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 3hp0_1_D DATA FIRST_RESID 5 DATA SEQUENCE TYQTIKVRFQ ASVCYITFHR PEANNTINDT LIEECLQVLN QCETSTVTVV DATA SEQUENCE VLEGLPEVFC FGADFQEIYQ EXKRGRKQAS SQEPLYDLWX KLQTGPYVTI DATA SEQUENCE SHVRGKVNAG GLGFVSATDI AIADQTASFS LSELLFGLYP ACVLPFLIRR DATA SEQUENCE IGRQKAHYXT LXTKPISVQE ASEWGLIDAF DAESDVLLRK HLLRLRRLNK DATA SEQUENCE KGIAHYKQFX SSLDHQVSRA KATALTANQD XFSDPQNQXG IIRYVETGQF DATA SEQUENCE P VARS RESID RESNAME ATOMNAME SS_SHIFT SHIFT RC_SHIFT HM_SHIFT EF_SHIFT SIGMA FORMAT %4d %4s %4s %9.3f %9.3f %9.3f %9.3f %9.3f %9.3f 5 T HA 0.000 nan 4.350 nan 0.000 0.228 5 T C 0.000 174.402 174.700 -0.497 0.000 1.109 5 T CA 0.000 61.910 62.100 -0.316 0.000 1.349 5 T CB 0.000 68.795 68.868 -0.122 0.000 0.612 6 Y N 0.783 121.095 120.300 0.019 0.000 2.845 6 Y HA 0.460 5.010 4.550 0.000 0.000 0.144 6 Y C 1.844 177.761 175.900 0.029 0.000 0.890 6 Y CA 0.952 59.066 58.100 0.024 0.000 1.725 6 Y CB 0.154 38.627 38.460 0.021 0.000 1.172 6 Y HN 0.821 nan 8.280 nan 0.000 0.385 7 Q N -1.056 118.887 119.800 0.238 0.000 3.889 7 Q HA -0.102 4.238 4.340 0.000 0.000 0.210 7 Q C -0.059 176.027 176.000 0.144 0.000 0.677 7 Q CA 0.797 56.690 55.803 0.150 0.000 1.269 7 Q CB -1.747 27.055 28.738 0.106 0.000 0.638 7 Q HN 0.646 nan 8.270 nan 0.000 1.171 8 T N -1.390 113.255 114.554 0.151 0.000 3.073 8 T HA 0.503 4.853 4.350 0.000 0.000 0.264 8 T C 0.522 175.294 174.700 0.120 0.000 0.893 8 T CA 0.481 62.655 62.100 0.123 0.000 0.863 8 T CB 0.061 68.989 68.868 0.100 0.000 1.247 8 T HN 0.548 nan 8.240 nan 0.000 0.546 9 I N -1.570 119.040 120.570 0.067 0.000 2.865 9 I HA 0.725 4.895 4.170 0.000 0.000 0.302 9 I C -1.699 174.385 176.117 -0.055 0.000 1.140 9 I CA -1.516 59.754 61.300 -0.050 0.000 1.021 9 I CB 2.583 40.447 38.000 -0.227 0.000 1.233 9 I HN -0.229 nan 8.210 nan 0.000 0.427 10 K N 3.871 124.205 120.400 -0.109 0.000 2.425 10 K HA 0.599 4.919 4.320 0.000 0.000 0.259 10 K C -1.197 175.334 176.600 -0.115 0.000 0.978 10 K CA -0.683 55.554 56.287 -0.082 0.000 0.883 10 K CB 2.320 34.735 32.500 -0.141 0.000 1.110 10 K HN 0.441 nan 8.250 nan 0.000 0.436 11 V N 3.875 123.760 119.914 -0.049 0.000 2.481 11 V HA 0.458 4.579 4.120 0.000 0.000 0.286 11 V C 0.056 176.141 176.094 -0.015 0.000 1.042 11 V CA -0.645 61.599 62.300 -0.093 0.000 0.928 11 V CB 1.147 32.950 31.823 -0.034 0.000 0.986 11 V HN 0.757 nan 8.190 nan 0.000 0.462 12 R N 4.335 124.777 120.500 -0.098 0.000 2.518 12 R HA 0.390 4.730 4.340 0.000 0.000 0.287 12 R C -2.146 174.147 176.300 -0.011 0.000 1.135 12 R CA -0.493 55.620 56.100 0.021 0.000 0.967 12 R CB 1.070 31.380 30.300 0.017 0.000 1.212 12 R HN 0.456 nan 8.270 nan 0.000 0.422 13 F N 1.979 121.986 119.950 0.096 0.000 2.375 13 F HA 0.393 4.920 4.527 0.000 0.000 0.333 13 F C 0.625 176.497 175.800 0.121 0.000 1.104 13 F CA -0.055 57.999 58.000 0.090 0.000 1.149 13 F CB 1.511 40.538 39.000 0.045 0.000 1.190 13 F HN 0.384 nan 8.300 nan 0.000 0.533 14 Q N 2.195 122.171 119.800 0.294 0.000 2.709 14 Q HA 0.502 4.842 4.340 0.000 0.000 0.232 14 Q C -0.095 176.009 176.000 0.173 0.000 0.856 14 Q CA -0.130 55.812 55.803 0.233 0.000 0.788 14 Q CB 1.723 30.646 28.738 0.308 0.000 1.386 14 Q HN 0.963 nan 8.270 nan 0.000 0.453 15 A N 1.014 123.918 122.820 0.141 0.000 5.457 15 A HA -0.291 4.029 4.320 0.000 0.000 0.283 15 A C 0.850 178.500 177.584 0.110 0.000 2.087 15 A CA 1.325 53.423 52.037 0.101 0.000 0.716 15 A CB -1.987 17.062 19.000 0.081 0.000 1.174 15 A HN 1.086 nan 8.150 nan 0.000 0.356 16 S N -0.653 115.094 115.700 0.078 0.000 2.650 16 S HA 0.446 4.916 4.470 0.000 0.000 0.219 16 S C 0.275 174.903 174.600 0.047 0.000 0.960 16 S CA 0.630 58.874 58.200 0.074 0.000 0.925 16 S CB -0.471 62.761 63.200 0.054 0.000 0.775 16 S HN 1.585 nan 8.310 nan 0.000 0.525 17 V N 1.380 121.302 119.914 0.012 0.000 2.483 17 V HA 0.457 4.577 4.120 0.000 0.000 0.295 17 V C 0.045 175.998 176.094 -0.235 0.000 1.035 17 V CA -1.219 60.985 62.300 -0.160 0.000 0.896 17 V CB 1.101 32.748 31.823 -0.295 0.000 0.986 17 V HN 0.533 nan 8.190 nan 0.000 0.447 18 C N 6.222 125.276 119.300 -0.410 0.000 2.281 18 C HA 0.654 5.115 4.460 0.000 0.000 0.323 18 C C -0.651 173.977 174.990 -0.604 0.000 1.270 18 C CA -0.674 57.971 59.018 -0.622 0.000 1.559 18 C CB -0.630 26.703 27.740 -0.678 0.000 2.239 18 C HN 0.785 nan 8.230 nan 0.000 0.488 19 Y N 6.319 126.390 120.300 -0.382 0.000 2.404 19 Y HA 0.543 5.093 4.550 0.000 0.000 0.344 19 Y C 0.642 176.340 175.900 -0.337 0.000 0.970 19 Y CA -0.359 57.575 58.100 -0.276 0.000 1.180 19 Y CB 0.545 38.899 38.460 -0.177 0.000 1.138 19 Y HN 0.515 nan 8.280 nan 0.000 0.510 20 I N 3.778 124.201 120.570 -0.246 0.000 2.321 20 I HA 0.286 4.456 4.170 0.000 0.000 0.291 20 I C -0.294 175.548 176.117 -0.459 0.000 0.998 20 I CA -0.336 60.738 61.300 -0.377 0.000 1.227 20 I CB 1.344 39.071 38.000 -0.455 0.000 1.368 20 I HN 0.509 nan 8.210 nan 0.000 0.466 21 T N 6.426 120.740 114.554 -0.399 0.000 2.791 21 T HA 0.422 4.772 4.350 0.000 0.000 0.288 21 T C -0.266 174.233 174.700 -0.334 0.000 0.999 21 T CA -0.419 61.462 62.100 -0.364 0.000 0.952 21 T CB 0.325 69.093 68.868 -0.166 0.000 0.938 21 T HN 0.065 nan 8.240 nan 0.000 0.444 22 F N 3.149 122.976 119.950 -0.204 0.000 2.533 22 F HA 0.207 4.734 4.527 0.000 0.000 0.378 22 F C 1.004 176.769 175.800 -0.059 0.000 1.070 22 F CA -0.379 57.497 58.000 -0.207 0.000 1.172 22 F CB -0.074 38.695 39.000 -0.385 0.000 1.085 22 F HN 0.582 nan 8.300 nan 0.000 0.552 23 H N 4.321 123.418 119.070 0.044 0.000 2.791 23 H HA 0.493 5.049 4.556 0.000 0.000 0.272 23 H C -0.584 174.755 175.328 0.018 0.000 1.188 23 H CA -0.664 55.392 56.048 0.013 0.000 1.436 23 H CB 0.317 30.078 29.762 -0.003 0.000 1.467 23 H HN 0.533 nan 8.280 nan 0.000 0.500 24 R N 5.482 125.852 120.500 -0.217 0.000 2.627 24 R HA 0.119 4.459 4.340 0.000 0.000 0.251 24 R C -2.369 173.805 176.300 -0.210 0.000 1.524 24 R CA -1.238 54.758 56.100 -0.174 0.000 1.606 24 R CB 1.046 31.307 30.300 -0.064 0.000 1.396 24 R HN 0.493 nan 8.270 nan 0.000 0.724 25 P HA -0.187 nan 4.420 nan 0.000 0.217 25 P C 0.567 177.779 177.300 -0.146 0.000 1.148 25 P CA 1.364 64.326 63.100 -0.230 0.000 0.828 25 P CB 0.489 32.030 31.700 -0.265 0.000 0.783 26 E N -0.572 119.553 120.200 -0.125 0.000 2.371 26 E HA 0.094 4.444 4.350 0.000 0.000 0.194 26 E C 1.721 178.276 176.600 -0.076 0.000 1.012 26 E CA 0.618 56.967 56.400 -0.085 0.000 0.860 26 E CB -0.215 29.448 29.700 -0.062 0.000 0.811 26 E HN 0.292 nan 8.360 nan 0.000 0.502 27 A N 0.744 123.517 122.820 -0.078 0.000 2.470 27 A HA 0.094 4.414 4.320 0.000 0.000 0.251 27 A C 0.524 178.062 177.584 -0.076 0.000 1.245 27 A CA -0.260 51.743 52.037 -0.056 0.000 0.932 27 A CB -0.305 18.678 19.000 -0.027 0.000 1.037 27 A HN 0.236 nan 8.150 nan 0.000 0.522 28 N N 0.757 119.389 118.700 -0.114 0.000 2.696 28 N HA -0.209 4.531 4.740 0.000 0.000 0.256 28 N C -0.742 174.714 175.510 -0.090 0.000 1.031 28 N CA 0.700 53.658 53.050 -0.153 0.000 0.730 28 N CB -0.964 37.359 38.487 -0.274 0.000 0.894 28 N HN 0.497 nan 8.380 nan 0.000 0.544 29 N N -0.266 118.390 118.700 -0.073 0.000 2.701 29 N HA -0.192 4.548 4.740 0.000 0.000 0.252 29 N C -0.298 175.193 175.510 -0.031 0.000 1.002 29 N CA 1.738 54.749 53.050 -0.065 0.000 0.758 29 N CB -0.932 37.509 38.487 -0.077 0.000 0.937 29 N HN 0.636 nan 8.380 nan 0.000 0.538 30 T N -2.576 111.987 114.554 0.015 0.000 2.904 30 T HA 0.513 4.863 4.350 0.000 0.000 0.290 30 T C 0.813 175.535 174.700 0.037 0.000 1.018 30 T CA -0.845 61.303 62.100 0.080 0.000 1.075 30 T CB 1.357 70.290 68.868 0.108 0.000 0.986 30 T HN 0.185 nan 8.240 nan 0.000 0.523 31 I N 3.189 123.803 120.570 0.074 0.000 2.517 31 I HA 0.099 4.269 4.170 0.000 0.000 0.285 31 I C 1.389 177.537 176.117 0.051 0.000 1.106 31 I CA -0.165 61.176 61.300 0.069 0.000 1.402 31 I CB 0.453 38.537 38.000 0.140 0.000 1.399 31 I HN 0.780 nan 8.210 nan 0.000 0.535 32 N N 4.510 123.232 118.700 0.037 0.000 2.171 32 N HA -0.042 4.698 4.740 0.000 0.000 0.209 32 N C 0.909 176.425 175.510 0.010 0.000 1.036 32 N CA 1.286 