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_A 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 0.000 174.732 174.700 0.053 0.000 1.109 1 T CA 0.000 62.120 62.100 0.034 0.000 1.349 1 T CB 0.000 68.885 68.868 0.028 0.000 0.612 2 E N 1.024 121.259 120.200 0.059 0.000 2.372 2 E HA 0.792 5.142 4.350 0.000 0.000 0.279 2 E C -1.404 175.247 176.600 0.086 0.000 0.946 2 E CA -1.094 55.358 56.400 0.088 0.000 0.769 2 E CB 2.164 31.948 29.700 0.140 0.000 1.230 2 E HN 0.353 nan 8.360 nan 0.000 0.442 3 S N 0.248 116.005 115.700 0.094 0.000 2.599 3 S HA 0.765 5.235 4.470 0.000 0.000 0.287 3 S C -1.076 173.599 174.600 0.125 0.000 1.105 3 S CA -0.610 57.646 58.200 0.093 0.000 0.899 3 S CB 2.152 65.388 63.200 0.060 0.000 1.100 3 S HN 0.522 nan 8.310 nan 0.000 0.482 4 T N 1.834 116.473 114.554 0.142 0.000 3.071 4 T HA 0.641 4.991 4.350 0.000 0.000 0.311 4 T C -1.144 173.645 174.700 0.149 0.000 1.042 4 T CA -0.637 61.575 62.100 0.186 0.000 1.028 4 T CB 1.340 70.369 68.868 0.268 0.000 1.068 4 T HN 0.687 nan 8.240 nan 0.000 0.451 5 S N 2.636 118.393 115.700 0.095 0.000 2.579 5 S HA 0.973 5.443 4.470 0.000 0.000 0.272 5 S C -1.379 173.194 174.600 -0.045 0.000 1.141 5 S CA -0.939 57.222 58.200 -0.066 0.000 0.843 5 S CB 1.770 64.909 63.200 -0.102 0.000 1.122 5 S HN 0.866 nan 8.310 nan 0.000 0.468 6 F N -1.324 118.484 119.950 -0.237 0.000 2.744 6 F HA 0.843 5.370 4.527 0.000 0.000 0.311 6 F C -0.995 174.575 175.800 -0.384 0.000 1.144 6 F CA -0.401 57.369 58.000 -0.383 0.000 0.938 6 F CB 1.112 39.728 39.000 -0.641 0.000 1.292 6 F HN 1.053 nan 8.300 nan 0.000 0.444 7 S N 0.619 116.169 115.700 -0.250 0.000 2.535 7 S HA 0.810 5.280 4.470 0.000 0.000 0.272 7 S C -1.939 172.462 174.600 -0.331 0.000 1.149 7 S CA -0.715 57.366 58.200 -0.200 0.000 0.888 7 S CB 1.379 64.500 63.200 -0.132 0.000 1.110 7 S HN 0.710 nan 8.310 nan 0.000 0.463 8 F N 1.172 121.121 119.950 -0.001 0.000 2.507 8 F HA 0.522 5.049 4.527 0.000 0.000 0.328 8 F C 1.405 177.102 175.800 -0.172 0.000 1.136 8 F CA -0.755 57.157 58.000 -0.147 0.000 0.930 8 F CB 2.576 41.331 39.000 -0.409 0.000 1.166 8 F HN 0.703 nan 8.300 nan 0.000 0.436 9 T N 1.476 116.040 114.554 0.017 0.000 3.054 9 T HA 0.034 4.384 4.350 0.000 0.000 0.259 9 T C 0.109 174.789 174.700 -0.033 0.000 1.092 9 T CA 0.699 62.804 62.100 0.009 0.000 1.121 9 T CB -0.309 68.566 68.868 0.011 0.000 0.912 9 T HN 0.652 nan 8.240 nan 0.000 0.489 10 N N -0.349 118.287 118.700 -0.107 0.000 2.823 10 N HA 0.323 5.063 4.740 0.000 0.000 0.251 10 N C -1.600 173.771 175.510 -0.231 0.000 1.392 10 N CA -0.759 52.221 53.050 -0.117 0.000 0.864 10 N CB 0.500 39.006 38.487 0.032 0.000 1.481 10 N HN -0.030 nan 8.380 nan 0.000 0.508 11 F N -0.222 119.816 119.950 0.147 0.000 2.518 11 F HA 0.548 5.075 4.527 0.000 0.000 0.338 11 F C 0.659 176.518 175.800 0.097 0.000 1.065 11 F CA -0.682 57.382 58.000 0.108 0.000 1.012 11 F CB 1.208 40.209 39.000 0.002 0.000 1.297 11 F HN 0.249 nan 8.300 nan 0.000 0.489 12 N N 0.487 119.363 118.700 0.294 0.000 2.265 12 N HA 0.287 5.027 4.740 0.000 0.000 0.300 12 N C -2.352 173.239 175.510 0.135 0.000 1.148 12 N CA -1.522 51.635 53.050 0.179 0.000 0.772 12 N CB 2.052 40.631 38.487 0.153 0.000 1.434 12 N HN 0.105 nan 8.380 nan 0.000 0.481 13 P HA -0.092 nan 4.420 nan 0.000 0.220 13 P C 0.210 177.539 177.300 0.049 0.000 1.148 13 P CA 1.321 64.456 63.100 0.057 0.000 0.803 13 P CB 0.072 31.799 31.700 0.045 0.000 0.782 14 N N -0.530 118.206 118.700 0.061 0.000 2.671 14 N HA 0.066 4.806 4.740 0.000 0.000 0.303 14 N C -0.097 175.454 175.510 0.068 0.000 1.351 14 N CA -0.271 52.809 53.050 0.050 0.000 0.991 14 N CB -0.427 38.085 38.487 0.041 0.000 1.307 14 N HN -0.032 nan 8.380 nan 0.000 0.512 15 Q N 0.860 120.711 119.800 0.086 0.000 2.489 15 Q HA 0.186 4.526 4.340 0.000 0.000 0.231 15 Q C 0.485 176.531 176.000 0.077 0.000 1.273 15 Q CA 0.189 56.066 55.803 0.122 0.000 0.898 15 Q CB -0.529 28.307 28.738 0.164 0.000 1.545 15 Q HN 0.347 nan 8.270 nan 0.000 0.538 16 N N 1.651 120.388 118.700 0.062 0.000 2.453 16 N HA -0.133 4.607 4.740 0.000 0.000 0.183 16 N C 0.381 175.888 175.510 -0.005 0.000 1.041 16 N CA 0.680 53.741 53.050 0.019 0.000 0.900 16 N CB 0.189 38.682 38.487 0.011 0.000 0.961 16 N HN 0.588 nan 8.380 nan 0.000 0.443 17 N N 0.607 119.331 118.700 0.040 0.000 2.398 17 N HA 0.020 4.760 4.740 0.000 0.000 0.188 17 N C 0.028 175.493 175.510 -0.076 0.000 1.122 17 N CA 0.205 53.235 53.050 -0.034 0.000 0.866 17 N CB 0.106 38.622 38.487 0.049 0.000 0.970 17 N HN 0.160 nan 8.380 nan 0.000 0.462 18 L N 0.670 121.893 121.223 0.001 0.000 2.334 18 L HA 0.525 4.866 4.340 0.000 0.000 0.273 18 L C -0.288 176.554 176.870 -0.047 0.000 1.013 18 L CA -0.963 53.873 54.840 -0.007 0.000 0.816 18 L CB 2.206 44.278 42.059 0.022 0.000 1.278 18 L HN -0.100 nan 8.230 nan 0.000 0.431 19 I N 3.507 124.044 120.570 -0.055 0.000 2.328 19 I HA 0.232 4.402 4.170 0.000 0.000 0.287 19 I C -0.826 175.265 176.117 -0.042 0.000 1.012 19 I CA -0.673 60.593 61.300 -0.057 0.000 1.195 19 I CB 1.516 39.472 38.000 -0.074 0.000 1.350 19 I HN 0.207 nan 8.210 nan 0.000 0.464 20 L N 7.155 128.353 121.223 -0.042 0.000 2.275 20 L HA 0.417 4.757 4.340 0.000 0.000 0.288 20 L C -0.074 176.774 176.870 -0.037 0.000 1.046 20 L CA -0.092 54.722 54.840 -0.044 0.000 0.805 20 L CB 1.225 43.255 42.059 -0.048 0.000 1.193 20 L HN 0.557 nan 8.230 nan 0.000 0.426 21 Q N 2.993 122.773 119.800 -0.035 0.000 2.377 21 Q HA 0.460 4.800 4.340 0.000 0.000 0.271 21 Q C -0.157 175.821 176.000 -0.035 0.000 1.077 21 Q CA -0.825 54.959 55.803 -0.032 0.000 0.820 21 Q CB 2.496 31.219 28.738 -0.025 0.000 1.347 21 Q HN 0.509 nan 8.270 nan 0.000 0.444 22 E N 0.927 121.107 120.200 -0.034 0.000 3.289 22 E HA -0.283 4.068 4.350 0.000 0.000 0.386 22 E C 0.392 176.973 176.600 -0.032 0.000 1.526 22 E CA 1.871 58.251 56.400 -0.033 0.000 1.519 22 E CB -0.830 28.848 29.700 -0.038 0.000 1.657 22 E HN 0.836 nan 8.360 nan 0.000 0.479 23 D N 1.227 121.607 120.400 -0.033 0.000 2.317 23 D HA 0.185 4.825 4.640 0.000 0.000 0.211 23 D C 0.576 176.855 176.300 -0.035 0.000 0.966 23 D CA 0.976 54.958 54.000 -0.030 0.000 0.876 23 D CB -0.354 40.431 40.800 -0.025 0.000 0.927 23 D HN 0.461 nan 8.370 nan 0.000 0.519 24 A N 1.092 123.884 122.820 -0.046 0.000 2.584 24 A HA 0.280 4.600 4.320 0.000 0.000 0.239 24 A C 0.171 177.719 177.584 -0.060 0.000 1.043 24 A CA 0.462 52.462 52.037 -0.062 0.000 0.756 24 A CB -0.213 18.744 19.000 -0.072 0.000 0.963 24 A HN 0.383 nan 8.150 nan 0.000 0.511 25 L N 2.379 123.560 121.223 -0.070 0.000 2.671 25 L HA 0.746 5.086 4.340 0.000 0.000 0.259 25 L C -1.591 175.238 176.870 -0.068 0.000 1.021 25 L CA -0.888 53.919 54.840 -0.055 0.000 0.871 25 L CB 1.864 43.904 42.059 -0.031 0.000 1.472 25 L HN 0.420 nan 8.230 nan 0.000 0.410 26 V N 2.686 122.576 119.914 -0.041 0.000 2.495 26 V HA 0.434 4.554 4.120 0.000 0.000 0.298 26 V C 0.142 176.245 176.094 0.015 0.000 1.031 26 V CA -0.756 61.530 62.300 -0.022 0.000 0.871 26 V CB 1.501 33.329 31.823 0.008 0.000 0.988 26 V HN 0.770 nan 8.190 nan 0.000 0.432 27 N N 1.961 120.677 118.700 0.027 0.000 2.231 27 N HA -0.019 4.721 4.740 0.000 0.000 0.223 27 N C 1.479 177.018 175.510 0.049 0.000 1.329 27 N CA 0.730 53.803 53.050 0.038 0.000 0.889 27 N CB 0.667 39.183 38.487 0.048 0.000 1.125 27 N HN 0.839 nan 8.380 nan 0.000 0.447 28 S N -1.346 114.380 115.700 0.044 0.000 2.562 28 S HA 0.094 4.564 4.470 0.000 0.000 0.221 28 S C 1.199 175.832 174.600 0.055 0.000 0.975 28 S CA 0.430 58.657 58.200 0.046 0.000 0.918 28 S CB 0.102 63.324 63.200 0.036 0.000 0.772 28 S HN 0.569 nan 8.310 nan 0.000 0.531 29 A N 0.583 123.439 122.820 0.061 0.000 2.308 29 A HA 0.651 4.971 4.320 0.000 0.000 0.217 29 A C 1.534 179.173 177.584 0.091 0.000 1.216 29 A CA 0.240 52.317 52.037 0.067 0.000 0.864 29 A CB -0.607 18.429 19.000 0.060 0.000 0.902 29 A HN 1.451 nan 8.150 nan 0.000 0.499 30 G N -1.089 107.779 108.800 0.113 0.000 2.130 30 G HA2 -0.161 3.800 3.960 0.000 0.000 0.216 30 G HA3 -0.161 3.800 3.960 0.000 0.000 0.216 30 G C 0.146 175.190 