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 3k0s_1_B DATA FIRST_RESID 18 DATA SEQUENCE LRLKAQHPEI LLFYRMGDFY ELFYDDAKRA SQLLDISLTX XXXXXXXXXP DATA SEQUENCE MAGIPYHAVE NYLAKLVNQG ESVAICEQXX XXXXXXXXXE RKVVRIVTPG DATA SEQUENCE TISDEALLQE RQDNLLAAIW QDSKGFGYAT LDISSGRFRL SEPADRETMA DATA SEQUENCE AELQRTNPAE LLYAEDFAEM SLIEGRRGLR RRPLWEFEID TARQQLNLQF DATA SEQUENCE GTRDLVGFGV ENAPRGLCAA GCLLQYAKDT QRTTLPHIRS ITMEREQDSI DATA SEQUENCE IMDAATRRNL EITQNLAGGA ENTLASVLDC TVTPMGSRML KRWLHMPVRD DATA SEQUENCE TRVLLERQQT IGALQDFTAG LQPVLRQVGD LERILARLAL RTARPRDLAR DATA SEQUENCE MRHAFQQLPE LRAQLETVDS APVQALREKM GEFAELRDLL ERAIIDTPPV DATA SEQUENCE LVRDGGVIAS GYNEELDEWR ALADGATDYL ERLEVRERER TGLDTLKVGF DATA SEQUENCE NAVHGYYIQI SRGQSHLAPI NYMRRQTLKN AERYIIPELK EYEDKVLTSK DATA SEQUENCE GKALALEKQL YEELFDLLLP HLEALQQSAS ALAELDVLVN LAERAYTLNY DATA SEQUENCE TCPTFIDKPG IRITEGRHPV VEQVLNEPFI ANPLNLSPQR RMLIITGPNM DATA SEQUENCE GGKSTYMRQT ALIALMAYIG SYVPAQKVEI GPIDRIFTRV GXXXXXXXXX DATA SEQUENCE STFMVEMTET ANILHNATEY SLVLMNEIGR GTSTYDGLSL AWACAENLAN DATA SEQUENCE KIKALTLFAT HYFELTQLPE KMEGVANVHL DALEHGDTIA FMHSVQDGAA DATA SEQUENCE SKSYGLAVAA LAGVPKEVIK RARQKLRELE SIS 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 18 L HA 0.000 nan 4.340 nan 0.000 0.249 18 L C 0.000 176.878 176.870 0.013 0.000 1.165 18 L CA 0.000 54.837 54.840 -0.005 0.000 0.813 18 L CB 0.000 42.049 42.059 -0.016 0.000 0.961 19 R N 0.668 121.184 120.500 0.025 0.000 2.153 19 R HA 0.130 4.471 4.340 0.001 0.000 0.218 19 R C 1.881 178.209 176.300 0.047 0.000 1.072 19 R CA 0.870 56.987 56.100 0.028 0.000 0.990 19 R CB -0.002 30.315 30.300 0.029 0.000 0.889 19 R HN 0.281 nan 8.270 nan 0.000 0.452 20 L N 0.717 121.993 121.223 0.087 0.000 2.291 20 L HA -0.081 4.260 4.340 0.001 0.000 0.214 20 L C 2.267 179.210 176.870 0.121 0.000 1.120 20 L CA 0.877 55.791 54.840 0.123 0.000 0.799 20 L CB -0.106 42.078 42.059 0.209 0.000 0.925 20 L HN -0.008 nan 8.230 nan 0.000 0.446 21 K N 0.692 121.153 120.400 0.102 0.000 2.296 21 K HA -0.016 4.305 4.320 0.001 0.000 0.200 21 K C 1.978 178.611 176.600 0.055 0.000 1.048 21 K CA 1.103 57.450 56.287 0.100 0.000 0.966 21 K CB -0.063 32.489 32.500 0.087 0.000 0.754 21 K HN 0.175 nan 8.250 nan 0.000 0.466 22 A N 0.605 123.436 122.820 0.019 0.000 2.015 22 A HA -0.161 4.160 4.320 0.001 0.000 0.219 22 A C 1.895 179.438 177.584 -0.067 0.000 1.163 22 A CA 1.319 53.348 52.037 -0.014 0.000 0.646 22 A CB -0.415 18.576 19.000 -0.016 0.000 0.806 22 A HN 0.497 nan 8.150 nan 0.000 0.448 23 Q N -0.820 118.907 119.800 -0.120 0.000 2.167 23 Q HA -0.084 4.256 4.340 0.001 0.000 0.202 23 Q C -0.273 175.328 176.000 -0.664 0.000 0.970 23 Q CA 0.931 56.512 55.803 -0.370 0.000 0.855 23 Q CB 0.017 28.519 28.738 -0.393 0.000 0.911 23 Q HN 0.796 nan 8.270 nan 0.000 0.438 24 H N -1.611 117.481 119.070 0.037 0.000 2.974 24 H HA 0.174 4.731 4.556 0.001 0.000 0.285 24 H C -2.168 173.182 175.328 0.037 0.000 1.227 24 H CA -1.699 54.369 56.048 0.034 0.000 1.569 24 H CB 1.516 31.295 29.762 0.028 0.000 1.648 24 H HN 0.036 nan 8.280 nan 0.000 0.521 