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 3h0l_1_B DATA FIRST_RESID 3 DATA SEQUENCE EKYEAVIGLE IHVQMDTKTK MFCGCKVEFG AEPNTNVCPV CLGMPGALPI DATA SEQUENCE VNKRAVEYAI RASLALNCEV HEESVFARKH YFYPDLPKGY QISQYEKPLA DATA SEQUENCE TNGWVELNLP NGEKKKVRIR RLHIEEDAGK NIHEGDKTLV DLNRAGTPLM DATA SEQUENCE EIVTEPDIRT PEEARLFLEK LRNIMRYAGV SKADMEKGQL RCDINVSIRP DATA SEQUENCE KGSKEFGTRV EIKNVNSFRF VQKALEYEIE RQINVVEEGG EVVQETRTFD DATA SEQUENCE PQTGKTYPMR TKEEAEDYRY FPDPDLVPLK VKKEWIEEIK KNMPELPDQR DATA SEQUENCE FERLIKEYGL SEYEAGILVN HKEVGDFFEE AVRHFKEPKG IVNWLINDLL DATA SEQUENCE GLLRDKGISI EESPVKPEHL AELVKLIKEK VISTKIGKEV IKEMVETGKT DATA SEQUENCE PSQIVEEKGL VARS RESID RESNAME ATOMNAME SS_SHIFT SHIFT RC_SHIFT HM_SHIFT EF_SHIFT SIGMA FORMAT %4d %4s %4s %9.3f %9.3f %9.3f %9.3f %9.3f %9.3f 3 E HA 0.000 nan 4.350 nan 0.000 0.291 3 E C 0.000 176.566 176.600 -0.056 0.000 1.382 3 E CA 0.000 56.397 56.400 -0.005 0.000 0.976 3 E CB 0.000 29.718 29.700 0.030 0.000 0.812 4 K N 1.639 121.966 120.400 -0.122 0.000 2.155 4 K HA 0.007 4.328 4.320 0.001 0.000 0.203 4 K C 0.254 176.600 176.600 -0.424 0.000 1.052 4 K CA 1.021 57.106 56.287 -0.337 0.000 0.948 4 K CB -0.010 32.151 32.500 -0.565 0.000 0.728 4 K HN 0.360 nan 8.250 nan 0.000 0.448 5 Y N 0.551 120.834 120.300 -0.027 0.000 2.593 5 Y HA 0.335 4.885 4.550 0.001 0.000 0.330 5 Y C -0.014 175.866 175.900 -0.033 0.000 1.223 5 Y CA -1.081 57.000 58.100 -0.031 0.000 1.350 5 Y CB 1.060 39.502 38.460 -0.029 0.000 1.499 5 Y HN -0.110 nan 8.280 nan 0.000 0.554 6 E N 0.240 120.544 120.200 0.173 0.000 2.304 6 E HA 0.664 5.015 4.350 0.001 0.000 0.277 6 E C -1.821 174.811 176.600 0.054 0.000 0.898 6 E CA -0.892 55.548 56.400 0.067 0.000 0.764 6 E CB 1.518 31.229 29.700 0.018 0.000 1.216 6 E HN 0.726 nan 8.360 nan 0.000 0.419 7 A N 3.109 125.947 122.820 0.029 0.000 2.309 7 A HA 0.552 4.873 4.320 0.001 0.000 0.298 7 A C -0.671 176.926 177.584 0.022 0.000 1.165 7 A CA -0.501 51.547 52.037 0.018 0.000 0.821 7 A CB 0.930 19.934 19.000 0.006 0.000 1.102 7 A HN 0.322 nan 8.150 nan 0.000 0.500 8 V N 4.091 124.030 119.914 0.041 0.000 2.378 8 V HA 0.453 4.574 4.120 0.001 0.000 0.288 8 V C -0.329 175.798 176.094 0.054 0.000 1.016 8 V CA -0.083 62.262 62.300 0.075 0.000 0.840 8 V CB 0.813 32.741 31.823 0.174 0.000 0.994 8 V HN 0.723 nan 8.190 nan 0.000 0.431 9 I N 3.669 124.251 120.570 0.019 0.000 2.498 9 I HA 0.779 4.950 4.170 0.001 0.000 0.290 9 I C 0.481 176.565 176.117 -0.055 0.000 1.032 9 I CA -0.338 60.952 61.300 -0.018 0.000 1.073 9 I CB 2.281 40.260 38.000 -0.034 0.000 1.251 9 I HN 0.728 nan 8.210 nan 0.000 0.426 10 G N 6.352 115.116 108.800 -0.061 0.000 2.524 10 G HA2 0.831 4.792 3.960 0.001 0.000 0.310 10 G HA3 0.831 4.792 3.960 0.001 0.000 0.310 10 G C -1.270 173.579 174.900 -0.084 0.000 1.279 10 G CA -0.548 44.494 45.100 -0.097 0.000 0.974 10 G HN 0.414 nan 8.290 nan 0.000 0.484 11 L N 0.306 121.461 121.223 -0.113 0.000 2.370 11 L HA 0.595 4.936 4.340 0.001 0.000 0.266 11 L C -0.427 176.431 176.870 -0.019 0.000 1.002 11 L CA -0.863 53.949 54.840 -0.048 0.000 0.818 11 L CB 2.778 44.818 42.059 -0.031 0.000 1.325 11 L HN 0.447 nan 8.230 nan 0.000 0.418 12 E N 2.769 122.985 120.200 0.026 0.000 2.186 12 E HA 0.515 4.866 4.350 0.001 0.000 0.255 12 E C -1.358 175.273 176.600 0.052 0.000 0.881 12 E CA -0.449 55.961 56.400 0.017 0.000 0.752 12 E CB 2.146 31.878 29.700 0.052 0.000 1.176 12 E HN 0.323 nan 8.360 nan 0.000 0.421 13 I N 2.541 123.102 120.570 -0.016 0.000 2.404 13 I HA 0.232 4.403 4.170 0.001 0.000 0.293 13 I C -0.593 175.467 176.117 -0.096 0.000 0.992 13 I CA -0.548 60.777 61.300 0.042 0.000 1.149 13 I CB 1.125 39.173 38.000 0.082 0.000 1.315 13 I HN 0.436 nan 8.210 nan 0.000 0.446 14 H N 4.550 123.647 119.070 0.046 0.000 2.504 14 H HA 0.610 5.167 4.556 0.001 0.000 0.322 14 H C -0.869 174.485 175.328 0.043 0.000 1.055 14 H CA -0.569 55.501 56.048 0.037 0.000 1.231 14 H CB 1.456 31.249 29.762 0.051 0.000 1.417 14 H HN 0.226 nan 8.280 nan 0.000 0.472 15 V N 3.934 123.911 119.914 0.105 0.000 2.384 15 V HA 0.172 4.293 4.120 0.001 0.000 0.287 15 V C 0.024 176.167 176.094 0.081 0.000 1.020 15 V CA -0.837 61.508 62.300 0.076 0.000 0.850 15 V CB 1.560 33.402 31.823 0.032 0.000 0.987 15 V HN 0.748 nan 8.190 nan 0.000 0.436 16 Q N 4.505 124.351 119.800 0.077 0.000 2.296 16 Q HA 0.426 4.767 4.340 0.001 0.000 0.262 16 Q C -0.484 175.559 176.000 0.072 0.000 0.981 16 Q CA -0.257 55.590 55.803 0.074 0.000 0.905 16 Q CB 0.830 29.608 28.738 0.066 0.000 1.186 16 Q HN 0.665 nan 8.270 nan 0.000 0.399 17 M N 2.926 122.577 119.600 0.085 0.000 2.185 17 M HA 0.038 4.519 4.480 0.001 0.000 0.357 17 M C 0.034 176.416 176.300 0.136 0.000 1.260 17 M CA -0.196 55.183 55.300 0.131 0.000 1.124 17 M CB 0.655 33.338 32.600 0.138 0.000 1.600 17 M HN 0.519 nan 8.290 nan 0.000 0.467 18 D N 3.148 123.666 120.400 0.196 0.000 2.848 18 D HA 0.014 4.654 4.640 0.001 0.000 0.232 18 D C -0.026 176.395 176.300 0.201 0.000 1.107 18 D CA 0.014 54.121 54.000 0.178 0.000 1.020 18 D CB -0.015 40.878 40.800 0.155 0.000 1.148 18 D HN 0.591 nan 8.370 nan 0.000 0.453 19 T N -2.412 112.188 114.554 0.076 0.000 2.902 19 T HA 0.253 4.604 4.350 0.001 0.000 0.280 19 T C 1.340 176.036 174.700 -0.007 0.000 0.992 19 T CA -0.742 61.335 62.100 -0.039 0.000 1.015 19 T CB 1.692 70.487 68.868 -0.121 0.000 1.044 19 T HN 0.021 nan 8.240 nan 0.000 0.520 20 K N 0.139 120.523 120.400 -0.026 0.000 2.167 20 K HA 0.086 4.406 4.320 0.001 0.000 0.203 20 K C 0.728 177.320 176.600 -0.013 0.000 1.052 20 K CA 0.674 56.957 56.287 -0.007 0.000 0.956 20 K CB -0.042 32.453 32.500 -0.009 0.000 0.735 20 K HN 0.518 nan 8.250 nan 0.000 0.451 21 T N 1.007 115.540 114.554 -0.034 0.000 2.932 21 T HA 0.267 4.618 4.350 0.001 0.000 0.289 21 T C -0.200 174.470 174.700 -0.050 0.000 1.039 21 T CA -0.723 61.355 62.100 -0.037 0.000 1.024 21 T CB 2.255 71.097 68.868 -0.044 0.000 1.090 21 T HN -0.063 nan 8.240 nan 0.000 0.496 22 K N 1.016 121.389 120.400 -0.044 0.000 2.143 22 K HA 0.167 4.488 4.320 0.001 0.000 0.239 22 K C 1.280 177.796 176.600 -0.140 0.000 1.048 22 K CA -0.450 55.801 56.287 -0.061 0.000 0.867 22 K CB 0.155 32.639 32.500 -0.026 0.000 1.088 22 K HN 0.410 nan 8.250 nan 0.000 0.510 23 M N 0.103 119.565 119.600 -0.230 0.000 2.254 23 M HA -0.012 4.469 4.480 0.001 0.000 0.265 23 M C 0.349 176.194 176.300 -0.758 0.000 1.066 23 M CA 1.864 56.826 55.300 -0.563 0.000 1.123 23 M CB 0.241 32.362 32.600 -0.798 0.000 1.388 23 M HN 0.545 nan 8.290 nan 0.000 0.425 24 F N -1.393 118.514 119.950 -0.072 0.000 2.856 24 F HA 0.289 4.817 4.527 0.001 0.000 0.338 24 F C 0.459 176.222 175.800 -0.061 0.000 1.100 24 F CA -0.870 57.076 58.000 -0.090 0.000 1.150 24 F CB -0.111 38.820 39.000 -0.115 0.000 1.101 24 F HN 0.282 nan 8.300 nan 0.000 0.548 25 C N -2.523 116.820 119.300 0.071 0.000 3.340 25 C HA 0.846 5.307 4.460 0.001 0.000 0.333 25 C C 1.343 176.335 174.990 0.003 0.000 1.464 25 C CA -0.272 58.768 59.018 0.037 0.000 1.337 25 C CB 1.208 28.970 27.740 0.036 0.000 1.740 25 C HN 0.288 nan 8.230 nan 0.000 0.450 26 G N -0.451 108.350 108.800 0.002 0.000 3.314 26 G HA2 0.339 4.300 3.960 0.001 0.000 0.238 26 G HA3 0.339 4.300 3.960 0.001 0.000 0.238 26 G C 0.334 175.230 174.900 -0.006 0.000 1.184 26 G CA 0.107 45.203 45.100 -0.007 0.000 0.806 26 G HN 0.969 nan 8.290 nan 0.000 0.536 27 C N 0.910 120.208 119.300 -0.003 0.000 2.604 27 C HA 0.321 4.781 4.460 0.001 0.000 0.396 27 C C 0.921 175.909 174.990 -0.003 0.000 1.282 27 C CA -0.908 58.109 59.018 -0.002 0.000 2.292 27 C CB 0.689 28.429 27.740 0.000 0.000 2.633 27 C HN 0.356 nan 8.230 nan 0.000 0.620 28 K N 1.211 121.611 120.400 0.000 0.000 2.326 28 K HA 0.291 4.612 4.320 0.001 0.000 0.275 28 K C -0.634 175.973 176.600 0.011 0.000 1.018 28 K CA -0.142 56.148 56.287 0.005 0.000 0.962 28 K CB 0.558 33.063 32.500 0.008 0.000 0.953 28 K HN 0.428 nan 8.250 nan 0.000 0.475 29 V N 4.444 124.368 119.914 0.016 0.000 2.385 29 V HA 0.124 4.244 4.120 0.001 0.000 0.269 29 V C -0.058 176.066 176.094 0.051 0.000 1.043 29 V CA -0.065 62.255 62.300 0.033 0.000 0.906 29 V CB 0.424 32.266 31.823 0.031 0.000 0.995 29 V HN 0.873 nan 8.190 nan 0.000 0.467 30 E N 4.745 124.984 120.200 0.065 0.000 2.375 30 E HA 0.437 4.788 4.350 0.001 0.000 0.280 30 E C -1.494 175.186 176.600 0.133 0.000 0.972 30 E CA -0.896 55.560 56.400 0.093 0.000 0.782 30 E CB 1.817 31.554 29.700 0.060 0.000 1.229 30 E HN 0.299 nan 8.360 nan 0.000 0.439 31 F N 1.651 121.606 119.950 0.008 0.000 2.396 31 F HA 0.479 5.007 4.527 0.001 0.000 0.343 31 F C 1.282 177.085 175.800 0.005 0.000 1.104 31 F CA 1.212 59.216 58.000 0.007 0.000 1.161 31 F CB 1.335 40.339 39.000 0.007 0.000 1.146 31 F HN 0.839 nan 8.300 nan 0.000 0.522 32 G N 3.911 112.282 108.800 -0.714 0.000 2.221 32 G HA2 -0.077 3.884 3.960 0.001 0.000 0.265 32 G HA3 -0.077 3.884 3.960 0.001 0.000 0.265 32 G C 0.068 174.836 174.900 -0.219 0.000 1.041 32 G CA 0.035 44.821 45.100 -0.523 0.000 0.807 32 G HN 1.162 nan 8.290 nan 0.000 0.502 33 A N -0.596 122.128 122.820 -0.159 0.000 2.296 33 A HA 0.649 4.970 4.320 0.001 0.000 0.264 33 A C 0.629 178.158 177.584 -0.091 0.000 1.097 33 A CA -0.064 51.920 52.037 -0.089 0.000 0.811 33 A CB 0.372 19.339 19.000 -0.055 0.000 1.072 33 A HN 0.555 nan 8.150 nan 0.000 0.495 34 E N 1.504 121.668 120.200 -0.061 0.000 2.414 34 E HA 0.154 4.505 4.350 0.001 0.000 0.263 34 E C -2.178 174.391 176.600 -0.052 0.000 1.000 34 E CA -1.387 54.981 56.400 -0.053 0.000 0.914 34 E CB 0.067 29.745 29.700 -0.037 0.000 0.948 34 E HN 0.373 nan 8.360 nan 0.000 0.444 35 P HA -0.175 nan 4.420 nan 0.000 0.261 35 P C -0.510 176.769 177.300 -0.035 0.000 1.173 35 P CA 0.377 63.449 63.100 -0.047 0.000 0.760 35 P CB 0.304 31.978 31.700 -0.044 0.000 0.783 36 N N 0.387 119.067 118.700 -0.032 0.000 2.727 36 N HA -0.155 4.586 4.740 0.001 0.000 0.249 36 N C 0.904 176.401 175.510 -0.021 0.000 1.048 36 N CA 1.505 54.541 53.050 -0.024 0.000 0.714 36 N CB -1.545 36.929 38.487 -0.022 0.000 0.959 36 N HN 0.633 nan 8.380 nan 0.000 0.544 37 T N -4.830 109.711 114.554 -0.023 0.000 3.042 37 T HA 0.063 4.414 4.350 0.001 0.000 0.245 37 T C 0.780 175.472 174.700 -0.014 0.000 1.029 37 T CA 0.158 62.247 62.100 -0.018 0.000 1.120 37 T CB 0.294 69.150 68.868 -0.020 0.000 0.917 37 T HN 0.013 nan 8.240 nan 0.000 0.467 38 N N 1.897 120.589 118.700 -0.014 0.000 3.188 38 N HA 0.554 5.295 4.740 0.001 0.000 0.279 38 N C -1.209 174.297 175.510 -0.006 0.000 1.213 38 N CA 0.066 53.111 53.050 -0.008 0.000 1.138 38 N CB 0.843 39.327 38.487 -0.005 0.000 1.417 38 N HN 0.273 nan 8.380 nan 0.000 0.526 39 V N -0.295 119.615 119.914 -0.007 0.000 3.232 39 V HA 0.546 4.667 4.120 0.001 0.000 0.303 39 V C -1.284 174.806 176.094 -0.006 0.000 1.311 39 V CA -0.690 61.606 62.300 -0.007 0.000 1.061 39 V CB 2.823 34.639 31.823 -0.011 0.000 1.085 39 V HN 0.432 nan 8.190 nan 0.000 0.447 40 C N 3.272 122.568 119.300 -0.007 0.000 3.241 40 C HA 0.486 4.947 4.460 0.001 0.000 0.348 40 C C -1.935 173.050 174.990 -0.008 0.000 1.180 40 C CA -0.842 58.173 59.018 -0.005 0.000 1.273 40 C CB 2.085 29.826 27.740 0.001 0.000 1.620 40 C HN 0.773 nan 8.230 nan 0.000 0.510 41 P HA -0.149 nan 4.420 nan 0.000 0.216 41 P C 1.419 178.711 177.300 -0.014 0.000 1.154 41 P CA 1.744 64.839 63.100 -0.010 0.000 0.865 41 P CB 0.164 31.861 31.700 -0.005 0.000 0.789 42 V N 0.267 120.176 119.914 -0.007 0.000 2.239 42 V HA -0.226 3.894 4.120 0.001 0.000 0.242 42 V C 2.618 178.702 176.094 -0.016 0.000 1.038 42 V CA 2.248 64.543 62.300 -0.007 0.000 1.002 42 V CB -1.750 30.082 31.823 0.015 0.000 0.641 42 V HN 0.264 nan 8.190 nan 0.000 0.449 43 C N -0.597 118.702 119.300 -0.001 0.000 2.511 43 C HA 0.172 4.632 4.460 0.001 0.000 0.277 43 C C 2.115 177.089 174.990 -0.026 0.000 1.451 43 C CA -0.000 59.016 59.018 -0.003 0.000 1.735 43 C CB -1.904 25.844 27.740 0.013 0.000 1.704 43 C HN 0.532 nan 8.230 nan 0.000 0.571 44 L N 1.084 122.289 121.223 -0.030 0.000 2.607 44 L HA 0.301 4.641 4.340 0.001 0.000 0.228 44 L C 1.906 178.744 176.870 -0.054 0.000 1.123 44 L CA 0.765 55.583 54.840 -0.036 0.000 0.890 44 L CB -0.426 41.618 42.059 -0.025 0.000 1.103 44 L HN 0.527 nan 8.230 nan 0.000 0.468 45 G N 1.117 109.874 108.800 -0.073 0.000 2.295 45 G HA2 -0.299 3.662 3.960 0.001 0.000 0.287 45 G HA3 -0.299 3.662 3.960 0.001 0.000 0.287 45 G C 0.240 175.105 174.900 -0.059 0.000 1.055 45 G CA 0.100 45.141 45.100 -0.099 0.000 0.922 45 G HN 0.216 nan 8.290 nan 0.000 0.503 46 M N -0.120 119.457 119.600 -0.038 0.000 2.247 46 M HA 0.285 4.766 4.480 0.001 0.000 0.326 46 M C -1.794 174.499 176.300 -0.012 0.000 1.134 46 M CA -1.563 53.725 55.300 -0.021 0.000 1.136 46 M CB 0.406 32.997 32.600 -0.015 0.000 1.454 46 M HN -0.039 nan 8.290 nan 0.000 0.467 47 P HA 0.176 nan 4.420 nan 0.000 0.271 47 P C 0.530 177.835 177.300 0.008 0.000 1.220 47 P CA 0.454 63.559 63.100 0.008 0.000 0.768 47 P CB 0.565 32.271 31.700 0.011 0.000 0.848 48 G N 1.724 110.532 108.800 0.013 0.000 2.217 48 G HA2 -0.154 3.806 3.960 0.001 0.000 0.246 48 G HA3 -0.154 3.806 3.960 0.001 0.000 0.246 48 G C 0.354 175.259 174.900 0.007 0.000 0.990 48 G CA -0.029 45.078 45.100 0.011 0.000 0.627 48 G HN 0.865 nan 8.290 nan 0.000 0.522 49 A N 0.468 123.289 122.820 0.002 0.000 2.328 49 A HA 0.786 5.106 4.320 0.001 0.000 0.284 49 A C 0.154 177.734 177.584 -0.007 0.000 1.160 49 A CA -0.077 51.958 52.037 -0.004 0.000 0.818 49 A CB 0.490 19.484 19.000 -0.010 0.000 1.087 49 A HN 0.817 nan 8.150 nan 0.000 0.504 50 L N 4.078 125.296 121.223 -0.008 0.000 2.346 50 L HA 0.523 4.864 4.340 0.001 0.000 0.274 50 L C -2.111 174.744 176.870 -0.024 0.000 1.007 50 L CA -2.061 52.768 54.840 -0.018 0.000 0.818 50 L CB 2.340 44.393 42.059 -0.009 0.000 1.284 50 L HN 0.533 nan 8.230 nan 0.000 0.424 51 P HA 0.385 nan 4.420 nan 0.000 0.284 51 P C -1.100 176.212 177.300 0.021 0.000 1.253 51 P CA -0.265 62.793 63.100 -0.069 0.000 0.800 51 P CB 1.528 32.980 31.700 -0.413 0.000 0.961 52 I N 2.909 123.564 120.570 0.140 0.000 2.439 52 I HA 0.149 4.320 4.170 0.001 0.000 0.285 52 I C 0.124 176.344 176.117 0.172 0.000 1.021 52 I CA -0.957 60.416 61.300 0.123 0.000 1.091 52 I CB 1.885 39.922 38.000 0.062 0.000 1.242 52 I HN 0.054 nan 8.210 nan 0.000 0.439 53 V N 5.394 125.406 119.914 0.163 0.000 2.617 53 V HA -0.036 4.085 4.120 0.001 0.000 0.304 