174.900 0.239 0.000 0.999 30 G CA 0.233 45.435 45.100 0.171 0.000 0.686 30 G HN 0.556 nan 8.290 nan 0.000 0.515 31 T N 0.557 115.211 114.554 0.167 0.000 2.823 31 T HA 0.549 4.899 4.350 0.000 0.000 0.279 31 T C -0.082 174.642 174.700 0.040 0.000 0.998 31 T CA -0.446 61.745 62.100 0.153 0.000 0.994 31 T CB 1.842 70.770 68.868 0.100 0.000 0.960 31 T HN 0.712 nan 8.240 nan 0.000 0.448 32 L N 4.047 125.217 121.223 -0.089 0.000 2.334 32 L HA 0.345 4.685 4.340 0.000 0.000 0.286 32 L C 0.191 176.956 176.870 -0.174 0.000 1.108 32 L CA -0.049 54.613 54.840 -0.296 0.000 0.875 32 L CB -0.317 41.283 42.059 -0.765 0.000 1.246 32 L HN 0.588 nan 8.230 nan 0.000 0.439 33 E N 5.624 125.765 120.200 -0.098 0.000 1.814 33 E HA 0.039 4.389 4.350 0.000 0.000 0.264 33 E C 1.028 177.591 176.600 -0.061 0.000 1.179 33 E CA -0.085 56.286 56.400 -0.049 0.000 0.972 33 E CB 0.495 30.185 29.700 -0.016 0.000 1.077 33 E HN 0.765 nan 8.360 nan 0.000 0.417 34 L N 1.629 122.809 121.223 -0.072 0.000 2.013 34 L HA -0.155 4.185 4.340 0.000 0.000 0.212 34 L C 1.500 178.346 176.870 -0.041 0.000 1.073 34 L CA 1.335 56.129 54.840 -0.077 0.000 0.753 34 L CB -0.557 41.446 42.059 -0.093 0.000 0.890 34 L HN 0.459 nan 8.230 nan 0.000 0.432 35 T N -2.435 112.130 114.554 0.017 0.000 2.925 35 T HA 0.680 5.030 4.350 0.000 0.000 0.285 35 T C -0.086 174.637 174.700 0.040 0.000 1.021 35 T CA -0.718 61.402 62.100 0.034 0.000 1.042 35 T CB 1.996 70.930 68.868 0.109 0.000 1.037 35 T HN 0.163 nan 8.240 nan 0.000 0.481 36 A N 1.562 124.396 122.820 0.024 0.000 2.540 36 A HA 0.524 4.844 4.320 0.000 0.000 0.239 36 A C 0.010 177.608 177.584 0.024 0.000 1.061 36 A CA -0.465 51.582 52.037 0.016 0.000 0.758 36 A CB -0.265 18.740 19.000 0.007 0.000 0.991 36 A HN 0.924 nan 8.150 nan 0.000 0.502 37 V N 2.948 122.873 119.914 0.017 0.000 2.398 37 V HA 0.437 4.557 4.120 0.000 0.000 0.282 37 V C 0.868 176.969 176.094 0.012 0.000 1.014 37 V CA 0.068 62.378 62.300 0.017 0.000 0.838 37 V CB 0.426 32.261 31.823 0.019 0.000 1.018 37 V HN 1.205 nan 8.190 nan 0.000 0.432 38 A N 4.485 127.311 122.820 0.009 0.000 1.858 38 A HA 0.356 4.676 4.320 0.000 0.000 0.215 38 A C 2.139 179.727 177.584 0.007 0.000 1.320 38 A CA 1.460 53.501 52.037 0.007 0.000 0.601 38 A CB -0.687 18.316 19.000 0.005 0.000 0.976 38 A HN 0.937 nan 8.150 nan 0.000 0.470 39 A N -1.698 121.125 122.820 0.006 0.000 1.823 39 A HA 0.378 4.698 4.320 0.000 0.000 0.214 39 A C 1.763 179.352 177.584 0.008 0.000 1.225 39 A CA 1.996 54.036 52.037 0.006 0.000 0.604 39 A CB -0.838 18.164 19.000 0.004 0.000 0.878 39 A HN 1.526 nan 8.150 nan 0.000 0.450 40 G N -2.337 106.467 108.800 0.008 0.000 5.364 40 G HA2 0.544 4.504 3.960 0.000 0.000 0.220 40 G HA3 0.544 4.504 3.960 0.000 0.000 0.220 40 G C -0.260 174.645 174.900 0.009 0.000 0.838 40 G CA 0.743 45.850 45.100 0.011 0.000 0.727 40 G HN 1.014 nan 8.290 nan 0.000 0.303 41 A N 0.524 123.348 122.820 0.006 0.000 2.401 41 A HA 0.970 5.290 4.320 0.000 0.000 0.310 41 A C -2.966 174.622 177.584 0.006 0.000 1.075 41 A CA -1.613 50.425 52.037 0.002 0.000 0.746 41 A CB 1.968 20.967 19.000 -0.002 0.000 1.277 41 A HN 0.021 nan 8.150 nan 0.000 0.425 42 P HA 0.337 nan 4.420 nan 0.000 0.270 42 P C -0.701 176.608 177.300 0.015 0.000 1.223 42 P CA -0.131 62.979 63.100 0.017 0.000 0.785 42 P CB 0.646 32.354 31.700 0.014 0.000 0.923 43 V N 3.677 123.605 119.914 0.023 0.000 2.513 43 V HA 0.389 4.509 4.120 0.000 0.000 0.299 43 V C -2.131 173.973 176.094 0.016 0.000 1.035 43 V CA -2.060 60.249 62.300 0.014 0.000 0.889 43 V CB 1.546 33.375 31.823 0.011 0.000 0.988 43 V HN 0.525 nan 8.190 nan 0.000 0.440 44 P HA 0.248 nan 4.420 nan 0.000 0.274 44 P C 0.073 177.372 177.300 -0.001 0.000 1.246 44 P CA 0.029 63.130 63.100 0.000 0.000 0.795 44 P CB 0.333 32.028 31.700 -0.008 0.000 1.006 45 D N -2.310 118.086 120.400 -0.007 0.000 3.076 45 D HA -0.142 4.498 4.640 0.000 0.000 0.218 45 D C -0.188 176.108 176.300 -0.007 0.000 1.156 45 D CA 1.148 55.144 54.000 -0.006 0.000 0.921 45 D CB -1.121 39.677 40.800 -0.004 0.000 1.113 45 D HN 0.343 nan 8.370 nan 0.000 0.418 46 S N -0.133 115.563 115.700 -0.006 0.000 2.541 46 S HA 0.695 5.165 4.470 0.000 0.000 0.283 46 S C -0.336 174.245 174.600 -0.033 0.000 1.196 46 S CA -0.653 57.539 58.200 -0.012 0.000 1.062 46 S CB 1.472 64.673 63.200 0.001 0.000 1.009 46 S HN 0.294 nan 8.310 nan 0.000 0.502 47 L N 4.049 125.248 121.223 -0.040 0.000 2.438 47 L HA 0.828 5.169 4.340 0.000 0.000 0.270 47 L C -0.386 176.446 176.870 -0.062 0.000 0.972 47 L CA -0.291 54.513 54.840 -0.061 0.000 0.831 47 L CB 1.537 43.565 42.059 -0.051 0.000 1.273 47 L HN 0.839 nan 8.230 nan 0.000 0.405 48 G N 4.666 113.418 108.800 -0.081 0.000 2.682 48 G HA2 0.698 4.658 3.960 0.000 0.000 0.300 48 G HA3 0.698 4.658 3.960 0.000 0.000 0.300 48 G C -1.643 173.219 174.900 -0.063 0.000 1.391 48 G CA -0.639 44.420 45.100 -0.069 0.000 0.990 48 G HN 0.576 nan 8.290 nan 0.000 0.501 49 R N -0.065 120.411 120.500 -0.039 0.000 2.771 49 R HA 0.817 5.158 4.340 0.000 0.000 0.274 49 R C -1.219 175.079 176.300 -0.003 0.000 0.987 49 R CA -1.011 55.092 56.100 0.005 0.000 0.908 49 R CB 2.728 33.045 30.300 0.029 0.000 1.213 49 R HN 0.812 nan 8.270 nan 0.000 0.468 50 A N 2.479 125.309 122.820 0.017 0.000 2.456 50 A HA 0.622 4.942 4.320 0.000 0.000 0.288 50 A C -1.405 176.163 177.584 -0.027 0.000 1.042 50 A CA -0.607 51.424 52.037 -0.011 0.000 0.738 50 A CB 0.980 19.960 19.000 -0.032 0.000 1.266 50 A HN 0.470 nan 8.150 nan 0.000 0.407 51 L N 1.119 122.333 121.223 -0.015 0.000 2.301 51 L HA 0.584 4.924 4.340 0.000 0.000 0.264 51 L C -0.391 176.537 176.870 0.097 0.000 1.016 51 L CA -0.859 53.969 54.840 -0.020 0.000 0.821 51 L CB 1.267 43.255 42.059 -0.119 0.000 1.346 51 L HN 0.702 nan 8.230 nan 0.000 0.429 52 Y N 0.538 120.828 120.300 -0.015 0.000 2.319 52 Y HA 0.411 4.961 4.550 0.000 0.000 0.328 52 Y C 1.101 176.887 175.900 -0.191 0.000 1.133 52 Y CA 0.085 58.069 58.100 -0.193 0.000 1.265 52 Y CB 1.632 39.740 38.460 -0.588 0.000 1.218 52 Y HN 0.733 nan 8.280 nan 0.000 0.508 53 A N 5.399 127.739 122.820 -0.801 0.000 1.873 53 A HA -0.005 4.315 4.320 0.000 0.000 0.218 53 A C 1.275 178.579 177.584 -0.467 0.000 1.193 53 A CA 1.328 53.027 52.037 -0.562 0.000 0.629 53 A CB -1.366 17.331 19.000 -0.506 0.000 0.826 53 A HN 0.946 nan 8.150 nan 0.000 0.447 54 A N 0.688 123.136 122.820 -0.620 0.000 2.409 54 A HA 0.529 4.849 4.320 0.000 0.000 0.267 54 A C -2.291 175.279 177.584 -0.025 0.000 1.127 54 A CA -1.357 50.560 52.037 -0.200 0.000 0.795 54 A CB -0.351 18.629 19.000 -0.033 0.000 1.061 54 A HN 0.291 nan 8.150 nan 0.000 0.502 55 P HA 0.238 nan 4.420 nan 0.000 0.268 55 P C -0.389 176.995 177.300 0.139 0.000 1.208 55 P CA 0.176 63.300 63.100 0.040 0.000 0.777 55 P CB 0.382 32.097 31.700 0.025 0.000 0.875 56 I N -1.205 119.449 120.570 0.141 0.000 2.603 56 I HA 0.396 4.566 4.170 0.000 0.000 0.300 56 I C -0.529 175.714 176.117 0.210 0.000 1.017 56 I CA -0.671 60.743 61.300 0.190 0.000 1.098 56 I CB 1.732 39.809 38.000 0.129 0.000 1.279 56 I HN 0.312 nan 8.210 nan 0.000 0.437 57 H N 5.314 124.414 119.070 0.051 0.000 2.761 57 H HA 0.346 4.902 4.556 0.000 0.000 0.284 57 H C 0.196 175.435 175.328 -0.149 0.000 1.105 57 H CA -0.404 55.478 56.048 -0.277 0.000 1.352 57 H CB 1.266 30.864 29.762 -0.273 0.000 1.423 57 H HN 0.812 nan 8.280 nan 0.000 0.464 58 I N 4.508 125.047 120.570 -0.053 0.000 3.645 58 I HA 0.040 4.210 4.170 0.000 0.000 0.300 58 I C -0.171 175.965 176.117 0.030 0.000 1.260 58 I CA 0.337 61.646 61.300 0.015 0.000 1.365 58 I CB 0.042 38.077 38.000 0.060 0.000 1.077 58 I HN 0.766 nan 8.210 nan 0.000 0.439 59 H N -2.200 116.767 119.070 -0.173 0.000 3.003 59 H HA 0.470 5.027 4.556 0.000 0.000 0.327 59 H C -1.371 173.827 175.328 -0.217 0.000 1.353 59 H CA -0.929 55.016 56.048 -0.172 0.000 1.142 59 H CB 0.370 30.109 29.762 -0.038 0.000 1.864 59 H HN -0.047 nan 8.280 nan 0.000 0.529 60 D N 1.092 121.491 120.400 -0.001 0.000 2.957 60 D HA 0.174 4.814 4.640 0.000 0.000 0.352 60 D C -0.115 176.292 176.300 0.178 0.000 1.352 60 D