25 P HA -0.037 nan 4.420 nan 0.000 0.217 25 P C 0.760 178.107 177.300 0.079 0.000 1.154 25 P CA 1.002 64.146 63.100 0.073 0.000 0.841 25 P CB 0.594 32.321 31.700 0.045 0.000 0.788 26 E N -0.701 119.549 120.200 0.083 0.000 2.403 26 E HA 0.177 4.528 4.350 0.001 0.000 0.188 26 E C 0.123 176.765 176.600 0.070 0.000 1.056 26 E CA -0.056 56.386 56.400 0.071 0.000 0.892 26 E CB -0.077 29.661 29.700 0.063 0.000 1.049 26 E HN 0.303 nan 8.360 nan 0.000 0.465 27 I N 1.799 122.418 120.570 0.082 0.000 2.436 27 I HA 0.200 4.371 4.170 0.001 0.000 0.289 27 I C -0.044 176.107 176.117 0.058 0.000 1.010 27 I CA -0.977 60.354 61.300 0.051 0.000 1.098 27 I CB 1.695 39.710 38.000 0.024 0.000 1.266 27 I HN -0.081 nan 8.210 nan 0.000 0.434 28 L N 5.809 127.057 121.223 0.041 0.000 2.578 28 L HA -0.031 4.309 4.340 0.001 0.000 0.279 28 L C -0.247 176.681 176.870 0.098 0.000 1.227 28 L CA 0.155 55.043 54.840 0.080 0.000 0.900 28 L CB 0.061 42.170 42.059 0.083 0.000 1.144 28 L HN 0.414 nan 8.230 nan 0.000 0.496 29 L N 4.664 125.987 121.223 0.167 0.000 2.276 29 L HA 0.390 4.731 4.340 0.001 0.000 0.286 29 L C -0.591 176.468 176.870 0.315 0.000 1.024 29 L CA 0.100 55.062 54.840 0.204 0.000 0.826 29 L CB 0.550 42.730 42.059 0.201 0.000 1.211 29 L HN 0.173 nan 8.230 nan 0.000 0.422 30 F N 5.358 125.294 119.950 -0.023 0.000 2.439 30 F HA 0.174 4.702 4.527 0.001 0.000 0.356 30 F C -0.271 175.582 175.800 0.089 0.000 1.161 30 F CA -0.310 57.661 58.000 -0.048 0.000 1.151 30 F CB -0.113 38.731 39.000 -0.260 0.000 1.222 30 F HN 0.363 nan 8.300 nan 0.000 0.558 31 Y N 4.389 124.752 120.300 0.104 0.000 2.425 31 Y HA 0.358 4.909 4.550 0.001 0.000 0.347 31 Y C 0.574 176.636 175.900 0.269 0.000 0.976 31 Y CA -1.111 57.087 58.100 0.162 0.000 1.190 31 Y CB 0.144 38.657 38.460 0.089 0.000 1.136 31 Y HN 0.418 nan 8.280 nan 0.000 0.517 32 R N 6.004 126.519 120.500 0.025 0.000 2.473 32 R HA 0.124 4.465 4.340 0.001 0.000 0.315 32 R C -1.184 175.046 176.300 -0.116 0.000 0.972 32 R CA 0.607 56.714 56.100 0.012 0.000 1.047 32 R CB -0.519 29.791 30.300 0.016 0.000 0.932 32 R HN 0.858 nan 8.270 nan 0.000 0.411 33 M N 5.435 125.025 119.600 -0.017 0.000 2.291 33 M HA 0.318 4.798 4.480 0.001 0.000 0.202 33 M C -0.205 176.148 176.300 0.088 0.000 0.985 33 M CA 0.655 56.007 55.300 0.087 0.000 0.993 33 M CB 0.788 33.545 32.600 0.262 0.000 2.723 33 M HN 0.862 nan 8.290 nan 0.000 0.402 34 G N 2.506 111.317 108.800 0.018 0.000 2.545 34 G HA2 -0.212 3.749 3.960 0.001 0.000 0.240 34 G HA3 -0.212 3.749 3.960 0.001 0.000 0.240 34 G C -0.340 174.494 174.900 -0.110 0.000 1.172 34 G CA 0.120 45.236 45.100 0.027 0.000 0.949 34 G HN 0.600 nan 8.290 nan 0.000 0.574 35 D N 1.127 121.437 120.400 -0.150 0.000 2.325 35 D HA 0.417 5.057 4.640 0.001 0.000 0.225 35 D C 0.160 175.910 176.300 -0.916 0.000 1.096 35 D CA 0.864 54.510 54.000 -0.592 0.000 0.844 35 D CB -0.030 40.310 40.800 -0.767 0.000 0.925 35 D HN 0.209 nan 8.370 nan 0.000 0.513 36 F N -0.882 118.973 119.950 -0.158 0.000 2.685 36 F HA 0.383 4.911 4.527 0.001 0.000 0.315 36 F C -0.439 175.156 175.800 -0.343 0.000 