53 V C 0.723 176.810 176.094 -0.011 0.000 1.040 53 V CA -0.005 62.332 62.300 0.062 0.000 1.149 53 V CB 0.243 32.142 31.823 0.127 0.000 0.914 53 V HN 0.741 nan 8.190 nan 0.000 0.487 54 N N 4.470 123.099 118.700 -0.119 0.000 2.420 54 N HA 0.061 4.802 4.740 0.001 0.000 0.262 54 N C 0.921 176.420 175.510 -0.017 0.000 1.144 54 N CA 0.111 53.109 53.050 -0.085 0.000 0.952 54 N CB 0.830 39.225 38.487 -0.154 0.000 1.081 54 N HN 0.720 nan 8.380 nan 0.000 0.480 55 K N 3.605 124.019 120.400 0.024 0.000 2.057 55 K HA -0.111 4.210 4.320 0.001 0.000 0.207 55 K C 1.725 178.395 176.600 0.117 0.000 1.049 55 K CA 0.984 57.338 56.287 0.112 0.000 0.931 55 K CB 0.114 32.657 32.500 0.073 0.000 0.714 55 K HN 0.508 nan 8.250 nan 0.000 0.440 56 R N -0.043 120.438 120.500 -0.031 0.000 2.092 56 R HA -0.078 4.263 4.340 0.001 0.000 0.231 56 R C 2.145 178.270 176.300 -0.292 0.000 1.119 56 R CA 1.138 57.120 56.100 -0.197 0.000 0.970 56 R CB -0.200 29.882 30.300 -0.362 0.000 0.864 56 R HN 0.258 nan 8.270 nan 0.000 0.440 57 A N 0.281 122.989 122.820 -0.187 0.000 1.883 57 A HA -0.153 4.168 4.320 0.001 0.000 0.217 57 A C 2.227 179.808 177.584 -0.006 0.000 1.186 57 A CA 1.781 53.753 52.037 -0.109 0.000 0.624 57 A CB -0.706 18.226 19.000 -0.113 0.000 0.822 57 A HN 0.212 nan 8.150 nan 0.000 0.444 58 V N 0.266 120.206 119.914 0.043 0.000 2.295 58 V HA -0.288 3.833 4.120 0.001 0.000 0.246 58 V C 2.618 178.675 176.094 -0.062 0.000 1.049 58 V CA 2.373 64.714 62.300 0.068 0.000 1.024 58 V CB -0.739 31.206 31.823 0.203 0.000 0.648 58 V HN 0.801 nan 8.190 nan 0.000 0.447 59 E N -0.604 119.585 120.200 -0.019 0.000 2.058 59 E HA -0.256 4.094 4.350 0.001 0.000 0.194 59 E C 2.282 178.910 176.600 0.048 0.000 0.997 59 E CA 1.723 58.060 56.400 -0.105 0.000 0.801 59 E CB -0.216 29.604 29.700 0.201 0.000 0.746 59 E HN 0.636 nan 8.360 nan 0.000 0.450 60 Y N 0.298 120.558 120.300 -0.067 0.000 2.224 60 Y HA -0.089 4.461 4.550 0.001 0.000 0.289 60 Y C 2.436 178.287 175.900 -0.082 0.000 1.146 60 Y CA 0.861 58.925 58.100 -0.060 0.000 1.182 60 Y CB -1.076 37.369 38.460 -0.025 0.000 0.983 60 Y HN 0.183 nan 8.280 nan 0.000 0.524 61 A N -0.252 122.618 122.820 0.083 0.000 1.968 61 A HA -0.096 4.225 4.320 0.001 0.000 0.217 61 A C 2.312 179.859 177.584 -0.062 0.000 1.169 61 A CA 1.297 53.341 52.037 0.011 0.000 0.638 61 A CB -0.930 18.086 19.000 0.028 0.000 0.812 61 A HN 0.415 nan 8.150 nan 0.000 0.446 62 I N -1.074 119.419 120.570 -0.128 0.000 2.202 62 I HA -0.210 3.961 4.170 0.001 0.000 0.242 62 I C 2.642 178.657 176.117 -0.171 0.000 1.091 62 I CA 1.532 62.712 61.300 -0.199 0.000 1.368 62 I CB -0.319 37.458 38.000 -0.372 0.000 1.058 62 I HN 0.336 nan 8.210 nan 0.000 0.410 63 R N 1.325 121.736 120.500 -0.149 0.000 2.083 63 R HA -0.222 4.119 4.340 0.001 0.000 0.237 63 R C 2.363 178.589 176.300 -0.124 0.000 1.137 63 R CA 1.864 57.887 56.100 -0.128 0.000 0.951 63 R CB -0.321 29.914 30.300 -0.109 0.000 0.851 63 R HN 0.376 nan 8.270 nan 0.000 0.434 64 A N -0.003 122.753 122.820 -0.106 0.000 1.902 64 A HA -0.137 4.184 4.320 0.001 0.000 0.217 64 A C 2.209 179.721 177.584 -0.120 0.000 1.181 64 A CA 1.901 53.874 52.037 -0.105 0.000 0.623 64 A CB -0.549 18.405 19.000 -0.077 0.000 0.818 64 A HN 0.449 nan 8.150 nan 0.000 0.443 65 S N -0.050 115.579 115.700 -0.118 0.000 2.359 65 S HA -0.132 4.339 4.470 0.001 0.000 0.224 65 S C 1.837 176.334 174.600 -0.172 0.000 1.035 65 S CA 1.600 59.721 58.200 -0.131 0.000 1.018 65 S CB -0.486 62.642 63.200 -0.119 0.000 0.876 65 S HN 0.519 nan 8.310 nan 0.000 0.448 66 L N 1.074 122.195 121.223 -0.171 0.000 2.056 66 L HA -0.097 4.244 4.340 0.001 0.000 0.207 66 L C 2.759 179.502 176.870 -0.211 0.000 1.078 66 L CA 1.197 55.924 54.840 -0.188 0.000 0.749 66 L CB -0.673 41.293 42.059 -0.154 0.000 0.901 66 L HN 0.320 nan 8.230 nan 0.000 0.433 67 A N -0.125 122.587 122.820 -0.180 0.000 2.019 67 A HA -0.085 4.236 4.320 0.001 0.000 0.219 67 A C 2.015 179.459 177.584 -0.234 0.000 1.164 67 A CA 1.159 53.088 52.037 -0.181 0.000 0.644 67 A CB -0.555 18.361 19.000 -0.140 0.000 0.805 67 A HN 0.430 nan 8.150 nan 0.000 0.449 68 L N -0.804 120.273 121.223 -0.243 0.000 2.629 68 L HA 0.099 4.440 4.340 0.001 0.000 0.230 68 L C 0.031 176.622 176.870 -0.464 0.000 1.151 68 L CA -0.184 54.486 54.840 -0.283 0.000 0.924 68 L CB -0.426 41.527 42.059 -0.177 0.000 1.137 68 L HN 0.369 nan 8.230 nan 0.000 0.457 69 N N -1.160 117.215 118.700 -0.542 0.000 2.776 69 N HA -0.162 4.579 4.740 0.001 0.000 0.250 69 N C -0.099 175.049 175.510 -0.603 0.000 1.112 69 N CA 0.610 53.158 53.050 -0.836 0.000 0.733 69 N CB -1.938 35.387 38.487 -1.937 0.000 1.097 69 N HN 0.314 nan 8.380 nan 0.000 0.558 70 C N 0.879 119.979 119.300 -0.333 0.000 2.443 70 C HA 0.323 4.784 4.460 0.001 0.000 0.369 70 C C 1.443 176.324 174.990 -0.183 0.000 1.241 70 C CA -0.724 58.179 59.018 -0.193 0.000 2.413 70 C CB 1.175 28.831 27.740 -0.139 0.000 2.451 70 C HN 0.300 nan 8.230 nan 0.000 0.595 71 E N 1.125 121.228 120.200 -0.163 0.000 2.217 71 E HA 0.319 4.669 4.350 0.001 0.000 0.279 71 E C -0.801 175.546 176.600 -0.422 0.000 1.068 71 E CA 0.021 56.266 56.400 -0.258 0.000 0.882 71 E CB 0.401 29.957 29.700 -0.240 0.000 1.039 71 E HN 0.426 nan 8.360 nan 0.000 0.418 72 V N 6.824 126.539 119.914 -0.332 0.000 2.461 72 V HA 0.141 4.261 4.120 0.001 0.000 0.275 72 V C 0.110 176.016 176.094 -0.314 0.000 1.047 72 V CA -0.553 61.581 62.300 -0.277 0.000 0.955 72 V CB 0.705 32.426 31.823 -0.170 0.000 0.988 72 V HN 0.671 nan 8.190 nan 0.000 0.471 73 H N 4.443 123.488 119.070 -0.042 0.000 2.562 73 H HA 0.166 4.723 4.556 0.001 0.000 0.314 73 H C 0.997 176.311 175.328 -0.024 0.000 1.079 73 H CA -0.253 55.776 56.048 -0.032 0.000 1.349 73 H CB 1.740 31.479 29.762 -0.038 0.000 1.432 73 H HN 0.796 nan 8.280 nan 0.000 0.479 74 E N 3.211 123.465 120.200 0.090 0.000 2.204 74 E HA -0.146 4.205 4.350 0.001 0.000 0.194 74 E C -0.025 176.616 176.600 0.069 0.000 0.989 74 E CA 0.838 57.278 56.400 0.066 0.000 0.824 74 E CB 0.433 30.167 29.700 0.057 0.000 0.756 74 E HN 0.702 nan 8.360 nan 0.000 0.477 75 E N 0.803 121.041 120.200 0.064 0.000 2.199 75 E HA 0.285 4.636 4.350 0.001 0.000 0.265 75 E C -1.383 175.214 176.600 -0.004 0.000 0.882 75 E CA -0.567 55.852 56.400 0.031 0.000 0.759 75 E CB 1.451 31.164 29.700 0.021 0.000 1.148 75 E HN 0.166 nan 8.360 nan 0.000 0.412 76 S N 1.738 117.410 115.700 -0.047 0.000 2.618 76 S HA 0.707 5.178 4.470 0.001 0.000 0.277 76 S C -1.045 173.443 174.600 -0.187 0.000 1.138 76 S CA -0.789 57.336 58.200 -0.124 0.000 0.844 76 S CB 1.777 64.892 63.200 -0.140 0.000 1.127 76 S HN 0.253 nan 8.310 nan 0.000 0.474 77 V N 1.471 121.245 119.914 -0.233 0.000 2.638 77 V HA 0.498 4.618 4.120 0.001 0.000 0.306 77 V C -1.101 174.831 176.094 -0.270 0.000 1.052 77 V CA -0.721 61.463 62.300 -0.193 0.000 0.885 77 V CB 1.106 32.882 31.823 -0.079 0.000 0.999 77 V HN 0.881 nan 8.190 nan 0.000 0.424 78 F N 2.932 122.885 119.950 0.004 0.000 2.495 78 F HA 0.604 5.132 4.527 0.001 0.000 0.365 78 F C 0.842 176.588 175.800 -0.091 0.000 1.090 78 F CA 0.269 58.263 58.000 -0.011 0.000 1.235 78 F CB 0.938 39.946 39.000 0.013 0.000 1.119 78 F HN 0.639 nan 8.300 nan 0.000 0.562 79 A N 4.738 127.609 122.820 0.085 0.000 2.380 79 A HA 0.778 5.099 4.320 0.001 0.000 0.315 79 A C -0.504 177.014 177.584 -0.110 0.000 1.101 79 A CA -1.015 51.003 52.037 -0.031 0.000 0.771 79 A CB 1.162 20.210 19.000 0.079 0.000 1.287 79 A HN 0.789 nan 8.150 nan 0.000 0.436 80 R N 0.983 121.286 120.500 -0.329 0.000 2.254 80 R HA 0.362 4.703 4.340 0.001 0.000 0.318 80 R C -0.472 175.571 176.300 -0.428 0.000 1.031 80 R CA -0.339 55.465 56.100 -0.493 0.000 0.905 80 R CB 1.265 30.971 30.300 -0.989 0.000 1.050 80 R HN 0.626 nan 8.270 nan 0.000 0.456 81 K N 3.494 123.681 120.400 -0.355 0.000 2.389 81 K HA 0.182 4.502 4.320 0.001 0.000 0.261 81 K C -1.120 175.366 176.600 -0.190 0.000 1.014 81 K CA -0.629 55.416 56.287 -0.403 0.000 0.920 81 K CB 0.569 32.887 32.500 -0.304 0.000 1.149 81 K HN 0.608 nan 8.250 nan 0.000 0.444 82 H N 3.293 122.404 119.070 0.068 0.000 2.527 82 H HA 0.275 4.832 4.556 0.001 0.000 0.321 82 H C -0.932 174.555 175.328 0.265 0.000 1.087 82 H CA 0.030 56.142 56.048 0.106 0.000 1.337 82 H CB 0.561 30.337 29.762 0.023 0.000 1.440 82 H HN 0.514 nan 8.280 nan 0.000 0.490 83 Y N 0.106 120.415 120.300 0.016 0.000 2.662 83 Y HA 0.435 4.986 4.550 0.001 0.000 0.334 83 Y C -2.252 173.580 175.900 -0.113 0.000 1.185 83 Y CA -1.950 56.156 58.100 0.010 0.000 1.074 83 Y CB 0.470 39.022 38.460 0.152 0.000 1.330 83 Y HN 0.343 nan 8.280 nan 0.000 0.458 84 F N 2.950 123.035 119.950 0.224 0.000 2.404 84 F HA 0.641 5.169 4.527 0.001 0.000 0.354 84 F C -0.839 175.131 175.800 0.284 0.000 1.122 84 F CA -0.493 57.588 58.000 0.136 0.000 1.080 84 F CB 1.207 40.278 39.000 0.119 0.000 1.131 84 F HN 0.559 nan 8.300 nan 0.000 0.471 85 Y N 4.644 125.019 120.300 0.126 0.000 2.474 85 Y HA 0.284 4.835 4.550 0.001 0.000 0.326 85 Y C -2.188 173.746 175.900 0.057 0.000 1.160 85 Y CA -2.363 55.816 58.100 0.132 0.000 1.056 85 Y CB 2.046 40.628 38.460 0.203 0.000 1.330 85 Y HN 0.234 nan 8.280 nan 0.000 0.447 86 P HA -0.164 nan 4.420 nan 0.000 0.217 86 P C 0.627 177.885 177.300 -0.070 0.000 1.148 86 P CA 2.096 65.091 63.100 -0.174 0.000 0.828 86 P CB 0.248 31.791 31.700 -0.263 0.000 0.783 87 D N -1.647 118.760 120.400 0.012 0.000 2.328 87 D HA 0.004 4.645 4.640 0.001 0.000 0.226 87 D C 0.172 176.505 176.300 0.056 0.000 1.066 87 D CA 0.084 54.130 54.000 0.078 0.000 0.861 87 D CB -0.599 40.295 40.800 0.155 0.000 0.912 87 D HN 0.127 nan 8.370 nan 0.000 0.521 88 L N 0.468 121.695 121.223 0.007 0.000 2.401 88 L HA 0.402 4.743 4.340 0.001 0.000 0.263 88 L C -2.049 174.728 176.870 -0.155 0.000 1.004 88 L CA -1.836 52.937 54.840 -0.112 0.000 0.881 88 L CB 1.984 43.873 42.059 -0.282 0.000 1.219 88 L HN -0.311 nan 8.230 nan 0.000 0.441 89 P HA -0.112 nan 4.420 nan 0.000 0.216 89 P C 0.608 177.794 177.300 -0.190 0.000 1.150 89 P CA 1.436 64.458 63.100 -0.131 0.000 0.837 89 P CB 0.248 31.881 31.700 -0.112 0.000 0.786 90 K N -2.322 117.876 120.400 -0.336 0.000 2.379 90 K HA 0.238 4.558 4.320 0.001 0.000 0.194 90 K C 1.293 177.642 176.600 -0.418 0.000 1.031 90 K CA 0.696 56.693 56.287 -0.482 0.000 1.037 90 K CB -0.127 31.766 32.500 -1.011 0.000 0.824 90 K HN 0.133 nan 8.250 nan 0.000 0.516 91 G N 1.256 109.830 108.800 -0.376 0.000 2.176 91 G HA2 -0.285 3.676 3.960 0.001 0.000 0.253 91 G HA3 -0.285 3.676 3.960 0.001 0.000 0.253 91 G C -0.211 174.518 174.900 -0.285 0.000 0.979 91 G CA 0.665 45.526 45.100 -0.399 0.000 0.641 91 G HN 0.431 nan 8.290 nan 0.000 0.530 92 Y N -2.013 118.115 120.300 -0.288 0.000 2.597 92 Y HA 0.804 5.355 4.550 0.002 0.000 0.340 92 Y C -0.581 175.165 175.900 -0.256 0.000 1.097 92 Y CA -1.358 56.551 58.100 -0.319 0.000 1.037 92 Y CB 1.043 39.246 38.460 -0.428 0.000 1.305 92 Y HN 0.189 nan 8.280 nan 0.000 0.463 93 Q N 2.896 122.705 119.800 0.015 0.000 2.293 93 Q HA 0.539 4.880 4.340 0.001 0.000 0.261 93 Q C -1.269 174.812 176.000 0.135 0.000 0.960 93 Q CA -0.821 55.021 55.803 0.064 0.000 0.882 93 Q CB 1.286 30.102 28.738 0.130 0.000 1.275 93 Q HN 0.836 nan 8.270 nan 0.000 0.445 94 I N 3.765 124.425 120.570 0.150 0.000 2.337 94 I HA 0.150 4.321 4.170 0.001 0.000 0.291 94 I C 0.353 176.635 176.117 0.274 0.000 1.046 94 I CA 0.063 61.439 61.300 0.126 0.000 1.324 94 I CB 0.543 38.465 38.000 -0.131 0.000 1.409 94 I HN 0.682 nan 8.210 nan 0.000 0.494 95 S N 5.259 121.113 115.700 0.257 0.000 3.359 95 S HA 0.611 5.081 4.470 0.001 0.000 0.323 95 S C -0.814 173.887 174.600 0.169 0.000 1.143 95 S CA -0.939 57.429 58.200 0.279 0.000 0.989 95 S CB 1.669 64.967 63.200 0.163 0.000 1.375 95 S HN 0.581 nan 8.310 nan 0.000 0.728 96 Q N -0.981 118.720 119.800 -0.165 0.000 2.451 96 Q HA 0.606 4.947 4.340 0.001 0.000 0.281 96 Q C -1.375 174.415 176.000 -0.350 0.000 1.099 96 Q CA -0.751 54.903 55.803 -0.249 0.000 0.806 96 Q CB 1.968 30.553 28.738 -0.254 0.000 1.419 96 Q HN 0.664 nan 8.270 nan 0.000 0.427 97 Y N 1.071 121.150 120.300 -0.368 0.000 2.420 97 Y HA 0.164 4.715 4.550 0.001 0.000 0.099 97 Y C -0.504 175.211 175.900 -0.309 0.000 1.023 97 Y CA -0.353 57.484 58.100 -0.439 0.000 1.758 97 Y CB -0.082 38.035 38.460 -0.572 0.000 1.102 97 Y HN 0.730 nan 8.280 nan 0.000 0.246 98 E N 3.112 122.898 120.200 -0.689 0.000 2.465 98 E HA 0.093 4.444 4.350 0.001 0.000 0.260 98 E C -0.935 175.520 176.600 -0.241 0.000 0.980 98 E CA 0.357 56.491 56.400 -0.443 0.000 0.927 98 E CB 0.067 29.532 29.700 -0.391 0.000 0.934 98 E HN 0.389 nan 8.360 nan 0.000 0.459 99 K N 1.469 121.724 120.400 -0.241 0.000 3.510 99 K HA -0.085 4.236 4.320 0.001 0.000 0.275 99 K C -2.410 174.075 176.600 -0.192 0.000 1.094 99 K CA 0.441 56.596 56.287 -0.219 0.000 0.822 99 K CB -1.290 31.113 32.500 -0.162 0.000 1.351 99 K HN 0.628 nan 8.250 nan 0.000 0.458 100 P HA 0.051 nan 4.420 nan 0.000 0.276 100 P C 0.879 178.168 177.300 -0.019 0.000 1.261 100 P CA -0.651 62.406 63.100 -0.070 0.000 0.800 100 P CB 0.739 32.453 31.700 0.023 0.000 1.066 101 L N 0.471 121.710 121.223 0.027 0.000 2.017 101 L HA 0.042 4.383 4.340 0.001 0.000 0.208 101 L C 0.846 177.817 176.870 0.169 0.000 1.073 101 L CA 2.174 57.047 54.840 0.055 0.000 0.745 101 L CB -0.917 41.147 42.059 0.010 0.000 0.894 101 L HN 0.541 nan 8.230 nan 0.000 0.432 102 A N -2.544 120.365 122.820 0.148 0.000 2.515 102 A HA 0.762 5.083 4.320 0.001 0.000 0.296 102 A C -0.576 177.087 177.584 0.132 0.000 1.094 102 A CA -0.241 51.855 52.037 0.097 0.000 0.718 102 A CB 1.569 20.554 19.000 -0.025 0.000 1.307 102 A HN 0.070 nan 8.150 nan 0.000 0.408 103 T N 0.059 114.677 114.554 0.105 0.000 2.830 103 T HA 0.471 4.822 4.350 0.001 0.000 0.322 103 T C -0.924 173.821 174.700 0.075 0.000 1.501 103 T CA -0.192 61.994 62.100 0.143 0.000 1.036 103 T CB 0.896 69.980 68.868 0.360 0.000 1.379 103 T HN 1.093 nan 8.240 nan 0.000 0.493 104 N N 0.326 119.075 118.700 0.083 0.000 2.708 104 N HA -0.116 4.625 4.740 0.001 0.000 0.255 104 N C -0.023 175.572 175.510 0.140 0.000 1.046 104 N CA 0.876 53.992 53.050 0.110 0.000 0.715 104 N CB -0.620 37.933 38.487 0.111 0.000 0.895 104 N HN 0.818 nan 8.380 nan 0.000 0.545 105 G N -0.670 108.194 108.800 0.108 0.000 3.016 105 G HA2 0.813 4.774 3.960 0.001 0.000 0.270 105 G HA3 0.813 4.774 3.960 0.001 0.000 0.270 105 G C -0.962 174.092 174.900 0.257 0.000 1.352 105 G CA -0.410 44.712 45.100 0.036 0.000 1.060 105 G HN 0.429 nan 8.290 nan 0.000 0.538 106 W N -2.065 119.237 121.300 0.004 0.000 3.275 106 W HA 0.644 5.304 4.660 0.001 0.000 0.306 106 W C -1.934 174.602 176.519 0.029 0.000 1.259 106 W CA -1.292 56.064 57.345 0.018 0.000 1.194 106 W CB 0.963 30.424 29.460 0.002 0.000 1.375 106 W HN 0.406 nan 8.180 nan 0.000 0.564 107 V N 2.065 122.160 119.914 0.303 0.000 2.604 107 V HA 0.402 4.523 4.120 0.001 0.000 0.305 107 V C -0.504 175.734 176.094 0.240 0.000 1.043 107 V CA -0.929 61.489 62.300 0.197 0.000 0.888 107 V CB 1.611 33.551 31.823 0.195 0.000 0.995 107 V HN 0.665 nan 8.190 nan 0.000 0.429 108 E N 3.173 123.468 120.200 0.159 0.000 2.174 108 E HA 0.470 4.821 4.350 0.001 0.000 0.282 108 E C -1.624 174.992 176.600 0.026 0.000 0.992 108 E CA -0.744 55.719 56.400 0.106 0.000 0.803 108 E CB 1.424 31.182 29.700 0.096 0.000 1.090 108 E HN 0.399 nan 8.360 nan 0.000 0.396 109 L N 4.448 125.689 121.223 0.030 0.000 2.307 109 L HA 0.286 4.627 4.340 0.001 0.000 0.282 109 L C -0.132 176.715 176.870 -0.039 0.000 1.051 109 L CA -0.400 54.436 54.840 -0.006 0.000 0.804 109 L CB 1.292 43.369 42.059 0.031 0.000 1.197 109 L HN 0.472 nan 8.230 nan 0.000 0.431 110 N N 5.171 123.826 118.700 -0.076 0.000 2.437 110 N HA 0.398 5.139 4.740 0.001 0.000 0.259 110 N C -0.787 174.688 175.510 -0.058 0.000 0.983 110 N CA -0.454 52.545 53.050 -0.085 0.000 0.937 110 N CB 1.704 40.100 38.487 -0.151 0.000 1.122 110 N HN 0.405 nan 8.380 nan 0.000 0.499 111 L N 2.685 123.886 121.223 -0.037 0.000 2.379 111 L HA 0.324 4.664 4.340 0.001 0.000 0.269 111 L C -1.075 175.785 176.870 -0.017 0.000 1.084 111 L CA -1.723 53.102 54.840 -0.023 0.000 0.802 111 L CB 0.638 42.688 42.059 -0.016 0.000 1.175 111 L HN 0.187 nan 8.230 nan 0.000 0.448 112 P HA -0.173 nan 4.420 nan 0.000 0.214 112 P C 0.893 178.194 177.300 0.001 0.000 1.163 112 P CA 1.296 64.395 63.100 -0.001 0.000 0.889 112 P CB -0.127 31.573 31.700 0.001 0.000 0.790 113 N N -0.912 117.787 118.700 -0.002 0.000 2.651 113 N HA -0.121 4.620 4.740 0.001 0.000 0.193 113 N C 1.351 176.861 175.510 -0.000 0.000 1.149 113 N CA 1.578 54.627 53.050 -0.001 0.000 0.933 113 N CB -0.825 37.660 38.487 -0.004 0.000 0.974 113 N HN 0.316 nan 8.380 nan 0.000 0.448 114 G N -0.035 108.764 108.800 -0.001 0.000 2.194 114 G HA2 -0.255 3.706 3.960 0.001 0.000 0.236 114 G HA3 -0.255 3.706 3.960 0.001 0.000 0.236 114 G C -0.275 174.622 174.900 -0.005 0.000 0.987 114 G CA 0.019 45.120 45.100 0.002 0.000 0.635 114 G HN 0.503 nan 8.290 nan 0.000 0.520 115 E N 0.518 120.712 120.200 -0.010 0.000 2.319 115 E HA 0.583 4.934 4.350 0.001 0.000 0.268 115 E C 0.017 176.605 176.600 -0.020 0.000 1.050 115 E CA -0.245 56.147 56.400 -0.013 0.000 0.878 115 E CB 0.813 30.505 29.700 -0.013 0.000 1.066 115 E HN 0.301 nan 8.360 nan 0.000 0.406 116 K N 1.857 122.245 120.400 -0.021 0.000 2.221 116 K HA 0.384 4.705 4.320 0.001 0.000 0.258 116 K C -0.551 176.037 176.600 -0.019 0.000 0.944 116 K CA -0.679 55.593 56.287 -0.023 0.000 0.823 116 K CB 1.782 34.267 32.500 -0.026 0.000 1.113 116 K HN 0.175 nan 8.250 nan 0.000 0.431 117 K N 2.052 122.446 120.400 -0.011 0.000 2.385 117 K HA 0.369 4.690 4.320 0.001 0.000 0.248 117 K C -1.181 175.427 176.600 0.014 0.000 0.955 117 K CA -0.785 55.498 56.287 -0.006 0.000 0.816 117 K CB 1.543 34.041 32.500 -0.003 0.000 1.250 117 K HN 0.388 nan 8.250 nan 0.000 0.434 118 K N 1.736 122.139 120.400 0.006 0.000 2.221 118 K HA 0.411 4.732 4.320 0.001 0.000 0.258 118 K C -1.205 175.422 176.600 0.046 0.000 0.944 118 K CA -0.844 55.468 56.287 0.042 0.000 0.823 118 K CB 2.130 34.623 32.500 -0.012 0.000 1.113 118 K HN 0.215 nan 8.250 nan 0.000 0.431 119 V N 3.878 123.852 119.914 0.100 0.000 2.409 119 V HA 0.346 4.467 4.120 0.001 0.000 0.291 119 V C -0.025 176.133 176.094 0.108 0.000 1.020 119 V CA -0.917 61.404 62.300 0.035 0.000 0.848 119 V CB 1.343 33.121 31.823 -0.074 0.000 0.990 119 V HN 0.688 nan 8.190 nan 0.000 0.430 120 R N 4.205 124.742 120.500 0.062 0.000 2.490 120 R HA 0.436 4.776 4.340 0.001 0.000 0.280 120 R C -0.657 175.685 176.300 0.071 0.000 1.077 120 R CA -0.515 55.653 56.100 0.113 0.000 1.065 120 R CB 0.729 31.075 30.300 0.076 0.000 1.003 120 R HN 0.483 nan 8.270 nan 0.000 0.470 121 I N 3.672 124.307 120.570 0.107 0.000 2.304 121 I HA 0.116 4.286 4.170 0.001 0.000 0.291 121 I C 1.495 177.637 176.117 0.042 0.000 1.018 121 I CA 0.034 61.370 61.300 0.060 0.000 1.260 121 I CB 1.178 39.207 38.000 0.048 0.000 1.390 121 I HN 0.697 nan 8.210 nan 0.000 0.475 122 R N 6.786 127.294 120.500 0.012 0.000 2.062 122 R HA 0.053 4.394 4.340 0.001 0.000 0.226 122 R C 0.286 176.594 176.300 0.013 0.000 1.125 122 R CA 1.031 57.135 56.100 0.007 0.000 0.966 122 R CB 0.476 30.766 30.300 -0.017 0.000 0.861 122 R HN 0.770 nan 8.270 nan 0.000 0.433 123 R N -0.821 119.680 120.500 0.000 0.000 2.710 123 R HA 0.394 4.734 4.340 0.001 0.000 0.270 123 R C -1.869 174.409 176.300 -0.037 0.000 1.021 123 R CA -0.913 55.191 56.100 0.007 0.000 0.889 123 R CB 0.960 31.282 30.300 0.037 0.000 1.243 123 R HN 0.093 nan 8.270 nan 0.000 0.464 124 L N 2.567 123.775 121.223 -0.026 0.000 2.406 124 L HA 0.554 4.895 4.340 0.001 0.000 0.272 124 L C -0.997 175.869 176.870 -0.007 0.000 0.980 124 L CA -0.496 54.298 54.840 -0.077 0.000 0.831 124 L CB 1.619 43.641 42.059 -0.061 0.000 1.253 124 L HN 0.907 nan 8.230 nan 0.000 0.406 125 H N 3.518 122.581 119.070 -0.011 0.000 2.797 125 H HA 0.553 5.110 4.556 0.001 0.000 0.372 125 H C -1.213 174.142 175.328 0.045 0.000 1.168 125 H CA -1.163 54.887 56.048 0.003 0.000 1.163 125 H CB 2.031 31.794 29.762 0.000 0.000 1.778 125 H HN 0.477 nan 8.280 nan 0.000 0.551 126 I N 1.717 122.464 120.570 0.294 0.000 2.396 126 I HA 0.184 4.355 4.170 0.001 0.000 0.292 126 I C -0.072 176.324 176.117 0.466 0.000 0.999 126 I CA 0.086 61.577 61.300 0.318 0.000 1.310 126 I CB 1.212 39.420 38.000 0.347 0.000 1.404 126 I HN 0.734 nan 8.210 nan 0.000 0.496 127 E N 4.556 124.979 120.200 0.372 0.000 2.416 127 E HA 0.411 4.762 4.350 0.001 0.000 0.280 127 E C -1.700 175.053 176.600 0.254 0.000 1.055 127 E CA -1.143 55.485 56.400 0.381 0.000 0.825 127 E CB 1.331 31.273 29.700 0.403 0.000 1.312 127 E HN 0.601 nan 8.360 nan 0.000 0.452 128 E N 1.144 121.509 120.200 0.274 0.000 2.250 128 E HA 0.351 4.701 4.350 0.001 0.000 0.269 128 E C -0.825 175.871 176.600 0.160 0.000 1.018 128 E CA -0.846 55.666 56.400 0.186 0.000 0.873 128 E CB 1.234 31.098 29.700 0.274 0.000 1.134 128 E HN 0.400 nan 8.360 nan 0.000 0.403 129 D N 0.333 120.800 120.400 0.112 0.000 2.354 129 D HA 0.363 5.003 4.640 0.001 0.000 0.247 129 D C -0.606 175.740 176.300 0.076 0.000 1.138 129 D CA -0.232 53.824 54.000 0.092 0.000 0.958 129 D CB 1.509 42.355 40.800 0.077 0.000 1.144 129 D HN 0.576 nan 8.370 nan 0.000 0.458 130 A N 0.890 123.753 122.820 0.072 0.000 2.239 130 A HA 0.679 4.999 4.320 0.001 0.000 0.303 130 A C 0.728 178.347 177.584 0.057 0.000 1.114 130 A CA 0.057 52.132 52.037 0.063 0.000 0.871 130 A CB 0.310 19.371 19.000 0.101 0.000 1.201 130 A HN 0.510 nan 8.150 nan 0.000 0.506 131 G N -0.907 107.923 108.800 0.050 0.000 2.494 131 G HA2 0.480 4.441 3.960 0.001 0.000 0.270 131 G HA3 0.480 4.441 3.960 0.001 0.000 0.270 131 G C -0.251 174.682 174.900 0.055 0.000 1.423 131 G CA -0.389 44.735 45.100 0.040 0.000 1.055 131 G HN 0.769 nan 8.290 nan 0.000 0.536 132 K N -0.186 120.233 120.400 0.032 0.000 2.378 132 K HA 0.282 4.603 4.320 0.001 0.000 0.252 132 K C -1.107 175.489 176.600 -0.005 0.000 0.931 132 K CA -0.753 55.550 56.287 0.027 0.000 0.794 132 K CB 1.103 33.611 32.500 0.014 0.000 1.181 132 K HN 0.404 nan 8.250 nan 0.000 0.425 133 N N 2.932 121.623 118.700 -0.015 0.000 2.473 133 N HA 0.370 5.111 4.740 0.001 0.000 0.291 133 N C -0.872 174.503 175.510 -0.225 0.000 1.083 133 N CA -0.323 52.671 53.050 -0.093 0.000 0.951 133 N CB 0.975 39.426 38.487 -0.059 0.000 1.164 133 N HN 0.410 nan 8.380 nan 0.000 0.480 134 I N 2.187 122.621 120.570 -0.226 0.000 2.433 134 I HA 0.155 4.326 4.170 0.001 0.000 0.292 134 I C -0.260 175.706 176.117 -0.252 0.000 1.001 134 I CA -0.540 60.605 61.300 -0.257 0.000 1.119 134 I CB 0.962 38.894 38.000 -0.113 0.000 1.289 134 I HN 0.323 nan 8.210 nan 0.000 0.438 135 H N 5.262 124.338 119.070 0.011 0.000 2.489 135 H HA 0.489 5.045 4.556 0.001 0.000 0.322 135 H C -0.636 174.693 175.328 0.002 0.000 1.091 135 H CA -0.579 55.472 56.048 0.005 0.000 1.291 135 H CB 1.401 31.171 29.762 0.012 0.000 1.436 135 H HN 0.511 nan 8.280 nan 0.000 0.480 136 E N 2.069 122.338 120.200 0.115 0.000 2.528 136 E HA 0.399 4.750 4.350 0.001 0.000 0.277 136 E C 0.391 177.017 176.600 0.043 0.000 0.980 136 E CA -0.096 56.338 56.400 0.057 0.000 0.796 136 E CB 0.380 30.097 29.700 0.029 0.000 1.427 136 E HN 0.924 nan 8.360 nan 0.000 0.394 137 G N 4.419 113.241 108.800 0.035 0.000 2.531 137 G HA2 -0.348 3.613 3.960 0.001 0.000 0.274 137 G HA3 -0.348 3.613 3.960 0.001 0.000 0.274 137 G C 0.373 175.281 174.900 0.013 0.000 1.159 137 G CA 0.337 45.447 45.100 0.018 0.000 0.969 137 G HN 0.713 nan 8.290 nan 0.000 0.554 138 D N 1.304 121.707 120.400 0.005 0.000 2.325 138 D HA 0.259 4.899 4.640 0.001 0.000 0.225 138 D C 0.745 177.046 176.300 0.001 0.000 1.096 138 D CA 0.566 54.564 54.000 -0.003 0.000 0.844 138 D CB 0.199 40.995 40.800 -0.007 0.000 0.925 138 D HN 0.611 nan 8.370 nan 0.000 0.513 139 K N -0.638 119.772 120.400 0.016 0.000 2.340 139 K HA 0.534 4.855 4.320 0.001 0.000 0.244 139 K C -0.756 175.881 176.600 0.062 0.000 0.973 139 K CA -0.688 55.613 56.287 0.023 0.000 0.828 139 K CB 2.158 34.667 32.500 0.014 0.000 1.226 139 K HN -0.213 nan 8.250 nan 0.000 0.437 140 T N 1.929 116.521 114.554 0.062 0.000 2.797 140 T HA 0.414 4.765 4.350 0.001 0.000 0.279 140 T C -0.998 173.718 174.700 0.026 0.000 0.991 140 T CA -0.652 61.510 62.100 0.103 0.000 0.979 140 T CB 0.608 69.557 68.868 0.135 0.000 0.943 140 T HN 0.124 nan 8.240 nan 0.000 0.444 141 L N 3.824 125.049 121.223 0.002 0.000 2.282 141 L HA 0.526 4.867 4.340 0.001 0.000 0.288 141 L C -0.383 176.464 176.870 -0.038 0.000 1.033 141 L CA -0.409 54.419 54.840 -0.021 0.000 0.807 141 L CB 1.646 43.691 42.059 -0.024 0.000 1.209 141 L HN 0.394 nan 8.230 nan 0.000 0.423 142 V N 2.569 122.463 119.914 -0.033 0.000 2.347 142 V HA 0.340 4.460 4.120 0.001 0.000 0.280 142 V C -0.545 175.531 176.094 -0.030 0.000 1.021 142 V CA -0.681 61.599 62.300 -0.033 0.000 0.847 142 V CB 1.531 33.334 31.823 -0.032 0.000 0.990 142 V HN 0.619 nan 8.190 nan 0.000 0.444 143 D N 4.479 124.861 120.400 -0.030 0.000 2.349 143 D HA 0.351 4.992 4.640 0.001 0.000 0.232 143 D C 0.341 176.630 176.300 -0.019 0.000 1.071 143 D CA -0.270 53.712 54.000 -0.030 0.000 0.832 143 D CB 1.635 42.410 40.800 -0.041 0.000 1.086 143 D HN 0.436 nan 8.370 nan 0.000 0.504 144 L N 3.816 125.029 121.223 -0.018 0.000 2.728 144 L HA 0.152 4.493 4.340 0.001 0.000 0.235 144 L C 1.546 178.411 176.870 -0.008 0.000 1.197 144 L CA -0.269 54.564 54.840 -0.011 0.000 0.992 144 L CB -0.173 41.876 42.059 -0.016 0.000 1.263 144 L HN 0.303 nan 8.230 nan 0.000 0.484 145 N N 1.108 119.800 118.700 -0.013 0.000 2.205 145 N HA -0.209 4.532 4.740 0.001 0.000 0.186 145 N C 1.886 177.399 175.510 0.006 0.000 1.015 145 N CA 1.200 54.244 53.050 -0.010 0.000 0.862 145 N CB -0.003 38.469 38.487 -0.025 0.000 0.986 145 N HN 0.387 nan 8.380 nan 0.000 0.429 146 R N 0.730 121.239 120.500 0.014 0.000 2.254 146 R HA 0.247 4.587 4.340 0.001 0.000 0.195 146 R C 0.217 176.538 176.300 0.036 0.000 0.957 146 R CA 0.030 56.151 56.100 0.035 0.000 1.024 146 R CB 0.096 30.425 30.300 0.049 0.000 0.952 146 R HN 0.015 nan 8.270 nan 0.000 0.484 147 A N 0.508 123.343 122.820 0.025 0.000 2.548 147 A HA 0.371 4.692 4.320 0.001 0.000 0.247 147 A C 1.079 178.682 177.584 0.032 0.000 1.067 147 A CA 0.753 52.804 52.037 0.024 0.000 0.757 147 A CB -0.429 18.573 19.000 0.003 0.000 0.996 147 A HN 0.649 nan 8.150 nan 0.000 0.504 148 G N 2.285 111.116 108.800 0.053 0.000 2.176 148 G HA2 -0.213 3.747 3.960 0.001 0.000 0.253 148 G HA3 -0.213 3.747 3.960 0.001 0.000 0.253 148 G C 0.436 175.352 174.900 0.026 0.000 0.979 148 G CA 0.396 45.539 45.100 0.072 0.000 0.641 148 G HN 1.226 nan 8.290 nan 0.000 0.530 149 T N 3.310 117.882 114.554 0.030 0.000 2.916 149 T HA 0.448 4.799 4.350 0.001 0.000 0.303 149 T C -2.124 172.583 174.700 0.013 0.000 1.025 149 T CA -0.183 61.927 62.100 0.018 0.000 1.142 149 T CB 1.466 70.360 68.868 0.044 0.000 0.947 149 T HN 0.147 nan 8.240 nan 0.000 0.544 150 P HA 0.350 nan 4.420 nan 0.000 0.276 150 P C -0.781 176.550 177.300 0.051 0.000 1.230 150 P CA -0.220 62.868 63.100 -0.019 0.000 0.776 150 P CB 0.473 32.140 31.700 -0.056 0.000 0.888 151 L N 2.872 124.149 121.223 0.090 0.000 2.401 151 L HA 0.537 4.878 4.340 0.001 0.000 0.266 151 L C 0.060 176.994 176.870 0.107 0.000 0.991 151 L CA -0.835 54.079 54.840 0.123 0.000 0.818 151 L CB 2.003 44.182 42.059 0.200 0.000 1.321 151 L HN 0.205 nan 8.230 nan 0.000 0.413 152 M N 2.314 121.949 119.600 0.059 0.000 2.129 152 M HA 0.296 4.777 4.480 0.001 0.000 0.348 152 M C -0.280 175.946 176.300 -0.123 0.000 1.116 152 M CA -0.171 55.124 55.300 -0.009 0.000 1.022 152 M CB 1.485 34.076 32.600 -0.016 0.000 1.599 152 M HN 0.460 nan 8.290 nan 0.000 0.449 153 E N 4.530 124.550 120.200 -0.300 0.000 2.130 153 E HA 0.393 4.744 4.350 0.001 0.000 0.284 153 E C -1.352 174.957 176.600 -0.486 0.000 1.018 153 E CA -0.317 55.731 56.400 -0.586 0.000 0.817 153 E CB 0.771 29.975 29.700 -0.827 0.000 1.078 153 E HN 0.619 nan 8.360 nan 0.000 0.396 154 I N 5.146 125.525 120.570 -0.318 0.000 2.362 154 I HA 0.262 4.432 4.170 0.001 0.000 0.289 154 I C -0.756 175.289 176.117 -0.121 0.000 0.994 154 I CA -0.974 60.226 61.300 -0.167 0.000 1.158 154 I CB 1.639 39.599 38.000 -0.066 0.000 1.315 154 I HN 0.268 nan 8.210 nan 0.000 0.451 155 V N 4.755 124.613 119.914 -0.094 0.000 2.495 155 V HA 0.392 4.513 4.120 0.001 0.000 0.298 155 V C 0.261 176.328 176.094 -0.045 0.000 1.031 155 V CA -0.518 61.744 62.300 -0.064 0.000 0.871 155 V CB 1.846 33.637 31.823 -0.054 0.000 0.988 155 V HN 0.681 nan 8.190 nan 0.000 0.432 156 T N 3.634 118.143 114.554 -0.075 0.000 2.922 156 T HA 0.312 4.663 4.350 0.001 0.000 0.285 156 T C 0.037 174.674 174.700 -0.104 0.000 1.005 156 T CA -0.441 61.581 