CA -0.501 53.529 54.000 0.051 0.000 0.831 60 D CB -0.479 40.321 40.800 -0.000 0.000 1.147 60 D HN 0.680 nan 8.370 nan 0.000 0.467 61 N N -0.439 118.509 118.700 0.413 0.000 1.910 61 N HA -0.259 4.481 4.740 0.000 0.000 0.214 61 N C 1.332 176.910 175.510 0.113 0.000 1.113 61 N CA 3.119 56.319 53.050 0.250 0.000 3.595 61 N CB -1.515 37.064 38.487 0.154 0.000 0.733 61 N HN 0.564 nan 8.380 nan 0.000 0.352 62 T N -3.531 111.078 114.554 0.091 0.000 3.038 62 T HA 0.233 4.584 4.350 0.000 0.000 0.244 62 T C 0.693 175.416 174.700 0.039 0.000 1.016 62 T CA 1.023 63.152 62.100 0.047 0.000 1.098 62 T CB 0.259 69.150 68.868 0.039 0.000 0.954 62 T HN 0.193 nan 8.240 nan 0.000 0.469 63 T N 2.488 117.069 114.554 0.046 0.000 2.859 63 T HA 0.692 5.042 4.350 0.000 0.000 0.281 63 T C -0.525 174.209 174.700 0.056 0.000 1.005 63 T CA -0.599 61.522 62.100 0.035 0.000 1.025 63 T CB 1.705 70.583 68.868 0.016 0.000 0.977 63 T HN 0.203 nan 8.240 nan 0.000 0.458 64 L N 2.012 123.279 121.223 0.073 0.000 2.360 64 L HA 0.714 5.054 4.340 0.000 0.000 0.271 64 L C 0.646 177.590 176.870 0.123 0.000 1.057 64 L CA -0.799 54.119 54.840 0.129 0.000 0.803 64 L CB 1.028 43.200 42.059 0.188 0.000 1.207 64 L HN 0.744 nan 8.230 nan 0.000 0.445 65 A N 1.570 124.487 122.820 0.161 0.000 2.264 65 A HA 0.696 5.017 4.320 0.000 0.000 0.304 65 A C -0.263 177.479 177.584 0.263 0.000 1.100 65 A CA -0.341 51.792 52.037 0.160 0.000 0.839 65 A CB 0.868 19.956 19.000 0.146 0.000 1.121 65 A HN 0.626 nan 8.150 nan 0.000 0.496 66 S N -0.521 115.294 115.700 0.192 0.000 2.608 66 S HA 0.809 5.279 4.470 0.000 0.000 0.291 66 S C -0.842 173.886 174.600 0.213 0.000 1.146 66 S CA -0.227 58.069 58.200 0.161 0.000 1.043 66 S CB 0.789 64.005 63.200 0.028 0.000 1.037 66 S HN 0.880 nan 8.310 nan 0.000 0.520 67 F N -1.154 118.823 119.950 0.045 0.000 2.654 67 F HA 0.783 5.310 4.527 0.000 0.000 0.308 67 F C -0.950 174.743 175.800 -0.179 0.000 1.108 67 F CA -0.680 57.231 58.000 -0.149 0.000 0.957 67 F CB 1.215 40.097 39.000 -0.197 0.000 1.309 67 F HN 0.353 nan 8.300 nan 0.000 0.446 68 T N 1.311 115.775 114.554 -0.149 0.000 2.921 68 T HA 0.582 4.932 4.350 0.000 0.000 0.297 68 T C -1.216 173.364 174.700 -0.200 0.000 1.013 68 T CA -0.641 61.365 62.100 -0.155 0.000 0.990 68 T CB 1.767 70.543 68.868 -0.154 0.000 1.023 68 T HN 0.937 nan 8.240 nan 0.000 0.447 69 T N 1.635 116.172 114.554 -0.027 0.000 2.893 69 T HA 0.692 5.042 4.350 0.000 0.000 0.293 69 T C -1.119 173.678 174.700 0.161 0.000 1.027 69 T CA -0.426 61.735 62.100 0.102 0.000 0.988 69 T CB 1.166 70.218 68.868 0.307 0.000 1.043 69 T HN 0.465 nan 8.240 nan 0.000 0.461 70 S N 3.100 118.962 115.700 0.270 0.000 2.532 70 S HA 0.842 5.312 4.470 0.000 0.000 0.299 70 S C -1.269 173.631 174.600 0.499 0.000 1.105 70 S CA -0.684 57.642 58.200 0.211 0.000 1.018 70 S CB 0.625 63.879 63.200 0.091 0.000 1.021 70 S HN 0.650 nan 8.310 nan 0.000 0.483 71 F N -0.586 119.525 119.950 0.268 0.000 2.643 71 F HA 0.880 5.407 4.527 0.000 0.000 0.314 71 F C -0.501 175.368 175.800 0.115 0.000 1.096 71 F CA -0.902 57.281 58.000 0.305 0.000 0.953 71 F CB 1.190 40.446 39.000 0.427 0.000 1.345 71 F HN 0.344 nan 8.300 nan 0.000 0.468 72 S N 1.307 117.176 115.700 0.282 0.000 2.500 72 S HA 0.797 5.268 4.470 0.000 0.000 0.301 72 S C -1.276 173.426 174.600 0.170 0.000 1.092 72 S CA -0.582 57.645 58.200 0.045 0.000 1.030 72 S CB 1.377 64.592 63.200 0.024 0.000 1.031 72 S HN 0.696 nan 8.310 nan 0.000 0.483 73 F N 0.785 120.745 119.950 0.017 0.000 2.675 73 F HA 0.952 5.480 4.527 0.001 0.000 0.324 73 F C -1.417 174.386 175.800 0.004 0.000 1.106 73 F CA -1.169 56.833 58.000 0.003 0.000 0.970 73 F CB 0.812 39.803 39.000 -0.015 0.000 1.385 73 F HN 0.264 nan 8.300 nan 0.000 0.489 74 V N 2.466 122.630 119.914 0.417 0.000 2.733 74 V HA 0.447 4.567 4.120 0.000 0.000 0.306 74 V C -0.735 175.553 176.094 0.324 0.000 1.084 74 V CA -0.789 61.690 62.300 0.298 0.000 0.905 74 V CB 1.882 33.797 31.823 0.152 0.000 1.010 74 V HN 0.847 nan 8.190 nan 0.000 0.424 75 M N 3.885 123.665 119.600 0.300 0.000 2.227 75 M HA 0.799 5.279 4.480 0.000 0.000 0.335 75 M C -0.209 176.259 176.300 0.280 0.000 1.053 75 M CA -0.441 54.970 55.300 0.185 0.000 0.973 75 M CB 2.053 34.728 32.600 0.125 0.000 1.623 75 M HN 0.752 nan 8.290 nan 0.000 0.434 76 A N 2.689 125.624 122.820 0.191 0.000 2.355 76 A HA 1.002 5.322 4.320 0.000 0.000 0.324 76 A C -1.032 176.594 177.584 0.070 0.000 1.117 76 A CA -0.591 51.550 52.037 0.173 0.000 0.785 76 A CB 1.387 20.440 19.000 0.089 0.000 1.254 76 A HN 0.899 nan 8.150 nan 0.000 0.453 77 A N 2.139 124.930 122.820 -0.049 0.000 2.488 77 A HA 0.742 5.062 4.320 0.000 0.000 0.298 77 A C -2.270 175.224 177.584 -0.150 0.000 1.044 77 A CA -1.188 50.733 52.037 -0.193 0.000 0.693 77 A CB 0.730 19.412 19.000 -0.531 0.000 1.272 77 A HN 0.511 nan 8.150 nan 0.000 0.402 78 P HA 0.137 nan 4.420 nan 0.000 0.216 78 P C 0.376 177.618 177.300 -0.098 0.000 1.153 78 P CA 1.675 64.729 63.100 -0.077 0.000 0.844 78 P CB 0.315 31.983 31.700 -0.054 0.000 0.787 79 A N -0.816 121.926 122.820 -0.131 0.000 2.522 79 A HA 0.638 4.958 4.320 0.000 0.000 0.285 79 A C 1.052 178.522 177.584 -0.191 0.000 1.198 79 A CA -0.076 51.886 52.037 -0.126 0.000 0.742 79 A CB 0.839 19.792 19.000 -0.078 0.000 1.176 79 A HN 0.050 nan 8.150 nan 0.000 0.444 80 A N 1.732 124.416 122.820 -0.228 0.000 2.214 80 A HA 0.103 4.423 4.320 0.000 0.000 0.221 80 A C 1.556 179.038 177.584 -0.171 0.000 1.167 80 A CA 2.299 54.156 52.037 -0.299 0.000 0.670 80 A CB -0.080 18.829 19.000 -0.151 0.000 0.797 80 A HN 1.923 nan 8.150 nan 0.000 0.477 81 A N -2.019 120.740 122.820 -0.101 0.000 2.606 81 A HA 0.667 4.987 4.320 0.000 0.000 0.290 81 A C 0.554 178.127 177.584 -0.019 0.000 1.174 81 A CA 0.655 52.667 52.037 -0.041 0.000 0.958 81 A CB -0.057 18.927 19.000 -0.027 0.000 1.194 81 A HN 1.358 nan 8.150 nan 0.000 0.526 82 A N 0.571 123.370 122.820 -0.035 0.000 3.007 82 A HA 0.560 4.880 4.320 0.000 0.000 0.314 82 A C -0.584 176.992 177.584 -0.013 0.000 1.153 82 A CA 0.055 52.093 52.037 0.002 0.000 0.780 82 A CB -0.020 18.972 19.000 -0.014 0.000 1.258 82 A HN 1.320 nan 8.150 nan 0.000 0.460 83 V N -1.693 118.246 119.914 0.042 0.000 2.888 83 V HA 1.049 5.169 4.120 0.000 0.000 0.309 83 V C -0.306 175.876 176.094 0.146 0.000 1.114 83 V CA -0.289 62.041 62.300 0.050 0.000 0.940 83 V CB 1.041 32.873 31.823 0.015 0.000 1.021 83 V HN 2.178 nan 8.190 nan 0.000 0.426 84 A N 1.926 124.822 122.820 0.125 0.000 2.567 84 A HA 0.700 5.020 4.320 0.000 0.000 0.291 84 A C -0.557 177.133 177.584 0.177 0.000 1.048 84 A CA -0.051 52.062 52.037 0.127 0.000 0.661 84 A CB 1.494 20.446 19.000 -0.080 0.000 1.288 84 A HN 0.815 nan 8.150 nan 0.000 0.424 85 D N -0.140 120.363 120.400 0.171 0.000 2.441 85 D HA 0.418 5.058 4.640 0.000 0.000 0.210 85 D C 0.736 177.138 176.300 0.170 0.000 1.102 85 D CA 1.449 55.520 54.000 0.118 0.000 0.840 85 D CB 1.194 42.006 40.800 0.021 0.000 0.990 85 D HN 1.522 nan 8.370 nan 0.000 0.505 86 G N 1.134 110.092 108.800 0.263 0.000 2.423 86 G HA2 0.128 4.088 3.960 0.000 0.000 0.684 86 G HA3 0.128 4.088 3.960 0.000 0.000 0.684 86 G C -1.452 173.486 174.900 0.064 0.000 1.309 86 G CA -0.601 44.637 45.100 0.230 0.000 0.950 86 G HN 0.159 nan 8.290 nan 0.000 0.587 87 L N -2.353 118.938 121.223 0.113 0.000 2.327 87 L HA 1.112 5.452 4.340 0.000 0.000 0.258 87 L C 0.071 177.054 176.870 0.189 0.000 1.024 87 L CA -0.570 54.296 54.840 0.043 0.000 0.825 87 L CB 1.781 43.827 42.059 -0.022 0.000 1.386 87 L HN 2.418 nan 8.230 nan 0.000 0.417 88 A N 1.049 123.982 122.820 0.188 0.000 2.549 88 A HA 0.778 5.098 4.320 0.000 0.000 0.297 88 A C -1.705 176.104 177.584 0.374 0.000 1.061 88 A CA -0.403 51.808 52.037 0.290 0.000 0.690 88 A CB 1.196 20.271 19.000 0.125 0.000 1.287 88 A HN 0.915 nan 8.150 nan 0.000 0.402 89 F N 2.418 122.551 119.950 0.305 0.000 2.422 89 F HA 0.832 5.360 4.527 0.000 0.000 0.333 89 F C -0.857 175.093 175.800 0.251 0.000 1.095 89 F CA -0.947 57.123 58.000 0.118 0.000 1.038 89 F CB 1.100 40.174 39.000 0.124 0.000 1.156 89 F HN 