1.126 36 F CA -1.350 56.540 58.000 -0.184 0.000 0.950 36 F CB 0.819 39.756 39.000 -0.105 0.000 1.360 36 F HN -0.303 nan 8.300 nan 0.000 0.469 37 Y N 0.271 120.626 120.300 0.092 0.000 2.419 37 Y HA 0.621 5.171 4.550 0.001 0.000 0.328 37 Y C -0.360 175.403 175.900 -0.229 0.000 1.162 37 Y CA -0.893 57.163 58.100 -0.073 0.000 1.174 37 Y CB 1.464 39.825 38.460 -0.163 0.000 1.228 37 Y HN 0.433 nan 8.280 nan 0.000 0.473 38 E N 1.955 122.094 120.200 -0.102 0.000 2.314 38 E HA 0.570 4.921 4.350 0.001 0.000 0.272 38 E C -1.799 174.402 176.600 -0.664 0.000 0.884 38 E CA -0.921 55.247 56.400 -0.386 0.000 0.753 38 E CB 2.436 31.956 29.700 -0.301 0.000 1.213 38 E HN 0.339 nan 8.360 nan 0.000 0.432 39 L N 2.023 122.820 121.223 -0.709 0.000 2.334 39 L HA 0.590 4.930 4.340 0.001 0.000 0.273 39 L C -0.924 175.554 176.870 -0.653 0.000 1.013 39 L CA -0.499 54.000 54.840 -0.568 0.000 0.816 39 L CB 0.596 42.519 42.059 -0.228 0.000 1.278 39 L HN 0.417 nan 8.230 nan 0.000 0.431 40 F N 0.695 120.667 119.950 0.036 0.000 2.593 40 F HA 0.704 5.232 4.527 0.001 0.000 0.320 40 F C 0.151 176.017 175.800 0.110 0.000 1.060 40 F CA -1.122 56.864 58.000 -0.022 0.000 0.940 40 F CB 0.920 39.900 39.000 -0.035 0.000 1.268 40 F HN 0.387 nan 8.300 nan 0.000 0.475 41 Y N -0.594 119.823 120.300 0.196 0.000 2.887 41 Y HA -0.405 4.146 4.550 0.001 0.000 0.467 41 Y C 1.758 177.702 175.900 0.074 0.000 1.191 41 Y CA 1.141 59.303 58.100 0.104 0.000 2.537 41 Y CB -1.332 37.182 38.460 0.090 0.000 1.225 41 Y HN 0.549 nan 8.280 nan 0.000 0.630 42 D N 0.162 120.730 120.400 0.281 0.000 2.178 42 D HA -0.107 4.534 4.640 0.001 0.000 0.201 42 D C 1.432 177.807 176.300 0.124 0.000 0.980 42 D CA 1.735 55.829 54.000 0.156 0.000 0.842 42 D CB -0.449 40.423 40.800 0.121 0.000 0.948 42 D HN 0.444 nan 8.370 nan 0.000 0.472 43 D N 0.406 120.892 120.400 0.142 0.000 2.144 43 D HA -0.066 4.575 4.640 0.001 0.000 0.200 43 D C 2.019 178.357 176.300 0.063 0.000 0.978 43 D CA 1.094 55.158 54.000 0.106 0.000 0.833 43 D CB -0.255 40.613 40.800 0.114 0.000 0.961 43 D HN 0.140 nan 8.370 nan 0.000 0.470 44 A N 0.983 123.834 122.820 0.053 0.000 1.897 44 A HA -0.171 4.150 4.320 0.001 0.000 0.215 44 A C 2.021 179.615 177.584 0.016 0.000 1.181 44 A CA 1.594 53.631 52.037 0.001 0.000 0.620 44 A CB -0.440 18.562 19.000 0.003 0.000 0.821 44 A HN 0.181 nan 8.150 nan 0.000 0.443 45 K N -0.110 120.317 120.400 0.045 0.000 1.969 45 K HA -0.221 4.099 4.320 0.001 0.000 0.216 45 K C 2.217 178.840 176.600 0.040 0.000 1.048 45 K CA 1.719 58.031 56.287 0.042 0.000 0.948 45 K CB -0.376 32.160 32.500 0.060 0.000 0.726 45 K HN 0.406 nan 8.250 nan 0.000 0.442 46 R N 0.130 120.661 120.500 0.052 0.000 2.080 46 R HA -0.140 4.201 4.340 0.001 0.000 0.236 46 R C 2.564 178.894 176.300 0.050 0.000 1.137 46 R CA 1.436 57.568 56.100 0.052 0.000 0.943 46 R CB -0.623 29.714 30.300 0.062 0.000 0.846 46 R HN 0.413 nan 8.270 nan 0.000 0.431 47 A N 0.728 123.579 122.820 0.052 0.000 1.917 47 A HA -0.248 4.073 4.320 0.001 0.000 0.219 47 A C 2.242 179.843 177.584 0.028 0.000 1.182 47 A CA 2.113 54.181 52.037 0.053 