62.100 -0.130 0.000 1.061 156 T CB 0.876 69.570 68.868 -0.289 0.000 1.007 156 T HN 0.676 nan 8.240 nan 0.000 0.502 157 E N 2.965 123.112 120.200 -0.088 0.000 2.374 157 E HA 0.161 4.512 4.350 0.001 0.000 0.260 157 E C -2.019 174.531 176.600 -0.084 0.000 1.101 157 E CA -2.134 54.223 56.400 -0.071 0.000 0.907 157 E CB 0.355 30.036 29.700 -0.032 0.000 1.014 157 E HN 0.333 nan 8.360 nan 0.000 0.427 158 P HA 0.096 nan 4.420 nan 0.000 0.231 158 P C -0.415 176.905 177.300 0.033 0.000 1.756 158 P CA 0.194 63.286 63.100 -0.012 0.000 0.990 158 P CB -0.037 31.674 31.700 0.019 0.000 1.973 159 D N -0.166 120.212 120.400 -0.036 0.000 2.367 159 D HA 0.121 4.762 4.640 0.001 0.000 0.207 159 D C 1.019 177.289 176.300 -0.050 0.000 1.034 159 D CA 0.214 54.197 54.000 -0.029 0.000 0.861 159 D CB 0.254 41.027 40.800 -0.045 0.000 0.943 159 D HN 0.324 nan 8.370 nan 0.000 0.515 160 I N 1.100 121.618 120.570 -0.087 0.000 2.575 160 I HA 0.099 4.269 4.170 0.001 0.000 0.285 160 I C 1.493 177.588 176.117 -0.036 0.000 1.085 160 I CA -0.038 61.213 61.300 -0.082 0.000 1.403 160 I CB 1.068 38.988 38.000 -0.133 0.000 1.409 160 I HN -0.301 nan 8.210 nan 0.000 0.557 161 R N 2.522 123.007 120.500 -0.025 0.000 2.487 161 R HA 0.301 4.642 4.340 0.001 0.000 0.272 161 R C -0.290 176.006 176.300 -0.008 0.000 0.928 161 R CA 0.180 56.274 56.100 -0.011 0.000 1.077 161 R CB 0.915 31.208 30.300 -0.011 0.000 1.265 161 R HN 0.565 nan 8.270 nan 0.000 0.537 162 T N 0.554 115.101 114.554 -0.011 0.000 2.982 162 T HA 0.268 4.618 4.350 0.001 0.000 0.321 162 T C -2.356 172.340 174.700 -0.005 0.000 1.229 162 T CA -1.243 60.855 62.100 -0.005 0.000 1.044 162 T CB 2.549 71.415 68.868 -0.003 0.000 1.184 162 T HN -0.252 nan 8.240 nan 0.000 0.477 163 P HA -0.105 nan 4.420 nan 0.000 0.216 163 P C 1.260 178.561 177.300 0.001 0.000 1.150 163 P CA 0.948 64.048 63.100 0.000 0.000 0.837 163 P CB 0.338 32.044 31.700 0.009 0.000 0.786 164 E N 0.366 120.568 120.200 0.003 0.000 2.072 164 E HA -0.224 4.127 4.350 0.001 0.000 0.191 164 E C 1.850 178.448 176.600 -0.004 0.000 0.985 164 E CA 1.101 57.501 56.400 0.000 0.000 0.801 164 E CB -0.365 29.336 29.700 0.002 0.000 0.750 164 E HN 0.218 nan 8.360 nan 0.000 0.452 165 E N 0.139 120.338 120.200 -0.002 0.000 2.118 165 E HA -0.211 4.139 4.350 0.001 0.000 0.195 165 E C 2.014 178.628 176.600 0.023 0.000 0.992 165 E CA 0.984 57.388 56.400 0.006 0.000 0.804 165 E CB -0.145 29.554 29.700 -0.002 0.000 0.741 165 E HN 0.423 nan 8.360 nan 0.000 0.458 166 A N 1.337 124.161 122.820 0.006 0.000 1.877 166 A HA -0.232 4.089 4.320 0.001 0.000 0.216 166 A C 2.087 179.681 177.584 0.016 0.000 1.186 166 A CA 1.624 53.670 52.037 0.015 0.000 0.620 166 A CB -0.454 18.543 19.000 -0.005 0.000 0.822 166 A HN 0.100 nan 8.150 nan 0.000 0.443 167 R N -0.438 120.047 120.500 -0.025 0.000 2.070 167 R HA -0.052 4.288 4.340 0.001 0.000 0.233 167 R C 2.086 178.282 176.300 -0.172 0.000 1.137 167 R CA 1.562 57.606 56.100 -0.094 0.000 0.945 167 R CB -0.448 29.833 30.300 -0.032 0.000 0.845 167 R HN 0.506 nan 8.270 nan 0.000 0.430 168 L N 0.167 121.338 121.223 -0.087 0.000 2.042 168 L HA -0.223 4.118 4.340 0.001 0.000 0.210 168 L C 2.403 179.203 176.870 -0.117 0.000 1.076 168 L CA 1.399 56.181 54.840 -0.098 0.000 0.749 168 L CB -0.546 41.485 42.059 -0.046 0.000 0.893 168 L HN 0.240 nan 8.230 nan 0.000 0.432 169 F N 0.572 120.417 119.950 -0.175 0.000 2.069 169 F HA -0.274 4.253 4.527 0.001 0.000 0.298 169 F C 2.255 177.900 175.800 -0.258 0.000 1.113 169 F CA 1.668 59.565 58.000 -0.172 0.000 1.214 169 F CB -0.315 38.609 39.000 -0.125 0.000 0.978 169 F HN -0.138 nan 8.300 nan 0.000 0.474 170 L N 0.008 121.017 121.223 -0.357 0.000 2.079 170 L HA -0.248 4.093 4.340 0.001 0.000 0.210 170 L C 2.432 178.715 176.870 -0.980 0.000 1.081 170 L CA 1.843 56.255 54.840 -0.713 0.000 0.752 170 L CB -0.677 40.872 42.059 -0.850 0.000 0.896 170 L HN 0.244 nan 8.230 nan 0.000 0.433 171 E N -0.354 119.350 120.200 -0.826 0.000 2.072 171 E HA -0.267 4.084 4.350 0.001 0.000 0.191 171 E C 2.090 178.508 176.600 -0.305 0.000 0.985 171 E CA 1.146 57.260 56.400 -0.476 0.000 0.801 171 E CB 0.084 29.628 29.700 -0.260 0.000 0.750 171 E HN 0.172 nan 8.360 nan 0.000 0.452 172 K N 0.903 121.092 120.400 -0.351 0.000 2.025 172 K HA -0.139 4.181 4.320 0.001 0.000 0.207 172 K C 1.981 178.371 176.600 -0.351 0.000 1.049 172 K CA 0.689 56.790 56.287 -0.311 0.000 0.933 172 K CB -0.397 31.925 32.500 -0.297 0.000 0.714 172 K HN 0.041 nan 8.250 nan 0.000 0.438 173 L N 1.403 122.302 121.223 -0.541 0.000 2.013 173 L HA -0.161 4.180 4.340 0.001 0.000 0.212 173 L C 2.331 179.061 176.870 -0.233 0.000 1.073 173 L CA 1.988 56.551 54.840 -0.463 0.000 0.753 173 L CB -0.700 40.975 42.059 -0.640 0.000 0.890 173 L HN 0.264 nan 8.230 nan 0.000 0.432 174 R N -0.692 119.703 120.500 -0.174 0.000 2.083 174 R HA -0.234 4.107 4.340 0.001 0.000 0.237 174 R C 2.213 178.509 176.300 -0.007 0.000 1.137 174 R CA 1.898 57.989 56.100 -0.015 0.000 0.951 174 R CB -0.430 29.954 30.300 0.140 0.000 0.851 174 R HN 0.476 nan 8.270 nan 0.000 0.434 175 N N 0.464 119.147 118.700 -0.029 0.000 2.188 175 N HA -0.078 4.662 4.740 0.001 0.000 0.184 175 N C 1.751 177.302 175.510 0.068 0.000 1.018 175 N CA 1.314 54.396 53.050 0.053 0.000 0.858 175 N CB -0.085 38.404 38.487 0.002 0.000 0.989 175 N HN 0.261 nan 8.380 nan 0.000 0.426 176 I N 0.124 120.649 120.570 -0.074 0.000 2.163 176 I HA -0.291 3.879 4.170 0.001 0.000 0.243 176 I C 2.079 178.183 176.117 -0.021 0.000 1.085 176 I CA 0.872 62.125 61.300 -0.079 0.000 1.347 176 I CB -0.254 37.657 38.000 -0.148 0.000 1.044 176 I HN 0.158 nan 8.210 nan 0.000 0.408 177 M N 0.195 119.768 119.600 -0.044 0.000 2.080 177 M HA -0.206 4.274 4.480 0.001 0.000 0.260 177 M C 2.421 178.707 176.300 -0.024 0.000 1.068 177 M CA 1.817 57.090 55.300 -0.045 0.000 1.109 177 M CB -1.329 31.246 32.600 -0.041 0.000 1.342 177 M HN 0.220 nan 8.290 nan 0.000 0.405 178 R N -1.219 119.296 120.500 0.025 0.000 2.073 178 R HA -0.163 4.178 4.340 0.001 0.000 0.234 178 R C 2.248 178.552 176.300 0.006 0.000 1.134 178 R CA 1.496 57.606 56.100 0.016 0.000 0.952 178 R CB -0.511 29.816 30.300 0.044 0.000 0.850 178 R HN 0.308 nan 8.270 nan 0.000 0.433 179 Y N 0.524 120.789 120.300 -0.059 0.000 2.145 179 Y HA -0.198 4.353 4.550 0.001 0.000 0.286 179 Y C 2.490 178.344 175.900 -0.078 0.000 1.145 179 Y CA 1.491 59.559 58.100 -0.053 0.000 1.148 179 Y CB -0.462 37.972 38.460 -0.044 0.000 0.981 179 Y HN 0.132 nan 8.280 nan 0.000 0.507 180 A N -0.576 122.275 122.820 0.053 0.000 2.070 180 A HA 0.140 4.461 4.320 0.001 0.000 0.220 180 A C 2.075 179.569 177.584 -0.150 0.000 1.159 180 A CA 1.345 53.348 52.037 -0.057 0.000 0.656 180 A CB -1.246 17.698 19.000 -0.093 0.000 0.800 180 A HN 0.751 nan 8.150 nan 0.000 0.453 181 G N -1.728 106.980 108.800 -0.154 0.000 2.137 181 G HA2 -0.228 3.732 3.960 0.001 0.000 0.237 181 G HA3 -0.228 3.732 3.960 0.001 0.000 0.237 181 G C 0.910 175.572 174.900 -0.396 0.000 1.002 181 G CA 0.910 45.881 45.100 -0.215 0.000 0.702 181 G HN 1.539 nan 8.290 nan 0.000 0.515 182 V N -3.481 116.216 119.914 -0.362 0.000 2.992 182 V HA 0.651 4.772 4.120 0.001 0.000 0.250 182 V C 0.954 176.979 176.094 -0.116 0.000 1.090 182 V CA 1.517 63.545 62.300 -0.453 0.000 1.101 182 V CB 0.810 32.461 31.823 -0.287 0.000 0.743 182 V HN 1.502 nan 8.190 nan 0.000 0.468 183 S N -1.055 114.603 115.700 -0.070 0.000 2.537 183 S HA 0.429 4.900 4.470 0.001 0.000 0.271 183 S C 0.155 174.745 174.600 -0.016 0.000 1.148 183 S CA -0.699 57.499 58.200 -0.004 0.000 0.868 183 S CB 1.973 65.180 63.200 0.011 0.000 1.115 183 S HN 0.131 nan 8.310 nan 0.000 0.461 184 K N 2.041 122.436 120.400 -0.009 0.000 2.228 184 K HA 0.202 4.523 4.320 0.001 0.000 0.202 184 K C 1.363 177.949 176.600 -0.025 0.000 1.051 184 K CA 1.046 57.319 56.287 -0.024 0.000 0.960 184 K CB -0.816 31.662 32.500 -0.036 0.000 0.743 184 K HN 1.446 nan 8.250 nan 0.000 0.458 185 A N 2.171 124.982 122.820 -0.015 0.000 2.832 185 A HA -0.167 4.153 4.320 0.001 0.000 0.280 185 A C -0.737 176.838 177.584 -0.015 0.000 1.464 185 A CA 1.008 53.048 52.037 0.006 0.000 0.804 185 A CB -1.883 17.135 19.000 0.030 0.000 1.020 185 A HN 0.283 nan 8.150 nan 0.000 0.563 186 D N -0.082 120.271 120.400 -0.078 0.000 2.280 186 D HA 0.460 5.101 4.640 0.001 0.000 0.243 186 D C 1.582 177.777 176.300 -0.175 0.000 1.129 186 D CA -0.408 53.501 54.000 -0.153 0.000 0.848 186 D CB 0.800 41.501 40.800 -0.164 0.000 1.107 186 D HN 0.421 nan 8.370 nan 0.000 0.471 187 M N 0.833 120.280 119.600 -0.256 0.000 2.149 187 M HA -0.186 4.295 4.480 0.001 0.000 0.261 187 M C 1.803 178.015 176.300 -0.147 0.000 1.064 187 M CA 1.344 56.528 55.300 -0.194 0.000 1.102 187 M CB -0.123 32.307 32.600 -0.283 0.000 1.369 187 M HN 0.486 nan 8.290 nan 0.000 0.408 188 E N 1.022 121.111 120.200 -0.185 0.000 2.114 188 E HA -0.236 4.115 4.350 0.001 0.000 0.199 188 E C 1.080 177.581 176.600 -0.166 0.000 1.008 188 E CA 1.528 57.842 56.400 -0.144 0.000 0.810 188 E CB 0.071 29.676 29.700 -0.158 0.000 0.739 188 E HN 0.462 nan 8.360 nan 0.000 0.456 189 K N -1.409 118.836 120.400 -0.259 0.000 2.397 189 K HA 0.162 4.483 4.320 0.001 0.000 0.202 189 K C 0.645 177.087 176.600 -0.264 0.000 1.022 189 K CA 0.482 56.475 56.287 -0.489 0.000 1.141 189 K CB 1.038 33.145 32.500 -0.655 0.000 0.857 189 K HN 0.231 nan 8.250 nan 0.000 0.514 190 G N 1.536 110.282 108.800 -0.090 0.000 2.153 190 G HA2 -0.356 3.605 3.960 0.001 0.000 0.252 190 G HA3 -0.356 3.605 3.960 0.001 0.000 0.252 190 G C 0.647 175.554 174.900 0.012 0.000 0.994 190 G CA 0.467 45.573 45.100 0.010 0.000 0.698 190 G HN 0.445 nan 8.290 nan 0.000 0.521 191 Q N -1.253 118.528 119.800 -0.033 0.000 2.432 191 Q HA 0.425 4.766 4.340 0.001 0.000 0.205 191 Q C 0.996 177.014 176.000 0.031 0.000 0.945 191 Q CA 0.689 56.489 55.803 -0.005 0.000 0.924 191 Q CB 0.588 29.300 28.738 -0.043 0.000 1.016 191 Q HN 0.633 nan 8.270 nan 0.000 0.503 192 L N 0.598 121.842 121.223 0.035 0.000 2.476 192 L HA 0.446 4.786 4.340 0.001 0.000 0.269 192 L C -1.366 175.565 176.870 0.101 0.000 0.965 192 L CA -0.528 54.362 54.840 0.084 0.000 0.845 192 L CB 1.592 43.715 42.059 0.106 0.000 1.259 192 L HN -0.120 nan 8.230 nan 0.000 0.403 193 R N 3.071 123.657 120.500 0.142 0.000 2.732 193 R HA 0.701 5.042 4.340 0.001 0.000 0.278 193 R C -1.539 174.874 176.300 0.188 0.000 0.976 193 R CA -0.601 55.589 56.100 0.149 0.000 0.963 193 R CB 2.106 32.484 30.300 0.129 0.000 1.150 193 R HN 0.639 nan 8.270 nan 0.000 0.478 194 C N 2.051 121.454 119.300 0.171 0.000 2.516 194 C HA 0.396 4.857 4.460 0.001 0.000 0.338 194 C C -1.575 173.497 174.990 0.135 0.000 1.132 194 C CA -0.669 58.449 59.018 0.167 0.000 1.310 194 C CB 0.821 28.669 27.740 0.181 0.000 1.898 194 C HN 0.720 nan 8.230 nan 0.000 0.452 195 D N 5.079 125.556 120.400 0.128 0.000 2.192 195 D HA 0.550 5.191 4.640 0.001 0.000 0.246 195 D C -0.281 176.060 176.300 0.068 0.000 1.042 195 D CA 0.069 54.127 54.000 0.097 0.000 0.847 195 D CB 1.758 42.619 40.800 0.103 0.000 1.186 195 D HN 0.555 nan 8.370 nan 0.000 0.461 196 I N 1.872 122.472 120.570 0.050 0.000 2.412 196 I HA 0.268 4.439 4.170 0.001 0.000 0.296 196 I C 0.122 176.251 176.117 0.021 0.000 0.987 196 I CA -0.756 60.560 61.300 0.027 0.000 1.180 196 I CB 1.162 39.171 38.000 0.015 0.000 1.340 196 I HN 0.019 nan 8.210 nan 0.000 0.455 197 N N 5.488 124.192 118.700 0.006 0.000 2.314 197 N HA 0.574 5.315 4.740 0.001 0.000 0.294 197 N C -1.479 174.031 175.510 0.001 0.000 1.029 197 N CA -0.427 52.626 53.050 0.005 0.000 0.845 197 N CB 3.376 41.860 38.487 -0.004 0.000 1.321 197 N HN 0.268 nan 8.380 nan 0.000 0.481 198 V N 1.179 121.098 119.914 0.009 0.000 2.851 198 V HA 0.615 4.736 4.120 0.001 0.000 0.307 198 V C -0.990 175.115 176.094 0.018 0.000 1.129 198 V CA -0.358 61.949 62.300 0.011 0.000 0.932 198 V CB 1.916 33.740 31.823 0.001 0.000 1.024 198 V HN 0.894 nan 8.190 nan 0.000 0.426 199 S N 6.577 122.298 115.700 0.036 0.000 2.632 199 S HA 0.845 5.316 4.470 0.001 0.000 0.289 199 S C -0.607 174.009 174.600 0.026 0.000 1.115 199 S CA -0.644 57.580 58.200 0.040 0.000 0.889 199 S CB 1.949 65.206 63.200 0.095 0.000 1.116 199 S HN 1.432 nan 8.310 nan 0.000 0.486 200 I N -1.338 119.231 120.570 -0.002 0.000 3.023 200 I HA 0.892 5.062 4.170 0.001 0.000 0.312 200 I C -0.575 175.562 176.117 0.034 0.000 1.056 200 I CA -1.281 60.012 61.300 -0.011 0.000 1.033 200 I CB 2.008 39.938 38.000 -0.116 0.000 1.233 200 I HN 0.932 nan 8.210 nan 0.000 0.462 201 R N 2.849 123.414 120.500 0.109 0.000 2.560 201 R HA 0.411 4.752 4.340 0.001 0.000 0.267 201 R C -3.016 173.403 176.300 0.198 0.000 1.150 201 R CA -1.328 54.837 56.100 0.107 0.000 0.997 201 R CB 2.079 32.374 30.300 -0.009 0.000 1.250 201 R HN 0.446 nan 8.270 nan 0.000 0.433 202 P HA -0.112 nan 4.420 nan 0.000 0.261 202 P C -0.754 176.507 177.300 -0.065 0.000 1.173 202 P CA 0.281 63.360 63.100 -0.035 0.000 0.760 202 P CB 0.495 32.157 31.700 -0.063 0.000 0.783 203 K N 2.158 122.492 120.400 -0.112 0.000 2.524 203 K HA 0.059 4.379 4.320 0.001 0.000 0.279 203 K C 1.469 178.022 176.600 -0.078 0.000 0.993 203 K CA 1.460 57.699 56.287 -0.079 0.000 1.030 203 K CB -0.385 32.063 32.500 -0.086 0.000 0.891 203 K HN 0.842 nan 8.250 nan 0.000 0.488 204 G N 1.927 110.684 108.800 -0.071 0.000 2.189 204 G HA2 -0.299 3.662 3.960 0.001 0.000 0.267 204 G HA3 -0.299 3.662 3.960 0.001 0.000 0.267 204 G C 0.221 175.072 174.900 -0.082 0.000 0.975 204 G CA 0.762 45.819 45.100 -0.072 0.000 0.644 204 G HN 0.656 nan 8.290 nan 0.000 0.537 205 S N -0.625 115.020 115.700 -0.091 0.000 2.585 205 S HA 0.535 5.006 4.470 0.001 0.000 0.273 205 S C 1.322 175.827 174.600 -0.158 0.000 1.339 205 S CA 0.723 58.861 58.200 -0.104 0.000 1.028 205 S CB 1.009 64.156 63.200 -0.088 0.000 0.906 205 S HN 0.382 nan 8.310 nan 0.000 0.528 206 K N 0.970 121.275 120.400 -0.158 0.000 2.360 206 K HA 0.243 4.564 4.320 0.001 0.000 0.196 206 K C 0.067 176.494 176.600 -0.288 0.000 1.049 206 K CA -0.084 56.076 56.287 -0.211 0.000 1.049 206 K CB 0.283 32.713 32.500 -0.116 0.000 0.881 206 K HN 0.491 nan 8.250 nan 0.000 0.542 207 E N 0.143 120.221 120.200 -0.204 0.000 2.374 207 E HA 0.191 4.542 4.350 0.001 0.000 0.260 207 E C -0.989 175.457 176.600 -0.256 0.000 1.101 207 E CA -0.012 56.308 56.400 -0.133 0.000 0.907 207 E CB 0.423 30.102 29.700 -0.035 0.000 1.014 207 E HN -0.112 nan 8.360 nan 0.000 0.427 208 F N 0.649 120.603 119.950 0.006 0.000 2.436 208 F HA 0.475 5.003 4.527 0.001 0.000 0.340 208 F C 1.059 176.863 175.800 0.007 0.000 1.113 208 F CA -0.410 57.593 58.000 0.005 0.000 1.022 208 F CB 1.703 40.703 39.000 0.001 0.000 1.128 208 F HN 0.441 nan 8.300 nan 0.000 0.466 209 G N 1.319 110.228 108.800 0.180 0.000 2.599 209 G HA2 0.351 4.312 3.960 0.001 0.000 0.264 209 G HA3 0.351 4.312 3.960 0.001 0.000 0.264 209 G C -0.455 174.508 174.900 0.104 0.000 1.200 209 G CA -0.607 44.556 45.100 0.106 0.000 0.896 209 G HN 0.534 nan 8.290 nan 0.000 0.536 210 T N 0.113 114.702 114.554 0.058 0.000 2.928 210 T HA 0.197 4.548 4.350 0.001 0.000 0.305 210 T C 0.646 175.367 174.700 0.034 0.000 1.035 210 T CA 0.187 62.312 62.100 0.041 0.000 1.145 210 T CB 0.642 69.524 68.868 0.024 0.000 0.963 210 T HN 0.554 nan 8.240 nan 0.000 0.545 211 R N 2.311 122.829 120.500 0.029 0.000 2.265 211 R HA 0.519 4.859 4.340 0.001 0.000 0.319 211 R C -1.273 175.038 176.300 0.019 0.000 1.006 211 R CA -0.529 55.585 56.100 0.022 0.000 0.880 211 R CB 0.598 30.904 30.300 0.011 0.000 1.077 211 R HN 0.450 nan 8.270 nan 0.000 0.454 212 V N 3.742 123.666 119.914 0.017 0.000 2.483 212 V HA 0.305 4.426 4.120 0.001 0.000 0.295 212 V C -0.127 175.982 176.094 0.025 0.000 1.035 212 V CA -0.682 61.631 62.300 0.022 0.000 0.896 212 V CB 1.677 33.511 31.823 0.019 0.000 0.986 212 V HN 0.769 nan 8.190 nan 0.000 0.447 213 E N 3.920 124.140 120.200 0.033 0.000 2.145 213 E HA 0.507 4.858 4.350 0.001 0.000 0.270 213 E C -1.322 175.307 176.600 0.049 0.000 0.906 213 E CA -0.489 55.934 56.400 0.038 0.000 0.761 213 E CB 1.729 31.453 29.700 0.040 0.000 1.116 213 E HN 0.557 nan 8.360 nan 0.000 0.408 214 I N 3.824 124.424 120.570 0.050 0.000 2.330 214 I HA 0.319 4.490 4.170 0.001 0.000 0.289 214 I C 0.431 176.590 176.117 0.070 0.000 1.001 214 I CA -0.552 60.787 61.300 0.065 0.000 1.193 214 I CB 1.184 39.220 38.000 0.060 0.000 1.345 214 I HN 0.061 nan 8.210 nan 0.000 0.461 215 K N 4.050 124.498 120.400 0.081 0.000 2.185 215 K HA 0.442 4.763 4.320 0.001 0.000 0.240 215 K C -0.160 176.499 176.600 0.098 0.000 0.983 215 K CA -0.943 55.392 56.287 0.081 0.000 0.873 215 K CB 1.121 33.660 32.500 0.064 0.000 1.118 215 K HN 0.524 nan 8.250 nan 0.000 0.441 216 N N -0.136 118.621 118.700 0.095 0.000 2.688 216 N HA -0.171 4.570 4.740 0.001 0.000 0.258 216 N C -1.192 174.402 175.510 0.140 0.000 1.016 216 N CA 0.059 53.174 53.050 0.108 0.000 0.747 216 N CB -0.988 37.557 38.487 0.097 0.000 0.895 216 N HN 0.134 nan 8.380 nan 0.000 0.543 217 V N 0.262 120.259 119.914 0.138 0.000 2.407 217 V HA 0.217 4.338 4.120 0.001 0.000 0.278 217 V C 0.946 177.159 176.094 0.198 0.000 1.037 217 V CA -0.451 61.946 62.300 0.162 0.000 0.900 217 V CB 1.753 33.607 31.823 0.053 0.000 0.983 217 V HN 0.329 nan 8.190 nan 0.000 0.459 218 N N 1.878 120.756 118.700 0.296 0.000 2.236 218 N HA 0.118 4.859 4.740 0.001 0.000 0.196 218 N C 0.199 175.823 175.510 0.189 0.000 1.114 218 N CA 0.237 53.437 53.050 0.249 0.000 0.859 218 N CB 0.550 39.190 38.487 0.256 0.000 0.982 218 N HN 0.862 nan 8.380 nan 0.000 0.493 219 S N -1.918 113.895 115.700 0.189 0.000 2.570 219 S HA 0.353 4.823 4.470 0.001 0.000 0.270 219 S C 0.044 174.644 174.600 -0.000 0.000 1.149 219 S CA -0.706 57.423 58.200 -0.118 0.000 0.837 219 S CB 0.216 63.157 63.200 -0.433 0.000 1.124 219 S HN -0.149 nan 8.310 nan 0.000 0.465 220 F N 1.414 121.306 119.950 -0.098 0.000 2.171 220 F HA 0.099 4.627 4.527 0.001 0.000 0.300 220 F C 2.686 178.428 175.800 -0.096 0.000 1.090 220 F CA 0.840 58.795 58.000 -0.074 0.000 1.293 220 F CB -0.779 38.178 39.000 -0.072 0.000 1.013 220 F HN 0.508 nan 8.300 nan 0.000 0.486 221 R N -0.414 120.076 120.500 -0.017 0.000 2.075 221 R HA -0.121 4.220 4.340 0.001 0.000 0.232 221 R C 2.179 178.473 176.300 -0.010 0.000 1.126 221 R CA 1.049 57.099 56.100 -0.084 0.000 0.963 221 R CB -1.204 28.953 30.300 -0.237 0.000 0.858 221 R HN 0.225 nan 8.270 nan 0.000 0.435 222 F N 0.647 120.607 119.950 0.018 0.000 2.216 222 F HA -0.146 4.381 4.527 0.001 0.000 0.300 222 F C 2.459 178.049 175.800 -0.349 0.000 1.085 222 F CA 0.895 58.831 58.000 -0.106 0.000 1.326 222 F CB -1.341 37.682 39.000 0.039 0.000 1.027 222 F HN -0.135 nan 8.300 nan 0.000 0.497 223 V N -1.140 118.783 119.914 0.014 0.000 2.515 223 V HA -0.269 3.852 4.120 0.001 0.000 0.250 223 V C 2.114 178.166 176.094 -0.069 0.000 1.058 223 V CA 1.993 64.260 62.300 -0.054 0.000 1.064 223 V CB -1.158 30.694 31.823 0.047 0.000 0.675 223 V HN 0.428 nan 8.190 nan 0.000 0.461 224 Q N 0.409 120.199 119.800 -0.016 0.000 2.046 224 Q HA -0.247 4.094 4.340 0.001 0.000 0.200 224 Q C 2.349 178.344 176.000 -0.008 0.000 0.975 224 Q CA 2.130 57.931 55.803 -0.003 0.000 0.836 224 Q CB -0.126 28.625 28.738 0.022 0.000 0.896 224 Q HN 0.607 nan 8.270 nan 0.000 0.428 225 K N 0.244 120.642 120.400 -0.004 0.000 2.026 225 K HA -0.065 4.256 4.320 0.001 0.000 0.208 225 K C 1.843 178.434 176.600 -0.015 0.000 1.048 225 K CA 1.403 57.729 56.287 0.065 0.000 0.929 225 K CB -0.559 32.095 32.500 0.255 0.000 0.713 225 K HN 0.331 nan 8.250 nan 0.000 0.439 226 A N 0.587 123.129 122.820 -0.464 0.000 1.892 226 A HA -0.195 4.126 4.320 0.001 0.000 0.218 226 A C 2.233 179.793 177.584 -0.041 0.000 1.188 226 A CA 1.808 53.599 52.037 -0.409 0.000 0.631 226 A CB -0.840 17.741 19.000 -0.699 0.000 0.822 226 A HN 0.302 nan 8.150 nan 0.000 0.447 227 L N -1.110 120.075 121.223 -0.063 0.000 2.056 227 L HA -0.197 4.143 4.340 0.001 0.000 0.207 227 L C 2.652 179.535 176.870 0.023 0.000 1.078 227 L CA 1.627 56.461 54.840 -0.011 0.000 0.749 227 L CB -0.532 41.515 42.059 -0.020 0.000 0.901 227 L HN 0.487 nan 8.230 nan 0.000 0.433 228 E N -0.808 119.420 120.200 0.046 0.000 2.070 228 E HA -0.320 4.030 4.350 0.001 0.000 0.197 228 E C 2.000 178.654 176.600 0.090 0.000 1.004 228 E CA 2.110 58.551 56.400 0.068 0.000 0.805 228 E CB -0.244 29.512 29.700 0.093 0.000 0.744 228 E HN 0.461 nan 8.360 nan 0.000 0.451 229 Y N 1.216 121.535 120.300 0.031 0.000 2.163 229 Y HA -0.225 4.325 4.550 0.001 0.000 0.288 229 Y C 2.369 178.272 175.900 0.005 0.000 1.136 229 Y CA 1.813 59.931 58.100 0.030 0.000 1.147 229 Y CB 0.088 38.584 38.460 0.060 0.000 0.987 229 Y HN -0.048 nan 8.280 nan 0.000 0.509 230 E N 0.816 121.007 120.200 -0.016 0.000 2.110 230 E HA -0.201 4.150 4.350 0.001 0.000 0.193 230 E C 1.948 178.453 176.600 -0.158 0.000 0.988 230 E CA 1.954 58.294 56.400 -0.100 0.000 0.804 230 E CB -0.577 29.134 29.700 0.019 0.000 0.745 230 E HN 0.667 nan 8.360 nan 0.000 0.458 231 I N 0.431 120.936 120.570 -0.108 0.000 2.163 231 I HA -0.281 3.889 4.170 0.001 0.000 0.243 231 I C 2.411 178.436 176.117 -0.153 0.000 1.085 231 I CA 1.568 62.806 61.300 -0.103 0.000 1.347 231 I CB -0.345 37.624 38.000 -0.052 0.000 1.044 231 I HN 0.195 nan 8.210 nan 0.000 0.408 232 E N 0.460 120.551 120.200 -0.181 0.000 2.038 232 E HA -0.290 4.061 4.350 0.001 0.000 0.195 232 E C 2.343 178.775 176.600 -0.281 0.000 1.000 232 E CA 1.224 57.501 56.400 -0.205 0.000 0.803 232 E CB -0.181 29.399 29.700 -0.199 0.000 0.750 232 E HN 0.301 nan 8.360 nan 0.000 0.448 233 R N 0.852 121.080 120.500 -0.452 0.000 2.096 233 R HA -0.237 4.103 4.340 0.001 0.000 0.240 233 R C 2.184 178.348 176.300 -0.225 0.000 1.139 233 R CA 1.931 57.791 56.100 -0.400 0.000 0.952 233 R CB -0.104 29.904 30.300 -0.486 0.000 0.854 233 R HN 0.286 nan 8.270 nan 0.000 0.436 234 Q N -0.133 119.544 119.800 -0.205 0.000 2.123 234 Q HA -0.100 4.241 4.340 0.001 0.000 0.199 234 Q C 2.279 178.138 176.000 -0.235 0.000 0.966 234 Q CA 1.408 57.104 55.803 -0.178 0.000 0.845 234 Q CB -0.011 28.633 28.738 -0.156 0.000 0.907 234 Q HN 0.436 nan 8.270 nan 0.000 0.439 235 I N 1.108 121.519 120.570 -0.264 0.000 2.179 235 I HA -0.294 3.877 4.170 0.001 0.000 0.242 235 I C 1.783 177.778 176.117 -0.204 0.000 1.088 235 I CA 0.765 61.865 61.300 -0.334 0.000 1.357 235 I CB -0.327 37.539 38.000 -0.224 0.000 1.051 235 I HN 0.202 nan 8.210 nan 0.000 0.409 236 N N 0.813 119.429 118.700 -0.140 0.000 2.011 236 N HA -0.189 4.551 4.740 0.001 0.000 0.199 236 N C 1.906 177.370 175.510 -0.077 0.000 1.047 236 N CA 1.546 54.544 53.050 -0.086 0.000 0.863 236 N CB -0.940 37.497 38.487 -0.083 0.000 1.056 236 N HN 0.090 nan 8.380 nan 0.000 0.427 237 V N 0.664 120.525 119.914 -0.089 0.000 2.250 237 V HA -0.253 3.868 4.120 0.001 0.000 0.253 237 V C 2.396 178.452 176.094 -0.063 0.000 1.065 237 V CA 1.643 63.904 62.300 -0.066 0.000 1.039 237 V CB -0.655 31.127 31.823 -0.068 0.000 0.647 237 V HN 0.135 nan 8.190 nan 0.000 0.446 238 V N -0.604 119.245 119.914 -0.109 0.000 2.358 238 V HA -0.212 3.908 4.120 0.001 0.000 0.246 238 V C 2.331 178.413 176.094 -0.019 0.000 1.047 238 V CA 1.986 64.230 62.300 -0.093 0.000 1.035 238 V CB -0.580 31.110 31.823 -0.222 0.000 0.658 238 V HN 0.612 nan 8.190 nan 0.000 0.452 239 E N -0.354 119.839 120.200 -0.012 0.000 2.371 239 E HA -0.107 4.244 4.350 0.001 0.000 0.194 239 E C 1.758 178.375 176.600 0.029 0.000 1.012 239 E CA 0.302 56.735 56.400 0.055 0.000 0.860 239 E CB 0.029 29.787 29.700 0.097 0.000 0.811 239 E HN 0.679 nan 8.360 nan 0.000 0.502 240 E N -0.128 120.076 120.200 0.006 0.000 2.502 240 E HA 0.006 4.356 4.350 0.001 0.000 0.194 240 E C 0.938 177.544 176.600 0.009 0.000 1.062 240 E CA 0.274 56.678 56.400 0.007 0.000 0.867 240 E CB 0.285 29.985 29.700 -0.001 0.000 0.888 240 E HN 0.349 nan 8.360 nan 0.000 0.510 241 G N 0.988 109.795 108.800 0.012 0.000 2.176 241 G HA2 -0.248 3.713 3.960 0.001 0.000 0.253 241 G HA3 -0.248 3.713 3.960 0.001 0.000 0.253 241 G C 0.470 175.375 174.900 0.008 0.000 0.979 241 G CA -0.136 44.972 45.100 0.014 0.000 0.641 241 G HN 0.482 nan 8.290 nan 0.000 0.530 242 G N -0.625 108.175 108.800 -0.000 0.000 2.477 242 G HA2 0.579 4.539 3.960 0.001 0.000 0.304 242 G HA3 0.579 4.539 3.960 0.001 0.000 0.304 242 G C -0.346 174.550 174.900 -0.008 0.000 1.175 242 G CA -0.407 44.691 45.100 -0.003 0.000 0.907 242 G HN 0.317 nan 8.290 nan 0.000 0.509 243 E N -0.534 119.663 120.200 -0.004 0.000 2.175 243 E HA 0.264 4.615 4.350 0.001 0.000 0.278 243 E C -0.334 176.260 176.600 -0.010 0.000 0.969 243 E CA -0.623 55.774 56.400 -0.005 0.000 0.796 243 E CB 2.498 32.200 29.700 0.004 0.000 1.104 243 E HN 0.283 nan 8.360 nan 0.000 0.395 244 V N 4.369 124.271 119.914 -0.019 0.000 2.508 244 V HA 0.128 4.249 4.120 0.001 0.000 0.281 244 V C -0.284 175.807 176.094 -0.004 0.000 1.041 244 V CA -0.147 62.141 62.300 -0.020 0.000 1.016 244 V CB 1.245 33.044 31.823 -0.040 0.000 0.984 244 V HN 0.381 nan 8.190 nan 0.000 0.478 245 V N 7.040 126.955 119.914 0.002 0.000 2.481 245 V HA 0.370 4.491 4.120 0.001 0.000 0.286 245 V C 0.297 176.399 176.094 0.015 0.000 1.042 245 V CA -0.431 61.875 62.300 0.011 0.000 0.928 245 V CB 1.678 33.510 31.823 0.014 0.000 0.986 245 V HN 1.087 nan 8.190 nan 0.000 0.462 246 Q N 6.236 126.046 119.800 0.017 0.000 2.307 246 Q HA 0.342 4.683 4.340 0.001 0.000 0.261 246 Q C -0.312 175.701 176.000 0.023 0.000 1.051 246 Q CA 0.017 55.832 55.803 0.019 0.000 0.911 246 Q CB 0.435 29.184 28.738 0.019 0.000 1.227 246 Q HN 0.905 nan 8.270 nan 0.000 0.418 247 E N 1.983 122.199 120.200 0.027 0.000 2.447 247 E HA 0.430 4.781 4.350 0.001 0.000 0.279 247 E C -1.351 175.271 176.600 0.037 0.000 1.053 247 E CA -0.950 55.469 56.400 0.032 0.000 0.840 247 E CB 1.108 30.830 29.700 0.036 0.000 1.409 247 E HN 0.337 nan 8.360 nan 0.000 0.461 248 T N 0.854 115.433 114.554 0.041 0.000 2.875 248 T HA 0.559 4.910 4.350 0.001 0.000 0.284 248 T C -0.271 174.467 174.700 0.062 0.000 0.995 248 T CA -0.543 61.586 62.100 0.048 0.000 1.060 248 T CB 0.928 69.822 68.868 0.043 0.000 0.967 248 T HN 0.310 nan 8.240 nan 0.000 0.476 249 R N 0.358 120.903 120.500 0.074 0.000 2.888 249 R HA 0.726 5.067 4.340 0.001 0.000 0.264 249 R C -0.469 175.898 176.300 0.111 0.000 1.045 249 R CA -0.937 55.221 56.100 0.096 0.000 0.962 249 R CB 1.813 32.171 30.300 0.098 0.000 1.210 249 R HN 0.736 nan 8.270 nan 0.000 0.479 250 T N -1.356 113.280 114.554 0.137 0.000 2.942 250 T HA 0.588 4.939 4.350 0.001 0.000 0.289 250 T C -1.088 173.723 174.700 0.184 0.000 1.044 250 T CA -0.689 61.504 62.100 0.155 0.000 1.023 250 T CB 1.394 70.348 68.868 0.144 0.000 1.123 250 T HN 0.404 nan 8.240 nan 0.000 0.512 251 F N 1.432 121.383 119.950 0.002 0.000 2.518 251 F HA 0.542 5.070 4.527 0.001 0.000 0.323 251 F C -1.037 174.716 175.800 -0.078 0.000 1.129 251 F CA -1.048 56.913 58.000 -0.065 0.000 0.920 251 F CB 1.577 40.545 39.000 -0.054 0.000 1.160 251 F HN 0.654 nan 8.300 nan 0.000 0.440 252 D N 8.233 128.189 120.400 -0.740 0.000 2.359 252 D HA 0.390 5.031 4.640 0.001 0.000 0.230 252 D C -2.012 173.606 176.300 -1.137 0.000 1.118 252 D CA -2.344 51.270 54.000 -0.643 0.000 0.844 252 D CB 1.908 42.572 40.800 -0.226 0.000 1.059 252 D HN 0.222 nan 8.370 nan 0.000 0.493 253 P HA -0.190 nan 4.420 nan 0.000 0.215 253 P C 1.289 178.321 177.300 -0.446 0.000 1.153 253 P CA 1.027 63.624 63.100 -0.837 0.000 0.853 253 P CB 0.233 31.427 31.700 -0.843 0.000 0.788 254 Q N -1.262 118.347 119.800 -0.317 0.000 2.096 254 Q HA -0.150 4.191 4.340 0.001 0.000 0.204 254 Q C 2.184 178.088 176.000 -0.160 0.000 0.982 254 Q CA 2.025 57.726 55.803 -0.169 0.000 0.850 254 Q CB -1.495 27.170 28.738 -0.122 0.000 0.901 254 Q HN 0.258 nan 8.270 nan 0.000 0.422 255 T N -1.575 112.842 114.554 -0.228 0.000 3.057 255 T HA 0.192 4.543 4.350 0.001 0.000 0.254 255 T C 1.020 175.564 174.700 -0.260 0.000 1.094 255 T CA 1.058 63.045 62.100 -0.188 0.000 1.088 255 T CB -0.130 68.671 68.868 -0.111 0.000 0.934 255 T HN 0.537 nan 8.240 nan 0.000 0.497 256 G N 1.830 110.390 108.800 -0.400 0.000 2.198 256 G HA2 -0.220 3.741 3.960 0.001 0.000 0.260 256 G HA3 -0.220 3.741 3.960 0.001 0.000 0.260 256 G C -0.101 174.581 174.900 -0.364 0.000 1.025 256 G CA 0.498 45.442 45.100 -0.260 0.000 0.769 256 G HN 0.600 nan 8.290 nan 0.000 0.507 257 K N -0.182 119.807 120.400 -0.685 0.000 2.395 257 K HA 0.681 5.002 4.320 0.001 0.000 0.247 257 K C 0.182 176.296 176.600 -0.809 0.000 0.973 257 K CA -0.245 55.411 56.287 -1.051 0.000 0.828 257 K CB 1.726 33.560 32.500 -1.110 0.000 1.272 257 K HN 0.268 nan 8.250 nan 0.000 0.439 258 T N -1.073 113.148 114.554 -0.554 0.000 2.824 258 T HA 0.514 4.865 4.350 0.001 0.000 0.280 258 T C -0.771 173.677 