0.709 nan 8.300 nan 0.000 0.483 90 F N 3.946 123.247 119.950 -1.081 0.000 2.711 90 F HA 0.793 5.320 4.527 0.000 0.000 0.313 90 F C -2.575 172.824 175.800 -0.667 0.000 1.141 90 F CA -1.802 55.817 58.000 -0.635 0.000 0.941 90 F CB 0.886 39.693 39.000 -0.322 0.000 1.349 90 F HN 0.324 nan 8.300 nan 0.000 0.464 91 L N 2.239 123.301 121.223 -0.270 0.000 2.362 91 L HA 0.998 5.338 4.340 0.000 0.000 0.271 91 L C -0.202 176.653 176.870 -0.026 0.000 1.002 91 L CA -0.517 54.162 54.840 -0.269 0.000 0.818 91 L CB 1.586 43.568 42.059 -0.128 0.000 1.298 91 L HN 1.169 nan 8.230 nan 0.000 0.420 92 A N 2.616 125.398 122.820 -0.063 0.000 2.586 92 A HA 0.904 5.224 4.320 0.000 0.000 0.290 92 A C -2.992 174.605 177.584 0.021 0.000 1.086 92 A CA -1.397 50.679 52.037 0.065 0.000 0.665 92 A CB 1.155 20.282 19.000 0.210 0.000 1.279 92 A HN 0.410 nan 8.150 nan 0.000 0.423 93 P HA 0.192 nan 4.420 nan 0.000 0.268 93 P C -2.001 175.303 177.300 0.007 0.000 1.208 93 P CA -0.663 62.457 63.100 0.034 0.000 0.777 93 P CB 0.133 31.859 31.700 0.042 0.000 0.875 94 P HA -0.181 nan 4.420 nan 0.000 0.217 94 P C 0.486 177.766 177.300 -0.033 0.000 1.148 94 P CA 1.654 64.736 63.100 -0.029 0.000 0.828 94 P CB -0.225 31.455 31.700 -0.034 0.000 0.783 95 D N -2.511 117.877 120.400 -0.020 0.000 2.427 95 D HA 0.008 4.648 4.640 0.000 0.000 0.224 95 D C 0.128 176.424 176.300 -0.007 0.000 1.157 95 D CA -0.200 53.788 54.000 -0.021 0.000 0.828 95 D CB -1.313 39.473 40.800 -0.024 0.000 0.974 95 D HN -0.047 nan 8.370 nan 0.000 0.498 96 T N 0.446 115.005 114.554 0.008 0.000 2.933 96 T HA -0.002 4.348 4.350 0.000 0.000 0.306 96 T C -0.075 174.634 174.700 0.014 0.000 1.045 96 T CA 0.225 62.344 62.100 0.031 0.000 1.143 96 T CB 0.435 69.358 68.868 0.091 0.000 1.003 96 T HN 0.054 nan 8.240 nan 0.000 0.540 97 Q N 4.117 123.916 119.800 -0.002 0.000 2.387 97 Q HA 0.453 4.793 4.340 0.000 0.000 0.273 97 Q C -2.454 173.517 176.000 -0.048 0.000 1.089 97 Q CA -2.329 53.461 55.803 -0.021 0.000 0.824 97 Q CB 1.614 30.337 28.738 -0.025 0.000 1.367 97 Q HN 0.520 nan 8.270 nan 0.000 0.443 98 P HA -0.015 nan 4.420 nan 0.000 0.266 98 P C -0.151 177.090 177.300 -0.098 0.000 1.193 98 P CA 0.346 63.389 63.100 -0.095 0.000 0.770 98 P CB 0.772 32.429 31.700 -0.072 0.000 0.836 99 Q N 0.966 120.687 119.800 -0.133 0.000 3.138 99 Q HA 0.601 4.941 4.340 0.000 0.000 0.205 99 Q C -0.118 175.821 176.000 -0.101 0.000 1.131 99 Q CA -0.784 54.949 55.803 -0.118 0.000 0.558 99 Q CB -0.252 28.397 28.738 -0.147 0.000 4.484 99 Q HN 0.437 nan 8.270 nan 0.000 0.324 100 A N 1.312 124.055 122.820 -0.127 0.000 2.407 100 A HA 0.340 4.661 4.320 0.000 0.000 0.248 100 A C 0.513 178.146 177.584 0.082 0.000 1.082 100 A CA -0.199 51.795 52.037 -0.071 0.000 0.785 100 A CB 0.148 18.979 19.000 -0.281 0.000 1.020 100 A HN 0.528 nan 8.150 nan 0.000 0.489 101 R N 1.766 122.327 120.500 0.101 0.000 2.562 101 R HA 0.706 5.046 4.340 0.000 0.000 0.217 101 R C 1.043 177.456 176.300 0.188 0.000 1.234 101 R CA -0.187 55.972 56.100 0.098 0.000 1.027 101 R CB -0.764 29.557 30.300 0.035 0.000 1.525 101 R HN 1.720 nan 8.270 nan 0.000 0.527 102 G N -0.656 108.193 108.800 0.083 0.000 2.556 102 G HA2 -0.373 3.587 3.960 0.000 0.000 0.283 102 G HA3 -0.373 3.587 3.960 0.000 0.000 0.283 102 G C 0.812 175.728 174.900 0.027 0.000 1.177 102 G CA 0.269 45.394 45.100 0.041 0.000 0.978 102 G HN 0.853 nan 8.290 nan 0.000 0.554 103 G N -0.654 108.130 108.800 -0.028 0.000 2.848 103 G HA2 0.336 4.296 3.960 0.000 0.000 0.208 103 G HA3 0.336 4.296 3.960 0.000 0.000 0.208 103 G C 1.110 175.971 174.900 -0.064 0.000 1.152 103 G CA 1.189 46.278 45.100 -0.018 0.000 0.789 103 G HN 0.452 nan 8.290 nan 0.000 0.531 104 F N -0.142 119.912 119.950 0.173 0.000 2.727 104 F HA 0.297 4.824 4.527 0.000 0.000 0.302 104 F C 1.423 177.199 175.800 -0.041 0.000 1.097 104 F CA -0.453 57.593 58.000 0.076 0.000 1.330 104 F CB -0.029 38.989 39.000 0.030 0.000 1.084 104 F HN -0.049 nan 8.300 nan 0.000 0.578 105 L N -0.167 121.103 121.223 0.079 0.000 4.491 105 L HA -0.323 4.017 4.340 0.000 0.000 0.433 105 L C 1.354 178.131 176.870 -0.155 0.000 1.135 105 L CA 0.684 55.492 54.840 -0.054 0.000 0.971 105 L CB -2.464 39.555 42.059 -0.066 0.000 1.949 105 L HN 0.450 nan 8.230 nan 0.000 0.953 106 G N -1.102 107.629 108.800 -0.116 0.000 2.136 106 G HA2 -0.292 3.668 3.960 0.000 0.000 0.242 106 G HA3 -0.292 3.668 3.960 0.000 0.000 0.242 106 G C 0.483 175.149 174.900 -0.391 0.000 0.989 106 G CA 0.354 45.334 45.100 -0.200 0.000 0.682 106 G HN 0.416 nan 8.290 nan 0.000 0.522 107 L N -2.154 118.733 121.223 -0.559 0.000 2.642 107 L HA 0.513 4.853 4.340 0.000 0.000 0.233 107 L C 0.521 176.610 176.870 -1.301 0.000 1.077 107 L CA 0.148 54.347 54.840 -1.069 0.000 0.879 107 L CB 0.214 41.362 42.059 -1.519 0.000 1.151 107 L HN 0.133 nan 8.230 nan 0.000 0.495 108 F N -1.606 118.190 119.950 -0.257 0.000 2.603 108 F HA 0.602 5.129 4.527 0.000 0.000 0.317 108 F C 0.768 176.381 175.800 -0.312 0.000 1.066 108 F CA -0.756 57.045 58.000 -0.331 0.000 0.941 108 F CB 1.425 40.178 39.000 -0.413 0.000 1.291 108 F HN -0.329 nan 8.300 nan 0.000 0.472 109 A N -0.262 122.549 122.820 -0.016 0.000 1.973 109 A HA 0.251 4.571 4.320 0.000 0.000 0.210 109 A C 0.259 177.497 177.584 -0.576 0.000 1.200 109 A CA 1.400 53.269 52.037 -0.279 0.000 0.707 109 A CB -0.444 18.512 19.000 -0.073 0.000 0.862 109 A HN 0.818 nan 8.150 nan 0.000 0.461 110 D N -2.083 118.133 120.400 -0.307 0.000 3.224 110 D HA 0.292 4.932 4.640 0.000 0.000 0.268 110 D C 0.495 176.810 176.300 0.026 0.000 1.310 110 D CA -0.150 53.729 54.000 -0.202 0.000 1.035 110 D CB -0.143 40.629 40.800 -0.048 0.000 1.293 110 D HN 0.115 nan 8.370 nan 0.000 0.630 111 R N -0.386 120.145 120.500 0.052 0.000 2.577 111 R HA 0.720 5.060 4.340 0.000 0.000 0.344 111 R C -0.133 176.137 176.300 -0.050 0.000 1.037 111 R CA -0.600 55.458 56.100 -0.071 0.000 1.102 111 R CB 0.360 30.599 30.300 -0.101 0.000 1.313 111 R HN 0.339 nan 8.270 nan 0.000 0.561 112 A N 1.171 123.999 122.820 0.014 0.000 2.272 112 A HA 0.181 4.501 4.320 0.000 0.000 0.275 112 A C -0.843 176.787 177.584 0.077 0.000 1.096 112 A CA -0.441 51.620 52.037 0.040 0.000 0.822 112 A CB 0.207 19.228 19.000 0.035 0.000 1.088 112 A HN 0.534 nan 8.150 nan 0.000 0.495 113 H N 0.086 119.142 119.070 -0.023 0.000 2.628 113 H HA 0.440 4.996 4.556 0.000 0.000 0.250 113 H C -1.196 174.153 175.328 0.035 0.000 1.442 113 H CA -0.445 55.591 56.048 -0.019 0.000 1.282 113 H CB -0.157 29.579 29.762 -0.043 0.000 1.487 113 H HN 0.626 nan 8.280 nan 0.000 0.544 114 D N 2.434 122.785 120.400 -0.082 0.000 2.280 114 D HA 0.292 4.932 4.640 0.000 0.000 0.243 114 D C 0.975 177.152 176.300 -0.205 0.000 1.129 114 D CA 0.051 53.935 54.000 -0.194 0.000 0.848 114 D CB 1.228 41.834 40.800 -0.322 0.000 1.107 114 D HN 0.570 nan 8.370 nan 0.000 0.471 115 A N 2.766 125.464 122.820 -0.204 0.000 2.172 115 A HA -0.087 4.233 4.320 0.000 0.000 0.216 115 A C 1.893 179.437 177.584 -0.065 0.000 1.154 115 A CA 1.252 53.211 52.037 -0.130 0.000 0.701 115 A CB -0.499 18.448 19.000 -0.088 0.000 0.789 115 A HN 0.551 nan 8.150 nan 0.000 0.465 116 S N -1.900 113.724 115.700 -0.127 0.000 2.603 116 S HA -0.003 4.467 4.470 0.000 0.000 0.220 116 S C 1.443 175.997 174.600 -0.076 0.000 0.967 116 S CA 0.293 58.427 58.200 -0.110 0.000 0.920 116 S CB -0.685 62.422 63.200 -0.155 0.000 0.773 116 S HN 0.491 nan 8.310 nan 0.000 0.529 117 Y N 1.706 122.006 120.300 -0.000 0.000 2.263 117 Y HA 0.144 4.694 4.550 0.000 0.000 0.292 117 Y C 1.355 177.292 175.900 0.062 0.000 1.130 117 Y CA 0.831 58.964 58.100 0.056 0.000 1.179 117 Y CB -0.680 37.868 38.460 0.148 0.000 0.998 117 Y HN 0.387 nan 8.280 nan 0.000 0.532 118 Q N 0.546 120.477 119.800 0.218 0.000 2.443 118 Q HA -0.195 4.145 4.340 0.000 0.000 0.337 118 Q C -0.727 175.377 176.000 0.173 0.000 1.401 118 Q CA 0.822 56.719 55.803 0.157 0.000 0.943 118 Q CB -2.007 26.798 28.738 0.112 0.000 1.177 118 Q HN 0.215 nan 8.270 nan 0.000 0.394 119 T N 0.001 114.681 114.554 0.209 0.000 2.921 119 T HA 0.581 4.931 4.350 0.000 0.000 