0.000 0.633 47 A CB -0.735 18.286 19.000 0.035 0.000 0.819 47 A HN 0.388 nan 8.150 nan 0.000 0.448 48 S N 0.031 115.737 115.700 0.009 0.000 2.368 48 S HA -0.245 4.225 4.470 0.001 0.000 0.225 48 S C 2.166 176.779 174.600 0.023 0.000 1.030 48 S CA 1.709 59.911 58.200 0.003 0.000 0.999 48 S CB -0.478 62.720 63.200 -0.005 0.000 0.844 48 S HN 0.811 nan 8.310 nan 0.000 0.459 49 Q N -0.717 119.100 119.800 0.029 0.000 2.432 49 Q HA 0.096 4.437 4.340 0.001 0.000 0.205 49 Q C 1.589 177.614 176.000 0.041 0.000 0.945 49 Q CA 0.595 56.418 55.803 0.033 0.000 0.924 49 Q CB -0.112 28.645 28.738 0.032 0.000 1.016 49 Q HN 0.479 nan 8.270 nan 0.000 0.503 50 L N -0.057 121.196 121.223 0.051 0.000 2.357 50 L HA 0.193 4.534 4.340 0.001 0.000 0.211 50 L C 1.519 178.438 176.870 0.081 0.000 1.075 50 L CA 0.960 55.837 54.840 0.062 0.000 0.830 50 L CB 0.414 42.514 42.059 0.068 0.000 0.996 50 L HN 0.198 nan 8.230 nan 0.000 0.467 51 L N -1.448 119.830 121.223 0.092 0.000 2.959 51 L HA 0.255 4.596 4.340 0.001 0.000 0.259 51 L C -0.236 176.711 176.870 0.129 0.000 1.185 51 L CA -0.235 54.692 54.840 0.146 0.000 0.998 51 L CB 0.152 42.328 42.059 0.195 0.000 1.337 51 L HN 0.074 nan 8.230 nan 0.000 0.555 52 D N 1.906 122.353 120.400 0.079 0.000 2.927 52 D HA -0.187 4.453 4.640 0.001 0.000 0.236 52 D C -0.780 175.556 176.300 0.060 0.000 1.163 52 D CA 0.669 54.707 54.000 0.063 0.000 0.801 52 D CB -0.322 40.519 40.800 0.068 0.000 0.975 52 D HN -0.039 nan 8.370 nan 0.000 0.413 53 I N 0.439 121.026 120.570 0.028 0.000 2.802 53 I HA 0.242 4.413 4.170 0.001 0.000 0.298 53 I C 0.595 176.699 176.117 -0.022 0.000 1.176 53 I CA -0.749 60.548 61.300 -0.006 0.000 1.025 53 I CB 1.884 39.849 38.000 -0.058 0.000 1.243 53 I HN -0.041 nan 8.210 nan 0.000 0.424 54 S N 4.205 119.885 115.700 -0.033 0.000 2.562 54 S HA 0.305 4.776 4.470 0.001 0.000 0.281 54 S C -0.172 174.402 174.600 -0.043 0.000 1.333 54 S CA -0.270 57.910 58.200 -0.033 0.000 1.052 54 S CB 0.560 63.738 63.200 -0.036 0.000 0.884 54 S HN 0.396 nan 8.310 nan 0.000 0.506 55 L N 4.253 125.458 121.223 -0.030 0.000 2.313 55 L HA 0.432 4.773 4.340 0.001 0.000 0.273 55 L C 0.032 176.884 176.870 -0.031 0.000 1.028 55 L CA 0.234 55.056 54.840 -0.029 0.000 0.871 55 L CB 0.371 42.421 42.059 -0.016 0.000 1.242 55 L HN 0.588 nan 8.230 nan 0.000 0.434 68 M N 1.750 121.358 119.600 0.014 0.000 2.414 68 M HA 0.804 5.285 4.480 0.001 0.000 0.287 68 M C -2.245 174.047 176.300 -0.014 0.000 1.181 68 M CA -0.149 55.228 55.300 0.128 0.000 0.933 68 M CB 2.166 34.893 32.600 0.211 0.000 1.732 68 M HN 0.697 nan 8.290 nan 0.000 0.486 69 A N 2.136 124.893 122.820 -0.105 0.000 2.572 69 A HA 0.947 5.267 4.320 0.001 0.000 0.295 69 A C -0.802 176.632 177.584 -0.250 0.000 1.072 69 A CA -0.132 51.809 52.037 -0.161 0.000 0.691 69 A CB 1.901 20.812 19.000 -0.148 0.000 1.291 69 A HN 1.098 nan 8.150 nan 0.000 0.404 70 G N 0.375 109.025 108.800 -0.251 0.000 2.524 70 G HA2 0.615 4.576 3.960 0.001 0.000 0.310 70 G HA3 0.615 4.576 3.960 0.001 0.000 0.310 70 G C -1.242 173.495 174.900 -0.271 0.000 1.279 70 G CA -0.412 44.526 