.496 43.927 45.100 -1.128 0.000 0.903 206 G HN 0.964 nan 8.290 nan 0.000 0.483 207 F N 0.240 120.008 119.950 -0.304 0.000 2.561 207 F HA 0.850 5.379 4.527 0.004 0.000 0.321 207 F C 0.550 176.387 175.800 0.061 0.000 1.065 207 F CA -0.789 57.146 58.000 -0.109 0.000 0.934 207 F CB 2.585 41.386 39.000 -0.332 0.000 1.215 207 F HN 0.527 nan 8.300 nan 0.000 0.471 208 S N 0.984 116.778 115.700 0.155 0.000 2.541 208 S HA 0.923 5.396 4.470 0.004 0.000 0.280 208 S C -1.311 173.223 174.600 -0.110 0.000 1.112 208 S CA -0.313 57.842 58.200 -0.075 0.000 0.925 208 S CB 1.431 64.403 63.200 -0.381 0.000 1.067 208 S HN 1.053 nan 8.310 nan 0.000 0.479 209 A N 2.132 124.850 122.820 -0.170 0.000 2.606 209 A HA 0.906 5.228 4.320 0.004 0.000 0.293 209 A C -0.621 176.769 177.584 -0.323 0.000 1.082 209 A CA -0.599 51.260 52.037 -0.296 0.000 0.685 209 A CB 1.559 20.320 19.000 -0.398 0.000 1.284 209 A HN 1.195 nan 8.150 nan 0.000 0.408 210 T N -1.201 113.104 114.554 -0.414 0.000 2.916 210 T HA 0.768 5.120 4.350 0.004 0.000 0.305 210 T C -0.188 174.393 174.700 -0.199 0.000 1.119 210 T CA -0.043 61.911 62.100 -0.242 0.000 1.008 210 T CB 1.301 70.099 68.868 -0.115 0.000 1.129 210 T HN 1.566 nan 8.240 nan 0.000 0.480 211 T N -0.442 114.080 114.554 -0.054 0.000 2.943 211 T HA 0.739 5.092 4.350 0.004 0.000 0.284 211 T C 0.926 175.618 174.700 -0.013 0.000 1.015 211 T CA -0.492 61.640 62.100 0.054 0.000 1.042 211 T CB 1.008 69.927 68.868 0.086 0.000 1.055 211 T HN 1.087 nan 8.240 nan 0.000 0.500 212 G N 0.261 109.044 108.800 -0.029 0.000 2.614 212 G HA2 0.356 4.318 3.960 0.004 0.000 0.239 212 G HA3 0.356 4.318 3.960 0.004 0.000 0.239 212 G C 0.709 175.554 174.900 -0.091 0.000 1.240 212 G CA -0.814 44.216 45.100 -0.116 0.000 0.842 212 G HN 0.834 nan 8.290 nan 0.000 0.584 213 L N 0.332 121.484 121.223 -0.119 0.000 2.554 213 L HA 0.091 4.433 4.340 0.004 0.000 0.226 213 L C 0.325 177.163 176.870 -0.054 0.000 1.137 213 L CA 0.278 55.075 54.840 -0.072 0.000 0.863 213 L CB -0.370 41.650 42.059 -0.066 0.000 0.985 213 L HN 0.367 nan 8.230 nan 0.000 0.451 214 N N 0.143 118.805 118.700 -0.063 0.000 2.321 214 N HA 0.484 5.226 4.740 0.004 0.000 0.299 214 N C -0.204 175.289 175.510 -0.028 0.000 1.048 214 N CA -0.362 52.665 53.050 -0.039 0.000 0.836 214 N CB 1.432 39.896 38.487 -0.037 0.000 1.269 214 N HN -0.002 nan 8.380 nan 0.000 0.486 215 A N 1.024 123.833 122.820 -0.018 0.000 2.587 215 A HA 0.386 4.709 4.320 0.004 0.000 0.235 215 A C 1.467 179.043 177.584 -0.014 0.000 1.044 215 A CA 0.882 52.910 52.037 -0.014 0.000 0.754 215 A CB -0.868 18.126 19.000 -0.010 0.000 0.968 215 A HN 1.172 nan 8.150 nan 0.000 0.509 216 G N 0.426 109.218 108.800 -0.014 0.000 2.143 216 G HA2 -0.095 3.867 3.960 0.004 0.000 0.248 216 G HA3 -0.095 3.867 3.960 0.004 0.000 0.248 216 G C 0.097 174.989 174.900 -0.015 0.000 0.991 216 G CA 0.235 45.325 45.100 -0.015 0.000 0.689 216 G HN 1.692 nan 8.290 nan 0.000 0.522 217 V N 0.217 120.123 119.914 -0.014 0.000 2.320 217 V HA 0.686 4.809 4.120 0.004 0.000 0.257 217 V C 0.048 176.141 176.094 -0.001 0.000 0.996 217 V CA 0.031 62.328 62.300 -0.005 0.000 0.928 217 V CB 1.203 33.016 31.823 -0.018 0.000 1.169 217 V HN 0.772 nan 8.190 nan 0.000 0.475 218 V N 2.647 122.561 119.914 0.000 0.000 3.242 218 V HA 0.823 4.946 4.120 0.004 0.000 0.298 218 V C -1.724 174.374 176.094 0.006 0.000 1.352 218 V CA -0.250 62.064 62.300 0.023 0.000 1.052 218 V CB 2.649 34.481 31.823 0.015 0.000 1.101 218 V HN 0.851 nan 8.190 nan 0.000 0.446 219 E N 1.441 121.662 120.200 0.035 0.000 2.407 219 E HA 0.514 4.867 4.350 0.004 0.000 0.279 219 E C -1.190 175.335 176.600 -0.126 0.000 1.012 219 E CA -0.526 55.852 56.400 -0.037 0.000 0.800 219 E CB 2.027 31.735 29.700 0.013 0.000 1.276 219 E HN 0.824 nan 8.360 nan 0.000 0.452 220 T N -0.968 113.510 114.554 -0.125 0.000 2.849 220 T HA 0.303 4.655 4.350 0.004 0.000 0.284 220 T C -0.041 174.428 174.700 -0.384 0.000 1.004 220 T CA -0.454 61.583 62.100 -0.105 0.000 1.021 220 T CB 0.566 69.433 68.868 -0.002 0.000 1.013 220 T HN 0.547 nan 8.240 nan 0.000 0.527 221 H N 1.028 120.119 119.070 0.036 0.000 2.429 221 H HA 0.289 4.847 4.556 0.004 0.000 0.231 221 H C -1.090 174.216 175.328 -0.037 0.000 1.416 221 H CA -0.699 55.348 56.048 -0.003 0.000 1.443 221 H CB 0.306 30.043 29.762 -0.041 0.000 1.591 221 H HN 0.619 nan 8.280 nan 0.000 0.507 222 D N 2.046 122.487 120.400 0.069 0.000 2.210 222 D HA 0.248 4.890 4.640 0.004 0.000 0.249 222 D C 0.524 176.841 176.300 0.028 0.000 1.078 222 D CA -0.329 53.691 54.000 0.034 0.000 0.875 222 D CB 1.955 42.790 40.800 0.059 0.000 1.175 222 D HN 0.289 nan 8.370 nan 0.000 0.440 223 I N 2.580 123.101 120.570 -0.082 0.000 2.362 223 I HA 0.099 4.272 4.170 0.004 0.000 0.289 223 I C 1.089 177.266 176.117 0.101 0.000 0.994 223 I CA -0.469 60.768 61.300 -0.105 0.000 1.158 223 I CB 1.663 39.366 38.000 -0.494 0.000 1.315 223 I HN 0.189 nan 8.210 nan 0.000 0.451 224 V N 4.308 124.353 119.914 0.218 0.000 2.949 224 V HA 0.079 4.201 4.120 0.004 0.000 0.245 224 V C 0.813 177.125 176.094 0.364 0.000 1.086 224 V CA 0.827 63.291 62.300 0.273 0.000 1.097 224 V CB 0.364 32.288 