0.297 119 T C -0.523 174.300 174.700 0.206 0.000 1.013 119 T CA -0.536 61.680 62.100 0.193 0.000 0.990 119 T CB 2.042 70.997 68.868 0.146 0.000 1.023 119 T HN 0.079 nan 8.240 nan 0.000 0.447 120 V N 2.336 122.363 119.914 0.189 0.000 2.604 120 V HA 0.957 5.077 4.120 0.000 0.000 0.305 120 V C -0.301 175.927 176.094 0.222 0.000 1.043 120 V CA -0.628 61.792 62.300 0.201 0.000 0.888 120 V CB 1.654 33.586 31.823 0.182 0.000 0.995 120 V HN 1.119 nan 8.190 nan 0.000 0.429 121 A N 3.755 126.714 122.820 0.231 0.000 2.572 121 A HA 0.899 5.219 4.320 0.000 0.000 0.295 121 A C -1.527 176.195 177.584 0.230 0.000 1.072 121 A CA -0.556 51.624 52.037 0.238 0.000 0.691 121 A CB 2.228 21.322 19.000 0.157 0.000 1.291 121 A HN 0.680 nan 8.150 nan 0.000 0.404 122 V N 2.426 122.501 119.914 0.268 0.000 2.376 122 V HA 0.419 4.539 4.120 0.000 0.000 0.287 122 V C -0.272 175.851 176.094 0.047 0.000 1.015 122 V CA -0.424 61.966 62.300 0.150 0.000 0.834 122 V CB 1.084 33.038 31.823 0.218 0.000 1.001 122 V HN 1.005 nan 8.190 nan 0.000 0.428 123 E N 3.950 124.090 120.200 -0.100 0.000 2.222 123 E HA 0.705 5.055 4.350 0.000 0.000 0.272 123 E C -1.551 174.785 176.600 -0.441 0.000 0.982 123 E CA -0.788 55.556 56.400 -0.093 0.000 0.842 123 E CB 1.812 31.525 29.700 0.023 0.000 1.144 123 E HN 0.418 nan 8.360 nan 0.000 0.397 124 F N 1.275 121.269 119.950 0.073 0.000 2.359 124 F HA 0.219 4.747 4.527 0.000 0.000 0.370 124 F C -0.224 175.635 175.800 0.100 0.000 1.077 124 F CA -0.916 57.136 58.000 0.087 0.000 1.136 124 F CB 1.142 40.158 39.000 0.025 0.000 1.387 124 F HN 0.404 nan 8.300 nan 0.000 0.468 125 D N 1.826 122.251 120.400 0.041 0.000 2.313 125 D HA 0.146 4.786 4.640 0.000 0.000 0.239 125 D C 0.915 177.202 176.300 -0.022 0.000 1.142 125 D CA 0.057 53.989 54.000 -0.113 0.000 0.847 125 D CB 1.442 41.873 40.800 -0.616 0.000 1.082 125 D HN 0.563 nan 8.370 nan 0.000 0.480 126 T N 0.923 115.552 114.554 0.126 0.000 3.092 126 T HA 0.147 4.497 4.350 0.000 0.000 0.258 126 T C 0.051 174.874 174.700 0.205 0.000 1.031 126 T CA -0.368 61.827 62.100 0.158 0.000 0.925 126 T CB -0.238 68.767 68.868 0.230 0.000 1.036 126 T HN 0.340 nan 8.240 nan 0.000 0.544 127 Y N 1.177 121.504 120.300 0.045 0.000 2.401 127 Y HA 0.533 5.083 4.550 0.000 0.000 0.330 127 Y C -1.227 174.659 175.900 -0.022 0.000 1.071 127 Y CA -1.292 56.815 58.100 0.012 0.000 1.049 127 Y CB 1.834 40.295 38.460 0.002 0.000 1.239 127 Y HN 0.020 nan 8.280 nan 0.000 0.437 128 S N 5.606 120.982 115.700 -0.541 0.000 2.455 128 S HA 0.275 4.745 4.470 0.000 0.000 0.278 128 S C -0.337 173.963 174.600 -0.501 0.000 1.216 128 S CA -0.401 57.549 58.200 -0.417 0.000 1.055 128 S CB -0.114 62.854 63.200 -0.386 0.000 0.939 128 S HN 0.721 nan 8.310 nan 0.000 0.494 129 N N 1.159 119.603 118.700 -0.426 0.000 2.538 129 N HA 0.534 5.274 4.740 0.000 0.000 0.292 129 N C 1.332 176.379 175.510 -0.771 0.000 1.262 129 N CA -0.310 52.320 53.050 -0.700 0.000 0.976 129 N CB 0.247 37.852 38.487 -1.470 0.000 1.161 129 N HN 0.530 nan 8.380 nan 0.000 0.598 130 A N -0.210 122.109 122.820 -0.834 0.000 1.969 130 A HA -0.101 4.219 4.320 0.000 0.000 0.218 130 A C 1.239 178.659 177.584 -0.273 0.000 1.169 130 A CA 1.266 53.055 52.037 -0.412 0.000 0.635 130 A CB -0.817 18.059 19.000 -0.207 0.000 0.810 130 A HN 0.887 nan 8.150 nan 0.000 0.445 131 W N -0.360 120.906 121.300 -0.055 0.000 3.256 131 W HA 0.390 5.050 4.660 0.000 0.000 0.269 131 W C -0.773 175.685 176.519 -0.101 0.000 1.310 131 W CA -0.616 56.690 57.345 -0.065 0.000 1.673 131 W CB -0.333 29.098 29.460 -0.049 0.000 1.115 131 W HN -0.044 nan 8.180 nan 0.000 0.686 132 D N 1.056 121.328 120.400 -0.213 0.000 2.387 132 D HA 0.330 4.970 4.640 0.000 0.000 0.255 132 D C -2.093 174.007 176.300 -0.333 0.000 1.081 132 D CA -1.880 51.989 54.000 -0.218 0.000 0.994 132 D CB 0.834 41.505 40.800 -0.214 0.000 1.127 132 D HN -0.251 nan 8.370 nan 0.000 0.513 133 P HA 0.272 nan 4.420 nan 0.000 0.276 133 P C -0.553 176.373 177.300 -0.625 0.000 1.261 133 P CA -0.378 62.319 63.100 -0.672 0.000 0.800 133 P CB 0.431 31.404 31.700 -1.212 0.000 1.066 134 N N -0.207 118.208 118.700 -0.476 0.000 2.484 134 N HA 0.138 4.878 4.740 0.000 0.000 0.245 134 N C -0.815 174.660 175.510 -0.059 0.000 1.184 134 N CA -0.206 52.714 53.050 -0.217 0.000 0.884 134 N CB -0.684 37.762 38.487 -0.069 0.000 1.182 134 N HN 0.442 nan 8.380 nan 0.000 0.493 135 Y N -4.518 115.757 120.300 -0.042 0.000 2.609 135 Y HA 0.454 5.005 4.550 0.000 0.000 0.336 135 Y C -0.110 175.866 175.900 0.126 0.000 1.129 135 Y CA -1.613 56.488 58.100 0.002 0.000 1.040 135 Y CB 0.344 38.801 38.460 -0.004 0.000 1.310 135 Y HN -0.275 nan 8.280 nan 0.000 0.460 136 T N 3.906 118.583 114.554 0.204 0.000 2.928 136 T HA 0.289 4.639 4.350 0.000 0.000 0.305 136 T C -0.578 174.252 174.700 0.216 0.000 1.035 136 T CA 0.425 62.552 62.100 0.046 0.000 1.145 136 T CB -0.443 68.252 68.868 -0.288 0.000 0.963 136 T HN 0.862 nan 8.240 nan 0.000 0.545 137 H N 0.383 119.579 119.070 0.210 0.000 3.014 137 H HA 0.466 5.023 4.556 0.000 0.000 0.337 137 H C -1.520 174.104 175.328 0.494 0.000 1.320 137 H CA -1.184 55.129 56.048 0.441 0.000 1.128 137 H CB 0.503 30.416 29.762 0.252 0.000 1.862 137 H HN 0.435 nan 8.280 nan 0.000 0.536 138 I N 1.053 121.854 120.570 0.385 0.000 2.359 138 I HA 0.546 4.716 4.170 0.000 0.000 0.294 138 I C 0.510 176.688 176.117 0.102 0.000 0.987 138 I CA -0.280 61.003 61.300 -0.028 0.000 1.225 138 I CB 1.774 39.655 38.000 -0.199 0.000 1.366 138 I HN 0.780 nan 8.210 nan 0.000 0.466 139 G N 6.522 115.337 108.800 0.025 0.000 2.619 139 G HA2 0.670 4.630 3.960 0.000 0.000 0.296 139 G HA3 0.670 4.630 3.960 0.000 0.000 0.296 139 G C -1.040 173.889 174.900 0.050 0.000 1.334 139 G CA -0.474 44.696 45.100 0.118 0.000 0.934 139 G HN 0.411 nan 8.290 nan 0.000 0.476 140 I N 2.092 122.707 120.570 0.075 0.000 2.371 140 I HA 0.210 4.380 4.170 0.000 0.000 0.282 140 I C -0.980 175.193 176.117 0.093 0.000 1.031 140 I CA -0.667 60.685 61.300 0.087 0.000 1.180 140 I CB 1.454 39.508 38.000 0.090 0.000 1.336 140 I HN 0.250 nan 8.210 nan 0.000 0.467 141 D N 4.957 125.427 120.400 0.118 0.000 2.295 141 D HA 0.236 4.876 4.640 0.000 0.000 0.248 141 D C 0.077 176.466 176.300 0.149 0.000 1.154 141 D CA 0.141 54.210 54.000 0.115 0.000 0.857 141 D CB 1.605 42.516 40.800 0.185 0.000 1.117 141 D HN 0.337 nan 8.370 nan 0.000 0.468 142 T N 3.196 117.824 114.554 0.123 0.000 3.154 142 T HA 0.176 4.526 4.350 0.000 0.000 0.381 142 T C 0.294 175.149 174.700 0.260 0.000 1.368 142 T CA -0.608 61.602 62.100 0.185 0.000 1.155 142 T CB -0.014 68.960 68.868 0.176 0.000 1.120 142 T HN 0.274 nan 8.240 nan 0.000 0.570 143 N N 1.274 120.084 118.700 0.184 0.000 2.869 143 N HA -0.119 4.621 4.740 0.000 0.000 0.249 143 N C 0.103 175.515 175.510 -0.164 0.000 1.104 143 N CA 1.417 54.523 53.050 0.093 0.000 0.760 143 N CB -1.119 37.319 38.487 -0.082 0.000 1.108 143 N HN 0.958 nan 8.380 nan 0.000 0.555 144 G N -0.883 107.502 108.800 -0.692 0.000 2.411 144 G HA2 0.439 4.399 3.960 0.000 0.000 0.295 144 G HA3 0.439 4.399 3.960 0.000 0.000 0.295 144 G C 0.356 174.505 174.900 -1.250 0.000 1.542 144 G CA -0.492 43.933 45.100 -1.125 0.000 0.814 144 G HN 0.050 nan 8.290 nan 0.000 0.557 145 I N -0.299 119.611 120.570 -1.099 0.000 3.111 145 I HA 0.195 4.365 4.170 0.000 0.000 0.272 145 I C 1.075 176.949 176.117 -0.404 0.000 1.268 145 I CA 0.558 61.530 61.300 -0.545 0.000 1.467 145 I CB 0.051 37.700 38.000 -0.586 0.000 1.087 145 I HN 0.534 nan 8.210 nan 0.000 0.467 146 E N 0.900 120.874 120.200 -0.377 0.000 1.936 146 E HA 0.175 4.525 4.350 0.000 0.000 0.267 146 E C -0.068 176.471 176.600 -0.102 0.000 1.076 146 E CA -0.269 56.035 56.400 -0.160 0.000 0.870 146 E CB 0.310 29.929 29.700 -0.135 0.000 1.093 146 E HN 0.249 nan 8.360 nan 0.000 0.411 147 S N 3.095 118.787 115.700 -0.013 0.000 2.554 147 S HA -0.098 4.372 4.470 0.000 0.000 0.290 147 S C 1.036 175.625 174.600 -0.019 0.000 1.309 147 S CA 0.049 58.255 58.200 0.009 0.000 1.047 147 S CB 0.922 64.168 63.200 0.077 0.000 0.828 147 S HN 0.561 nan 8.310 nan 