45.100 -0.271 0.000 0.974 70 G HN 0.489 nan 8.290 nan 0.000 0.484 71 I N 2.245 122.697 120.570 -0.197 0.000 2.466 71 I HA 0.354 4.525 4.170 0.001 0.000 0.289 71 I C -2.314 173.895 176.117 0.153 0.000 1.026 71 I CA -2.785 58.403 61.300 -0.187 0.000 1.078 71 I CB 2.375 40.157 38.000 -0.363 0.000 1.249 71 I HN 0.231 nan 8.210 nan 0.000 0.429 72 P HA 0.015 nan 4.420 nan 0.000 0.271 72 P C 0.536 177.781 177.300 -0.092 0.000 1.226 72 P CA 0.069 63.206 63.100 0.063 0.000 0.765 72 P CB 0.746 32.408 31.700 -0.063 0.000 0.835 73 Y N 5.481 125.624 120.300 -0.260 0.000 2.165 73 Y HA -0.320 4.231 4.550 0.001 0.000 0.286 73 Y C 2.526 178.401 175.900 -0.041 0.000 1.155 73 Y CA 2.431 60.438 58.100 -0.154 0.000 1.164 73 Y CB -0.995 37.305 38.460 -0.268 0.000 0.978 73 Y HN 0.551 nan 8.280 nan 0.000 0.513 74 H N -1.289 117.836 119.070 0.091 0.000 2.456 74 H HA 0.105 4.661 4.556 0.001 0.000 0.296 74 H C 1.303 176.621 175.328 -0.015 0.000 1.079 74 H CA 1.183 57.254 56.048 0.038 0.000 1.322 74 H CB -0.385 29.420 29.762 0.071 0.000 1.388 74 H HN 0.227 nan 8.280 nan 0.000 0.538 75 A N 1.017 123.606 122.820 -0.385 0.000 2.631 75 A HA 0.390 4.711 4.320 0.001 0.000 0.294 75 A C 1.685 179.291 177.584 0.036 0.000 1.156 75 A CA 0.160 52.100 52.037 -0.162 0.000 0.963 75 A CB -0.250 18.631 19.000 -0.198 0.000 1.202 75 A HN 0.311 nan 8.150 nan 0.000 0.523 76 V N 0.028 119.962 119.914 0.033 0.000 2.343 76 V HA -0.167 3.954 4.120 0.001 0.000 0.247 76 V C 2.204 178.381 176.094 0.138 0.000 1.051 76 V CA 2.596 65.015 62.300 0.198 0.000 1.036 76 V CB -0.254 31.685 31.823 0.193 0.000 0.654 76 V HN 0.632 nan 8.190 nan 0.000 0.451 77 E N 0.328 120.532 120.200 0.006 0.000 2.153 77 E HA -0.225 4.126 4.350 0.001 0.000 0.194 77 E C 2.039 178.616 176.600 -0.038 0.000 0.988 77 E CA 1.372 57.755 56.400 -0.028 0.000 0.811 77 E CB -0.644 29.024 29.700 -0.054 0.000 0.746 77 E HN 0.651 nan 8.360 nan 0.000 0.466 78 N N 0.103 118.757 118.700 -0.077 0.000 2.364 78 N HA -0.152 4.588 4.740 0.001 0.000 0.183 78 N C 1.207 176.559 175.510 -0.263 0.000 1.022 78 N CA 0.873 53.808 53.050 -0.192 0.000 0.883 78 N CB -0.070 38.247 38.487 -0.283 0.000 0.965 78 N HN 0.187 nan 8.380 nan 0.000 0.438 79 Y N -0.108 120.208 120.300 0.026 0.000 2.436 79 Y HA 0.254 4.805 4.550 0.001 0.000 0.288 79 Y C 2.053 177.969 175.900 0.028 0.000 1.112 79 Y CA 0.192 58.333 58.100 0.068 0.000 1.220 79 Y CB -0.090 38.468 38.460 0.163 0.000 1.073 79 Y HN -0.037 nan 8.280 nan 0.000 0.552 80 L N -0.696 120.590 121.223 0.105 0.000 2.083 80 L HA -0.236 4.105 4.340 0.001 0.000 0.209 80 L C 2.601 179.443 176.870 -0.046 0.000 1.083 80 L CA 1.223 56.028 54.840 -0.059 0.000 0.752 80 L CB -0.785 41.198 42.059 -0.127 0.000 0.899 80 L HN 0.232 nan 8.230 nan 0.000 0.433 81 A N 0.151 122.951 122.820 -0.032 0.000 1.902 81 A HA -0.214 4.106 4.320 0.001 0.000 0.217 81 A C 2.344 179.914 177.584 -0.022 0.000 1.181 81 A CA 1.658 53.672 52.037 -0.039 0.000 0.623 81 A CB -0.285 18.684 19.000 -0.051 0.000 0.818 81 A HN 0.318 nan 8.150 nan 0.000 0.443 82 K N -0.575 119.825 120.400 -0.001 0.000 2.062 82 