174.700 -0.419 0.000 0.995 258 T CA -0.585 61.377 62.100 -0.229 0.000 1.009 258 T CB 0.301 69.262 68.868 0.155 0.000 0.955 258 T HN 0.397 nan 8.240 nan 0.000 0.452 259 Y N 2.337 122.687 120.300 0.084 0.000 2.425 259 Y HA 0.502 5.053 4.550 0.001 0.000 0.344 259 Y C -2.204 173.730 175.900 0.056 0.000 0.969 259 Y CA -2.715 55.417 58.100 0.054 0.000 1.052 259 Y CB 2.353 40.817 38.460 0.007 0.000 1.215 259 Y HN 0.527 nan 8.280 nan 0.000 0.451 260 P HA 0.124 nan 4.420 nan 0.000 0.273 260 P C -0.904 176.464 177.300 0.114 0.000 1.250 260 P CA -0.082 63.097 63.100 0.133 0.000 0.793 260 P CB 1.022 32.785 31.700 0.105 0.000 1.011 261 M N 0.568 120.215 119.600 0.078 0.000 2.363 261 M HA 0.373 4.854 4.480 0.001 0.000 0.343 261 M C 1.844 178.167 176.300 0.039 0.000 1.165 261 M CA -0.577 54.758 55.300 0.058 0.000 1.046 261 M CB 1.916 34.548 32.600 0.053 0.000 1.648 261 M HN 0.307 nan 8.290 nan 0.000 0.452 262 R N 0.174 120.689 120.500 0.025 0.000 2.148 262 R HA -0.012 4.329 4.340 0.001 0.000 0.227 262 R C 0.219 176.529 176.300 0.015 0.000 1.103 262 R CA 1.211 57.319 56.100 0.013 0.000 0.983 262 R CB -0.746 29.554 30.300 -0.000 0.000 0.874 262 R HN 0.728 nan 8.270 nan 0.000 0.451 263 T N -0.414 114.152 114.554 0.021 0.000 2.743 263 T HA 0.322 4.673 4.350 0.001 0.000 0.293 263 T C -0.195 174.519 174.700 0.023 0.000 0.945 263 T CA -0.986 61.127 62.100 0.021 0.000 1.030 263 T CB 1.754 70.637 68.868 0.026 0.000 0.912 263 T HN 0.148 nan 8.240 nan 0.000 0.483 264 K N 2.512 122.924 120.400 0.019 0.000 3.100 264 K HA 0.110 4.430 4.320 0.001 0.000 0.256 264 K C 0.191 176.800 176.600 0.016 0.000 1.146 264 K CA -0.037 56.261 56.287 0.018 0.000 1.233 264 K CB 0.050 32.559 32.500 0.015 0.000 1.226 264 K HN 0.673 nan 8.250 nan 0.000 0.442 265 E N 2.000 122.211 120.200 0.019 0.000 2.003 265 E HA 0.029 4.379 4.350 0.001 0.000 0.279 265 E C -0.457 176.149 176.600 0.009 0.000 1.132 265 E CA -0.068 56.343 56.400 0.018 0.000 0.888 265 E CB 0.587 30.303 29.700 0.028 0.000 1.056 265 E HN 0.274 nan 8.360 nan 0.000 0.399 266 E N 1.312 121.513 120.200 0.003 0.000 2.390 266 E HA 0.224 4.575 4.350 0.001 0.000 0.261 266 E C -0.172 176.411 176.600 -0.028 0.000 1.076 266 E CA -0.411 55.984 56.400 -0.009 0.000 0.905 266 E CB 0.986 30.681 29.700 -0.009 0.000 0.984 266 E HN 0.492 nan 8.360 nan 0.000 0.427 267 A N 2.958 125.748 122.820 -0.051 0.000 2.366 267 A HA 0.117 4.438 4.320 0.001 0.000 0.249 267 A C -0.139 177.357 177.584 -0.148 0.000 1.084 267 A CA -0.022 51.947 52.037 -0.112 0.000 0.794 267 A CB 0.384 19.303 19.000 -0.134 0.000 1.034 267 A HN 0.609 nan 8.150 nan 0.000 0.491 268 E N 0.554 120.616 120.200 -0.229 0.000 2.207 268 E HA 0.198 4.549 4.350 0.001 0.000 0.270 268 E C -1.041 175.332 176.600 -0.378 0.000 0.927 268 E CA -0.917 55.363 56.400 -0.199 0.000 0.799 268 E CB 1.352 31.004 29.700 -0.080 0.000 1.172 268 E HN 0.707 nan 8.360 nan 0.000 0.404 269 D N 1.289 121.554 120.400 -0.225 0.000 2.658 269 D HA -0.145 4.495 4.640 0.001 0.000 0.230 269 D C -0.034 176.133 176.300 -0.222 0.000 1.118 269 D CA 0.926 54.813 54.000 -0.188 0.000 0.848 269 D CB 0.484 41.249 40.800 -0.058 0.000 1.160 269 D HN 0.489 nan 8.370 nan 0.000 0.497 270 Y N 2.788 123.022 120.300 -0.111 0.000 2.544 270 Y HA 0.057 4.608 4.550 0.001 0.000 0.286 270 Y C 1.231 177.025 175.900 -0.177 0.000 1.141 270 Y CA 0.118 58.049 58.100 -0.281 0.000 1.299 270 Y CB 0.070 38.042 38.460 -0.813 0.000 1.030 270 Y HN 0.415 nan 8.280 nan 0.000 0.543 271 R N -1.030 119.514 120.500 0.072 0.000 3.333 271 R HA -0.250 4.091 4.340 0.001 0.000 0.256 271 R C -1.160 175.336 176.300 0.326 0.000 1.010 271 R CA 0.114 56.299 56.100 0.141 0.000 0.680 271 R CB -2.712 27.587 30.300 -0.001 0.000 1.102 271 R HN 0.203 nan 8.270 nan 0.000 0.440 272 Y N 1.081 121.501 120.300 0.199 0.000 2.717 272 Y HA 0.122 4.672 4.550 0.001 0.000 0.330 272 Y C 0.939 177.039 175.900 0.333 0.000 1.217 272 Y CA 0.948 59.112 58.100 0.107 0.000 1.506 272 Y CB 0.202 38.481 38.460 -0.302 0.000 1.268 272 Y HN 0.252 nan 8.280 nan 0.000 0.561 273 F N 1.956 122.011 119.950 0.175 0.000 2.719 273 F HA 0.642 5.170 4.527 0.002 0.000 0.309 273 F C -3.425 172.414 175.800 0.065 0.000 1.138 273 F CA -3.172 54.899 58.000 0.118 0.000 0.943 273 F CB 1.247 40.301 39.000 0.090 0.000 1.304 273 F HN 0.088 nan 8.300 nan 0.000 0.445 274 P HA 0.040 nan 4.420 nan 0.000 0.267 274 P C -0.721 176.286 177.300 -0.487 0.000 1.209 274 P CA 0.239 63.219 63.100 -0.200 0.000 0.763 274 P CB 0.499 32.175 31.700 -0.041 0.000 0.816 275 D N 5.401 125.539 120.400 -0.436 0.000 2.520 275 D HA -0.048 4.593 4.640 0.001 0.000 0.243 275 D C -1.221 174.918 176.300 -0.268 0.000 1.160 275 D CA -1.018 52.699 54.000 -0.471 0.000 0.877 275 D CB 0.643 41.261 40.800 -0.304 0.000 1.150 275 D HN 0.267 nan 8.370 nan 0.000 0.494 276 P HA 0.041 nan 4.420 nan 0.000 0.249 276 P C 0.222 177.492 177.300 -0.049 0.000 1.229 276 P CA 0.147 63.205 63.100 -0.070 0.000 0.788 276 P CB 0.513 32.226 31.700 0.021 0.000 1.072 277 D N -0.064 120.285 120.400 -0.084 0.000 2.349 277 D HA 0.122 4.763 4.640 0.001 0.000 0.224 277 D C 0.592 176.860 176.300 -0.053 0.000 1.029 277 D CA 0.638 54.602 54.000 -0.061 0.000 0.879 277 D CB 0.447 41.199 40.800 -0.079 0.000 0.906 277 D HN 0.289 nan 8.370 nan 0.000 0.528 278 L N 0.415 121.612 121.223 -0.043 0.000 2.431 278 L HA 0.298 4.638 4.340 0.001 0.000 0.266 278 L C 0.038 176.941 176.870 0.055 0.000 0.978 278 L CA -1.207 53.639 54.840 0.011 0.000 0.822 278 L CB 2.463 44.529 42.059 0.013 0.000 1.310 278 L HN -0.272 nan 8.230 nan 0.000 0.409 279 V N -0.088 119.872 119.914 0.076 0.000 3.133 279 V HA 0.507 4.627 4.120 0.001 0.000 0.305 279 V C -2.166 174.001 176.094 0.121 0.000 1.084 279 V CA -1.623 60.726 62.300 0.081 0.000 1.089 279 V CB -0.263 31.601 31.823 0.068 0.000 1.073 279 V HN 0.580 nan 8.190 nan 0.000 0.477 280 P HA 0.177 nan 4.420 nan 0.000 0.266 280 P C -0.592 176.768 177.300 0.099 0.000 1.195 280 P CA -0.210 62.932 63.100 0.070 0.000 0.768 280 P CB 0.201 31.922 31.700 0.037 0.000 0.838 281 L N 3.992 125.260 121.223 0.076 0.000 2.407 281 L HA 0.141 4.482 4.340 0.001 0.000 0.282 281 L C 0.075 176.996 176.870 0.084 0.000 1.110 281 L CA 0.525 55.432 54.840 0.111 0.000 0.863 281 L CB -0.645 41.445 42.059 0.052 0.000 1.207 281 L HN 0.191 nan 8.230 nan 0.000 0.454 282 K N 4.202 124.670 120.400 0.115 0.000 2.263 282 K HA 0.500 4.821 4.320 0.001 0.000 0.272 282 K C -1.190 175.505 176.600 0.159 0.000 1.033 282 K CA -0.593 55.758 56.287 0.107 0.000 0.884 282 K CB 1.557 34.108 32.500 0.085 0.000 1.107 282 K HN 0.381 nan 8.250 nan 0.000 0.460 283 V N 5.196 125.203 119.914 0.154 0.000 2.313 283 V HA 0.161 4.282 4.120 0.001 0.000 0.278 283 V C 0.035 176.243 176.094 0.190 0.000 1.017 283 V CA -1.039 61.395 62.300 0.222 0.000 0.823 283 V CB 0.960 32.857 31.823 0.123 0.000 1.010 283 V HN 0.600 nan 8.190 nan 0.000 0.443 284 K N 3.083 123.626 120.400 0.239 0.000 2.489 284 K HA 0.015 4.336 4.320 0.001 0.000 0.278 284 K C 1.289 177.989 176.600 0.167 0.000 1.000 284 K CA 0.158 56.548 56.287 0.172 0.000 1.012 284 K CB 0.875 33.467 32.500 0.154 0.000 0.903 284 K HN 0.625 nan 8.250 nan 0.000 0.485 285 K N 2.650 123.112 120.400 0.103 0.000 2.074 285 K HA -0.232 4.088 4.320 0.001 0.000 0.209 285 K C 1.006 177.665 176.600 0.098 0.000 1.048 285 K CA 1.929 58.262 56.287 0.077 0.000 0.926 285 K CB 0.161 32.691 32.500 0.049 0.000 0.713 285 K HN 0.421 nan 8.250 nan 0.000 0.444 286 E N -0.502 119.766 120.200 0.113 0.000 2.160 286 E HA -0.202 4.148 4.350 0.001 0.000 0.195 286 E C 1.355 178.077 176.600 0.202 0.000 0.991 286 E CA 1.226 57.697 56.400 0.119 0.000 0.810 286 E CB -0.251 29.500 29.700 0.086 0.000 0.742 286 E HN 0.480 nan 8.360 nan 0.000 0.466 287 W N 0.638 121.944 121.300 0.009 0.000 2.453 287 W HA 0.108 4.769 4.660 0.001 0.000 0.289 287 W C 1.643 178.168 176.519 0.009 0.000 1.215 287 W CA 0.500 57.852 57.345 0.012 0.000 1.297 287 W CB -0.434 29.036 29.460 0.017 0.000 1.113 287 W HN 0.001 nan 8.180 nan 0.000 0.551 288 I N 0.592 121.213 120.570 0.085 0.000 2.127 288 I HA -0.351 3.820 4.170 0.001 0.000 0.241 288 I C 2.287 178.395 176.117 -0.016 0.000 1.075 288 I CA 1.978 63.243 61.300 -0.057 0.000 1.334 288 I CB -0.717 37.252 38.000 -0.050 0.000 1.040 288 I HN -0.069 nan 8.210 nan 0.000 0.405 289 E N 0.392 120.613 120.200 0.034 0.000 2.086 289 E HA -0.328 4.022 4.350 0.001 0.000 0.200 289 E C 2.116 178.745 176.600 0.049 0.000 1.012 289 E CA 1.858 58.280 56.400 0.036 0.000 0.812 289 E CB -0.150 29.580 29.700 0.050 0.000 0.743 289 E HN 0.483 nan 8.360 nan 0.000 0.453 290 E N 0.330 120.589 120.200 0.098 0.000 2.106 290 E HA -0.167 4.184 4.350 0.001 0.000 0.192 290 E C 1.988 178.640 176.600 0.086 0.000 0.984 290 E CA 0.739 57.209 56.400 0.118 0.000 0.806 290 E CB 0.048 29.875 29.700 0.212 0.000 0.750 290 E HN 0.246 nan 8.360 nan 0.000 0.458 291 I N 0.662 121.256 120.570 0.040 0.000 2.406 291 I HA -0.188 3.982 4.170 0.001 0.000 0.249 291 I C 2.589 178.686 176.117 -0.032 0.000 1.122 291 I CA 0.759 62.046 61.300 -0.023 0.000 1.431 291 I CB -0.135 37.774 38.000 -0.151 0.000 1.087 291 I HN 0.046 nan 8.210 nan 0.000 0.424 292 K N 1.497 121.875 120.400 -0.037 0.000 2.009 292 K HA -0.274 4.047 4.320 0.001 0.000 0.210 292 K C 2.254 178.846 176.600 -0.013 0.000 1.049 292 K CA 1.767 58.033 56.287 -0.035 0.000 0.929 292 K CB -0.075 32.405 32.500 -0.033 0.000 0.714 292 K HN 0.099 nan 8.250 nan 0.000 0.440 293 K N 0.113 120.516 120.400 0.005 0.000 2.097 293 K HA -0.111 4.210 4.320 0.001 0.000 0.206 293 K C 0.759 177.369 176.600 0.016 0.000 1.049 293 K CA 1.530 57.825 56.287 0.014 0.000 0.933 293 K CB 0.060 32.575 32.500 0.024 0.000 0.717 293 K HN 0.149 nan 8.250 nan 0.000 0.442 294 N N 0.920 119.633 118.700 0.020 0.000 2.276 294 N HA 0.004 4.744 4.740 0.001 0.000 0.212 294 N C -0.227 175.289 175.510 0.011 0.000 1.127 294 N CA -0.063 53.001 53.050 0.023 0.000 0.834 294 N CB 0.183 38.695 38.487 0.041 0.000 1.014 294 N HN 0.194 nan 8.380 nan 0.000 0.491 295 M N 2.144 121.742 119.600 -0.003 0.000 2.284 295 M HA 0.127 4.607 4.480 0.001 0.000 0.351 295 M C -2.177 174.122 176.300 -0.001 0.000 1.443 295 M CA -1.170 54.121 55.300 -0.016 0.000 1.031 295 M CB 0.202 32.785 32.600 -0.029 0.000 1.893 295 M HN -0.091 nan 8.290 nan 0.000 0.456 296 P HA -0.009 nan 4.420 nan 0.000 0.270 296 P C -1.033 176.295 177.300 0.047 0.000 1.227 296 P CA -0.176 62.936 63.100 0.019 0.000 0.788 296 P CB 0.329 32.033 31.700 0.007 0.000 0.926 297 E N 0.966 121.217 120.200 0.085 0.000 2.373 297 E HA 0.173 4.524 4.350 0.001 0.000 0.267 297 E C -0.650 176.057 176.600 0.179 0.000 1.032 297 E CA -0.248 56.218 56.400 0.111 0.000 0.889 297 E CB 0.294 30.070 29.700 0.127 0.000 0.984 297 E HN 0.293 nan 8.360 nan 0.000 0.425 298 L N 5.004 126.257 121.223 0.050 0.000 2.334 298 L HA 0.296 4.636 4.340 0.001 0.000 0.270 298 L C -1.739 174.955 176.870 -0.295 0.000 1.018 298 L CA -2.169 52.617 54.840 -0.091 0.000 0.811 298 L CB 1.232 43.232 42.059 -0.098 0.000 1.271 298 L HN 0.457 nan 8.230 nan 0.000 0.443 299 P HA -0.123 nan 4.420 nan 0.000 0.215 299 P C 0.482 177.633 177.300 -0.248 0.000 1.153 299 P CA 1.099 63.787 63.100 -0.687 0.000 0.853 299 P CB 0.257 31.519 31.700 -0.731 0.000 0.788 300 D N -0.947 119.344 120.400 -0.183 0.000 2.144 300 D HA -0.147 4.494 4.640 0.001 0.000 0.200 300 D C 2.112 178.433 176.300 0.036 0.000 0.978 300 D CA 1.067 55.021 54.000 -0.077 0.000 0.833 300 D CB -0.559 40.194 40.800 -0.079 0.000 0.961 300 D HN 0.312 nan 8.370 nan 0.000 0.470 301 Q N 0.154 119.958 119.800 0.007 0.000 2.020 301 Q HA -0.099 4.242 4.340 0.001 0.000 0.202 301 Q C 2.289 178.339 176.000 0.084 0.000 0.982 301 Q CA 0.862 56.692 55.803 0.045 0.000 0.838 301 Q CB -0.115 28.639 28.738 0.026 0.000 0.899 301 Q HN 0.168 nan 8.270 nan 0.000 0.423 302 R N 0.198 120.747 120.500 0.081 0.000 2.103 302 R HA -0.198 4.143 4.340 0.001 0.000 0.242 302 R C 2.165 178.552 176.300 0.144 0.000 1.142 302 R CA 1.433 57.611 56.100 0.129 0.000 0.960 302 R CB -0.356 30.050 30.300 0.175 0.000 0.858 302 R HN 0.226 nan 8.270 nan 0.000 0.439 303 F N 2.080 122.021 119.950 -0.015 0.000 2.065 303 F HA -0.255 4.273 4.527 0.001 0.000 0.298 303 F C 2.239 178.043 175.800 0.007 0.000 1.112 303 F CA 1.897 59.887 58.000 -0.018 0.000 1.212 303 F CB -0.065 38.908 39.000 -0.044 0.000 0.975 303 F HN 0.054 nan 8.300 nan 0.000 0.476 304 E N -0.097 120.187 120.200 0.140 0.000 2.152 304 E HA -0.189 4.162 4.350 0.001 0.000 0.192 304 E C 2.320 178.923 176.600 0.005 0.000 0.983 304 E CA 0.801 57.226 56.400 0.041 0.000 0.818 304 E CB -0.563 29.195 29.700 0.096 0.000 0.758 304 E HN 0.481 nan 8.360 nan 0.000 0.467 305 R N 0.956 121.484 120.500 0.046 0.000 2.075 305 R HA -0.053 4.288 4.340 0.001 0.000 0.232 305 R C 2.503 178.861 176.300 0.098 0.000 1.126 305 R CA 0.804 56.941 56.100 0.063 0.000 0.963 305 R CB -0.149 30.206 30.300 0.093 0.000 0.858 305 R HN 0.122 nan 8.270 nan 0.000 0.435 306 L N 0.457 121.748 121.223 0.113 0.000 2.027 306 L HA -0.173 4.167 4.340 0.001 0.000 0.206 306 L C 2.516 179.448 176.870 0.102 0.000 1.074 306 L CA 1.211 56.179 54.840 0.214 0.000 0.745 306 L CB -0.491 41.576 42.059 0.013 0.000 0.898 306 L HN 0.258 nan 8.230 nan 0.000 0.433 307 I N -0.103 120.411 120.570 -0.092 0.000 2.194 307 I HA -0.349 3.822 4.170 0.001 0.000 0.246 307 I C 2.621 178.719 176.117 -0.032 0.000 1.093 307 I CA 1.582 62.812 61.300 -0.118 0.000 1.355 307 I CB -0.261 37.604 38.000 -0.224 0.000 1.046 307 I HN 0.294 nan 8.210 nan 0.000 0.413 308 K N 0.402 120.792 120.400 -0.016 0.000 2.017 308 K HA -0.119 4.202 4.320 0.001 0.000 0.207 308 K C 2.050 178.624 176.600 -0.043 0.000 1.035 308 K CA 0.861 57.136 56.287 -0.021 0.000 0.947 308 K CB -0.214 32.273 32.500 -0.022 0.000 0.749 308 K HN 0.135 nan 8.250 nan 0.000 0.443 309 E N -0.516 119.636 120.200 -0.080 0.000 2.273 309 E HA -0.200 4.150 4.350 0.001 0.000 0.198 309 E C 0.550 176.856 176.600 -0.489 0.000 1.002 309 E CA 1.420 57.633 56.400 -0.312 0.000 0.828 309 E CB 0.193 29.638 29.700 -0.426 0.000 0.747 309 E HN 0.357 nan 8.360 nan 0.000 0.491 310 Y N -2.556 117.766 120.300 0.036 0.000 2.540 310 Y HA 0.278 4.829 4.550 0.001 0.000 0.257 310 Y C 1.124 177.044 175.900 0.034 0.000 1.090 310 Y CA 0.072 58.215 58.100 0.073 0.000 1.242 310 Y CB 1.326 39.901 38.460 0.191 0.000 1.325 