0.000 0.509 148 K N 1.629 122.021 120.400 -0.013 0.000 2.296 148 K HA 0.116 4.437 4.320 0.000 0.000 0.200 148 K C 0.459 177.063 176.600 0.008 0.000 1.048 148 K CA 1.016 57.289 56.287 -0.024 0.000 0.966 148 K CB 0.190 32.683 32.500 -0.012 0.000 0.754 148 K HN 0.518 nan 8.250 nan 0.000 0.466 149 K N 0.009 120.429 120.400 0.033 0.000 2.557 149 K HA 0.157 4.477 4.320 0.000 0.000 0.261 149 K C -1.735 174.908 176.600 0.073 0.000 0.932 149 K CA -0.524 55.791 56.287 0.048 0.000 0.829 149 K CB 1.689 34.220 32.500 0.052 0.000 1.358 149 K HN 0.114 nan 8.250 nan 0.000 0.430 150 T N -0.913 113.693 114.554 0.087 0.000 2.883 150 T HA 0.696 5.046 4.350 0.000 0.000 0.296 150 T C -0.629 174.176 174.700 0.174 0.000 1.117 150 T CA -0.618 61.566 62.100 0.139 0.000 1.006 150 T CB 1.736 70.668 68.868 0.107 0.000 1.191 150 T HN 0.626 nan 8.240 nan 0.000 0.508 151 T N -0.880 113.819 114.554 0.242 0.000 2.900 151 T HA 0.752 5.102 4.350 0.000 0.000 0.303 151 T C -3.266 171.666 174.700 0.387 0.000 1.142 151 T CA -1.939 60.322 62.100 0.267 0.000 1.007 151 T CB 1.458 70.450 68.868 0.207 0.000 1.156 151 T HN 0.507 nan 8.240 nan 0.000 0.490 152 P HA 0.583 nan 4.420 nan 0.000 0.274 152 P C -0.985 176.486 177.300 0.285 0.000 1.237 152 P CA -0.395 62.886 63.100 0.302 0.000 0.793 152 P CB 0.145 31.780 31.700 -0.107 0.000 0.977 153 F N -1.308 118.628 119.950 -0.022 0.000 2.688 153 F HA 0.464 4.991 4.527 0.000 0.000 0.308 153 F C -1.770 173.924 175.800 -0.177 0.000 1.117 153 F CA -0.977 56.773 58.000 -0.418 0.000 0.976 153 F CB 1.278 39.833 39.000 -0.742 0.000 1.291 153 F HN 0.031 nan 8.300 nan 0.000 0.439 154 D N 5.452 125.710 120.400 -0.235 0.000 2.329 154 D HA 0.239 4.879 4.640 0.000 0.000 0.232 154 D C 0.156 176.369 176.300 -0.145 0.000 1.088 154 D CA -0.141 53.742 54.000 -0.194 0.000 0.835 154 D CB 1.817 42.622 40.800 0.009 0.000 1.078 154 D HN 0.448 nan 8.370 nan 0.000 0.495 155 M N 1.218 120.627 119.600 -0.320 0.000 2.207 155 M HA 0.126 4.606 4.480 0.000 0.000 0.311 155 M C -0.181 175.888 176.300 -0.385 0.000 1.127 155 M CA -0.026 55.153 55.300 -0.201 0.000 1.181 155 M CB 1.154 33.542 32.600 -0.353 0.000 1.409 155 M HN 0.081 nan 8.290 nan 0.000 0.461 156 V N 3.390 122.930 119.914 -0.624 0.000 2.516 156 V HA 0.216 4.336 4.120 0.000 0.000 0.271 156 V C -1.006 174.898 176.094 -0.318 0.000 0.992 156 V CA -0.854 61.125 62.300 -0.535 0.000 0.857 156 V CB 0.460 31.755 31.823 -0.881 0.000 1.047 156 V HN 0.651 nan 8.190 nan 0.000 0.455 157 Y N 2.328 122.599 120.300 -0.047 0.000 2.597 157 Y HA 0.420 4.970 4.550 0.000 0.000 0.336 157 Y C 1.675 177.584 175.900 0.015 0.000 1.216 157 Y CA 1.966 60.078 58.100 0.021 0.000 1.463 157 Y CB 0.767 39.233 38.460 0.010 0.000 1.303 157 Y HN 0.854 nan 8.280 nan 0.000 0.576 158 G N 1.386 110.292 108.800 0.176 0.000 2.253 158 G HA2 -0.313 3.647 3.960 0.000 0.000 0.251 158 G HA3 -0.313 3.647 3.960 0.000 0.000 0.251 158 G C 0.105 175.054 174.900 0.081 0.000 0.998 158 G CA 0.182 45.349 45.100 0.113 0.000 0.621 158 G HN 0.621 nan 8.290 nan 0.000 0.524 159 E N 0.954 121.197 120.200 0.073 0.000 2.175 159 E HA 0.495 4.845 4.350 0.000 0.000 0.278 159 E C 0.486 177.153 176.600 0.111 0.000 0.969 159 E CA -0.807 55.645 56.400 0.086 0.000 0.796 159 E CB 0.529 30.273 29.700 0.074 0.000 1.104 159 E HN 0.360 nan 8.360 nan 0.000 0.395 160 K N 3.099 123.525 120.400 0.044 0.000 2.416 160 K HA 0.270 4.590 4.320 0.000 0.000 0.283 160 K C -1.015 175.487 176.600 -0.164 0.000 1.037 160 K CA -0.163 56.090 56.287 -0.056 0.000 0.995 160 K CB 0.775 33.257 32.500 -0.030 0.000 0.938 160 K HN 0.409 nan 8.250 nan 0.000 0.475 161 A N 4.266 126.787 122.820 -0.498 0.000 2.311 161 A HA 0.451 4.771 4.320 0.000 0.000 0.334 161 A C -1.095 176.100 177.584 -0.650 0.000 1.139 161 A CA -1.089 50.488 52.037 -0.766 0.000 0.830 161 A CB 0.831 18.965 19.000 -1.443 0.000 1.234 161 A HN 0.872 nan 8.150 nan 0.000 0.483 162 N N 1.022 119.398 118.700 -0.541 0.000 2.407 162 N HA 0.518 5.258 4.740 0.000 0.000 0.277 162 N C -1.089 174.146 175.510 -0.458 0.000 0.995 162 N CA -0.317 52.493 53.050 -0.399 0.000 0.903 162 N CB 1.471 39.813 38.487 -0.241 0.000 1.218 162 N HN 0.435 nan 8.380 nan 0.000 0.487 163 I N 1.388 121.621 120.570 -0.562 0.000 2.562 163 I HA 0.496 4.667 4.170 0.000 0.000 0.301 163 I C -0.144 175.726 176.117 -0.410 0.000 1.003 163 I CA -0.938 60.020 61.300 -0.570 0.000 1.127 163 I CB 1.803 39.167 38.000 -1.060 0.000 1.304 163 I HN 0.051 nan 8.210 nan 0.000 0.446 164 V N 6.630 126.414 119.914 -0.216 0.000 2.524 164 V HA 0.454 4.574 4.120 0.000 0.000 0.297 164 V C -0.361 175.702 176.094 -0.052 0.000 1.035 164 V CA -0.368 61.863 62.300 -0.115 0.000 0.867 164 V CB 2.354 34.123 31.823 -0.090 0.000 1.004 164 V HN 0.472 nan 8.190 nan 0.000 0.426 165 I N 4.295 124.854 120.570 -0.019 0.000 2.362 165 I HA 0.567 4.737 4.170 0.000 0.000 0.289 165 I C 0.152 176.247 176.117 -0.037 0.000 0.994 165 I CA -0.155 61.157 61.300 0.020 0.000 1.158 165 I CB 2.206 40.262 38.000 0.093 0.000 1.315 165 I HN 0.675 nan 8.210 nan 0.000 0.451 166 T N 4.727 119.228 114.554 -0.089 0.000 2.824 166 T HA 0.480 4.830 4.350 0.000 0.000 0.282 166 T C -1.273 173.264 174.700 -0.272 0.000 0.993 166 T CA -0.491 61.491 62.100 -0.197 0.000 0.967 166 T CB 0.944 69.717 68.868 -0.157 0.000 0.960 166 T HN 0.398 nan 8.240 nan 0.000 0.441 167 Y N 3.361 123.251 120.300 -0.683 0.000 2.341 167 Y HA 0.519 5.069 4.550 0.000 0.000 0.337 167 Y C -0.045 175.639 175.900 -0.360 0.000 1.014 167 Y CA -0.682 57.053 58.100 -0.609 0.000 1.111 167 Y CB 1.566 39.391 38.460 -1.059 0.000 1.194 167 Y HN 0.816 nan 8.280 nan 0.000 0.462 168 Q N 5.273 124.641 119.800 -0.721 0.000 2.325 168 Q HA 0.534 4.874 4.340 0.000 0.000 0.270 168 Q C -0.374 175.320 176.000 -0.509 0.000 1.020 168 Q CA -0.205 55.330 55.803 -0.446 0.000 0.785 168 Q CB 1.922 30.478 28.738 -0.302 0.000 1.259 168 Q HN 0.987 nan 8.270 nan 0.000 0.452 169 A N 2.928 125.614 122.820 -0.223 0.000 1.877 169 A HA -0.198 4.122 4.320 0.000 0.000 0.216 169 A C 1.882 179.407 177.584 -0.097 0.000 1.186 169 A CA 2.220 54.206 52.037 -0.085 0.000 0.620 169 A CB -0.709 18.308 19.000 0.029 0.000 0.822 169 A HN 0.881 nan 8.150 nan 0.000 0.443 170 S N -0.101 115.542 115.700 -0.095 0.000 2.383 170 S HA -0.175 4.295 4.470 0.000 0.000 0.229 170 S C 1.750 176.298 174.600 -0.086 0.000 1.030 170 S CA 1.977 60.134 58.200 -0.072 0.000 1.002 170 S CB -1.046 62.117 63.200 -0.062 0.000 0.829 170 S HN 0.864 nan 8.310 nan 0.000 0.467 171 T N -1.741 112.732 114.554 -0.136 0.000 3.023 171 T HA 0.346 4.696 4.350 0.000 0.000 0.253 171 T C 0.295 174.903 174.700 -0.154 0.000 1.038 171 T CA -0.236 61.789 62.100 -0.125 0.000 0.962 171 T CB -0.444 68.348 68.868 -0.127 0.000 1.018 171 T HN 0.380 nan 8.240 nan 0.000 0.521 172 K N 0.821 121.073 120.400 -0.247 0.000 3.096 172 K HA -0.104 4.216 4.320 0.000 0.000 0.266 172 K C -0.040 176.376 176.600 -0.308 0.000 1.043 172 K CA 0.264 56.394 56.287 -0.261 0.000 0.758 172 K CB -2.287 30.207 32.500 -0.010 0.000 1.260 172 K HN 0.662 nan 8.250 nan 0.000 0.481 173 A N 1.110 123.637 122.820 -0.488 0.000 2.274 173 A HA 0.623 4.943 4.320 0.000 0.000 0.309 173 A C -0.258 177.147 177.584 -0.298 0.000 1.226 173 A CA -0.674 51.190 52.037 -0.288 0.000 0.853 173 A CB 0.772 19.649 19.000 -0.205 0.000 1.146 173 A HN 0.329 nan 8.150 nan 0.000 0.518 174 L N 2.819 124.051 121.223 0.014 0.000 2.307 174 L HA 0.777 5.117 4.340 0.000 0.000 0.284 174 L C -0.152 176.755 176.870 0.061 0.000 1.023 174 L CA -0.404 54.530 54.840 0.155 0.000 0.810 174 L CB 1.469 43.712 42.059 0.306 0.000 1.231 174 L HN 0.797 nan 8.230 nan 0.000 0.423 175 A N 4.283 127.120 122.820 0.029 0.000 2.398 175 A HA 0.869 5.189 4.320 0.000 0.000 0.301 175 A C -1.120 176.482 177.584 0.030 0.000 1.041 175 A CA -0.287 51.759 52.037 0.015 0.000 0.711 175 A CB 1.705 20.689 19.000 -0.026 0.000 1.240 175 A HN 0.857 nan 8.150 nan 0.000 0.420 176 A N 1.299 124.145 122.820 0.044 0.000 2.356 176 A HA 0.961 5.281 4.320 0.000 0.000 0.323 176 A C -0.018 177.592 177.584 0.043 0.000 1.119 176 A CA 