K HA 0.056 4.377 4.320 0.001 0.000 0.205 82 K C 1.862 178.485 176.600 0.039 0.000 1.051 82 K CA 1.178 57.479 56.287 0.023 0.000 0.941 82 K CB -0.305 32.226 32.500 0.051 0.000 0.719 82 K HN 0.442 nan 8.250 nan 0.000 0.440 83 L N 0.777 122.030 121.223 0.050 0.000 2.056 83 L HA -0.163 4.178 4.340 0.001 0.000 0.207 83 L C 2.452 179.315 176.870 -0.011 0.000 1.078 83 L CA 0.917 55.773 54.840 0.026 0.000 0.749 83 L CB -0.671 41.391 42.059 0.005 0.000 0.901 83 L HN 0.092 nan 8.230 nan 0.000 0.433 84 V N -2.713 117.180 119.914 -0.035 0.000 2.515 84 V HA -0.188 3.933 4.120 0.001 0.000 0.250 84 V C 2.148 178.231 176.094 -0.018 0.000 1.058 84 V CA 2.093 64.371 62.300 -0.037 0.000 1.064 84 V CB -0.907 30.884 31.823 -0.053 0.000 0.675 84 V HN 0.432 nan 8.190 nan 0.000 0.461 85 N N 0.982 119.675 118.700 -0.012 0.000 2.289 85 N HA -0.174 4.567 4.740 0.001 0.000 0.184 85 N C 1.815 177.326 175.510 0.002 0.000 1.016 85 N CA 1.689 54.736 53.050 -0.006 0.000 0.872 85 N CB -0.406 38.078 38.487 -0.006 0.000 0.973 85 N HN 0.760 nan 8.380 nan 0.000 0.433 86 Q N -1.427 118.378 119.800 0.008 0.000 2.246 86 Q HA 0.272 4.612 4.340 0.001 0.000 0.202 86 Q C 0.489 176.496 176.000 0.012 0.000 0.883 86 Q CA 0.290 56.101 55.803 0.014 0.000 0.952 86 Q CB 0.496 29.248 28.738 0.024 0.000 1.078 86 Q HN 0.414 nan 8.270 nan 0.000 0.493 87 G N 0.935 109.738 108.800 0.006 0.000 2.157 87 G HA2 -0.189 3.771 3.960 0.001 0.000 0.239 87 G HA3 -0.189 3.771 3.960 0.001 0.000 0.239 87 G C -0.222 174.682 174.900 0.007 0.000 0.982 87 G CA -0.335 44.769 45.100 0.007 0.000 0.650 87 G HN 0.219 nan 8.290 nan 0.000 0.527 88 E N 1.085 121.284 120.200 -0.001 0.000 2.197 88 E HA 0.523 4.874 4.350 0.001 0.000 0.281 88 E C 0.154 176.731 176.600 -0.038 0.000 0.995 88 E CA -0.213 56.182 56.400 -0.009 0.000 0.808 88 E CB 1.511 31.208 29.700 -0.006 0.000 1.093 88 E HN 0.213 nan 8.360 nan 0.000 0.394 89 S N 1.088 116.768 115.700 -0.035 0.000 2.580 89 S HA 0.358 4.828 4.470 0.001 0.000 0.274 89 S C 0.051 174.574 174.600 -0.129 0.000 1.329 89 S CA -0.661 57.497 58.200 -0.070 0.000 1.036 89 S CB 0.948 64.125 63.200 -0.037 0.000 0.919 89 S HN 0.240 nan 8.310 nan 0.000 0.515 90 V N 1.635 121.422 119.914 -0.213 0.000 2.588 90 V HA 0.704 4.825 4.120 0.001 0.000 0.304 90 V C -0.030 175.885 176.094 -0.298 0.000 1.042 90 V CA -0.917 61.182 62.300 -0.335 0.000 0.877 90 V CB 1.499 32.939 31.823 -0.638 0.000 0.996 90 V HN 0.977 nan 8.190 nan 0.000 0.425 91 A N 5.963 128.648 122.820 -0.226 0.000 2.301 91 A HA 0.865 5.186 4.320 0.001 0.000 0.312 91 A C -0.632 176.875 177.584 -0.128 0.000 1.182 91 A CA -0.472 51.459 52.037 -0.176 0.000 0.826 91 A CB 0.514 19.453 19.000 -0.103 0.000 1.134 91 A HN 0.632 nan 8.150 nan 0.000 0.501 92 I N 1.849 122.343 120.570 -0.127 0.000 2.362 92 I HA 0.246 4.417 4.170 0.001 0.000 0.289 92 I C -0.311 175.803 176.117 -0.005 0.000 0.994 92 I CA -0.360 60.877 61.300 -0.105 0.000 1.158 92 I CB 1.055 38.929 38.000 -0.209 0.000 1.315 92 I HN 0.663 nan 8.210 nan 0.000 0.451 93 C N 7.731 127.065 119.300 0.056 0.000 2.376 93 C HA 0.361 4.821 4.460 