54.351 53.050 0.025 0.000 1.042 32 N CB 0.300 38.806 38.487 0.032 0.000 1.280 32 N HN 0.757 nan 8.380 nan 0.000 0.548 33 D N -4.217 116.193 120.400 0.017 0.000 1.294 33 D HA -0.049 4.591 4.640 0.000 0.000 0.844 33 D C 0.714 177.026 176.300 0.021 0.000 0.420 33 D CA 0.408 54.409 54.000 0.002 0.000 1.370 33 D CB -0.628 40.163 40.800 -0.015 0.000 0.992 33 D HN 0.348 nan 8.370 nan 0.000 0.399 34 T N 2.383 116.957 114.554 0.034 0.000 2.942 34 T HA 0.018 4.368 4.350 0.000 0.000 0.265 34 T C 1.834 176.577 174.700 0.070 0.000 1.062 34 T CA 0.411 62.542 62.100 0.052 0.000 1.139 34 T CB 0.112 69.013 68.868 0.056 0.000 0.883 34 T HN 0.141 nan 8.240 nan 0.000 0.468 35 L N 1.500 122.765 121.223 0.070 0.000 2.042 35 L HA -0.044 4.297 4.340 0.000 0.000 0.210 35 L C 2.097 179.033 176.870 0.110 0.000 1.076 35 L CA 1.839 56.735 54.840 0.093 0.000 0.749 35 L CB -0.978 41.137 42.059 0.092 0.000 0.893 35 L HN 0.304 nan 8.230 nan 0.000 0.432 36 I N -0.005 120.618 120.570 0.087 0.000 2.202 36 I HA -0.284 3.886 4.170 0.000 0.000 0.242 36 I C 2.517 178.671 176.117 0.062 0.000 1.091 36 I CA 1.335 62.679 61.300 0.074 0.000 1.368 36 I CB -0.267 37.730 38.000 -0.003 0.000 1.058 36 I HN 0.258 nan 8.210 nan 0.000 0.410 37 E N 1.540 121.772 120.200 0.053 0.000 2.085 37 E HA -0.243 4.107 4.350 0.000 0.000 0.194 37 E C 1.982 178.630 176.600 0.080 0.000 0.994 37 E CA 1.614 58.050 56.400 0.060 0.000 0.801 37 E CB -0.093 29.643 29.700 0.060 0.000 0.743 37 E HN 0.435 nan 8.360 nan 0.000 0.453 38 E N -0.742 119.508 120.200 0.083 0.000 2.204 38 E HA -0.153 4.197 4.350 0.000 0.000 0.194 38 E C 2.223 178.787 176.600 -0.060 0.000 0.989 38 E CA 0.986 57.423 56.400 0.061 0.000 0.824 38 E CB -0.156 29.576 29.700 0.053 0.000 0.756 38 E HN 0.367 nan 8.360 nan 0.000 0.477 39 C N 0.679 119.977 119.300 -0.003 0.000 2.486 39 C HA -0.007 4.453 4.460 0.000 0.000 0.279 39 C C 2.621 177.631 174.990 0.033 0.000 1.302 39 C CA 0.112 59.131 59.018 0.003 0.000 1.720 39 C CB -0.801 27.026 27.740 0.145 0.000 2.030 39 C HN 0.391 nan 8.230 nan 0.000 0.490 40 L N 0.448 121.708 121.223 0.062 0.000 2.012 40 L HA -0.249 4.091 4.340 0.000 0.000 0.210 40 L C 2.804 179.721 176.870 0.078 0.000 1.073 40 L CA 1.703 56.587 54.840 0.073 0.000 0.748 40 L CB -0.854 41.245 42.059 0.066 0.000 0.891 40 L HN 0.470 nan 8.230 nan 0.000 0.431 41 Q N -0.030 119.822 119.800 0.085 0.000 2.030 41 Q HA -0.218 4.122 4.340 0.000 0.000 0.204 41 Q C 2.242 178.311 176.000 0.114 0.000 0.986 41 Q CA 2.299 58.173 55.803 0.117 0.000 0.843 41 Q CB -0.034 28.811 28.738 0.178 0.000 0.904 41 Q HN 0.360 nan 8.270 nan 0.000 0.420 42 V N 1.130 121.080 119.914 0.060 0.000 2.469 42 V HA -0.280 3.840 4.120 0.000 0.000 0.251 42 V C 2.272 178.384 176.094 0.030 0.000 1.064 42 V CA 1.468 63.788 62.300 0.033 0.000 1.066 42 V CB -0.517 31.221 31.823 -0.142 0.000 0.667 42 V HN 0.388 nan 8.190 nan 0.000 0.461 43 L N -0.033 121.204 121.223 0.024 0.000 2.156 43 L HA -0.075 4.265 4.340 0.000 0.000 0.208 43 L C 2.396 179.349 176.870 0.140 0.000 1.095 43 L CA 1.077 55.939 54.840 0.038 0.000 0.770 43 L CB -0.590 41.530 42.059 0.101 0.000 0.914 43 L HN 0.378 nan 8.230 nan 0.000 0.439 44 N N -0.078 118.702 118.700 0.134 0.000 2.244 44 N HA -0.166 4.574 4.740 0.000 0.000 0.183 44 N C 1.808 177.400 175.510 0.138 0.000 1.016 44 N CA 0.975 54.108 53.050 0.139 0.000 0.866 44 N CB -0.093 38.460 38.487 0.111 0.000 0.980 44 N HN 0.477 nan 8.380 nan 0.000 0.430 45 Q N 0.012 119.896 119.800 0.140 0.000 2.084 45 Q HA -0.030 4.310 4.340 0.000 0.000 0.202 45 Q C 2.049 178.143 176.000 0.156 0.000 0.978 45 Q CA 1.172 57.061 55.803 0.143 0.000 0.844 45 Q CB -0.086 28.774 28.738 0.204 0.000 0.898 45 Q HN 0.408 nan 8.270 nan 0.000 0.426 46 C N 0.875 120.281 119.300 0.176 0.000 2.448 46 C HA -0.024 4.436 4.460 0.000 0.000 0.280 46 C C 2.343 177.509 174.990 0.294 0.000 1.398 46 C CA -0.054 59.074 59.018 0.184 0.000 1.774 46 C CB -0.642 27.067 27.740 -0.052 0.000 1.888 46 C HN 0.468 nan 8.230 nan 0.000 0.519 47 E N 1.364 121.743 120.200 0.297 0.000 2.097 47 E HA -0.190 4.160 4.350 0.000 0.000 0.196 47 E C 1.788 178.485 176.600 0.161 0.000 1.000 47 E CA 2.165 58.721 56.400 0.260 0.000 0.804 47 E CB -0.138 29.671 29.700 0.181 0.000 0.740 47 E HN 0.754 nan 8.360 nan 0.000 0.454 48 T N -2.225 112.405 114.554 0.127 0.000 3.145 48 T HA 0.303 4.653 4.350 0.000 0.000 0.281 48 T C 0.856 175.599 174.700 0.071 0.000 1.003 48 T CA -0.375 61.776 62.100 0.084 0.000 0.901 48 T CB 0.699 69.604 68.868 0.061 0.000 1.112 48 T HN -0.163 nan 8.240 nan 0.000 0.535 49 S N 2.372 118.127 115.700 0.092 0.000 2.546 49 S HA 0.346 4.816 4.470 0.000 0.000 0.265 49 S C 1.621 176.262 174.600 0.067 0.000 1.190 49 S CA 0.033 58.271 58.200 0.063 0.000 1.014 49 S CB 0.430 63.673 63.200 0.072 0.000 1.087 49 S HN 0.625 nan 8.310 nan 0.000 0.525 50 T N -1.405 113.182 114.554 0.057 0.000 3.145 50 T HA 0.231 4.581 4.350 0.000 0.000 0.255 50 T C 0.193 174.943 174.700 0.084 0.000 1.039 50 T CA -0.335 61.798 62.100 0.056 0.000 0.928 50 T CB -0.418 68.471 68.868 0.035 0.000 1.029 50 T HN 0.276 nan 8.240 nan 0.000 0.554 51 V N 1.783 121.769 119.914 0.120 0.000 2.521 51 V HA 0.285 4.405 4.120 0.000 0.000 0.286 51 V C 0.952 177.129 176.094 0.138 0.000 1.034 51 V CA 0.709 63.091 62.300 0.136 0.000 1.045 51 V CB 0.960 32.881 31.823 0.164 0.000 0.974 51 V HN 0.577 nan 8.190 nan 0.000 0.480 52 T N 5.102 119.716 114.554 0.099 0.000 3.000 52 T HA 0.231 4.581 4.350 0.000 0.000 0.248 52 T C 0.080 174.852 174.700 0.119 0.000 1.034 52 T CA 0.963 63.127 62.100 0.108 0.000 1.060 52 T CB 0.551 69.459 68.868 0.066 0.000 0.983 52 T HN 0.843 nan 8.240 nan 0.000 0.482 53 V N 0.121 120.063 119.914 0.046 0.000 3.087 53 V HA 0.817 4.937 4.120 0.000 0.000 0.306 53 V C -1.963 174.048 176.094 -0.138 0.000 1.187 53 V CA -0.774 61.528 62.300 0.005 0.000 0.999 53 V CB 2.436 34.252 31.823 -0.012 0.000 1.049 53 V HN -0.133 nan 8.190 nan 0.000 0.431 54 V N 4.685 124.499 119.914 -0.166 0.000 2.540 54 V HA 0.632 4.752 4.120 0.000 0.000 0.302 54 V C -0.376 175.589 176.094 -0.215 0.000 1.035 54 V CA -0.534 61.597 62.300 -0.282 0.000 0.873 54 V CB 1.827 33.438 31.823 -0.354 0.000 0.992 54 V HN 0.839 nan 8.190 nan 0.000 0.428 55 V N 5.936 125.673 119.914 -0.295 0.000 2.435 55 V HA 0.501 4.621 4.120 0.000 0.000 0.290 55 V C -0.535 175.516 176.094 -0.071 0.000 1.030 55 V CA -0.606 61.610 62.300 -0.140 0.000 0.881 55 V CB 1.611 33.356 31.823 -0.130 0.000 0.983 55 V HN 0.589 nan 8.190 nan 0.000 0.445 56 L N 5.386 126.629 121.223 0.034 0.000 2.282 56 L HA 0.599 4.939 4.340 0.000 0.000 0.288 56 L C 0.150 177.153 176.870 0.221 0.000 1.033 56 L CA 0.265 55.088 54.840 -0.028 0.000 0.807 56 L CB 1.172 43.315 42.059 0.139 0.000 1.209 56 L HN 0.684 nan 8.230 nan 0.000 0.423 57 E N 0.932 121.111 120.200 -0.035 0.000 2.369 57 E HA 0.803 5.154 4.350 0.000 0.000 0.270 57 E C -0.399 176.168 176.600 -0.055 0.000 0.909 57 E CA -0.859 55.637 56.400 0.161 0.000 0.775 57 E CB 2.436 32.188 29.700 0.087 0.000 1.270 57 E HN 0.638 nan 8.360 nan 0.000 0.445 58 G N 0.441 109.313 108.800 0.121 0.000 3.247 58 G HA2 0.569 4.529 3.960 0.000 0.000 0.226 58 G HA3 0.569 4.529 3.960 0.000 0.000 0.226 58 G C -0.742 174.199 174.900 0.069 0.000 1.220 58 G CA -0.836 44.297 45.100 0.055 0.000 0.875 58 G HN 0.292 nan 8.290 nan 0.000 0.606 59 L N 0.764 122.022 121.223 0.057 0.000 2.466 59 L HA 0.245 4.585 4.340 0.000 0.000 0.257 59 L C -1.322 175.564 176.870 0.027 0.000 1.189 59 L CA -1.429 53.431 54.840 0.033 0.000 0.813 59 L CB 1.493 43.551 42.059 -0.001 0.000 1.118 59 L HN 0.289 nan 8.230 nan 0.000 0.471 60 P HA -0.161 nan 4.420 nan 0.000 0.218 60 P C 0.325 177.622 177.300 -0.007 0.000 1.148 60 P CA 1.128 64.224 63.100 -0.006 0.000 0.822 60 P CB 0.240 31.937 31.700 -0.006 0.000 0.784 61 E N -1.976 118.220 120.200 -0.008 0.000 2.489 61 E HA 0.244 4.594 4.350 0.000 0.000 0.204 61 E C 0.085 176.685 176.600 -0.001 0.000 1.006 61 E CA -0.187 56.204 56.400 -0.016 0.000 0.936 61 E CB 0.261 29.940 29.700 -0.034 0.000 1.002 61 E HN 0.013 nan 8.360 nan 