0.028 52.098 52.037 0.055 0.000 0.790 176 A CB 1.310 20.356 19.000 0.076 0.000 1.273 176 A HN 2.277 nan 8.150 nan 0.000 0.452 177 S N 0.373 116.094 115.700 0.034 0.000 2.536 177 S HA 0.697 5.167 4.470 0.000 0.000 0.271 177 S C -1.391 173.205 174.600 -0.007 0.000 1.134 177 S CA -0.588 57.625 58.200 0.022 0.000 0.897 177 S CB 1.359 64.552 63.200 -0.011 0.000 1.094 177 S HN 1.819 nan 8.310 nan 0.000 0.473 178 L N 2.401 123.627 121.223 0.006 0.000 2.410 178 L HA 0.879 5.219 4.340 0.000 0.000 0.270 178 L C -1.702 175.096 176.870 -0.119 0.000 0.983 178 L CA -0.493 54.280 54.840 -0.112 0.000 0.822 178 L CB 1.946 43.949 42.059 -0.092 0.000 1.285 178 L HN 0.706 nan 8.230 nan 0.000 0.409 179 V N 5.272 125.022 119.914 -0.274 0.000 2.588 179 V HA 0.462 4.582 4.120 0.000 0.000 0.304 179 V C -0.923 174.983 176.094 -0.314 0.000 1.042 179 V CA -0.228 61.954 62.300 -0.196 0.000 0.877 179 V CB 1.725 33.468 31.823 -0.134 0.000 0.996 179 V HN 0.575 nan 8.190 nan 0.000 0.425 180 F N 6.246 126.193 119.950 -0.005 0.000 2.318 180 F HA 0.402 4.929 4.527 -0.000 0.000 0.356 180 F C -1.440 174.344 175.800 -0.026 0.000 1.109 180 F CA -2.321 55.668 58.000 -0.019 0.000 1.234 180 F CB 1.088 40.120 39.000 0.053 0.000 1.545 180 F HN 0.374 nan 8.300 nan 0.000 0.534 181 P HA -0.257 nan 4.420 nan 0.000 0.219 181 P C 1.971 179.300 177.300 0.048 0.000 1.161 181 P CA 1.538 64.660 63.100 0.038 0.000 0.909 181 P CB 0.294 31.995 31.700 0.002 0.000 0.793 182 V N -1.092 118.858 119.914 0.061 0.000 2.379 182 V HA -0.142 3.978 4.120 0.000 0.000 0.245 182 V C 2.238 178.358 176.094 0.043 0.000 1.044 182 V CA 2.150 64.475 62.300 0.042 0.000 1.036 182 V CB -1.200 30.645 31.823 0.037 0.000 0.664 182 V HN 0.135 nan 8.190 nan 0.000 0.453 183 S N -1.145 114.594 115.700 0.065 0.000 2.561 183 S HA -0.050 4.421 4.470 0.000 0.000 0.225 183 S C 0.830 175.463 174.600 0.054 0.000 0.977 183 S CA 0.143 58.370 58.200 0.044 0.000 0.926 183 S CB -0.209 63.002 63.200 0.017 0.000 0.769 183 S HN 0.745 nan 8.310 nan 0.000 0.533 184 Q N 0.978 120.818 119.800 0.066 0.000 2.475 184 Q HA -0.161 4.179 4.340 0.000 0.000 0.280 184 Q C -0.402 175.616 176.000 0.029 0.000 1.234 184 Q CA 0.887 56.713 55.803 0.038 0.000 0.873 184 Q CB -2.510 26.236 28.738 0.013 0.000 1.256 184 Q HN 0.632 nan 8.270 nan 0.000 0.475 185 T N -2.143 112.458 114.554 0.078 0.000 2.856 185 T HA 0.723 5.073 4.350 0.000 0.000 0.283 185 T C -0.050 174.620 174.700 -0.051 0.000 1.008 185 T CA -0.156 61.942 62.100 -0.003 0.000 0.997 185 T CB 2.324 71.230 68.868 0.063 0.000 0.992 185 T HN 0.340 nan 8.240 nan 0.000 0.454 186 S N 1.235 116.739 115.700 -0.327 0.000 2.564 186 S HA 0.798 5.268 4.470 0.000 0.000 0.274 186 S C -1.814 172.468 174.600 -0.529 0.000 1.124 186 S CA -0.946 57.096 58.200 -0.264 0.000 0.869 186 S CB 1.091 64.221 63.200 -0.117 0.000 1.105 186 S HN 0.758 nan 8.310 nan 0.000 0.472 187 Y N -0.308 120.021 120.300 0.050 0.000 2.553 187 Y HA 0.849 5.399 4.550 0.000 0.000 0.347 187 Y C 0.086 176.003 175.900 0.028 0.000 1.019 187 Y CA -0.797 57.343 58.100 0.066 0.000 1.032 187 Y CB 2.311 40.842 38.460 0.118 0.000 1.284 187 Y HN 1.179 nan 8.280 nan 0.000 0.466 188 A N 1.102 124.031 122.820 0.182 0.000 2.549 188 A HA 0.946 5.266 4.320 0.000 0.000 0.297 188 A C -1.857 175.782 177.584 0.093 0.000 1.061 188 A CA -0.782 51.315 52.037 0.100 0.000 0.690 188 A CB 1.380 20.411 19.000 0.051 0.000 1.287 188 A HN 0.692 nan 8.150 nan 0.000 0.402 189 V N -0.631 119.323 119.914 0.066 0.000 3.048 189 V HA 0.904 5.024 4.120 0.000 0.000 0.303 189 V C -0.232 175.889 176.094 0.045 0.000 1.214 189 V CA -0.514 61.822 62.300 0.060 0.000 0.984 189 V CB 1.514 33.375 31.823 0.062 0.000 1.054 189 V HN 1.359 nan 8.190 nan 0.000 0.430 190 S N 0.930 116.655 115.700 0.042 0.000 2.541 190 S HA 0.960 5.430 4.470 0.000 0.000 0.271 190 S C -0.863 173.760 174.600 0.038 0.000 1.133 190 S CA 0.325 58.544 58.200 0.032 0.000 0.876 190 S CB 1.908 65.114 63.200 0.011 0.000 1.105 190 S HN 2.198 nan 8.310 nan 0.000 0.470 191 A N 2.792 125.639 122.820 0.046 0.000 2.606 191 A HA 0.814 5.135 4.320 0.000 0.000 0.293 191 A C -1.220 176.397 177.584 0.055 0.000 1.082 191 A CA -0.822 51.246 52.037 0.051 0.000 0.685 191 A CB 1.497 20.537 19.000 0.067 0.000 1.284 191 A HN 0.804 nan 8.150 nan 0.000 0.408 192 R N 0.178 120.708 120.500 0.050 0.000 2.255 192 R HA 0.619 4.959 4.340 0.000 0.000 0.326 192 R C -1.594 174.760 176.300 0.091 0.000 0.986 192 R CA -0.211 55.919 56.100 0.049 0.000 0.847 192 R CB 1.386 31.699 30.300 0.021 0.000 1.111 192 R HN 0.830 nan 8.270 nan 0.000 0.452 193 V N 4.386 124.390 119.914 0.150 0.000 2.697 193 V HA 0.194 4.314 4.120 0.000 0.000 0.300 193 V C -1.587 174.644 176.094 0.228 0.000 1.115 193 V CA -0.845 61.558 62.300 0.172 0.000 0.912 193 V CB 2.018 33.950 31.823 0.181 0.000 1.024 193 V HN 0.783 nan 8.190 nan 0.000 0.431 194 D N 5.591 126.079 120.400 0.146 0.000 2.352 194 D HA 0.250 4.890 4.640 0.000 0.000 0.245 194 D C 1.148 177.495 176.300 0.078 0.000 1.224 194 D CA -0.011 54.064 54.000 0.125 0.000 0.879 194 D CB 1.275 42.112 40.800 0.061 0.000 1.057 194 D HN 0.607 nan 8.370 nan 0.000 0.491 195 L N 3.414 124.681 121.223 0.073 0.000 2.456 195 L HA -0.037 4.303 4.340 0.000 0.000 0.224 195 L C 2.300 179.104 176.870 -0.109 0.000 1.148 195 L CA 0.389 55.227 54.840 -0.002 0.000 0.825 195 L CB -0.088 41.939 42.059 -0.054 0.000 0.937 195 L HN 0.274 nan 8.230 nan 0.000 0.450 196 R N 0.171 120.524 120.500 -0.245 0.000 2.120 196 R HA -0.141 4.199 4.340 0.000 0.000 0.234 196 R C 1.502 177.672 176.300 -0.216 0.000 1.123 196 R CA 1.350 57.129 56.100 -0.536 0.000 0.975 196 R CB -0.171 29.883 30.300 -0.410 0.000 0.866 196 R HN 0.367 nan 8.270 nan 0.000 0.446 197 D N -0.285 120.070 120.400 -0.075 0.000 2.323 197 D HA -0.031 4.609 4.640 0.000 0.000 0.209 197 D C 1.499 177.817 176.300 0.029 0.000 0.973 197 D CA 0.785 54.780 54.000 -0.008 0.000 0.874 197 D CB 0.331 41.140 40.800 0.015 0.000 0.930 197 D HN 0.174 nan 8.370 nan 0.000 0.521 198 I N -0.069 120.526 120.570 0.042 0.000 3.194 198 I HA 0.113 4.283 4.170 0.000 0.000 0.271 198 I C 1.081 177.258 176.117 0.100 0.000 1.150 198 I CA 0.373 61.718 61.300 0.076 0.000 1.440 198 I CB -0.438 37.616 38.000 0.089 0.000 1.276 198 I HN -0.156 nan 8.210 nan 0.000 0.457 199 L N 1.930 123.228 121.223 0.125 0.000 2.344 199 L HA 0.401 4.742 4.340 0.000 0.000 0.272 199 L C -2.280 174.747 176.870 0.261 0.000 1.035 199 L CA -1.646 53.292 54.840 0.164 0.000 0.807 199 L CB 1.139 43.292 42.059 0.157 0.000 1.237 199 L HN -0.100 nan 8.230 nan 0.000 0.442 200 P HA 0.146 nan 4.420 nan 0.000 0.277 200 P C 0.150 177.423 177.300 -0.045 0.000 1.271 200 P CA -0.474 62.704 63.100 0.129 0.000 0.795 200 P CB 0.721 32.471 31.700 0.084 0.000 1.101 201 E N -0.969 119.094 120.200 -0.227 0.000 2.085 201 E HA -0.167 4.183 4.350 0.000 0.000 0.194 201 E C -0.157 176.207 176.600 -0.393 0.000 0.994 201 E CA 1.521 57.603 56.400 -0.530 0.000 0.801 201 E CB -0.163 29.362 29.700 -0.292 0.000 0.743 201 E HN 0.453 nan 8.360 nan 0.000 0.453 202 Y N -0.616 119.637 120.300 -0.077 0.000 2.376 202 Y HA 0.344 4.895 4.550 0.000 0.000 0.340 202 Y C -0.096 175.782 175.900 -0.038 0.000 0.965 202 Y CA -1.081 56.991 58.100 -0.047 0.000 1.078 202 Y CB 1.802 40.198 38.460 -0.107 0.000 1.193 202 Y HN -0.248 nan 8.280 nan 0.000 0.452 203 V N 0.295 120.266 119.914 0.096 0.000 3.130 203 V HA 0.715 4.835 4.120 0.000 0.000 0.310 203 V C -0.796 175.277 176.094 -0.036 0.000 1.158 203 V CA -1.432 60.876 62.300 0.014 0.000 1.029 203 V CB 2.310 34.117 31.823 -0.026 0.000 1.057 203 V HN 0.753 nan 8.190 nan 0.000 0.436 204 R N 0.585 121.023 120.500 -0.104 0.000 2.643 204 R HA 0.868 5.208 4.340 0.000 0.000 0.272 204 R C -0.867 175.238 176.300 -0.324 0.000 0.995 204 R CA -0.534 55.467 56.100 -0.165 0.000 1.032 204 R CB 2.116 32.323 30.300 -0.155 0.000 1.126 204 R HN 0.977 nan 8.270 nan 0.000 0.505 205 V N -1.668 118.048 119.914 -0.331 0.000 2.864 205 V HA 1.015 5.136 4.120 0.000 0.000 0.314 205 V C 0.028 175.798 176.094 -0.540 0.000 1.073 205 V CA -0.391 61.590 62.300 -0.531 0.000 0.956 205 V CB 1.714 33.336 31.823 -0.336 0.000 1.023 205 V HN 0.968 nan 8.190 nan 0.000 0.435 206 G N 1.331 109.476 108.800 -1.091 0.000 2.325 206 G HA2 0.547 4.507 3.960 0.000 0.000 0.295 206 G HA3 0.547 4.507 3.960 0.000 0.000 0.295 206 G C -1.978 172.216 174.900 -1.177 0.000 1.274 206 G CA -0.718 43.736 45.100 -1.076 0.000 0.857 206 G HN 0.802 nan 8.290 nan 0.000 0.499 207 F N 0.068 119.809 119.950 -0.348 0.000 2.546 207 F HA 0.835 5.363 4.527 0.000 0.000 0.320 207 F C 0.537 176.358 175.800 0.034 0.000 1.076 207 F CA -0.850 57.060 58.000 -0.150 0.000 0.928 207 F CB 2.679 41.473 39.000 -0.344 0.000 1.189 207 F HN 0.501 nan 8.300 nan 0.000 0.465 208 S N 1.094 116.909 115.700 0.192 0.000 2.549 208 S HA 0.929 5.399 4.470 0.000 0.000 0.280 208 S C -1.342 173.200 174.600 -0.096 0.000 1.109 208 S CA -0.341 57.849 58.200 -0.017 0.000 0.905 208 S CB 1.498 64.561 63.200 -0.229 0.000 1.081 208 S HN 1.023 nan 8.310 nan 0.000 0.477 209 A N 2.054 124.770 122.820 -0.174 0.000 2.604 209 A HA 0.866 5.186 4.320 0.000 0.000 0.295 209 A C -0.627 176.745 177.584 -0.353 0.000 1.067 209 A CA -0.598 51.236 52.037 -0.338 0.000 0.683 209 A CB 1.458 20.164 19.000 -0.489 0.000 1.281 209 A HN 1.115 nan 8.150 nan 0.000 0.407 210 T N -1.102 113.203 114.554 -0.416 0.000 2.903 210 T HA 0.800 5.150 4.350 0.000 0.000 0.299 210 T C 0.066 174.678 174.700 -0.147 0.000 1.093 210 T CA -0.018 61.950 62.100 -0.221 0.000 1.002 210 T CB 1.290 70.096 68.868 -0.103 0.000 1.127 210 T HN 1.398 nan 8.240 nan 0.000 0.488 211 T N -0.535 114.009 114.554 -0.016 0.000 2.884 211 T HA 0.709 5.059 4.350 0.000 0.000 0.277 211 T C 0.940 175.641 174.700 0.000 0.000 0.976 211 T CA -0.565 61.580 62.100 0.074 0.000 0.956 211 T CB 0.474 69.388 68.868 0.076 0.000 1.113 211 T HN 1.053 nan 8.240 nan 0.000 0.554 212 G N -0.338 108.450 108.800 -0.020 0.000 2.491 212 G HA2 0.384 4.344 3.960 0.000 0.000 0.242 212 G HA3 0.384 4.344 3.960 0.000 0.000 0.242 212 G C 0.697 175.550 174.900 -0.079 0.000 1.266 212 G CA -0.768 44.271 45.100 -0.102 0.000 0.844 212 G HN 0.789 nan 8.290 nan 0.000 0.571 213 L N 0.979 122.138 121.223 -0.106 0.000 2.376 213 L HA 0.027 4.368 4.340 0.000 0.000 0.219 213 L C 0.797 177.637 176.870 -0.050 0.000 1.133 213 L CA 0.562 55.366 54.840 -0.061 0.000 0.816 213 L CB -0.275 41.753 42.059 -0.051 0.000 0.933 213 L HN 0.449 nan 8.230 nan 0.000 0.449 214 N N -0.586 118.075 118.700 -0.065 0.000 2.370 214 N HA 0.470 5.210 4.740 0.000 0.000 0.303 214 N C -0.190 175.302 175.510 -0.029 0.000 1.103 214 N CA -0.389 52.637 53.050 -0.040 0.000 0.848 214 N CB 1.499 39.963 38.487 -0.038 0.000 1.235 214 N HN -0.002 nan 8.380 nan 0.000 0.496 215 A N 0.852 123.661 122.820 -0.018 0.000 2.567 215 A HA 0.391 4.711 4.320 0.000 0.000 0.240 215 A C 1.435 179.011 177.584 -0.014 0.000 1.053 215 A CA 0.834 52.863 52.037 -0.014 0.000 0.755 215 A CB -0.912 18.083 19.000 -0.009 0.000 0.978 215 A HN 1.028 nan 8.150 nan 0.000 0.507 216 G N 0.665 109.457 108.800 -0.014 0.000 2.162 216 G HA2 -0.165 3.795 3.960 0.000 0.000 0.260 216 G HA3 -0.165 3.795 3.960 0.000 0.000 0.260 216 G C 0.210 175.100 174.900 -0.017 0.000 0.976 216 G CA 0.327 45.417 45.100 -0.016 0.000 0.655 216 G HN 1.589 nan 8.290 nan 0.000 0.533 217 V N 0.576 120.478 119.914 -0.019 0.000 2.435 217 V HA 0.648 4.768 4.120 0.000 0.000 0.263 217 V C 0.271 176.355 176.094 -0.016 0.000 1.087 217 V CA -0.056 62.234 62.300 -0.016 0.000 1.253 217 V CB 1.011 32.816 31.823 -0.031 0.000 1.462 217 V HN 0.364 nan 8.190 nan 0.000 0.547 218 V N 1.969 121.876 119.914 -0.011 0.000 3.160 218 V HA 0.847 4.967 4.120 0.000 0.000 0.310 218 V C -1.342 174.745 176.094 -0.012 0.000 1.181 218 V CA -0.320 61.983 62.300 0.006 0.000 1.047 218 V CB 2.736 34.560 31.823 0.001 0.000 1.068 218 V HN 0.847 nan 8.190 nan 0.000 0.441 219 E N 0.630 120.829 120.200 -0.002 0.000 2.389 219 E HA 0.349 4.699 4.350 0.000 0.000 0.281 219 E C -1.368 175.129 176.600 -0.172 0.000 1.072 219 E CA -0.511 55.843 56.400 -0.077 0.000 0.845 219 E CB 1.678 31.347 29.700 -0.052 0.000 1.239 219 E HN 0.739 nan 8.360 nan 0.000 0.434 220 T N -0.496 113.966 114.554 -0.153 0.000 2.816 220 T HA 0.360 4.710 4.350 0.000 0.000 0.282 220 T C -0.088 174.372 174.700 -0.400 0.000 0.993 220 T CA -0.390 61.633 62.100 -0.128 0.000 0.994 220 T CB 0.577 69.436 68.868 -0.015 0.000 1.025 220 T HN 0.541 nan 8.240 nan 0.000 0.529 221 H N 1.018 120.098 119.070 0.017 0.000 2.651 221 H HA 0.283 4.839 4.556 0.000 0.000 0.252 221 H C -1.250 174.047 175.328 -0.052 0.000 1.365 221 H CA -0.736 55.294 56.048 -0.031 0.000 1.539 221 H CB 0.489 30.211 29.762 -0.067 0.000 1.621 221 H HN 0.626 nan 8.280 nan 0.000 0.526 222 D N 2.696 123.137 120.400 0.069 0.000 2.168 222 D HA 0.269 4.909 4.640 0.000 0.000 0.246 222 D C 0.554 176.871 176.300 0.027 0.000 1.050 222 D CA -0.481 53.540 54.000 0.035 0.000 0.857 222 D CB 2.167 43.006 40.800 0.065 0.000 1.169 222 D HN 0.293 nan 8.370 nan 0.000 0.453 223 I N 2.226 122.747 120.570 -0.082 0.000 2.359 223 I HA 0.113 4.284 4.170 0.000 0.000 0.294 223 I C 1.204 177.418 176.117 0.161 0.000 0.987 223 I CA -0.509 60.742 61.300 -0.081 0.000 1.225 223 I CB 1.589 39.314 38.000 -0.458 0.000 1.366 223 I HN 0.188 nan 8.210 nan 0.000 0.466 224 V N 3.768 123.831 119.914 0.249 0.000 2.922 224 V HA 0.118 4.238 4.120 0.000 0.000 0.242 224 V C 0.675 176.970 176.094 0.334 0.000 1.094 224 V CA 0.666 63.134 62.300 0.279 0.000 1.106 224 V CB 0.303 32.225 31.823 0.164 0.000 0.799 224 V HN 0.877 nan 8.190 nan 0.000 0.474 225 S N -1.626 114.296 115.700 0.370 0.000 2.547 225 S HA 0.634 5.104 4.470 0.000 0.000 0.270 225 S C -2.132 172.823 174.600 0.591 0.000 1.150 225 S CA -0.599 57.802 58.200 0.335 0.000 0.850 225 S CB 2.672 65.998 63.200 0.209 0.000 1.118 225 S HN 0.299 nan 8.310 nan 0.000 0.461 226 W N 1.750 123.284 121.300 0.390 0.000 3.573 226 W HA 0.727 5.387 4.660 -0.000 0.000 0.306 226 W C -1.540 175.254 176.519 0.458 0.000 1.227 226 W CA -0.322 57.363 57.345 0.567 0.000 1.212 226 W CB 1.653 31.603 29.460 0.817 0.000 1.331 226 W HN 1.128 nan 8.180 nan 0.000 0.524 227 S N 5.805 121.726 115.700 0.369 0.000 2.540 227 S HA 0.857 5.327 4.470 0.000 0.000 0.275 227 S C -2.085 172.405 174.600 -0.184 0.000 1.123 227 S CA -0.399 57.776 58.200 -0.043 0.000 0.907 227 S CB 0.917 64.139 63.200 0.036 0.000 1.081 227 S HN 0.533 nan 8.310 nan 0.000 0.476 228 F N 2.630 122.123 119.950 -0.761 0.000 2.596 228 F HA 0.758 5.285 4.527 0.000 0.000 0.311 228 F C -1.130 174.285 175.800 -0.642 0.000 1.116 228 F CA -0.065 57.477 58.000 -0.763 0.000 0.957 228 F CB 1.785 39.995 39.000 -1.316 0.000 1.250 228 F HN 0.894 nan 8.300 nan 0.000 0.444 229 A N 4.738 127.077 122.820 -0.802 0.000 2.459 229 A HA 0.796 5.116 4.320 0.000 0.000 0.296 229 A C -2.075 175.280 177.584 -0.381 0.000 1.039 229 A CA -0.626 51.165 52.037 -0.411 0.000 0.698 229 A CB 1.404 20.257 19.000 -0.244 0.000 1.261 229 A HN 0.881 nan 8.150 nan 0.000 0.405 230 V N -0.037 119.840 119.914 -0.062 0.000 2.914 230 V HA 0.915 5.035 4.120 0.000 0.000 0.314 230 V C 0.046 176.186 176.094 0.076 0.000 1.084 230 V CA -0.788 61.555 62.300 0.071 0.000 0.963 230 V CB 2.009 33.978 31.823 0.244 0.000 1.025 230 V HN 0.862 nan 8.190 nan 0.000 0.432 231 S N 2.313 118.062 115.700 0.081 0.000 2.614 231 S HA 0.652 5.122 4.470 0.000 0.000 0.275 231 S C -1.149 173.482 174.600 0.053 0.000 1.161 231 S CA -0.338 57.894 58.200 0.053 0.000 0.969 231 S CB 1.614 64.829 63.200 0.025 0.000 1.059 231 S HN 0.793 nan 8.310 nan 0.000 0.482 232 L N 4.138 125.379 121.223 0.030 0.000 2.366 232 L HA 0.797 5.137 4.340 0.000 0.000 0.266 232 L C 0.256 177.125 176.870 -0.002 0.000 1.010 232 L CA -0.072 54.766 54.840 -0.004 0.000 0.879 232 L CB 0.429 42.438 42.059 -0.084 0.000 1.228 232 L HN 0.765 nan 8.230 nan 0.000 0.439 233 A N 0.000 122.824 122.820 0.006 0.000 2.254 233 A HA 0.000 4.320 4.320 0.000 0.000 0.244 233 A CA 0.000 52.041 52.037 0.007 0.000 0.836 233 A CB 0.000 19.003 19.000 0.006 0.000 0.831 233 A HN 0.000 nan 8.150 nan 0.000 0.486