31.823 0.169 0.000 0.762 224 V HN 0.878 nan 8.190 nan 0.000 0.470 225 S N -1.962 113.977 115.700 0.398 0.000 2.615 225 S HA 0.645 5.117 4.470 0.004 0.000 0.269 225 S C -2.266 172.719 174.600 0.642 0.000 1.161 225 S CA -0.603 57.830 58.200 0.388 0.000 0.817 225 S CB 2.722 66.069 63.200 0.245 0.000 1.131 225 S HN 0.270 nan 8.310 nan 0.000 0.467 226 W N 1.541 123.099 121.300 0.430 0.000 3.818 226 W HA 0.635 5.297 4.660 0.003 0.000 0.283 226 W C -1.564 175.252 176.519 0.495 0.000 1.265 226 W CA 0.143 57.843 57.345 0.592 0.000 1.226 226 W CB 1.247 31.204 29.460 0.828 0.000 1.281 226 W HN 1.453 nan 8.180 nan 0.000 0.539 227 S N 4.466 120.385 115.700 0.365 0.000 2.588 227 S HA 0.895 5.367 4.470 0.004 0.000 0.275 227 S C -1.762 172.718 174.600 -0.199 0.000 1.130 227 S CA -0.666 57.498 58.200 -0.059 0.000 0.855 227 S CB 2.700 65.887 63.200 -0.023 0.000 1.116 227 S HN 0.762 nan 8.310 nan 0.000 0.472 228 F N 0.508 119.994 119.950 -0.773 0.000 2.631 228 F HA 0.794 5.324 4.527 0.004 0.000 0.308 228 F C -1.386 174.023 175.800 -0.652 0.000 1.097 228 F CA -0.059 57.462 58.000 -0.799 0.000 0.952 228 F CB 1.881 40.018 39.000 -1.440 0.000 1.307 228 F HN 1.188 nan 8.300 nan 0.000 0.450 229 A N 3.839 126.089 122.820 -0.951 0.000 2.491 229 A HA 0.696 5.019 4.320 0.004 0.000 0.293 229 A C -2.110 175.189 177.584 -0.474 0.000 1.047 229 A CA -0.514 51.226 52.037 -0.495 0.000 0.735 229 A CB 1.021 19.848 19.000 -0.287 0.000 1.281 229 A HN 1.169 nan 8.150 nan 0.000 0.398 230 V N -0.582 119.249 119.914 -0.138 0.000 2.914 230 V HA 0.953 5.076 4.120 0.004 0.000 0.314 230 V C 0.120 176.241 176.094 0.045 0.000 1.084 230 V CA -0.808 61.506 62.300 0.023 0.000 0.963 230 V CB 1.913 33.853 31.823 0.195 0.000 1.025 230 V HN 0.879 nan 8.190 nan 0.000 0.432 231 S N 2.393 118.131 115.700 0.063 0.000 2.736 231 S HA 0.608 5.080 4.470 0.004 0.000 0.285 231 S C -1.157 173.468 174.600 0.041 0.000 1.163 231 S CA -0.333 57.890 58.200 0.038 0.000 1.025 231 S CB 1.350 64.557 63.200 0.012 0.000 1.030 231 S HN 0.875 nan 8.310 nan 0.000 0.486 232 L N 5.160 126.394 121.223 0.019 0.000 2.371 232 L HA 0.817 5.159 4.340 0.004 0.000 0.262 232 L C 0.142 177.003 176.870 -0.014 0.000 1.054 232 L CA -0.088 54.742 54.840 -0.017 0.000 0.924 232 L CB 0.096 42.099 42.059 -0.094 0.000 1.295 232 L HN 0.667 nan 8.230 nan 0.000 0.441 233 A N 0.000 122.819 122.820 -0.002 0.000 2.254 233 A HA 0.000 4.322 4.320 0.004 0.000 0.244 233 A CA 0.000 52.037 52.037 -0.001 0.000 0.836 233 A CB 0.000 19.000 19.000 0.001 0.000 0.831 233 A HN 0.000 nan 8.150 nan 0.000 0.486