0.000 0.488 62 V N 0.750 120.681 119.914 0.029 0.000 2.737 62 V HA 0.272 4.392 4.120 0.000 0.000 0.298 62 V C -0.748 175.434 176.094 0.148 0.000 1.163 62 V CA -0.907 61.444 62.300 0.086 0.000 0.925 62 V CB 1.081 32.915 31.823 0.018 0.000 1.037 62 V HN 0.091 nan 8.190 nan 0.000 0.433 63 F N 5.789 125.760 119.950 0.036 0.000 2.074 63 F HA 0.441 4.968 4.527 0.000 0.000 0.293 63 F C 0.796 176.624 175.800 0.046 0.000 1.116 63 F CA 1.482 59.517 58.000 0.059 0.000 1.212 63 F CB 0.406 39.437 39.000 0.053 0.000 0.998 63 F HN 0.696 nan 8.300 nan 0.000 0.471 64 C N -0.553 118.809 119.300 0.103 0.000 3.146 64 C HA 0.277 4.737 4.460 0.000 0.000 0.405 64 C C 0.103 175.209 174.990 0.193 0.000 1.012 64 C CA -1.162 57.827 59.018 -0.048 0.000 1.217 64 C CB -0.334 27.212 27.740 -0.323 0.000 1.599 64 C HN 0.423 nan 8.230 nan 0.000 0.567 65 F N 3.745 123.687 119.950 -0.013 0.000 2.721 65 F HA 0.493 5.020 4.527 0.000 0.000 0.301 65 F C 1.474 177.315 175.800 0.068 0.000 1.096 65 F CA 1.562 59.577 58.000 0.026 0.000 1.308 65 F CB 0.417 39.415 39.000 -0.004 0.000 1.086 65 F HN 1.260 nan 8.300 nan 0.000 0.587 66 G N 0.376 109.282 108.800 0.177 0.000 2.512 66 G HA2 0.065 4.025 3.960 0.000 0.000 0.210 66 G HA3 0.065 4.025 3.960 0.000 0.000 0.210 66 G C -0.211 174.821 174.900 0.220 0.000 1.295 66 G CA -0.638 44.578 45.100 0.192 0.000 0.934 66 G HN 0.621 nan 8.290 nan 0.000 0.554 67 A N 0.087 123.069 122.820 0.270 0.000 2.598 67 A HA 0.375 4.695 4.320 0.000 0.000 0.239 67 A C 0.649 178.432 177.584 0.332 0.000 1.032 67 A CA 1.331 53.543 52.037 0.291 0.000 0.760 67 A CB 0.051 19.310 19.000 0.432 0.000 0.946 67 A HN 0.973 nan 8.150 nan 0.000 0.512 68 D N 3.081 123.606 120.400 0.208 0.000 2.435 68 D HA 0.184 4.824 4.640 0.000 0.000 0.230 68 D C 0.439 176.889 176.300 0.250 0.000 1.215 68 D CA -0.183 53.935 54.000 0.197 0.000 0.947 68 D CB -0.226 40.630 40.800 0.093 0.000 1.048 68 D HN 0.404 nan 8.370 nan 0.000 0.512 69 F N 2.179 122.155 119.950 0.044 0.000 2.126 69 F HA -0.233 4.294 4.527 0.000 0.000 0.299 69 F C 2.316 178.139 175.800 0.039 0.000 1.096 69 F CA 1.118 59.139 58.000 0.034 0.000 1.255 69 F CB -0.468 38.559 39.000 0.045 0.000 0.997 69 F HN 0.391 nan 8.300 nan 0.000 0.479 70 Q N -0.023 119.915 119.800 0.229 0.000 2.045 70 Q HA -0.257 4.083 4.340 0.000 0.000 0.206 70 Q C 2.159 178.237 176.000 0.131 0.000 0.991 70 Q CA 2.072 57.954 55.803 0.131 0.000 0.851 70 Q CB -0.726 28.057 28.738 0.075 0.000 0.911 70 Q HN 0.536 nan 8.270 nan 0.000 0.418 71 E N 0.337 120.590 120.200 0.087 0.000 2.110 71 E HA -0.173 4.177 4.350 0.000 0.000 0.193 71 E C 1.811 178.413 176.600 0.003 0.000 0.988 71 E CA 0.893 57.317 56.400 0.039 0.000 0.804 71 E CB -0.048 29.661 29.700 0.015 0.000 0.745 71 E HN 0.426 nan 8.360 nan 0.000 0.458 72 I N 0.235 120.791 120.570 -0.023 0.000 2.353 72 I HA -0.230 3.940 4.170 0.000 0.000 0.248 72 I C 2.308 178.405 176.117 -0.033 0.000 1.119 72 I CA 0.795 62.029 61.300 -0.110 0.000 1.417 72 I CB -0.415 37.428 38.000 -0.262 0.000 1.078 72 I HN 0.208 nan 8.210 nan 0.000 0.421 73 Y N 2.231 122.478 120.300 -0.088 0.000 2.053 73 Y HA -0.332 4.218 4.550 0.000 0.000 0.277 73 Y C 2.765 178.635 175.900 -0.050 0.000 1.159 73 Y CA 1.755 59.820 58.100 -0.059 0.000 1.125 73 Y CB -0.382 38.063 38.460 -0.025 0.000 0.969 73 Y HN 0.142 nan 8.280 nan 0.000 0.492 74 Q N 1.026 120.830 119.800 0.007 0.000 2.061 74 Q HA -0.165 4.175 4.340 0.000 0.000 0.204 74 Q C 0.878 176.803 176.000 -0.124 0.000 0.984 74 Q CA 1.517 57.268 55.803 -0.087 0.000 0.846 74 Q CB -0.657 28.084 28.738 0.005 0.000 0.902 74 Q HN 0.645 nan 8.270 nan 0.000 0.421 78 R N -2.168 118.262 120.500 -0.117 0.000 3.340 78 R HA 0.201 4.541 4.340 0.000 0.000 0.264 78 R C 0.785 177.045 176.300 -0.067 0.000 0.954 78 R CA -0.470 55.581 56.100 -0.081 0.000 0.808 78 R CB -0.380 29.875 30.300 -0.075 0.000 1.619 78 R HN 0.198 nan 8.270 nan 0.000 0.428 79 G N 0.625 109.393 108.800 -0.053 0.000 2.575 79 G HA2 -0.230 3.730 3.960 0.000 0.000 0.215 79 G HA3 -0.230 3.730 3.960 0.000 0.000 0.215 79 G C 0.176 175.047 174.900 -0.048 0.000 1.262 79 G CA 0.804 45.877 45.100 -0.044 0.000 0.807 79 G HN 0.539 nan 8.290 nan 0.000 0.567 80 R N 0.993 121.464 120.500 -0.049 0.000 2.876 80 R HA -0.188 4.152 4.340 0.000 0.000 0.165 80 R C 1.149 177.419 176.300 -0.050 0.000 0.533 80 R CA 0.675 56.744 56.100 -0.053 0.000 0.615 80 R CB -0.173 30.088 30.300 -0.066 0.000 1.602 80 R HN 0.487 nan 8.270 nan 0.000 0.491 81 K N 3.400 123.778 120.400 -0.037 0.000 2.890 81 K HA -0.005 4.315 4.320 0.000 0.000 0.187 81 K C 0.022 176.608 176.600 -0.024 0.000 1.103 81 K CA -0.038 56.232 56.287 -0.027 0.000 1.284 81 K CB -0.294 32.195 32.500 -0.019 0.000 1.754 81 K HN 0.558 nan 8.250 nan 0.000 0.471 82 Q N 1.402 121.193 119.800 -0.016 0.000 2.485 82 Q HA 0.046 4.386 4.340 0.000 0.000 0.348 82 Q C -0.248 175.740 176.000 -0.020 0.000 1.097 82 Q CA -0.271 55.527 55.803 -0.009 0.000 1.079 82 Q CB -0.142 28.590 28.738 -0.009 0.000 1.108 82 Q HN 0.386 nan 8.270 nan 0.000 0.400 83 A N 3.281 126.096 122.820 -0.009 0.000 2.371 83 A HA 0.313 4.633 4.320 0.000 0.000 0.257 83 A C 0.145 177.706 177.584 -0.038 0.000 1.089 83 A CA -0.555 51.459 52.037 -0.038 0.000 0.794 83 A CB 0.660 19.663 19.000 0.004 0.000 1.029 83 A HN 0.706 nan 8.150 nan 0.000 0.488 84 S N 0.537 116.195 115.700 -0.070 0.000 2.572 84 S HA 0.270 4.741 4.470 0.000 0.000 0.267 84 S C 0.859 175.438 174.600 -0.034 0.000 1.361 84 S CA 0.300 58.467 58.200 -0.054 0.000 1.009 84 S CB 0.359 63.517 63.200 -0.071 0.000 0.888 84 S HN 1.184 nan 8.310 nan 0.000 0.553 85 S N 1.896 117.579 115.700 -0.028 0.000 2.430 85 S HA 0.198 4.668 4.470 0.000 0.000 0.289 85 S C 0.385 174.969 174.600 -0.027 0.000 1.143 85 S CA -0.775 57.413 58.200 -0.020 0.000 1.067 85 S CB 0.815 64.003 63.200 -0.021 0.000 0.964 85 S HN 0.555 nan 8.310 nan 0.000 0.485 86 Q N 2.308 122.096 119.800 -0.020 0.000 2.452 86 Q HA 0.028 4.368 4.340 0.000 0.000 0.214 86 Q C 1.306 177.288 176.000 -0.031 0.000 0.966 86 Q CA 0.203 55.984 55.803 -0.038 0.000 0.964 86 Q CB -0.336 28.393 28.738 -0.015 0.000 0.992 86 Q HN 0.808 nan 8.270 nan 0.000 0.517 87 E N 0.476 120.665 120.200 -0.019 0.000 2.108 87 E HA -0.211 4.139 4.350 0.000 0.000 0.203 87 E C -0.819 175.787 176.600 0.010 0.000 1.022 87 E CA 1.609 58.010 56.400 0.003 0.000 0.823 87 E CB -0.720 28.976 29.700 -0.007 0.000 0.744 87 E HN 0.345 nan 8.360 nan 0.000 0.456 88 P HA -0.158 nan 4.420 nan 0.000 0.215 88 P C 1.619 178.836 177.300 -0.138 0.000 1.153 88 P CA 0.891 63.960 63.100 -0.051 0.000 0.853 88 P CB -0.074 31.597 31.700 -0.048 0.000 0.788 89 L N -2.050 119.028 121.223 -0.241 0.000 2.093 89 L HA -0.139 4.201 4.340 0.000 0.000 0.208 89 L C 2.304 178.741 176.870 -0.722 0.000 1.085 89 L CA 1.726 56.217 54.840 -0.582 0.000 0.755 89 L CB -1.421 40.241 42.059 -0.662 0.000 0.904 89 L HN -0.092 nan 8.230 nan 0.000 0.435 90 Y N 0.323 120.387 120.300 -0.393 0.000 2.163 90 Y HA -0.243 4.307 4.550 0.000 0.000 0.288 90 Y C 2.323 178.231 175.900 0.013 0.000 1.136 90 Y CA 2.081 60.122 58.100 -0.098 0.000 1.147 90 Y CB -0.109 38.386 38.460 0.059 0.000 0.987 90 Y HN 0.303 nan 8.280 nan 0.000 0.509 91 D N -0.166 120.317 120.400 0.138 0.000 2.144 91 D HA -0.169 4.471 4.640 0.000 0.000 0.200 91 D C 2.148 178.470 176.300 0.036 0.000 0.978 91 D CA 1.108 55.182 54.000 0.123 0.000 0.833 91 D CB -0.485 40.373 40.800 0.097 0.000 0.961 91 D HN 0.342 nan 8.370 nan 0.000 0.470 92 L N 0.443 121.613 121.223 -0.089 0.000 2.012 92 L HA -0.088 4.252 4.340 0.000 0.000 0.210 92 L C 0.619 177.476 176.870 -0.022 0.000 1.073 92 L CA 1.242 56.034 54.840 -0.079 0.000 0.748 92 L CB -0.443 41.498 42.059 -0.196 0.000 0.891 92 L HN -0.035 nan 8.230 nan 0.000 0.431 96 L N 1.571 122.918 121.223 0.207 0.000 2.131 96 L HA -0.095 4.245 4.340 0.000 0.000 0.210 96 L C 1.997 178.981 176.870 0.189 0.000 1.092 96 L CA 1.484 56.467 54.840 0.238 0.000 0.759 96 L CB -0.153 42.026 42.059 0.199 0.000 0.903 96 L HN 0.335 nan 8.230 nan 0.000 0.435 97 Q N -1.113 118.776 119.800 0.149 0.000 2.302 97 Q