0.001 0.000 0.341 93 C C 0.851 175.823 174.990 -0.029 0.000 1.106 93 C CA -0.448 58.599 59.018 0.049 0.000 1.631 93 C CB -0.970 26.853 27.740 0.139 0.000 1.649 93 C HN 0.726 nan 8.230 nan 0.000 0.456 94 E N 1.736 121.958 120.200 0.037 0.000 3.473 94 E HA 0.200 4.551 4.350 0.001 0.000 0.309 94 E C -0.009 176.573 176.600 -0.030 0.000 1.502 94 E CA 0.104 56.532 56.400 0.046 0.000 1.525 94 E CB 0.369 30.120 29.700 0.086 0.000 1.183 94 E HN 0.752 nan 8.360 nan 0.000 0.757 108 R N 0.881 121.413 120.500 0.054 0.000 2.771 108 R HA 0.611 4.952 4.340 0.001 0.000 0.274 108 R C -1.206 175.137 176.300 0.072 0.000 0.987 108 R CA -0.779 55.348 56.100 0.045 0.000 0.908 108 R CB 2.429 32.743 30.300 0.023 0.000 1.213 108 R HN 0.071 nan 8.270 nan 0.000 0.468 109 K N -1.288 119.150 120.400 0.063 0.000 2.607 109 K HA 0.281 4.602 4.320 0.001 0.000 0.287 109 K C -1.264 175.385 176.600 0.081 0.000 0.996 109 K CA -0.944 55.394 56.287 0.084 0.000 0.876 109 K CB 1.444 33.985 32.500 0.068 0.000 1.496 109 K HN 0.202 nan 8.250 nan 0.000 0.415 110 V N 2.956 122.935 119.914 0.108 0.000 2.420 110 V HA -0.024 4.097 4.120 0.001 0.000 0.274 110 V C 0.642 176.764 176.094 0.045 0.000 1.003 110 V CA 0.087 62.441 62.300 0.090 0.000 1.092 110 V CB 0.610 32.520 31.823 0.146 0.000 1.002 110 V HN 0.676 nan 8.190 nan 0.000 0.473 111 V N 5.223 125.148 119.914 0.018 0.000 3.565 111 V HA 0.249 4.370 4.120 0.001 0.000 0.260 111 V C 0.816 176.896 176.094 -0.023 0.000 1.231 111 V CA 0.558 62.862 62.300 0.007 0.000 1.100 111 V CB 0.062 31.898 31.823 0.021 0.000 0.807 111 V HN 0.836 nan 8.190 nan 0.000 0.454 112 R N 0.185 120.652 120.500 -0.054 0.000 2.566 112 R HA 0.595 4.936 4.340 0.001 0.000 0.271 112 R C -2.119 174.095 176.300 -0.144 0.000 1.071 112 R CA -0.505 55.541 56.100 -0.091 0.000 0.915 112 R CB 1.969 32.218 30.300 -0.086 0.000 1.228 112 R HN 0.206 nan 8.270 nan 0.000 0.449 113 I N 4.934 125.408 120.570 -0.160 0.000 2.499 113 I HA 0.322 4.493 4.170 0.001 0.000 0.288 113 I C -0.398 175.613 176.117 -0.177 0.000 1.048 113 I CA -1.123 60.056 61.300 -0.201 0.000 1.062 113 I CB 2.246 40.099 38.000 -0.246 0.000 1.238 113 I HN 0.391 nan 8.210 nan 0.000 0.426 114 V N 2.279 122.082 119.914 -0.185 0.000 2.459 114 V HA 0.815 4.935 4.120 0.001 0.000 0.295 114 V C -0.017 176.002 176.094 -0.125 0.000 1.029 114 V CA -0.260 61.950 62.300 -0.150 0.000 0.874 114 V CB 1.401 33.132 31.823 -0.155 0.000 0.985 114 V HN 0.825 nan 8.190 nan 0.000 0.438 115 T N 1.809 116.312 114.554 -0.085 0.000 2.918 115 T HA 0.654 5.005 4.350 0.001 0.000 0.286 115 T C -1.992 172.698 174.700 -0.017 0.000 1.026 115 T CA -2.054 60.030 62.100 -0.028 0.000 1.031 115 T CB 2.047 70.941 68.868 0.044 0.000 1.046 115 T HN 0.456 nan 8.240 nan 0.000 0.479 116 P HA 0.078 nan 4.420 nan 0.000 0.216 116 P C 1.418 178.716 177.300 -0.002 0.000 1.150 116 P CA 1.046 64.140 63.100 -0.009 0.000 0.837 116 P CB -0.162 31.537 31.700 -0.002 0.000 0.786 117 G N -1.821 106.991 108.800 0.020 0.000 3.042 117 G HA2 0.016 3.976 3.960 0.001 0.000 0.212 117 G HA3 0.016 3.976 3.960 0.001 0.000 0.212 117 G C 