310 Y HN 0.034 nan 8.280 nan 0.000 0.544 311 G N 1.722 110.590 108.800 0.114 0.000 2.225 311 G HA2 -0.300 3.661 3.960 0.001 0.000 0.267 311 G HA3 -0.300 3.661 3.960 0.001 0.000 0.267 311 G C 0.102 175.021 174.900 0.032 0.000 1.024 311 G CA 0.307 45.437 45.100 0.050 0.000 0.784 311 G HN 0.279 nan 8.290 nan 0.000 0.507 312 L N 0.780 122.012 121.223 0.014 0.000 2.473 312 L HA 0.420 4.761 4.340 0.001 0.000 0.268 312 L C 1.567 178.388 176.870 -0.081 0.000 1.215 312 L CA 0.088 54.892 54.840 -0.060 0.000 0.823 312 L CB 0.535 42.494 42.059 -0.167 0.000 1.099 312 L HN 0.466 nan 8.230 nan 0.000 0.483 313 S N 0.080 115.747 115.700 -0.055 0.000 2.614 313 S HA 0.094 4.565 4.470 0.001 0.000 0.265 313 S C 0.712 175.271 174.600 -0.069 0.000 1.303 313 S CA -0.660 57.526 58.200 -0.024 0.000 1.000 313 S CB 1.111 64.344 63.200 0.055 0.000 0.935 313 S HN 0.666 nan 8.310 nan 0.000 0.551 314 E N -0.194 119.997 120.200 -0.016 0.000 2.265 314 E HA -0.146 4.204 4.350 0.001 0.000 0.196 314 E C 1.370 178.069 176.600 0.165 0.000 0.996 314 E CA 1.158 57.579 56.400 0.035 0.000 0.832 314 E CB -0.256 29.560 29.700 0.193 0.000 0.756 314 E HN 0.843 nan 8.360 nan 0.000 0.491 315 Y N 1.401 121.716 120.300 0.026 0.000 2.220 315 Y HA -0.136 4.415 4.550 0.001 0.000 0.291 315 Y C 1.876 177.775 175.900 -0.001 0.000 1.129 315 Y CA 1.415 59.532 58.100 0.028 0.000 1.161 315 Y CB 0.249 38.711 38.460 0.004 0.000 0.997 315 Y HN -0.062 nan 8.280 nan 0.000 0.522 316 E N 0.410 120.485 120.200 -0.210 0.000 2.028 316 E HA -0.137 4.214 4.350 0.001 0.000 0.190 316 E C 2.392 178.803 176.600 -0.315 0.000 0.984 316 E CA 0.956 57.152 56.400 -0.341 0.000 0.800 316 E CB -0.342 29.238 29.700 -0.201 0.000 0.758 316 E HN 0.550 nan 8.360 nan 0.000 0.448 317 A N 1.226 123.880 122.820 -0.276 0.000 1.940 317 A HA -0.135 4.186 4.320 0.001 0.000 0.219 317 A C 2.398 179.968 177.584 -0.023 0.000 1.176 317 A CA 1.796 53.662 52.037 -0.284 0.000 0.631 317 A CB -1.281 17.382 19.000 -0.561 0.000 0.814 317 A HN 0.369 nan 8.150 nan 0.000 0.446 318 G N 0.155 109.065 108.800 0.183 0.000 2.446 318 G HA2 -0.245 3.716 3.960 0.001 0.000 0.217 318 G HA3 -0.245 3.716 3.960 0.001 0.000 0.217 318 G C 1.536 176.463 174.900 0.045 0.000 1.168 318 G CA 1.172 46.446 45.100 0.290 0.000 0.771 318 G HN 0.485 nan 8.290 nan 0.000 0.551 319 I N 0.420 120.920 120.570 -0.116 0.000 2.163 319 I HA -0.171 4.000 4.170 0.001 0.000 0.243 319 I C 2.698 178.777 176.117 -0.063 0.000 1.085 319 I CA 0.890 62.107 61.300 -0.138 0.000 1.347 319 I CB -0.196 37.626 38.000 -0.297 0.000 1.044 319 I HN 0.134 nan 8.210 nan 0.000 0.408 320 L N -0.270 120.891 121.223 -0.103 0.000 2.201 320 L HA -0.143 4.197 4.340 0.001 0.000 0.212 320 L C 2.343 179.244 176.870 0.052 0.000 1.105 320 L CA 0.849 55.642 54.840 -0.078 0.000 0.775 320 L CB -0.344 41.591 42.059 -0.206 0.000 0.913 320 L HN 0.149 nan 8.230 nan 0.000 0.440 321 V N -0.787 119.191 119.914 0.106 0.000 2.685 321 V HA -0.073 4.048 4.120 0.001 0.000 0.244 321 V C 1.997 178.209 176.094 0.195 0.000 1.054 321 V CA 0.888 63.308 62.300 0.200 0.000 1.076 321 V CB -0.366 31.577 31.823 0.200 0.000 0.725 321 V HN 0.410 nan 8.190 nan 0.000 0.467 322 N N -0.190 118.580 118.700 0.117 0.000 2.289 322 N HA -0.109 4.632 4.740 0.001 0.000 0.184 322 N C 0.816 176.423 175.510 0.161 0.000 1.016 322 N CA 0.989 54.094 53.050 0.091 0.000 0.872 322 N CB -0.218 38.288 38.487 0.033 0.000 0.973 322 N HN 0.448 nan 8.380 nan 0.000 0.433 323 H N 0.870 119.975 119.070 0.059 0.000 2.786 323 H HA 0.224 4.781 4.556 0.001 0.000 0.284 323 H C 0.773 176.134 175.328 0.054 0.000 1.104 323 H CA -0.484 55.590 56.048 0.043 0.000 1.339 323 H CB 0.504 30.267 29.762 0.002 0.000 1.427 323 H HN -0.065 nan 8.280 nan 0.000 0.497 324 K N 2.848 123.415 120.400 0.278 0.000 2.074 324 K HA -0.187 4.133 4.320 0.001 0.000 0.209 324 K C 0.787 177.370 176.600 -0.029 0.000 1.048 324 K CA 1.914 58.231 56.287 0.051 0.000 0.926 324 K CB 0.403 32.702 32.500 -0.335 0.000 0.713 324 K HN 0.433 nan 8.250 nan 0.000 0.444 325 E N 0.108 120.289 120.200 -0.031 0.000 2.265 325 E HA -0.120 4.231 4.350 0.001 0.000 0.196 325 E C 1.770 178.287 176.600 -0.138 0.000 0.996 325 E CA 0.841 57.186 56.400 -0.092 0.000 0.832 325 E CB 0.089 29.752 29.700 -0.061 0.000 0.756 325 E HN 0.114 nan 8.360 nan 0.000 0.491 326 V N 0.078 119.817 119.914 -0.291 0.000 2.323 326 V HA -0.124 3.997 4.120 0.001 0.000 0.244 326 V C 2.263 178.366 176.094 0.014 0.000 1.041 326 V CA 1.895 64.075 62.300 -0.200 0.000 1.025 326 V CB -0.992 30.662 31.823 -0.282 0.000 0.656 326 V HN 0.425 nan 8.190 nan 0.000 0.451 327 G N -0.102 108.708 108.800 0.016 0.000 2.440 327 G HA2 -0.250 3.710 3.960 0.001 0.000 0.218 327 G HA3 -0.250 3.710 3.960 0.001 0.000 0.218 327 G C 1.236 176.224 174.900 0.147 0.000 1.154 327 G CA 1.063 46.211 45.100 0.081 0.000 0.767 327 G HN 0.499 nan 8.290 nan 0.000 0.552 328 D N 0.040 120.493 120.400 0.088 0.000 2.117 328 D HA -0.113 4.528 4.640 0.001 0.000 0.197 328 D C 1.990 178.351 176.300 0.101 0.000 0.987 328 D CA 0.574 54.615 54.000 0.067 0.000 0.829 328 D CB -0.398 40.410 40.800 0.015 0.000 0.961 328 D HN 0.345 nan 8.370 nan 0.000 0.460 329 F N 0.750 120.693 119.950 -0.012 0.000 2.069 329 F HA -0.249 4.278 4.527 0.001 0.000 0.298 329 F C 2.254 178.066 175.800 0.020 0.000 1.113 329 F CA 1.266 59.260 58.000 -0.010 0.000 1.214 329 F CB -0.360 38.625 39.000 -0.025 0.000 0.978 329 F HN -0.117 nan 8.300 nan 0.000 0.474 330 F N 1.533 121.629 119.950 0.244 0.000 2.063 330 F HA -0.273 4.254 4.527 0.001 0.000 0.298 330 F C 2.305 178.082 175.800 -0.038 0.000 1.109 330 F CA 2.435 60.490 58.000 0.092 0.000 1.212 330 F CB -0.746 38.233 39.000 -0.034 0.000 0.973 330 F HN 0.087 nan 8.300 nan 0.000 0.480 331 E N -0.391 119.740 120.200 -0.115 0.000 2.150 331 E HA -0.232 4.119 4.350 0.001 0.000 0.193 331 E C 2.118 178.615 176.600 -0.171 0.000 0.985 331 E CA 1.113 57.378 56.400 -0.225 0.000 0.814 331 E CB -0.322 29.387 29.700 0.016 0.000 0.752 331 E HN 0.621 nan 8.360 nan 0.000 0.466 332 E N 0.412 120.532 120.200 -0.133 0.000 2.208 332 E HA -0.115 4.236 4.350 0.001 0.000 0.193 332 E C 1.874 178.435 176.600 -0.065 0.000 0.988 332 E CA 0.647 56.982 56.400 -0.108 0.000 0.828 332 E CB 0.107 29.720 29.700 -0.144 0.000 0.763 332 E HN 0.188 nan 8.360 nan 0.000 0.478 333 A N 0.541 123.252 122.820 -0.183 0.000 1.874 333 A HA -0.068 4.253 4.320 0.001 0.000 0.214 333 A C 2.264 179.795 177.584 -0.088 0.000 1.189 333 A CA 0.831 52.796 52.037 -0.120 0.000 0.615 333 A CB -0.713 18.212 19.000 -0.125 0.000 0.830 333 A HN 0.231 nan 8.150 nan 0.000 0.443 334 V N -0.076 119.654 119.914 -0.306 0.000 2.828 334 V HA -0.223 3.898 4.120 0.001 0.000 0.260 334 V C 2.477 178.509 176.094 -0.104 0.000 1.101 334 V CA 2.400 64.533 62.300 -0.279 0.000 1.123 334 V CB -0.790 30.726 31.823 -0.512 0.000 0.704 334 V HN 0.616 nan 8.190 nan 0.000 0.493 335 R N -1.214 119.236 120.500 -0.084 0.000 2.075 335 R HA -0.060 4.281 4.340 0.001 0.000 0.226 335 R C 2.173 178.405 176.300 -0.113 0.000 1.114 335 R CA 1.530 57.569 56.100 -0.102 0.000 0.972 335 R CB -0.253 29.954 30.300 -0.154 0.000 0.869 335 R HN 0.681 nan 8.270 nan 0.000 0.437 336 H N -2.297 116.759 119.070 -0.023 0.000 2.462 336 H HA 0.026 4.583 4.556 0.001 0.000 0.292 336 H C -0.557 174.858 175.328 0.144 0.000 1.049 336 H CA 1.202 57.267 56.048 0.028 0.000 1.334 336 H CB 0.261 30.023 29.762 -0.000 0.000 1.404 336 H HN 0.018 nan 8.280 nan 0.000 0.544 337 F N 0.344 120.324 119.950 0.050 0.000 2.787 337 F HA 0.252 4.780 4.527 0.001 0.000 0.340 337 F C -0.587 175.216 175.800 0.006 0.000 1.232 337 F CA -1.526 56.487 58.000 0.021 0.000 1.051 337 F CB 1.038 40.050 39.000 0.021 0.000 1.330 337 F HN -0.330 nan 8.300 nan 0.000 0.522 338 K N 3.689 123.930 120.400 -0.266 0.000 3.233 338 K HA 0.054 4.375 4.320 0.001 0.000 0.283 338 K C -0.255 176.079 176.600 -0.444 0.000 1.209 338 K CA 0.245 56.368 56.287 -0.273 0.000 1.197 338 K CB -0.190 32.232 32.500 -0.130 0.000 1.431 338 K HN 0.470 nan 8.250 nan 0.000 0.326 339 E N 1.348 121.153 120.200 -0.658 0.000 2.546 339 E HA 0.154 4.505 4.350 0.001 0.000 0.227 339 E C -2.112 174.403 176.600 -0.143 0.000 1.009 339 E CA -2.671 53.443 56.400 -0.477 0.000 0.813 339 E CB 0.979 30.211 29.700 -0.780 0.000 1.269 339 E HN 0.138 nan 8.360 nan 0.000 0.432 340 P HA -0.175 nan 4.420 nan 0.000 0.215 340 P C 1.200 178.650 177.300 0.250 0.000 1.157 340 P CA 0.979 64.200 63.100 0.202 0.000 0.859 340 P CB 0.357 32.270 31.700 0.356 0.000 0.786 341 K N 0.127 120.621 120.400 0.158 0.000 2.063 341 K HA -0.108 4.212 4.320 0.001 0.000 0.208 341 K C 2.311 179.009 176.600 0.162 0.000 1.048 341 K CA 1.983 58.352 56.287 0.136 0.000 0.928 341 K CB -1.015 31.539 32.500 0.091 0.000 0.713 341 K HN 0.099 nan 8.250 nan 0.000 0.442 342 G N 1.178 110.081 108.800 0.173 0.000 2.408 342 G HA2 -0.197 3.764 3.960 0.001 0.000 0.217 342 G HA3 -0.197 3.764 3.960 0.001 0.000 0.217 342 G C 1.558 176.678 174.900 0.366 0.000 1.150 342 G CA 0.626 45.889 45.100 0.271 0.000 0.776 342 G HN 0.251 nan 8.290 nan 0.000 0.542 343 I N 1.066 121.813 120.570 0.295 0.000 2.252 343 I HA -0.151 4.019 4.170 0.001 0.000 0.245 343 I C 2.922 179.272 176.117 0.388 0.000 1.102 343 I CA 0.965 62.466 61.300 0.334 0.000 1.385 343 I CB -0.169 37.952 38.000 0.201 0.000 1.064 343 I HN 0.153 nan 8.210 nan 0.000 0.414 344 V N -0.575 119.564 119.914 0.375 0.000 2.332 344 V HA -0.245 3.876 4.120 0.001 0.000 0.248 344 V C 2.134 178.298 176.094 0.116 0.000 1.055 344 V CA 1.972 64.381 62.300 0.182 0.000 1.038 344 V CB -1.249 30.560 31.823 -0.024 0.000 0.651 344 V HN 0.364 nan 8.190 nan 0.000 0.450 345 N N 0.311 119.083 118.700 0.120 0.000 2.018 345 N HA -0.189 4.552 4.740 0.001 0.000 0.196 345 N C 1.401 176.900 175.510 -0.019 0.000 1.043 345 N CA 2.408 55.465 53.050 0.011 0.000 0.856 345 N CB -0.733 37.732 38.487 -0.038 0.000 1.042 345 N HN 0.718 nan 8.380 nan 0.000 0.423 346 W N 0.603 121.952 121.300 0.082 0.000 2.425 346 W HA 0.056 4.717 4.660 0.001 0.000 0.277 346 W C 2.063 178.616 176.519 0.057 0.000 1.231 346 W CA -0.055 57.334 57.345 0.074 0.000 1.248 346 W CB -0.452 29.065 29.460 0.094 0.000 1.117 346 W HN 0.093 nan 8.180 nan 0.000 0.568 347 L N 0.178 121.558 121.223 0.261 0.000 1.988 347 L HA -0.099 4.242 4.340 0.001 0.000 0.207 347 L C 1.995 178.882 176.870 0.029 0.000 1.071 347 L CA 1.964 56.880 54.840 0.127 0.000 0.744 347 L CB -1.012 41.137 42.059 0.150 0.000 0.893 347 L HN -0.037 nan 8.230 nan 0.000 0.433 348 I N -0.257 120.321 120.570 0.013 0.000 2.233 348 I HA -0.229 3.942 4.170 0.001 0.000 0.243 348 I C 1.823 177.934 176.117 -0.011 0.000 1.093 348 I CA 1.089 62.375 61.300 -0.024 0.000 1.380 348 I CB -0.376 37.601 38.000 -0.038 0.000 1.067 348 I HN 0.335 nan 8.210 nan 0.000 0.413 349 N N 0.039 118.722 118.700 -0.027 0.000 2.416 349 N HA -0.078 4.663 4.740 0.001 0.000 0.177 349 N C 1.016 176.493 175.510 -0.056 0.000 1.036 349 N CA 0.993 54.005 53.050 -0.062 0.000 0.901 349 N CB 0.036 38.436 38.487 -0.146 0.000 0.976 349 N HN 0.426 nan 8.380 nan 0.000 0.444 350 D N -0.739 119.657 120.400 -0.006 0.000 3.239 350 D HA 0.019 4.660 4.640 0.001 0.000 0.265 350 D C 1.746 178.091 176.300 0.075 0.000 1.442 350 D CA -0.192 53.844 54.000 0.060 0.000 1.178 350 D CB -0.075 40.840 40.800 0.193 0.000 1.198 350 D HN -0.057 nan 8.370 nan 0.000 0.366 351 L N 1.711 122.988 121.223 0.089 0.000 1.994 351 L HA -0.105 4.236 4.340 0.001 0.000 0.208 351 L C 2.214 179.065 176.870 -0.032 0.000 1.071 351 L CA 1.432 56.290 54.840 0.030 0.000 0.745 351 L CB -0.770 41.285 42.059 -0.007 0.000 0.892 351 L HN -0.040 nan 8.230 nan 0.000 0.431 352 L N 0.179 121.367 121.223 -0.058 0.000 2.021 352 L HA -0.178 4.163 4.340 0.001 0.000 0.215 352 L C 2.553 179.407 176.870 -0.026 0.000 1.074 352 L CA 2.228 57.029 54.840 -0.066 0.000 0.760 352 L CB -1.853 40.168 42.059 -0.063 0.000 0.889 352 L HN 0.432 nan 8.230 nan 0.000 0.433 353 G N -1.577 107.218 108.800 -0.008 0.000 2.408 353 G HA2 -0.188 3.773 3.960 0.001 0.000 0.217 353 G HA3 -0.188 3.773 3.960 0.001 0.000 0.217 353 G C 1.718 176.623 174.900 0.007 0.000 1.150 353 G CA 0.615 45.717 45.100 0.003 0.000 0.776 353 G HN 0.345 nan 8.290 nan 0.000 0.542 354 L N -0.187 121.043 121.223 0.012 0.000 2.093 354 L HA 0.062 4.402 4.340 0.001 0.000 0.208 354 L C 2.840 179.716 176.870 0.010 0.000 1.085 354 L CA 0.492 55.343 54.840 0.018 0.000 0.755 354 L CB -0.231 41.848 42.059 0.034 0.000 0.904 354 L HN 0.202 nan 8.230 nan 0.000 0.435 355 L N -1.081 120.139 121.223 -0.004 0.000 2.109 355 L HA -0.157 4.184 4.340 0.001 0.000 0.207 355 L C 2.774 179.643 176.870 -0.001 0.000 1.086 355 L CA 0.963 55.798 54.840 -0.009 0.000 0.760 355 L CB -0.530 41.507 42.059 -0.036 0.000 0.910 355 L HN 0.175 nan 8.230 nan 0.000 0.437 356 R N 0.274 120.774 120.500 -0.001 0.000 2.096 356 R HA -0.188 4.153 4.340 0.001 0.000 0.240 356 R C 1.933 178.238 176.300 0.007 0.000 1.139 356 R CA 1.887 57.990 56.100 0.005 0.000 0.952 356 R CB -0.489 29.814 30.300 0.006 0.000 0.854 356 R HN 0.378 nan 8.270 nan 0.000 0.436 357 D N 0.399 120.804 120.400 0.009 0.000 2.117 357 D HA -0.131 4.510 4.640 0.001 0.000 0.197 357 D C 1.562 177.868 176.300 0.011 0.000 0.987 357 D CA 1.271 55.278 54.000 0.010 0.000 0.829 357 D CB -0.089 40.718 40.800 0.013 0.000 0.961 357 D HN 0.180 nan 8.370 nan 0.000 0.460 358 K N -0.320 120.087 120.400 0.012 0.000 2.486 358 K HA 0.102 4.422 4.320 0.001 0.000 0.194 358 K C 1.002 177.609 176.600 0.012 0.000 1.033 358 K CA 0.596 56.891 56.287 0.013 0.000 1.004 358 K CB 0.396 32.905 32.500 0.015 0.000 0.798 358 K HN 0.181 nan 8.250 nan 0.000 0.495 359 G N 2.795 111.601 108.800 0.010 0.000 2.198 359 G HA2 -0.263 3.698 3.960 0.001 0.000 0.257 359 G HA3 -0.263 3.698 3.960 0.001 0.000 0.257 359 G C -0.079 174.828 174.900 0.011 0.000 1.042 359 G CA 0.311 45.417 45.100 0.009 0.000 0.791 359 G HN 0.451 nan 8.290 nan 0.000 0.502 360 I N 0.785 121.361 120.570 0.011 0.000 2.404 360 I HA 0.701 4.872 4.170 0.001 0.000 0.293 360 I C 0.632 176.757 176.117 0.014 0.000 0.992 360 I CA -0.381 60.927 61.300 0.013 0.000 1.149 360 I CB 1.597 39.605 38.000 0.015 0.000 1.315 360 I HN 0.343 nan 8.210 nan 0.000 0.446 361 S N 5.787 121.500 115.700 0.023 0.000 2.585 361 S HA 0.124 4.594 4.470 0.001 0.000 0.273 361 S C 0.936 175.544 174.600 0.013 0.000 1.339 