HA -0.082 4.258 4.340 0.000 0.000 0.202 97 Q C 2.028 178.072 176.000 0.072 0.000 0.936 97 Q CA 1.702 57.582 55.803 0.128 0.000 0.886 97 Q CB 0.294 29.142 28.738 0.183 0.000 0.986 97 Q HN 0.600 nan 8.270 nan 0.000 0.487 98 T N -3.465 111.126 114.554 0.062 0.000 2.990 98 T HA 0.188 4.538 4.350 0.000 0.000 0.250 98 T C 1.044 175.689 174.700 -0.092 0.000 1.041 98 T CA 0.180 62.281 62.100 0.002 0.000 1.010 98 T CB 0.164 69.053 68.868 0.035 0.000 1.003 98 T HN 0.128 nan 8.240 nan 0.000 0.499 99 G N 3.361 112.068 108.800 -0.154 0.000 2.647 99 G HA2 0.359 4.319 3.960 0.000 0.000 0.234 99 G HA3 0.359 4.319 3.960 0.000 0.000 0.234 99 G C -2.018 172.393 174.900 -0.816 0.000 1.252 99 G CA -0.971 43.785 45.100 -0.574 0.000 0.846 99 G HN 0.256 nan 8.290 nan 0.000 0.589 100 P HA 0.203 nan 4.420 nan 0.000 0.220 100 P C -1.447 175.612 177.300 -0.401 0.000 1.806 100 P CA 0.105 62.923 63.100 -0.469 0.000 0.976 100 P CB -0.630 30.937 31.700 -0.221 0.000 1.952 101 Y N -2.975 117.360 120.300 0.059 0.000 2.687 101 Y HA 0.317 4.867 4.550 0.000 0.000 0.338 101 Y C -1.070 174.866 175.900 0.060 0.000 1.189 101 Y CA -1.910 56.220 58.100 0.051 0.000 1.097 101 Y CB 0.224 38.708 38.460 0.040 0.000 1.342 101 Y HN -0.310 nan 8.280 nan 0.000 0.461 102 V N 2.552 122.627 119.914 0.267 0.000 2.408 102 V HA 0.454 4.574 4.120 0.000 0.000 0.267 102 V C 0.228 176.431 176.094 0.182 0.000 1.047 102 V CA -0.022 62.396 62.300 0.197 0.000 0.937 102 V CB 0.720 32.625 31.823 0.136 0.000 0.999 102 V HN 0.900 nan 8.190 nan 0.000 0.472 103 T N 4.219 118.891 114.554 0.196 0.000 2.845 103 T HA 0.781 5.131 4.350 0.000 0.000 0.288 103 T C -0.535 174.225 174.700 0.100 0.000 0.980 103 T CA -0.487 61.699 62.100 0.143 0.000 1.071 103 T CB 1.121 70.104 68.868 0.192 0.000 0.941 103 T HN 0.373 nan 8.240 nan 0.000 0.487 104 I N 1.819 122.428 120.570 0.066 0.000 2.533 104 I HA 0.341 4.511 4.170 0.000 0.000 0.290 104 I C -0.203 175.974 176.117 0.100 0.000 1.056 104 I CA -0.972 60.361 61.300 0.056 0.000 1.057 104 I CB 2.473 40.478 38.000 0.008 0.000 1.240 104 I HN 0.590 nan 8.210 nan 0.000 0.423 105 S N 3.382 119.141 115.700 0.098 0.000 2.429 105 S HA 0.278 4.748 4.470 0.000 0.000 0.302 105 S C -0.543 174.086 174.600 0.048 0.000 1.115 105 S CA -0.290 57.985 58.200 0.126 0.000 1.095 105 S CB 0.274 63.492 63.200 0.029 0.000 0.987 105 S HN 0.474 nan 8.310 nan 0.000 0.474 106 H N 3.623 122.694 119.070 0.000 0.000 2.680 106 H HA 0.445 5.001 4.556 0.000 0.000 0.260 106 H C -0.950 174.318 175.328 -0.100 0.000 1.328 106 H CA -0.846 55.192 56.048 -0.016 0.000 1.269 106 H CB -0.468 29.343 29.762 0.081 0.000 1.446 106 H HN 0.283 nan 8.280 nan 0.000 0.527 107 V N 6.901 126.703 119.914 -0.187 0.000 2.432 107 V HA 0.391 4.511 4.120 0.000 0.000 0.271 107 V C 0.374 176.377 176.094 -0.151 0.000 1.046 107 V CA -0.246 61.816 62.300 -0.397 0.000 0.945 107 V CB 0.504 32.098 31.823 -0.382 0.000 0.992 107 V HN 0.678 nan 8.190 nan 0.000 0.471 108 R N 3.237 123.670 120.500 -0.112 0.000 2.621 108 R HA 0.694 5.034 4.340 0.000 0.000 0.284 108 R C 0.336 176.613 176.300 -0.039 0.000 0.998 108 R CA -0.058 55.998 56.100 -0.073 0.000 0.895 108 R CB 2.152 32.396 30.300 -0.093 0.000 1.195 108 R HN 1.031 nan 8.270 nan 0.000 0.450 109 G N 2.215 110.974 108.800 -0.069 0.000 2.642 109 G HA2 -0.283 3.677 3.960 0.000 0.000 0.231 109 G HA3 -0.283 3.677 3.960 0.000 0.000 0.231 109 G C -0.863 173.970 174.900 -0.112 0.000 1.338 109 G CA -0.705 44.359 45.100 -0.060 0.000 0.883 109 G HN 0.495 nan 8.290 nan 0.000 0.570 110 K N -0.819 119.570 120.400 -0.019 0.000 2.355 110 K HA 0.492 4.812 4.320 0.000 0.000 0.270 110 K C -0.180 176.464 176.600 0.073 0.000 1.003 110 K CA -0.012 56.298 56.287 0.038 0.000 0.957 110 K CB 1.208 33.893 32.500 0.308 0.000 0.939 110 K HN 0.579 nan 8.250 nan 0.000 0.482 111 V N 2.403 122.263 119.914 -0.091 0.000 2.567 111 V HA 0.160 4.280 4.120 0.000 0.000 0.298 111 V C -0.975 174.973 176.094 -0.244 0.000 1.047 111 V CA -1.044 61.223 62.300 -0.054 0.000 0.880 111 V CB 1.534 33.334 31.823 -0.038 0.000 1.009 111 V HN 0.782 nan 8.190 nan 0.000 0.429 112 N N 2.979 121.357 118.700 -0.537 0.000 2.370 112 N HA 0.673 5.413 4.740 0.000 0.000 0.303 112 N C 0.263 175.607 175.510 -0.276 0.000 1.103 112 N CA -0.014 52.613 53.050 -0.706 0.000 0.848 112 N CB 1.985 39.395 38.487 -1.796 0.000 1.235 112 N HN 0.974 nan 8.380 nan 0.000 0.496 113 A N 1.705 124.438 122.820 -0.144 0.000 2.453 113 A HA 0.324 4.644 4.320 0.000 0.000 0.293 113 A C 1.289 178.910 177.584 0.061 0.000 1.022 113 A CA 1.418 53.455 52.037 -0.001 0.000 1.078 113 A CB -1.716 17.307 19.000 0.038 0.000 0.846 113 A HN 1.157 nan 8.150 nan 0.000 0.473 114 G N 1.759 110.618 108.800 0.098 0.000 4.241 114 G HA2 0.029 3.989 3.960 0.000 0.000 0.193 114 G HA3 0.029 3.989 3.960 0.000 0.000 0.193 114 G C 1.352 176.377 174.900 0.207 0.000 1.789 114 G CA 0.526 45.750 45.100 0.205 0.000 1.025 114 G HN 1.587 nan 8.290 nan 0.000 0.346 115 G N 0.795 109.702 108.800 0.179 0.000 2.509 115 G HA2 0.186 4.146 3.960 0.000 0.000 0.218 115 G HA3 0.186 4.146 3.960 0.000 0.000 0.218 115 G C 1.675 176.723 174.900 0.247 0.000 1.124 115 G CA 1.311 46.579 45.100 0.281 0.000 0.776 115 G HN 0.506 nan 8.290 nan 0.000 0.547 116 L N 1.033 122.310 121.223 0.090 0.000 2.275 116 L HA 0.147 4.487 4.340 0.000 0.000 0.215 116 L C 2.901 179.620 176.870 -0.252 0.000 1.119 116 L CA 1.322 56.169 54.840 0.012 0.000 0.790 116 L CB -0.312 41.760 42.059 0.022 0.000 0.919 116 L HN 0.220 nan 8.230 nan 0.000 0.443 117 G N -1.307 107.120 108.800 -0.622 0.000 2.408 117 G HA2 -0.263 3.697 3.960 0.000 0.000 0.217 117 G HA3 -0.263 3.697 3.960 0.000 0.000 0.217 117 G C 1.434 175.363 174.900 -1.617 0.000 1.150 117 G CA 0.449 44.520 45.100 -1.715 0.000 0.776 117 G HN 0.240 nan 8.290 nan 0.000 0.542 118 F N 0.720 120.197 119.950 -0.788 0.000 2.084 118 F HA -0.047 4.480 4.527 0.000 0.000 0.296 118 F C 2.928 178.679 175.800 -0.081 0.000 1.111 118 F CA 0.925 58.774 58.000 -0.252 0.000 1.224 118 F CB -0.750 38.372 39.000 0.204 0.000 0.991 118 F HN -0.039 nan 8.300 nan 0.000 0.471 119 V N -0.036 120.006 119.914 0.213 0.000 2.287 119 V HA -0.322 3.798 4.120 0.000 0.000 0.248 119 V C 2.300 178.377 176.094 -0.027 0.000 1.053 119 V CA 2.277 64.629 62.300 0.086 0.000 1.027 119 V CB -1.283 30.572 31.823 0.053 0.000 0.646 119 V HN 0.464 nan 8.190 nan 0.000 0.447 120 S N 0.583 116.216 115.700 -0.112 0.000 2.461 120 S HA 0.087 4.557 4.470 0.000 0.000 0.228 120 S C 1.968 176.526 174.600 -0.070 0.000 1.005 120 S CA 0.870 59.018 58.200 -0.085 0.000 0.942 120 S CB -0.224 62.937 63.200 -0.064 0.000 0.776 120 S HN 0.569 nan 8.310 nan 0.000 0.514 121 A N 2.170 124.842 122.820 -0.247 0.000 2.016 121 A HA 0.169 4.489 4.320 0.000 0.000 0.217 121 A C 1.552 179.118 177.584 -0.030 0.000 1.162 121 A CA 0.973 52.857 52.037 -0.256 0.000 0.662 121 A CB -1.153 17.390 19.000 -0.761 0.000 0.812 121 A HN 0.623 nan 8.150 nan 0.000 0.450 122 T N -1.715 112.853 114.554 0.024 0.000 2.918 122 T HA 0.169 4.519 4.350 0.000 0.000 0.302 122 T C 0.330 175.082 174.700 0.087 0.000 1.045 122 T CA -0.000 62.158 62.100 0.098 0.000 1.114 122 T CB 0.852 69.799 68.868 0.132 0.000 0.965 122 T HN 0.276 nan 8.240 nan 0.000 0.540 123 D N 1.006 121.472 120.400 0.109 0.000 2.123 123 D HA -0.015 4.625 4.640 0.000 0.000 0.196 123 D C 0.766 177.122 176.300 0.093 0.000 0.992 123 D CA 1.330 55.395 54.000 0.109 0.000 0.833 123 D CB 0.139 41.019 40.800 0.133 0.000 0.954 123 D HN 0.578 nan 8.370 nan 0.000 0.455 124 I N -0.168 120.450 120.570 0.079 0.000 2.608 124 I HA 0.466 4.636 4.170 0.000 0.000 0.295 124 I C -0.807 175.322 176.117 0.019 0.000 1.049 124 I CA -0.962 60.370 61.300 0.053 0.000 1.063 124 I CB 2.428 40.461 38.000 0.056 0.000 1.248 124 I HN -0.223 nan 8.210 nan 0.000 0.424 125 A N 7.242 130.058 122.820 -0.007 0.000 2.353 125 A HA 0.842 5.162 4.320 0.000 0.000 0.299 125 A C -0.825 176.734 177.584 -0.042 0.000 1.089 125 A CA -0.477 51.542 52.037 -0.030 0.000 0.736 125 A CB 1.146 20.122 19.000 -0.040 0.000 1.195 125 A HN 0.720 nan 