361 S CA -0.558 57.665 58.200 0.038 0.000 1.028 361 S CB 1.442 64.672 63.200 0.051 0.000 0.906 361 S HN 0.782 nan 8.310 nan 0.000 0.528 362 I N 1.323 121.884 120.570 -0.015 0.000 2.454 362 I HA -0.092 4.079 4.170 0.001 0.000 0.254 362 I C 1.905 178.038 176.117 0.026 0.000 1.156 362 I CA 1.457 62.704 61.300 -0.088 0.000 1.433 362 I CB -0.550 37.298 38.000 -0.255 0.000 1.082 362 I HN 0.811 nan 8.210 nan 0.000 0.432 363 E N 0.376 120.602 120.200 0.043 0.000 2.153 363 E HA -0.183 4.168 4.350 0.001 0.000 0.194 363 E C 1.457 178.096 176.600 0.064 0.000 0.988 363 E CA 1.302 57.740 56.400 0.064 0.000 0.811 363 E CB -0.179 29.549 29.700 0.046 0.000 0.746 363 E HN 0.561 nan 8.360 nan 0.000 0.466 364 E N 0.489 120.719 120.200 0.051 0.000 2.569 364 E HA 0.094 4.445 4.350 0.001 0.000 0.205 364 E C -0.520 176.109 176.600 0.048 0.000 1.006 364 E CA -0.214 56.212 56.400 0.044 0.000 0.985 364 E CB 0.657 30.377 29.700 0.032 0.000 1.060 364 E HN 0.103 nan 8.360 nan 0.000 0.460 365 S N 0.564 116.303 115.700 0.066 0.000 2.564 365 S HA 0.130 4.601 4.470 0.001 0.000 0.278 365 S C -1.696 172.956 174.600 0.087 0.000 1.333 365 S CA -1.196 57.044 58.200 0.066 0.000 1.048 365 S CB 1.195 64.424 63.200 0.049 0.000 0.900 365 S HN -0.150 nan 8.310 nan 0.000 0.505 366 P HA 0.007 nan 4.420 nan 0.000 0.218 366 P C -0.122 177.260 177.300 0.136 0.000 1.149 366 P CA 0.450 63.604 63.100 0.089 0.000 0.817 366 P CB -0.113 31.633 31.700 0.077 0.000 0.785 367 V N 1.610 121.616 119.914 0.154 0.000 2.397 367 V HA 0.042 4.162 4.120 0.001 0.000 0.262 367 V C 0.758 176.966 176.094 0.190 0.000 1.047 367 V CA -0.017 62.408 62.300 0.209 0.000 1.003 367 V CB -0.321 31.629 31.823 0.212 0.000 1.037 367 V HN 0.051 nan 8.190 nan 0.000 0.480 368 K N 6.012 126.310 120.400 -0.169 0.000 2.098 368 K HA 0.326 4.647 4.320 0.001 0.000 0.257 368 K C -1.596 174.704 176.600 -0.500 0.000 0.999 368 K CA -1.640 54.415 56.287 -0.387 0.000 0.924 368 K CB 0.744 32.850 32.500 -0.656 0.000 1.028 368 K HN 0.206 nan 8.250 nan 0.000 0.466 369 P HA -0.209 nan 4.420 nan 0.000 0.217 369 P C 0.149 177.162 177.300 -0.478 0.000 1.148 369 P CA 1.407 64.001 63.100 -0.843 0.000 0.834 369 P CB 0.257 31.467 31.700 -0.817 0.000 0.783 370 E N -1.805 118.030 120.200 -0.607 0.000 2.077 370 E HA -0.202 4.148 4.350 0.001 0.000 0.193 370 E C 1.951 178.463 176.600 -0.146 0.000 0.989 370 E CA 1.172 57.210 56.400 -0.603 0.000 0.800 370 E CB -0.825 28.530 29.700 -0.575 0.000 0.746 370 E HN 0.445 nan 8.360 nan 0.000 0.452 371 H N -0.333 118.626 119.070 -0.186 0.000 2.389 371 H HA -0.018 4.539 4.556 0.001 0.000 0.299 371 H C 2.032 177.319 175.328 -0.068 0.000 1.081 371 H CA 0.844 56.829 56.048 -0.104 0.000 1.345 371 H CB -0.533 29.196 29.762 -0.056 0.000 1.393 371 H HN 0.096 nan 8.280 nan 0.000 0.520 372 L N 0.665 121.949 121.223 0.102 0.000 2.072 372 L HA 0.021 4.362 4.340 0.001 0.000 0.205 372 L C 2.449 179.354 176.870 0.058 0.000 1.079 372 L CA 1.572 56.474 54.840 0.104 0.000 0.752 372 L CB -0.787 41.422 42.059 0.250 0.000 0.906 372 L HN 0.199 nan 8.230 nan 0.000 0.436 373 A N -0.922 121.931 122.820 0.055 0.000 1.940 373 A HA -0.283 4.038 4.320 0.001 0.000 0.219 373 A C 2.321 179.930 177.584 0.041 0.000 1.176 373 A CA 2.005 54.121 52.037 0.131 0.000 0.631 373 A CB -0.710 18.373 19.000 0.139 0.000 0.814 373 A HN 0.611 nan 8.150 nan 0.000 0.446 374 E N -0.691 119.480 120.200 -0.049 0.000 2.047 374 E HA -0.182 4.169 4.350 0.001 0.000 0.191 374 E C 1.973 178.467 176.600 -0.176 0.000 0.987 374 E CA 1.288 57.608 56.400 -0.134 0.000 0.799 374 E CB -0.197 29.444 29.700 -0.098 0.000 0.752 374 E HN 0.474 nan 8.360 nan 0.000 0.449 375 L N 0.676 121.808 121.223 -0.152 0.000 2.012 375 L HA -0.161 4.180 4.340 0.001 0.000 0.210 375 L C 2.232 178.920 176.870 -0.304 0.000 1.073 375 L CA 1.474 56.171 54.840 -0.238 0.000 0.748 375 L CB -0.520 41.377 42.059 -0.271 0.000 0.891 375 L HN 0.015 nan 8.230 nan 0.000 0.431 376 V N -0.110 119.668 119.914 -0.227 0.000 2.720 376 V HA -0.265 3.855 4.120 0.001 0.000 0.256 376 V C 2.650 178.756 176.094 0.021 0.000 1.082 376 V CA 1.845 64.075 62.300 -0.117 0.000 1.101 376 V CB -0.812 31.084 31.823 0.122 0.000 0.693 376 V HN 0.528 nan 8.190 nan 0.000 0.479 377 K N 0.218 120.472 120.400 -0.245 0.000 2.025 377 K HA -0.127 4.194 4.320 0.001 0.000 0.207 377 K C 2.098 178.521 176.600 -0.295 0.000 1.049 377 K CA 1.451 57.347 56.287 -0.652 0.000 0.933 377 K CB -0.176 31.771 32.500 -0.922 0.000 0.714 377 K HN 0.414 nan 8.250 nan 0.000 0.438 378 L N 1.194 122.280 121.223 -0.229 0.000 2.131 378 L HA -0.199 4.141 4.340 0.001 0.000 0.210 378 L C 2.332 179.148 176.870 -0.091 0.000 1.092 378 L CA 0.584 55.333 54.840 -0.151 0.000 0.759 378 L CB -0.491 41.476 42.059 -0.152 0.000 0.903 378 L HN 0.223 nan 8.230 nan 0.000 0.435 379 I N 0.247 120.763 120.570 -0.090 0.000 2.286 379 I HA -0.213 3.958 4.170 0.001 0.000 0.245 379 I C 2.564 178.724 176.117 0.073 0.000 1.104 379 I CA 1.330 62.630 61.300 -0.000 0.000 1.397 379 I CB -0.939 37.068 38.000 0.011 0.000 1.072 379 I HN 0.231 nan 8.210 nan 0.000 0.417 380 K N 1.817 122.276 120.400 0.100 0.000 2.025 380 K HA -0.141 4.179 4.320 0.001 0.000 0.207 380 K C 1.803 178.460 176.600 0.096 0.000 1.049 380 K CA 1.478 57.858 56.287 0.154 0.000 0.933 380 K CB -0.161 32.522 32.500 0.306 0.000 0.714 380 K HN 0.262 nan 8.250 nan 0.000 0.438 381 E N 0.397 120.620 120.200 0.039 0.000 2.511 381 E HA -0.026 4.325 4.350 0.001 0.000 0.196 381 E C -0.368 176.237 176.600 0.009 0.000 1.066 381 E CA 0.181 56.588 56.400 0.013 0.000 0.871 381 E CB 0.103 29.779 29.700 -0.039 0.000 0.863 381 E HN 0.228 nan 8.360 nan 0.000 0.520 382 K N -1.171 119.240 120.400 0.018 0.000 3.209 382 K HA -0.213 4.107 4.320 0.001 0.000 0.289 382 K C 0.883 177.483 176.600 0.001 0.000 1.191 382 K CA 0.341 56.640 56.287 0.019 0.000 0.851 382 K CB -1.863 30.653 32.500 0.026 0.000 1.242 382 K HN 0.030 nan 8.250 nan 0.000 0.480 383 V N 0.331 120.233 119.914 -0.019 0.000 2.358 383 V HA -0.126 3.995 4.120 0.001 0.000 0.246 383 V C 1.341 177.420 176.094 -0.026 0.000 1.047 383 V CA 2.095 64.376 62.300 -0.031 0.000 1.035 383 V CB -0.614 31.175 31.823 -0.056 0.000 0.658 383 V HN 0.463 nan 8.190 nan 0.000 0.452 384 I N -2.928 117.627 120.570 -0.025 0.000 3.145 384 I HA 0.708 4.879 4.170 0.001 0.000 0.313 384 I C -0.096 176.030 176.117 0.015 0.000 1.122 384 I CA -0.754 60.539 61.300 -0.012 0.000 0.987 384 I CB 2.141 40.122 38.000 -0.030 0.000 1.236 384 I HN 0.005 nan 8.210 nan 0.000 0.453 385 S N 0.840 116.560 115.700 0.034 0.000 2.646 385 S HA 0.320 4.791 4.470 0.001 0.000 0.276 385 S C 0.838 175.506 174.600 0.112 0.000 1.222 385 S CA -0.025 58.215 58.200 0.067 0.000 1.014 385 S CB 1.359 64.593 63.200 0.058 0.000 0.991 385 S HN 0.749 nan 8.310 nan 0.000 0.533 386 T N 1.617 116.274 114.554 0.171 0.000 2.665 386 T HA -0.161 4.190 4.350 0.001 0.000 0.268 386 T C 1.702 176.545 174.700 0.238 0.000 1.035 386 T CA 1.666 63.939 62.100 0.289 0.000 1.151 386 T CB -0.428 68.582 68.868 0.237 0.000 0.862 386 T HN 0.662 nan 8.240 nan 0.000 0.438 387 K N 0.292 120.775 120.400 0.138 0.000 2.063 387 K HA -0.104 4.217 4.320 0.001 0.000 0.208 387 K C 2.151 178.811 176.600 0.100 0.000 1.048 387 K CA 1.187 57.536 56.287 0.103 0.000 0.928 387 K CB -0.193 32.346 32.500 0.066 0.000 0.713 387 K HN 0.262 nan 8.250 nan 0.000 0.442 388 I N 0.209 120.828 120.570 0.083 0.000 2.406 388 I HA -0.102 4.068 4.170 0.001 0.000 0.249 388 I C 2.477 178.626 176.117 0.053 0.000 1.122 388 I CA 1.160 62.492 61.300 0.053 0.000 1.431 388 I CB -1.671 36.345 38.000 0.026 0.000 1.087 388 I HN 0.225 nan 8.210 nan 0.000 0.424 389 G N 1.105 109.948 108.800 0.072 0.000 2.442 389 G HA2 -0.263 3.698 3.960 0.001 0.000 0.219 389 G HA3 -0.263 3.698 3.960 0.001 0.000 0.219 389 G C 1.813 176.795 174.900 0.136 0.000 1.141 389 G CA 0.559 45.661 45.100 0.002 0.000 0.763 389 G HN 0.351 nan 8.290 nan 0.000 0.554 390 K N 0.062 120.648 120.400 0.309 0.000 2.228 390 K HA 0.036 4.357 4.320 0.001 0.000 0.202 390 K C 2.365 179.060 176.600 0.158 0.000 1.051 390 K CA 0.771 57.243 56.287 0.307 0.000 0.960 390 K CB 0.016 32.660 32.500 0.239 0.000 0.743 390 K HN 0.392 nan 8.250 nan 0.000 0.458 391 E N 0.377 120.639 120.200 0.103 0.000 2.107 391 E HA -0.132 4.218 4.350 0.001 0.000 0.191 391 E C 2.065 178.690 176.600 0.042 0.000 0.982 391 E CA 1.394 57.830 56.400 0.061 0.000 0.809 391 E CB 0.115 29.841 29.700 0.043 0.000 0.756 391 E HN 0.192 nan 8.360 nan 0.000 0.459 392 V N -0.506 119.423 119.914 0.025 0.000 2.488 392 V HA -0.117 4.004 4.120 0.001 0.000 0.246 392 V C 2.250 178.346 176.094 0.003 0.000 1.046 392 V CA 0.989 63.286 62.300 -0.005 0.000 1.053 392 V CB -0.525 31.273 31.823 -0.042 0.000 0.679 392 V HN 0.149 nan 8.190 nan 0.000 0.458 393 I N 0.047 120.633 120.570 0.026 0.000 2.286 393 I HA -0.211 3.959 4.170 0.001 0.000 0.248 393 I C 2.765 178.924 176.117 0.069 0.000 1.115 393 I CA 1.687 63.022 61.300 0.058 0.000 1.392 393 I CB -0.122 37.961 38.000 0.137 0.000 1.065 393 I HN 0.257 nan 8.210 nan 0.000 0.418 394 K N 0.025 120.468 120.400 0.071 0.000 2.097 394 K HA -0.234 4.087 4.320 0.001 0.000 0.206 394 K C 2.009 178.632 176.600 0.039 0.000 1.049 394 K CA 1.478 57.798 56.287 0.056 0.000 0.933 394 K CB -0.113 32.419 32.500 0.054 0.000 0.717 394 K HN 0.427 nan 8.250 nan 0.000 0.442 395 E N 0.357 120.574 120.200 0.029 0.000 2.230 395 E HA -0.035 4.316 4.350 0.001 0.000 0.192 395 E C 1.978 178.587 176.600 0.015 0.000 0.987 395 E CA 0.187 56.597 56.400 0.017 0.000 0.841 395 E CB 0.177 29.882 29.700 0.008 0.000 0.783 395 E HN 0.236 nan 8.360 nan 0.000 0.481 396 M N 0.109 119.718 119.600 0.016 0.000 2.082 396 M HA -0.210 4.271 4.480 0.001 0.000 0.258 396 M C 2.294 178.621 176.300 0.045 0.000 1.069 396 M CA 1.343 56.657 55.300 0.023 0.000 1.102 396 M CB -0.104 32.514 32.600 0.030 0.000 1.336 396 M HN 0.044 nan 8.290 nan 0.000 0.404 397 V N -0.182 119.761 119.914 0.048 0.000 2.343 397 V HA -0.253 3.868 4.120 0.001 0.000 0.247 397 V C 2.132 178.248 176.094 0.037 0.000 1.051 397 V CA 2.046 64.374 62.300 0.047 0.000 1.036 397 V CB -0.612 31.238 31.823 0.044 0.000 0.654 397 V HN 0.436 nan 8.190 nan 0.000 0.451 398 E N 0.212 120.430 120.200 0.030 0.000 2.106 398 E HA -0.159 4.192 4.350 0.001 0.000 0.192 398 E C 2.215 178.827 176.600 0.020 0.000 0.984 398 E CA 1.900 58.314 56.400 0.023 0.000 0.806 398 E CB -0.102 29.609 29.700 0.019 0.000 0.750 398 E HN 0.834 nan 8.360 nan 0.000 0.458 399 T N -5.420 109.145 114.554 0.019 0.000 3.234 399 T HA 0.396 4.747 4.350 0.001 0.000 0.235 399 T C 1.579 176.292 174.700 0.023 0.000 0.971 399 T CA 0.608 62.716 62.100 0.014 0.000 1.292 399 T CB 0.378 69.247 68.868 0.003 0.000 0.994 399 T HN 0.235 nan 8.240 nan 0.000 0.412 400 G N 1.267 110.084 108.800 0.029 0.000 2.227 400 G HA2 -0.070 3.890 3.960 0.001 0.000 0.168 400 G HA3 -0.070 3.890 3.960 0.001 0.000 0.168 400 G C -0.161 174.752 174.900 0.023 0.000 1.006 400 G CA -0.271 44.861 45.100 0.053 0.000 0.684 400 G HN 0.722 nan 8.290 nan 0.000 0.489 401 K N 1.771 122.155 120.400 -0.028 0.000 2.202 401 K HA 0.513 4.834 4.320 0.001 0.000 0.264 401 K C 0.844 177.321 176.600 -0.206 0.000 1.010 401 K CA 0.144 56.374 56.287 -0.095 0.000 0.940 401 K CB 0.622 33.080 32.500 -0.071 0.000 0.983 401 K HN 0.199 nan 8.250 nan 0.000 0.475 402 T N 1.916 116.269 114.554 -0.336 0.000 2.903 402 T HA -0.013 4.338 4.350 0.001 0.000 0.314 402 T C -1.525 173.023 174.700 -0.254 0.000 1.078 402 T CA -1.339 60.470 62.100 -0.484 0.000 1.114 402 T CB 0.179 68.801 68.868 -0.410 0.000 0.987 402 T HN 0.428 nan 8.240 nan 0.000 0.548 403 P HA -0.182 nan 4.420 nan 0.000 0.215 403 P C 1.893 179.115 177.300 -0.130 0.000 1.157 403 P CA 1.581 64.593 63.100 -0.146 0.000 0.868 403 P CB -0.208 31.405 31.700 -0.145 0.000 0.788 404 S N -0.505 115.113 115.700 -0.137 0.000 2.382 404 S HA -0.221 4.250 4.470 0.001 0.000 0.228 404 S C 2.273 176.816 174.600 -0.095 0.000 1.027 404 S CA 0.890 59.024 58.200 -0.110 0.000 0.991 404 S CB -1.360 61.776 63.200 -0.107 0.000 0.823 404 S HN 0.121 nan 8.310 nan 0.000 0.469 405 Q N 1.042 120.776 119.800 -0.109 0.000 2.014 405 Q HA -0.135 4.206 4.340 0.001 0.000 0.207 405 Q C 2.373 178.330 176.000 -0.071 0.000 0.993 405 Q CA 2.251 58.000 55.803 -0.089 0.000 0.850 405 Q CB -0.489 28.187 28.738 -0.104 0.000 0.916 405 Q HN 0.905 nan 8.270 nan 0.000 0.417 406 I N -2.505 118.021 120.570 -0.074 0.000 2.928 406 I HA -0.098 4.073 4.170 0.001 0.000 0.266 406 I C 2.065 178.153 176.117 -0.048 0.000 1.234 406 I CA 0.331 61.599 61.300 -0.054 0.000 1.483 406 I CB -0.345 37.626 38.000 -0.048 0.000 1.097 406 I HN -0.053 nan 8.210 nan 0.000 0.455 407 V N 2.005 121.884 119.914 -0.058 0.000 2.307 407 V HA -0.268 3.853 4.120 0.001 0.000 0.245 407 V C 2.736 178.805 176.094 -0.041 0.000 1.045 407 V CA 2.479 64.749 62.300 -0.051 0.000 1.024 407 V CB -0.521 31.265 31.823 -0.062 0.000 0.651 407 V HN 0.572 nan 8.190 nan 0.000 0.449 408 E N 0.194 120.368 120.200 -0.044 0.000 2.028 408 E HA -0.263 4.087 4.350 0.001 0.000 0.191 408 E C 2.102 178.684 176.600 -0.030 0.000 0.988 408 E CA 1.572 57.950 56.400 -0.037 0.000 0.799 408 E CB -0.205 29.471 29.700 -0.040 0.000 0.755 408 E HN 0.668 nan 8.360 nan 0.000 0.447 409 E N -0.180 120.001 120.200 -0.032 0.000 2.333 409 E HA -0.165 4.186 4.350 0.001 0.000 0.200 409 E C 1.224 177.812 176.600 -0.020 0.000 1.010 409 E CA 0.863 57.247 56.400 -0.026 0.000 0.841 409 E CB 0.137 29.820 29.700 -0.027 0.000 0.757 409 E HN 0.177 nan 8.360 nan 0.000 0.508 410 K N -0.920 119.468 120.400 -0.021 0.000 2.477 410 K HA 0.190 4.510 4.320 0.001 0.000 0.208 410 K C -0.091 176.500 176.600 -0.014 0.000 1.117 410 K CA 0.354 56.632 56.287 -0.016 0.000 1.039 410 K CB 1.963 34.454 32.500 -0.014 0.000 0.937 410 K HN 0.124 nan 8.250 nan 0.000 0.570 411 G N 2.956 111.746 108.800 -0.018 0.000 3.019 411 G HA2 -0.170 3.791 3.960 0.001 0.000 0.686 411 G HA3 -0.170 3.791 3.960 0.001 0.000 0.686 411 G C -0.300 174.590 174.900 -0.018 0.000 1.056 411 G CA -0.505 44.586 45.100 -0.016 0.000 0.774 411 G HN 0.090 nan 8.290 nan 0.000 0.583 412 L N 0.000 121.211 121.223 -0.019 0.000 2.949 412 L HA 0.000 4.341 4.340 0.001 0.000 0.249 412 L CA 0.000 54.827 54.840 -0.021 0.000 0.813 412 L CB 0.000 42.045 42.059 -0.024 0.000 0.961 412 L HN 0.000 nan 8.230 nan 0.000 0.502