8.150 nan 0.000 0.447 126 I N -0.591 119.948 120.570 -0.051 0.000 2.785 126 I HA 0.998 5.168 4.170 0.000 0.000 0.302 126 I C -0.220 175.944 176.117 0.078 0.000 1.069 126 I CA -0.978 60.305 61.300 -0.028 0.000 1.045 126 I CB 2.297 40.184 38.000 -0.188 0.000 1.236 126 I HN 0.770 nan 8.210 nan 0.000 0.429 127 A N 3.077 125.990 122.820 0.154 0.000 2.524 127 A HA 0.807 5.128 4.320 0.000 0.000 0.289 127 A C -1.606 176.125 177.584 0.244 0.000 1.248 127 A CA -0.405 51.747 52.037 0.192 0.000 0.712 127 A CB 1.526 20.635 19.000 0.183 0.000 1.312 127 A HN 0.922 nan 8.150 nan 0.000 0.441 128 D N -1.146 119.377 120.400 0.205 0.000 2.758 128 D HA 0.378 5.018 4.640 0.000 0.000 0.262 128 D C -0.595 175.826 176.300 0.202 0.000 1.113 128 D CA -0.466 53.658 54.000 0.208 0.000 1.114 128 D CB 0.010 40.897 40.800 0.144 0.000 1.363 128 D HN 0.377 nan 8.370 nan 0.000 0.617 129 Q N -0.881 119.022 119.800 0.172 0.000 2.527 129 Q HA 0.208 4.548 4.340 0.000 0.000 0.189 129 Q C 0.838 176.858 176.000 0.033 0.000 1.116 129 Q CA 1.289 57.163 55.803 0.118 0.000 1.169 129 Q CB -0.109 28.693 28.738 0.106 0.000 1.211 129 Q HN 0.986 nan 8.270 nan 0.000 0.649 130 T N -4.412 110.139 114.554 -0.005 0.000 10.665 130 T HA -0.270 4.080 4.350 0.000 0.000 0.384 130 T C 0.422 175.062 174.700 -0.099 0.000 1.689 130 T CA 1.132 63.209 62.100 -0.039 0.000 2.678 130 T CB -1.870 66.985 68.868 -0.023 0.000 2.663 130 T HN 1.001 nan 8.240 nan 0.000 0.987 131 A N 2.017 124.762 122.820 -0.125 0.000 2.492 131 A HA 0.614 4.934 4.320 0.000 0.000 0.254 131 A C 0.723 178.060 177.584 -0.411 0.000 1.091 131 A CA 0.503 52.366 52.037 -0.290 0.000 0.768 131 A CB 0.136 19.012 19.000 -0.207 0.000 1.028 131 A HN 2.010 nan 8.150 nan 0.000 0.498 132 S N 1.382 116.694 115.700 -0.646 0.000 2.627 132 S HA 0.906 5.376 4.470 0.000 0.000 0.283 132 S C -0.948 173.135 174.600 -0.861 0.000 1.127 132 S CA -0.684 57.215 58.200 -0.502 0.000 0.863 132 S CB 1.209 64.281 63.200 -0.214 0.000 1.121 132 S HN 0.587 nan 8.310 nan 0.000 0.479 133 F N 0.791 120.685 119.950 -0.093 0.000 2.581 133 F HA 0.776 5.303 4.527 0.000 0.000 0.311 133 F C 0.076 175.824 175.800 -0.087 0.000 1.113 133 F CA -0.325 57.621 58.000 -0.089 0.000 0.935 133 F CB 2.539 41.487 39.000 -0.087 0.000 1.232 133 F HN 0.957 nan 8.300 nan 0.000 0.445 134 S N 1.872 117.603 115.700 0.052 0.000 2.537 134 S HA 0.798 5.268 4.470 0.000 0.000 0.271 134 S C -2.001 172.581 174.600 -0.031 0.000 1.148 134 S CA -0.782 57.417 58.200 -0.001 0.000 0.868 134 S CB 1.854 65.025 63.200 -0.049 0.000 1.115 134 S HN 0.444 nan 8.310 nan 0.000 0.461 135 L N 3.281 124.503 121.223 -0.001 0.000 2.384 135 L HA 0.504 4.844 4.340 0.000 0.000 0.261 135 L C 1.100 177.975 176.870 0.007 0.000 1.024 135 L CA -0.022 54.827 54.840 0.015 0.000 0.899 135 L CB 1.085 43.175 42.059 0.052 0.000 1.243 135 L HN 1.003 nan 8.230 nan 0.000 0.449 136 S N -0.847 114.852 115.700 -0.001 0.000 2.556 136 S HA 0.069 4.539 4.470 0.000 0.000 0.216 136 S C 1.223 175.873 174.600 0.083 0.000 0.970 136 S CA -0.320 57.886 58.200 0.009 0.000 0.912 136 S CB 0.027 63.224 63.200 -0.006 0.000 0.790 136 S HN 0.470 nan 8.310 nan 0.000 0.504 137 E N 2.020 122.302 120.200 0.137 0.000 2.114 137 E HA -0.144 4.206 4.350 0.000 0.000 0.199 137 E C 1.723 178.458 176.600 0.224 0.000 1.008 137 E CA 0.764 57.311 56.400 0.246 0.000 0.810 137 E CB -0.688 29.135 29.700 0.205 0.000 0.739 137 E HN 0.450 nan 8.360 nan 0.000 0.456 138 L N 0.874 122.170 121.223 0.122 0.000 2.349 138 L HA -0.118 4.222 4.340 0.000 0.000 0.220 138 L C 2.145 179.004 176.870 -0.017 0.000 1.130 138 L CA 0.984 55.866 54.840 0.071 0.000 0.791 138 L CB -0.494 41.575 42.059 0.017 0.000 0.918 138 L HN 0.091 nan 8.230 nan 0.000 0.444 139 L N -2.227 118.945 121.223 -0.084 0.000 2.201 139 L HA -0.178 4.162 4.340 0.000 0.000 0.212 139 L C 1.419 178.065 176.870 -0.374 0.000 1.105 139 L CA 0.983 55.626 54.840 -0.328 0.000 0.775 139 L CB -0.353 41.418 42.059 -0.481 0.000 0.913 139 L HN 0.197 nan 8.230 nan 0.000 0.440 140 F N -0.840 119.211 119.950 0.168 0.000 2.664 140 F HA 0.311 4.838 4.527 0.000 0.000 0.303 140 F C 1.635 177.544 175.800 0.181 0.000 1.092 140 F CA 0.419 58.603 58.000 0.307 0.000 1.305 140 F CB 0.273 39.459 39.000 0.310 0.000 1.054 140 F HN 0.081 nan 8.300 nan 0.000 0.565 141 G N 0.626 109.552 108.800 0.210 0.000 2.157 141 G HA2 -0.259 3.701 3.960 0.000 0.000 0.248 141 G HA3 -0.259 3.701 3.960 0.000 0.000 0.248 141 G C 0.080 175.081 174.900 0.168 0.000 0.979 141 G CA -0.077 45.116 45.100 0.155 0.000 0.650 141 G HN 0.263 nan 8.290 nan 0.000 0.529 142 L N -0.337 120.986 121.223 0.165 0.000 2.358 142 L HA 0.857 5.197 4.340 0.000 0.000 0.268 142 L C 0.186 177.164 176.870 0.180 0.000 1.032 142 L CA -1.688 53.163 54.840 0.019 0.000 0.805 142 L CB 1.431 43.423 42.059 -0.112 0.000 1.253 142 L HN 0.316 nan 8.230 nan 0.000 0.452 143 Y N -0.867 119.418 120.300 -0.024 0.000 2.441 143 Y HA 0.408 4.958 4.550 0.000 0.000 0.334 143 Y C -2.642 173.286 175.900 0.048 0.000 1.061 143 Y CA -2.916 55.200 58.100 0.026 0.000 1.032 143 Y CB 0.325 38.801 38.460 0.027 0.000 1.266 143 Y HN 0.313 nan 8.280 nan 0.000 0.441 144 P HA 0.015 nan 4.420 nan 0.000 0.232 144 P C 0.812 178.237 177.300 0.209 0.000 1.606 144 P CA 0.862 64.065 63.100 0.171 0.000 1.105 144 P CB 0.048 31.858 31.700 0.184 0.000 1.919 145 A N 1.042 123.938 122.820 0.127 0.000 1.927 145 A HA -0.246 4.074 4.320 0.000 0.000 0.220 145 A C 2.308 180.063 177.584 0.285 0.000 1.185 145 A CA 1.794 53.947 52.037 0.194 0.000 0.639 145 A CB -1.399 17.630 19.000 0.048 0.000 0.820 145 A HN 0.462 nan 8.150 nan 0.000 0.451 146 C N -1.540 117.970 119.300 0.350 0.000 2.435 146 C HA 0.002 4.462 4.460 0.000 0.000 0.279 146 C C 2.743 178.155 174.990 0.703 0.000 1.321 146 C CA 0.969 60.344 59.018 0.595 0.000 1.752 146 C CB -1.103 26.973 27.740 0.561 0.000 1.959 146 C HN 0.476 nan 8.230 nan 0.000 0.500 147 V N 0.390 120.591 119.914 0.477 0.000 2.488 147 V HA -0.125 3.995 4.120 0.000 0.000 0.246 147 V C 2.437 178.657 176.094 0.211 0.000 1.046 147 V CA 1.132 63.575 62.300 0.238 0.000 1.053 147 V CB -0.649 31.230 31.823 0.093 0.000 0.679 147 V HN 0.378 nan 8.190 nan 0.000 0.458 148 L N 0.184 121.531 121.223 0.206 0.000 2.010 148 L HA -0.177 4.163 4.340 0.000 0.000 0.219 148 L C 0.336 177.252 176.870 0.078 0.000 1.077 148 L CA 2.752 57.676 54.840 0.140 0.000 0.773 148 L CB -2.791 39.360 42.059 0.154 0.000 0.892 148 L HN 0.316 nan 8.230 nan 0.000 0.436 149 P HA -0.180 nan 4.420 nan 0.000 0.216 149 P C 1.763 178.908 177.300 -0.257 0.000 1.150 149 P CA 1.493 64.517 63.100 -0.127 0.000 0.843 149 P CB -0.068 31.529 31.700 -0.173 0.000 0.787 150 F N -1.775 118.156 119.950 -0.031 0.000 2.234 150 F HA -0.022 4.505 4.527 0.000 0.000 0.296 150 F C 2.176 177.922 175.800 -0.091 0.000 1.089 150 F CA 0.659 58.600 58.000 -0.098 0.000 1.343 150 F CB -1.317 37.553 39.000 -0.217 0.000 1.040 150 F HN -0.176 nan 8.300 nan 0.000 0.498 151 L N 0.452 121.727 121.223 0.086 0.000 2.056 151 L HA -0.121 4.219 4.340 0.000 0.000 0.207 151 L C 2.102 178.984 176.870 0.020 0.000 1.078 151 L CA 1.643 56.503 54.840 0.033 0.000 0.749 151 L CB -0.765 41.314 42.059 0.034 0.000 0.901 151 L HN 0.114 nan 8.230 nan 0.000 0.433 152 I N -0.490 120.087 120.570 0.011 0.000 2.208 152 I HA -0.342 3.828 4.170 0.000 0.000 0.245 152 I C 2.715 178.819 176.117 -0.022 0.000 1.097 152 I CA 1.574 62.867 61.300 -0.011 0.000 1.363 152 I CB -0.403 37.584 38.000 -0.021 0.000 1.051 152 I HN 0.352 nan 8.210 nan 0.000 0.413 153 R N 1.114 121.599 120.500 -0.025 0.000 2.120 153 R HA -0.152 4.188 4.340 0.000 0.000 0.234 153 R C 2.370 178.667 176.300 -0.006 0.000 1.123 153 R CA 1.340 57.425 56.100 -0.024 0.000 0.975 153 R CB -0.035 30.248 30.300 -0.028 0.000 0.866 153 R HN 0.323 nan 8.270 nan 0.000 0.446 154 R N 0.192 120.695 120.500 0.006 0.000 2.080 154 R HA 0.014 4.354 4.340 0.000 0.000 0.222 154 R C 2.211 178.517 176.300 0.009 0.000 1.107 154 R CA 1.592 57.698 56.100 0.010 0.000 0.980 154 R CB -0.036 30.267 30.300 0.005 0.000 0.879 154 R HN 0.423 nan 8.270 nan 0.000 0.439 155 I N -3.476 117.096 120.570 0.004 0.000 4.082 155 I HA 0.406 4.576 4.170 0.000 0.000 0.337 155 I C 0.337 176.418 176.117 -0.059 0.000 1.352 155 I CA 0.007 61.305 61.300 -0.003 0.000 1.097 155 I CB 0.923 38.950 38.000 0.044 0.000 1.048 155 I HN 0.134 nan 8.210 nan 0.000 0.393 156 G N 2.119 110.890 108.800 -0.049 0.000 2.699 156 G HA2 -0.176 3.784 3.960 0.000 0.000 0.686 156 G HA3 -0.176 3.784 3.960 0.000 0.000 0.686 156 G C 0.194 175.054 174.900 -0.067 0.000 1.301 156 G CA -0.245 44.815 45.100 -0.067 0.000 0.816 156 G HN 0.290 nan 8.290 nan 0.000 0.595 157 R N 0.082 120.541 120.500 -0.069 0.000 2.096 157 R HA -0.122 4.218 4.340 0.000 0.000 0.235 157 R C 2.567 178.837 176.300 -0.051 0.000 1.127 157 R CA 1.958 58.017 56.100 -0.067 0.000 0.968 157 R CB -0.221 30.023 30.300 -0.093 0.000 0.861 157 R HN 0.568 nan 8.270 nan 0.000 0.440 158 Q N 1.560 121.317 119.800 -0.071 0.000 2.016 158 Q HA -0.097 4.243 4.340 0.000 0.000 0.200 158 Q C 1.765 177.730 176.000 -0.058 0.000 0.978 158 Q CA 1.726 57.504 55.803 -0.043 0.000 0.833 158 Q CB 0.019 28.695 28.738 -0.102 0.000 0.895 158 Q HN 0.141 nan 8.270 nan 0.000 0.427 159 K N -0.254 120.018 120.400 -0.214 0.000 2.103 159 K HA -0.116 4.204 4.320 0.000 0.000 0.207 159 K C 1.999 178.538 176.600 -0.102 0.000 1.048 159 K CA 1.162 57.224 56.287 -0.375 0.000 0.930 159 K CB -0.258 31.816 32.500 -0.711 0.000 0.716 159 K HN 0.298 nan 8.250 nan 0.000 0.444 160 A N 0.892 123.703 122.820 -0.015 0.000 1.930 160 A HA -0.194 4.126 4.320 0.000 0.000 0.217 160 A C 1.981 179.641 177.584 0.127 0.000 1.175 160 A CA 1.255 53.332 52.037 0.067 0.000 0.627 160 A CB -0.714 18.317 19.000 0.051 0.000 0.815 160 A HN 0.384 nan 8.150 nan 0.000 0.443 161 H N -2.594 116.477 119.070 0.003 0.000 2.293 161 H HA -0.133 4.423 4.556 0.000 0.000 0.300 161 H C 1.064 176.426 175.328 0.056 0.000 1.082 161 H CA 1.227 57.284 56.048 0.014 0.000 1.308 161 H CB -0.224 29.536 29.762 -0.004 0.000 1.375 161 H HN 0.478 nan 8.280 nan 0.000 0.495 168 K N 1.881 122.230 120.400 -0.084 0.000 2.143 168 K HA 0.788 5.108 4.320 0.000 0.000 0.272 168 K C -3.066 173.518 176.600 -0.026 0.000 1.001 168 K CA -1.886 54.369 56.287 -0.054 0.000 0.915 168 K CB -0.220 32.244 32.500 -0.060 0.000 1.047 168 K HN 0.009 nan 8.250 nan 0.000 0.458 169 P HA 0.142 nan 4.420 nan 0.000 0.272 169 P C -0.578 176.711 177.300 -0.019 0.000 1.223 169 P CA -0.427 62.668 63.100 -0.009 0.000 0.784 169 P CB 0.421 32.110 31.700 -0.018 0.000 0.923 170 I N -1.803 118.760 120.570 -0.012 0.000 2.740 170 I HA 0.664 4.834 4.170 0.000 0.000 0.303 170 I C 0.019 176.103 176.117 -0.055 0.000 1.044 170 I CA -0.993 60.246 61.300 -0.101 0.000 1.064 170 I CB 2.318 40.144 38.000 -0.289 0.000 1.249 170 I HN 0.292 nan 8.210 nan 0.000 0.433 171 S N 3.079 118.696 115.700 -0.137 0.000 2.681 171 S HA 0.337 4.807 4.470 0.000 0.000 0.270 171 S C 1.176 175.691 174.600 -0.141 0.000 1.209 171 S CA -0.235 57.892 58.200 -0.121 0.000 0.988 171 S CB 1.556 64.668 63.200 -0.145 0.000 1.006 171 S HN 0.692 nan 8.310 nan 0.000 0.558 172 V N -0.261 119.542 119.914 -0.186 0.000 2.490 172 V HA -0.158 3.962 4.120 0.000 0.000 0.250 172 V C 2.496 178.200 176.094 -0.651 0.000 1.061 172 V CA 1.679 63.766 62.300 -0.356 0.000 1.064 172 V CB -1.770 29.695 31.823 -0.595 0.000 0.670 172 V HN 0.761 nan 8.190 nan 0.000 0.461 173 Q N 0.910 120.385 119.800 -0.541 0.000 2.050 173 Q HA -0.170 4.170 4.340 0.000 0.000 0.202 173 Q C 2.290 178.091 176.000 -0.330 0.000 0.980 173 Q CA 2.255 57.825 55.803 -0.390 0.000 0.840 173 Q CB -0.427 28.202 28.738 -0.181 0.000 0.898 173 Q HN 0.777 nan 8.270 nan 0.000 0.424 174 E N -0.028 119.923 120.200 -0.415 0.000 2.046 174 E HA -0.113 4.237 4.350 0.000 0.000 0.190 174 E C 2.004 178.113 176.600 -0.818 0.000 0.982 174 E CA 0.758 56.736 56.400 -0.703 0.000 0.800 174 E CB -0.247 28.906 29.700 -0.912 0.000 0.756 174 E HN 0.364 nan 8.360 nan 0.000 0.449 175 A N 1.181 123.640 122.820 -0.602 0.000 1.903 175 A HA -0.289 4.031 4.320 0.000 0.000 0.219 175 A C 2.304 179.711 177.584 -0.295 0.000 1.191 175 A CA 2.166 53.909 52.037 -0.489 0.000 0.638 175 A CB -0.811 17.881 19.000 -0.514 0.000 0.823 175 A HN 0.243 nan 8.150 nan 0.000 0.451 176 S N -0.751 114.792 115.700 -0.261 0.000 2.368 176 S HA -0.174 4.296 4.470 0.000 0.000 0.224 176 S C 1.900 176.508 174.600 0.013 0.000 1.029 176 S CA 1.571 59.722 58.200 -0.081 0.000 0.988 176 S CB -0.377 62.814 63.200 -0.015 0.000 0.838 176 S HN 0.663 nan 8.310 nan 0.000 0.462 177 E N -0.443 119.753 120.200 -0.007 0.000 2.110 177 E HA -0.136 4.214 4.350 0.000 0.000 0.193 177 E C 1.611 178.381 176.600 0.283 0.000 0.988 177 E CA 1.227 57.701 56.400 0.123 0.000 0.804 177 E CB -0.173 29.603 29.700 0.126 0.000 0.745 177 E HN 0.652 nan 8.360 nan 0.000 0.458 178 W N -0.062 121.212 121.300 -0.042 0.000 2.595 178 W HA 0.164 4.824 4.660 0.000 0.000 0.257 178 W C 1.468 177.955 176.519 -0.052 0.000 1.267 178 W CA 1.093 58.410 57.345 -0.046 0.000 1.300 178 W CB -0.429 28.995 29.460 -0.060 0.000 1.120 178 W HN 0.213 nan 8.180 nan 0.000 0.618 179 G N 0.167 109.061 108.800 0.156 0.000 2.132 179 G HA2 -0.301 3.659 3.960 0.000 0.000 0.234 179 G HA3 -0.301 3.659 3.960 0.000 0.000 0.234 179 G C 0.734 175.645 174.900 0.018 0.000 0.989 179 G CA 0.210 45.353 45.100 0.073 0.000 0.676 179 G HN 0.296 nan 8.290 nan 0.000 0.522 180 L N -0.585 120.618 121.223 -0.034 0.000 2.270 180 L HA 0.609 4.949 4.340 0.000 0.000 0.210 180 L C 0.840 177.589 176.870 -0.203 0.000 1.104 180 L CA 0.995 55.743 54.840 -0.153 0.000 0.804 180 L CB 0.129 41.999 42.059 -0.314 0.000 0.937 180 L HN 0.290 nan 8.230 nan 0.000 0.450 181 I N -0.459 120.012 120.570 -0.165 0.000 2.498 181 I HA 0.234 4.404 4.170 0.000 0.000 0.290 181 I C 0.735 176.856 176.117 0.007 0.000 1.032 181 I CA -0.205 61.036 61.300 -0.098 0.000 1.073 181 I CB 1.674 39.606 38.000 -0.114 0.000 1.251 181 I HN 0.018 nan 8.210 nan 0.000 0.426 182 D N 5.405 125.825 120.400 0.033 0.000 2.234 182 D HA 0.181 4.821 4.640 0.000 0.000 0.205 182 D C 0.200 176.574 176.300 0.123 0.000 0.962 182 D CA 0.760 54.804 54.000 0.075 0.000 0.855 182 D CB 0.499 41.343 40.800 0.073 0.000 0.951 182 D HN 0.493 nan 8.370 nan 0.000 0.500 183 A N 0.134 123.038 122.820 0.139 0.000 2.582 183 A HA 0.482 4.802 4.320 0.000 0.000 0.297 183 A C -1.506 176.219 177.584 0.236 0.000 1.059 183 A CA -0.879 51.268 52.037 0.182 0.000 0.705 183 A CB 0.675 19.778 19.000 0.173 0.000 1.279 183 A HN 0.069 nan 8.150 nan 0.000 0.404 184 F N 0.292 120.263 119.950 0.035 0.000 2.664 184 F HA 0.979 5.506 4.527 0.000 0.000 0.317 184 F C -0.919 174.905 175.800 0.040 0.000 1.108 184 F CA -0.839 57.182 58.000 0.036 0.000 0.957 184 F CB 1.648 40.672 39.000 0.040 0.000 1.365 184 F HN 0.688 nan 8.300 nan 0.000 0.475 185 D N 0.012 120.373 120.400 -0.065 0.000 2.783 185 D HA 0.315 4.955 4.640 0.000 0.000 0.253 185 D C 0.228 176.550 176.300 0.037 0.000 1.206 185 D CA 0.107 54.015 54.000 -0.154 0.000 0.740 185 D CB 2.286 43.012 40.800 -0.124 0.000 1.313 185 D HN 0.913 nan 8.370 nan 0.000 0.427 186 A N 2.171 125.005 122.820 0.023 0.000 1.917 186 A HA -0.148 4.173 4.320 0.000 0.000 0.219 186 A C 0.889 178.508 177.584 0.057 0.000 1.182 186 A CA 1.454 53.525 52.037 0.057 0.000 0.633 186 A CB -0.267 18.754 19.000 0.034 0.000 0.819 186 A HN 0.533 nan 8.150 nan 0.000 0.448 187 E N 0.687 120.909 120.200 0.037 0.000 2.069 187 E HA 0.215 4.565 4.350 0.000 0.000 0.254 187 E C 0.919 177.552 176.600 0.055 0.000 1.088 187 E CA 0.218 56.644 56.400 0.044 0.000 1.017 187 E CB 0.406 30.120 29.700 0.023 0.000 1.226 187 E HN 0.655 nan 8.360 nan 0.000 0.458 188 S N 1.465 117.229 115.700 0.106 0.000 2.442 188 S HA -0.191 4.279 4.470 0.000 0.000 0.236 188 S C 1.219 175.823 174.600 0.006 0.000 1.007 188 S CA 0.795 59.068 58.200 0.121 0.000 0.965 188 S CB 0.094 63.507 63.200 0.355 0.000 0.773 188 S HN 0.369 nan 8.310 nan 0.000 0.504 189 D N 1.622 122.062 120.400 0.066 0.000 2.117 189 D HA -0.035 4.605 4.640 0.000 0.000 0.198 189 D C 2.098 178.393 176.300 -0.009 0.000 0.982 189 D CA 1.274 55.289 54.000 0.025 0.000 0.828 189 D CB -0.205 40.634 40.800 0.066 0.000 0.967 189 D HN 0.383 nan 8.370 nan 0.000 0.464 190 V N 1.352 121.271 119.914 0.009 0.000 2.453 190 V HA -0.181 3.940 4.120 0.000 0.000 0.247 190 V C 2.456 178.562 176.094 0.020 0.000 1.048 190 V CA 0.781 63.088 62.300 0.012 0.000 1.049 190 V CB -0.382 31.447 31.823 0.011 0.000 0.672 190 V HN 0.097 nan 8.190 nan 0.000 0.457 191 L N -0.057 121.177 121.223 0.018 0.000 2.017 191 L HA -0.113 4.227 4.340 0.000 0.000 0.208 191 L C 2.206 179.140 176.870 0.108 0.000 1.073 191 L CA 1.865 56.746 54.840 0.069 0.000 0.745 191 L CB -0.723 41.356 42.059 0.033 0.000 0.894 191 L HN 0.294 nan 8.230 nan 0.000 0.432 192 L N -0.434 120.744 121.223 -0.075 0.000 2.046 192 L HA -0.162 4.178 4.340 0.000 0.000 0.208 192 L C 2.634 179.523 176.870 0.033 0.000 1.077 192 L CA 1.660 56.430 54.840 -0.117 0.000 0.747 192 L CB -0.712 41.145 42.059 -0.335 0.000 0.896 192 L HN 0.243 nan 8.230 nan 0.000 0.432 193 R N -0.481 120.038 120.500 0.031 0.000 2.115 193 R HA -0.128 4.212 4.340 0.000 0.000 0.230 193 R C 2.197 178.531 176.300 0.056 0.000 1.111 193 R CA 1.260 57.390 56.100 0.051 0.000 0.976 193 R CB -0.196 30.124 30.300 0.034 0.000 0.870 193 R HN 0.448 nan 8.270 nan 0.000 0.445 194 K N -0.548 119.893 120.400 0.067 0.000 2.057 194 K HA -0.142 4.179 4.320 0.000 0.000 0.206 194 K C 1.881 178.471 176.600 -0.017 0.000 1.050 194 K CA 1.421 57.718 56.287 0.016 0.000 0.935 194 K CB -0.138 32.356 32.500 -0.009 0.000 0.715 194 K HN 0.289 nan 8.250 nan 0.000 0.439 195 H N 0.707 119.766 119.070 -0.018 0.000 2.357 195 H HA -0.002 4.554 4.556 0.000 0.000 0.301 195 H C 1.946 177.270 175.328 -0.006 0.000 1.082 195 H CA 1.099 57.140 56.048 -0.012 0.000 1.342 195 H CB -0.159 29.595 29.762 -0.014 0.000 1.389 195 H HN 0.015 nan 8.280 nan 0.000 0.511 196 L N -0.396 120.898 121.223 0.120 0.000 2.131 196 L HA -0.145 4.195 4.340 0.000 0.000 0.210 196 L C 2.183 179.077 176.870 0.041 0.000 1.092 196 L CA 0.444 55.322 54.840 0.065 0.000 0.759 196 L CB -0.320 41.775 42.059 0.061 0.000 0.903 196 L HN 0.226 nan 8.230 nan 0.000 0.435 197 L N 0.137 121.378 121.223 0.031 0.000 1.961 197 L HA -0.212 4.128 4.340 0.000 0.000 0.210 197 L C 2.805 179.675 176.870 0.000 0.000 1.072 197 L CA 1.802 56.649 54.840 0.012 0.000 0.749 197 L CB -0.449 41.610 42.059 0.000 0.000 0.889 197 L HN 0.075 nan 8.230 nan 0.000 0.432 198 R N -0.689 119.800 120.500 -0.018 0.000 2.091 198 R HA -0.148 4.192 4.340 0.000 0.000 0.238 198 R C 2.279 178.574 176.300 -0.008 0.000 1.136 198 R CA 1.753 57.837 56.100 -0.027 0.000 0.959 198 R CB -0.662 29.602 30.300 -0.059 0.000 0.856 198 R HN 0.408 nan 8.270 nan 0.000 0.437 199 L N 0.055 121.284 121.223 0.011 0.000 2.191 199 L HA -0.153 4.187 4.340 0.000 0.000 0.212 199 L C 2.559 179.441 176.870 0.020 0.000 1.103 199 L CA 1.054 55.908 54.840 0.024 0.000 0.769 199 L CB -0.338 41.748 42.059 0.045 0.000 0.908 199 L HN 0.158 nan 8.230 nan 0.000 0.438 200 R N 0.307 120.818 120.500 0.017 0.000 2.193 200 R HA -0.117 4.223 4.340 0.000 0.000 0.229 200 R C 2.252 178.559 176.300 0.011 0.000 1.110 200 R CA 0.894 57.004 56.100 0.017 0.000 0.988 200 R CB 0.009 30.320 30.300 0.018 0.000 0.871 200 R HN 0.340 nan 8.270 nan 0.000 0.458 201 R N -0.202 120.301 120.500 0.004 0.000 2.285 201 R HA 0.012 4.352 4.340 0.000 0.000 0.213 201 R C 0.276 176.575 176.300 -0.002 0.000 1.068 201 R CA 0.441 56.540 56.100 -0.002 0.000 1.004 201 R CB -0.084 30.210 30.300 -0.010 0.000 0.873 201 R HN 0.140 nan 8.270 nan 0.000 0.467 202 L N 1.440 122.664 121.223 0.003 0.000 2.399 202 L HA 0.240 4.580 4.340 0.000 0.000 0.265 202 L C -0.026 176.849 176.870 0.010 0.000 1.089 202 L CA -1.108 53.734 54.840 0.003 0.000 0.802 202 L CB 0.941 43.005 42.059 0.008 0.000 1.180 202 L HN 0.089 nan 8.230 nan 0.000 0.454 203 N N -0.735 117.967 118.700 0.004 0.000 2.443 203 N HA 0.234 4.974 4.740 0.000 0.000 0.293 203 N C 0.210 175.718 175.510 -0.003 0.000 1.159 203 N CA -0.946 52.105 53.050 0.001 0.000 0.904 203 N CB 1.541 40.023 38.487 -0.008 0.000 1.214 203 N HN 0.508 nan 8.380 nan 0.000 0.513 204 K N 0.305 120.704 120.400 -0.002 0.000 2.097 204 K HA -0.136 4.184 4.320 0.000 0.000 0.206 204 K C 0.948 177.505 176.600 -0.072 0.000 1.049 204 K CA 1.436 57.720 56.287 -0.006 0.000 0.933 204 K CB 0.017 32.526 32.500 0.014 0.000 0.717 204 K HN 0.470 nan 8.250 nan 0.000 0.442 205 K N -0.396 119.929 120.400 -0.125 0.000 2.057 205 K HA -0.035 4.286 4.320 0.000 0.000 0.206 205 K C 1.976 178.350 176.600 -0.377 0.000 1.050 205 K CA 1.330 57.427 56.287 -0.318 0.000 0.935 205 K CB -0.520 31.808 32.500 -0.286 0.000 0.715 205 K HN 0.321 nan 8.250 nan 0.000 0.439 206 G N 0.804 109.519 108.800 -0.141 0.000 2.418 206 G HA2 -0.213 3.747 3.960 0.000 0.000 0.217 206 G HA3 -0.213 3.747 3.960 0.000 0.000 0.217 206 G C 1.561 176.491 174.900 0.049 0.000 1.158 206 G CA 0.771 45.855 45.100 -0.026 0.000 0.771 206 G HN 0.179 nan 8.290 nan 0.000 0.545 207 I N 1.288 121.879 120.570 0.036 0.000 2.179 207 I HA -0.164 4.007 4.170 0.000 0.000 0.242 207 I C 3.298 179.473 176.117 0.097 0.000 1.088 207 I CA 0.947 62.313 61.300 0.109 0.000 1.357 207 I CB -0.217 37.828 38.000 0.076 0.000 1.051 207 I HN 0.250 nan 8.210 nan 0.000 0.409 208 A N 0.281 123.094 122.820 -0.011 0.000 1.858 208 A HA -0.258 4.062 4.320 0.000 0.000 0.216 208 A C 2.115 179.761 177.584 0.103 0.000 1.190 208 A CA 1.796 53.822 52.037 -0.019 0.000 0.617 208 A CB -1.288 17.660 19.000 -0.088 0.000 0.827 208 A HN 0.475 nan 8.150 nan 0.000 0.443 209 H N -3.150 115.964 119.070 0.073 0.000 2.352 209 H HA -0.194 4.362 4.556 0.000 0.000 0.299 209 H C 2.105 177.515 175.328 0.138 0.000 1.097 209 H CA 1.696 57.797 56.048 0.087 0.000 1.311 209 H CB -0.224 29.581 29.762 0.071 0.000 1.377 209 H HN 0.679 nan 8.280 nan 0.000 0.504 210 Y N 2.204 122.611 120.300 0.179 0.000 2.114 210 Y HA -0.202 4.348 4.550 0.000 0.000 0.284 210 Y C 2.066 178.079 175.900 0.188 0.000 1.143 210 Y CA 1.424 59.619 58.100 0.158 0.000 1.135 210 Y CB -0.168 38.351 38.460 0.097 0.000 0.980 210 Y HN -0.075 nan 8.280 nan 0.000 0.499 211 K N -0.033 120.279 120.400 -0.147 0.000 2.147 211 K HA -0.219 4.102 4.320 0.000 0.000 0.205 211 K C 2.056 178.578 176.600 -0.129 0.000 1.049 211 K CA 1.817 57.957 56.287 -0.245 0.000 0.936 211 K CB -0.217 32.231 32.500 -0.086 0.000 0.722 211 K HN 0.556 nan 8.250 nan 0.000 0.446 212 Q N -0.186 119.612 119.800 -0.003 0.000 2.167 212 Q HA -0.077 4.263 4.340 0.000 0.000 0.202 212 Q C 0.930 176.956 176.000 0.044 0.000 0.970 212 Q CA 0.573 56.397 55.803 0.035 0.000 0.855 212 Q CB -0.086 28.709 28.738 0.095 0.000 0.911 212 Q HN 0.165 nan 8.270 nan 0.000 0.438 216 S N 1.889 117.454 115.700 -0.226 0.000 2.489 216 S HA 0.214 4.684 4.470 0.000 0.000 0.228 216 S C 1.548 175.919 174.600 -0.381 0.000 0.995 216 S CA 0.364 58.473 58.200 -0.152 0.000 0.934 216 S CB -0.391 62.773 63.200 -0.059 0.000 0.771 216 S HN 0.435 nan 8.310 nan 0.000 0.522 217 L N 0.682 121.596 121.223 -0.515 0.000 2.209 217 L HA 0.234 4.574 4.340 0.000 0.000 0.207 217 L C 0.499 177.087 176.870 -0.470 0.000 1.094 217 L CA 0.748 55.312 54.840 -0.460 0.000 0.790 217 L CB -0.193 41.580 42.059 -0.477 0.000 0.932 217 L HN 0.328 nan 8.230 nan 0.000 0.447 218 D N -1.538 118.523 120.400 -0.566 0.000 2.505 218 D HA 0.209 4.849 4.640 0.000 0.000 0.249 218 D C 0.079 176.013 176.300 -0.611 0.000 1.082 218 D CA -0.301 53.422 54.000 -0.461 0.000 0.839 218 D CB 0.855 41.506 40.800 -0.249 0.000 1.317 218 D HN 0.010 nan 8.370 nan 0.000 0.497 219 H N 2.813 121.847 119.070 -0.061 0.000 2.767 219 H HA 0.050 4.606 4.556 0.000 0.000 0.260 219 H C 1.231 176.534 175.328 -0.042 0.000 1.172 219 H CA 0.182 56.204 56.048 -0.044 0.000 1.048 219 H CB 0.574 30.314 29.762 -0.037 0.000 1.697 219 H HN 0.609 nan 8.280 nan 0.000 0.606 220 Q N 0.479 120.279 119.800 0.001 0.000 2.061 220 Q HA -0.092 4.248 4.340 0.000 0.000 0.204 220 Q C 1.455 177.433 176.000 -0.037 0.000 0.984 220 Q CA 1.984 57.774 55.803 -0.022 0.000 0.846 220 Q CB -0.474 28.229 28.738 -0.058 0.000 0.902 220 Q HN 0.045 nan 8.270 nan 0.000 0.421 221 V N 1.215 121.076 119.914 -0.089 0.000 2.287 221 V HA -0.278 3.842 4.120 0.000 0.000 0.248 221 V C 2.602 178.730 176.094 0.057 0.000 1.053 221 V CA 2.001 64.201 62.300 -0.166 0.000 1.027 221 V CB -0.709 30.918 31.823 -0.328 0.000 0.646 221 V HN 0.587 nan 8.190 nan 0.000 0.447 222 S N -0.678 115.081 115.700 0.099 0.000 2.399 222 S HA -0.188 4.282 4.470 0.000 0.000 0.231 222 S C 2.111 176.758 174.600 0.079 0.000 1.022 222 S CA 1.524 59.809 58.200 0.141 0.000 0.983 222 S CB -0.224 63.058 63.200 0.137 0.000 0.803 222 S HN 0.583 nan 8.310 nan 0.000 0.480 223 R N 0.449 120.981 120.500 0.054 0.000 2.148 223 R HA 0.203 4.543 4.340 0.000 0.000 0.223 223 R C 2.468 178.768 176.300 -0.001 0.000 1.088 223 R CA 1.050 57.160 56.100 0.017 0.000 0.985 223 R CB -0.336 29.975 30.300 0.018 0.000 0.880 223 R HN 0.445 nan 8.270 nan 0.000 0.451 224 A N 1.241 124.071 122.820 0.016 0.000 1.970 224 A HA -0.118 4.203 4.320 0.000 0.000 0.216 224 A C 1.906 179.440 177.584 -0.085 0.000 1.170 224 A CA 0.938 52.980 52.037 0.008 0.000 0.645 224 A CB -0.260 18.773 19.000 0.055 0.000 0.816 224 A HN 0.212 nan 8.150 nan 0.000 0.447 225 K N 0.066 120.348 120.400 -0.196 0.000 2.044 225 K HA -0.305 4.015 4.320 0.000 0.000 0.224 225 K C 2.110 178.445 176.600 -0.442 0.000 1.056 225 K CA 2.111 57.955 56.287 -0.739 0.000 0.962 225 K CB -0.471 31.716 32.500 -0.522 0.000 0.730 225 K HN 0.379 nan 8.250 nan 0.000 0.453 226 A N 0.278 122.964 122.820 -0.222 0.000 1.865 226 A HA -0.185 4.135 4.320 0.000 0.000 0.217 226 A C 2.260 179.784 177.584 -0.101 0.000 1.191 226 A CA 2.538 54.492 52.037 -0.138 0.000 0.623 226 A CB -1.240 17.711 19.000 -0.082 0.000 0.826 226 A HN 0.593 nan 8.150 nan 0.000 0.444 227 T N 0.525 115.036 114.554 -0.072 0.000 2.684 227 T HA -0.091 4.259 4.350 0.000 0.000 0.267 227 T C 2.215 176.907 174.700 -0.013 0.000 1.036 227 T CA 1.906 63.990 62.100 -0.026 0.000 1.148 227 T CB -0.634 68.232 68.868 -0.003 0.000 0.863 227 T HN 0.643 nan 8.240 nan 0.000 0.436 228 A N 1.599 124.397 122.820 -0.036 0.000 1.851 228 A HA -0.049 4.271 4.320 0.000 0.000 0.216 228 A C 2.372 179.943 177.584 -0.021 0.000 1.195 228 A CA 1.479 53.520 52.037 0.008 0.000 0.622 228 A CB -1.044 17.976 19.000 0.035 0.000 0.831 228 A HN 0.481 nan 8.150 nan 0.000 0.444 229 L N -0.713 120.449 121.223 -0.102 0.000 2.013 229 L HA -0.217 4.123 4.340 0.000 0.000 0.212 229 L C 2.829 179.682 176.870 -0.029 0.000 1.073 229 L CA 1.931 56.730 54.840 -0.069 0.000 0.753 229 L CB -1.332 40.658 42.059 -0.115 0.000 0.890 229 L HN 0.389 nan 8.230 nan 0.000 0.432 230 T N 0.074 114.609 114.554 -0.031 0.000 2.652 230 T HA -0.226 4.124 4.350 0.000 0.000 0.267 230 T C 2.046 176.746 174.700 0.000 0.000 1.039 230 T CA 1.542 63.635 62.100 -0.010 0.000 1.153 230 T CB -0.344 68.520 68.868 -0.006 0.000 0.863 230 T HN 0.474 nan 8.240 nan 0.000 0.428 231 A N 2.381 125.206 122.820 0.007 0.000 1.883 231 A HA -0.200 4.120 4.320 0.000 0.000 0.217 231 A C 2.272 179.794 177.584 -0.104 0.000 1.186 231 A CA 1.828 53.862 52.037 -0.005 0.000 0.624 231 A CB -0.942 18.100 19.000 0.070 0.000 0.822 231 A HN 0.517 nan 8.150 nan 0.000 0.444 232 N N -0.483 118.175 118.700 -0.071 0.000 2.192 232 N HA -0.204 4.536 4.740 0.000 0.000 0.188 232 N C 1.764 177.301 175.510 0.045 0.000 1.013 232 N CA 1.649 54.678 53.050 -0.034 0.000 0.863 232 N CB -0.237 38.299 38.487 0.081 0.000 0.990 232 N HN 0.539 nan 8.380 nan 0.000 0.430 233 Q N 0.855 120.675 119.800 0.034 0.000 1.809 233 Q HA -0.070 4.270 4.340 0.000 0.000 0.269 233 Q C 0.178 176.198 176.000 0.034 0.000 0.984 233 Q CA 0.807 56.642 55.803 0.053 0.000 0.885 233 Q CB -1.072 27.681 28.738 0.025 0.000 0.933 233 Q HN 0.399 nan 8.270 nan 0.000 0.422 237 S N 0.128 115.897 115.700 0.115 0.000 2.486 237 S HA 0.336 4.806 4.470 0.000 0.000 0.144 237 S C -1.449 173.179 174.600 0.046 0.000 1.542 237 S CA -0.453 57.788 58.200 0.069 0.000 1.262 237 S CB 1.024 64.256 63.200 0.053 0.000 1.462 237 S HN 0.218 nan 8.310 nan 0.000 0.381 238 D N 2.104 122.533 120.400 0.049 0.000 2.891 238 D HA 0.274 4.915 4.640 0.000 0.000 0.224 238 D C -2.152 174.179 176.300 0.052 0.000 1.321 238 D CA -1.644 52.382 54.000 0.044 0.000 0.929 238 D CB 2.673 43.498 40.800 0.042 0.000 1.551 238 D HN 0.132 nan 8.370 nan 0.000 0.574 239 P HA -0.263 nan 4.420 nan 0.000 0.217 239 P C 1.208 178.548 177.300 0.067 0.000 1.162 239 P CA 1.486 64.616 63.100 0.049 0.000 0.901 239 P CB 0.623 32.348 31.700 0.042 0.000 0.793 240 Q N -0.236 119.609 119.800 0.076 0.000 2.002 240 Q HA -0.123 4.217 4.340 0.000 0.000 0.204 240 Q C 2.296 178.376 176.000 0.134 0.000 0.988 240 Q CA 1.740 57.605 55.803 0.104 0.000 0.843 240 Q CB -0.944 27.855 28.738 0.103 0.000 0.908 240 Q HN 0.280 nan 8.270 nan 0.000 0.420 241 N N 0.105 118.878 118.700 0.123 0.000 2.149 241 N HA -0.128 4.612 4.740 0.000 0.000 0.188 241 N C 0.708 176.289 175.510 0.118 0.000 1.019 241 N CA 0.549 53.683 53.050 0.140 0.000 0.857 241 N CB -0.238 38.294 38.487 0.076 0.000 0.997 241 N HN 0.244 nan 8.380 nan 0.000 0.426 245 I N 1.507 122.161 120.570 0.140 0.000 2.202 245 I HA 0.002 4.172 4.170 0.000 0.000 0.242 245 I C 2.632 178.821 176.117 0.120 0.000 1.091 245 I CA 1.081 62.405 61.300 0.039 0.000 1.368 245 I CB -0.250 37.668 38.000 -0.136 0.000 1.058 245 I HN 0.157 nan 8.210 nan 0.000 0.410 246 I N 0.222 120.871 120.570 0.132 0.000 2.226 246 I HA -0.278 3.892 4.170 0.000 0.000 0.245 246 I C 2.705 178.874 176.117 0.086 0.000 1.100 246 I CA 1.107 62.528 61.300 0.201 0.000 1.374 246 I CB -0.465 37.681 38.000 0.242 0.000 1.057 246 I HN 0.224 nan 8.210 nan 0.000 0.413 247 R N 0.115 120.655 120.500 0.067 0.000 2.189 247 R HA -0.188 4.152 4.340 0.000 0.000 0.218 247 R C 2.161 178.478 176.300 0.027 0.000 1.074 247 R CA 1.257 57.371 56.100 0.023 0.000 0.991 247 R CB -0.283 30.010 30.300 -0.012 0.000 0.883 247 R HN 0.394 nan 8.270 nan 0.000 0.457 248 Y N 0.372 120.646 120.300 -0.042 0.000 2.269 248 Y HA -0.002 4.548 4.550 0.000 0.000 0.294 248 Y C 0.902 176.772 175.900 -0.050 0.000 1.120 248 Y CA 0.696 58.806 58.100 0.016 0.000 1.159 248 Y CB 0.182 38.761 38.460 0.198 0.000 1.024 248 Y HN -0.261 nan 8.280 nan 0.000 0.532 249 V N 2.715 122.484 119.914 -0.242 0.000 1.984 249 V HA 0.099 4.219 4.120 0.000 0.000 0.272 249 V C 0.027 175.814 176.094 -0.511 0.000 1.706 249 V CA 1.068 63.077 62.300 -0.486 0.000 1.644 249 V CB -0.964 30.515 31.823 -0.574 0.000 1.509 249 V HN 0.511 nan 8.190 nan 0.000 0.511 250 E N -0.335 119.656 120.200 -0.349 0.000 1.631 250 E HA -0.019 4.331 4.350 0.000 0.000 0.211 250 E C 1.035 177.536 176.600 -0.165 0.000 1.030 250 E CA 0.844 57.114 56.400 -0.218 0.000 1.203 250 E CB 0.762 30.387 29.700 -0.125 0.000 4.325 250 E HN 0.759 nan 8.360 nan 0.000 0.835 251 T N -2.332 112.116 114.554 -0.177 0.000 2.168 251 T HA 0.598 4.948 4.350 0.000 0.000 0.169 251 T C 0.342 174.960 174.700 -0.136 0.000 0.707 251 T CA -0.019 62.010 62.100 -0.118 0.000 1.189 251 T CB 1.139 69.980 68.868 -0.046 0.000 2.706 251 T HN 0.102 nan 8.240 nan 0.000 0.405 252 G N 1.638 110.440 108.800 0.004 0.000 2.612 252 G HA2 0.572 4.532 3.960 0.000 0.000 0.298 252 G HA3 0.572 4.532 3.960 0.000 0.000 0.298 252 G C -1.001 174.078 174.900 0.298 0.000 1.336 252 G CA -0.858 44.342 45.100 0.166 0.000 0.953 252 G HN 0.845 nan 8.290 nan 0.000 0.482 253 Q N 1.625 121.750 119.800 0.542 0.000 2.330 253 Q HA 0.073 4.413 4.340 0.000 0.000 0.279 253 Q C 0.783 176.967 176.000 0.306 0.000 1.024 253 Q CA -0.229 55.726 55.803 0.253 0.000 0.900 253 Q CB 0.483 29.282 28.738 0.102 0.000 1.221 253 Q HN 0.478 nan 8.270 nan 0.000 0.396 254 F N 2.219 122.201 119.950 0.053 0.000 2.240 254 F HA -0.120 4.407 4.527 0.000 0.000 0.311 254 F C -0.975 174.811 175.800 -0.022 0.000 1.441 254 F CA 0.231 58.240 58.000 0.016 0.000 1.247 254 F CB -3.166 35.837 39.000 0.004 0.000 0.885 254 F HN 0.535 nan 8.300 nan 0.000 0.597 255 P HA 0.000 nan 4.420 nan 0.000 0.216 255 P CA 0.000 63.091 63.100 -0.015 0.000 0.800 255 P CB 0.000 31.638 31.700 -0.103 0.000 0.726