0.735 175.639 174.900 0.007 0.000 1.166 117 G CA 0.696 45.805 45.100 0.015 0.000 0.767 117 G HN 0.374 nan 8.290 nan 0.000 0.546 118 T N -1.437 113.116 114.554 -0.002 0.000 3.275 118 T HA 0.362 4.713 4.350 0.001 0.000 0.298 118 T C 0.733 175.406 174.700 -0.045 0.000 0.988 118 T CA -0.559 61.524 62.100 -0.028 0.000 0.936 118 T CB -0.477 68.364 68.868 -0.046 0.000 1.159 118 T HN 0.230 nan 8.240 nan 0.000 0.519 119 I N 0.816 121.361 120.570 -0.042 0.000 2.720 119 I HA 0.614 4.784 4.170 0.001 0.000 0.287 119 I C 0.983 177.073 176.117 -0.045 0.000 1.090 119 I CA -0.603 60.666 61.300 -0.050 0.000 1.384 119 I CB 1.152 39.121 38.000 -0.051 0.000 1.420 119 I HN 0.208 nan 8.210 nan 0.000 0.575 120 S N 0.322 115.991 115.700 -0.051 0.000 2.744 120 S HA 0.183 4.654 4.470 0.001 0.000 0.265 120 S C 0.040 174.607 174.600 -0.055 0.000 1.065 120 S CA -0.568 57.600 58.200 -0.053 0.000 1.191 120 S CB -0.085 63.075 63.200 -0.065 0.000 1.150 120 S HN 0.691 nan 8.310 nan 0.000 0.646 121 D N 2.855 123.224 120.400 -0.052 0.000 2.382 121 D HA 0.140 4.781 4.640 0.001 0.000 0.245 121 D C 1.107 177.381 176.300 -0.044 0.000 1.120 121 D CA 0.071 54.043 54.000 -0.047 0.000 0.890 121 D CB 1.101 41.873 40.800 -0.046 0.000 1.201 121 D HN 0.470 nan 8.370 nan 0.000 0.433 122 E N 2.056 122.231 120.200 -0.041 0.000 2.085 122 E HA -0.240 4.110 4.350 0.001 0.000 0.194 122 E C 1.576 178.153 176.600 -0.039 0.000 0.994 122 E CA 1.218 57.595 56.400 -0.039 0.000 0.801 122 E CB 0.079 29.757 29.700 -0.037 0.000 0.743 122 E HN 0.497 nan 8.360 nan 0.000 0.453 123 A N 0.707 123.503 122.820 -0.040 0.000 2.070 123 A HA -0.091 4.230 4.320 0.001 0.000 0.220 123 A C 2.011 179.567 177.584 -0.046 0.000 1.159 123 A CA 0.987 52.999 52.037 -0.043 0.000 0.656 123 A CB -0.291 18.683 19.000 -0.044 0.000 0.800 123 A HN 0.357 nan 8.150 nan 0.000 0.453 124 L N -1.401 119.795 121.223 -0.046 0.000 2.616 124 L HA 0.313 4.654 4.340 0.001 0.000 0.229 124 L C 0.076 176.922 176.870 -0.041 0.000 1.110 124 L CA -0.153 54.658 54.840 -0.048 0.000 0.884 124 L CB 0.012 42.039 42.059 -0.054 0.000 1.115 124 L HN 0.219 nan 8.230 nan 0.000 0.481 125 L N -0.660 120.541 121.223 -0.038 0.000 2.313 125 L HA 0.396 4.737 4.340 0.001 0.000 0.268 125 L C -0.321 176.532 176.870 -0.029 0.000 1.010 125 L CA -0.563 54.258 54.840 -0.032 0.000 0.814 125 L CB 1.695 43.736 42.059 -0.031 0.000 1.304 125 L HN -0.033 nan 8.230 nan 0.000 0.441 126 Q N 0.482 120.267 119.800 -0.024 0.000 2.290 126 Q HA 0.174 4.515 4.340 0.001 0.000 0.259 126 Q C 0.305 176.293 176.000 -0.021 0.000 0.941 126 Q CA -0.404 55.386 55.803 -0.022 0.000 0.912 126 Q CB 2.105 30.833 28.738 -0.017 0.000 1.244 126 Q HN 0.477 nan 8.270 nan 0.000 0.441 127 E N 1.888 122.074 120.200 -0.022 0.000 2.108 127 E HA -0.257 4.094 4.350 0.001 0.000 0.203 127 E C 0.416 177.003 176.600 -0.021 0.000 1.022 127 E CA 1.379 57.765 56.400 -0.023 0.000 0.823 127 E CB 0.197 29.883 29.700 -0.024 0.000 0.744 127 E HN 0.398 nan 8.360 nan 0.000 0.456 128 R N 0.180 120.670 120.500 -0.017 0.000 2.696 128 R HA 0.220 4.560 4.340 0.001 0.000 0.355 128 R C -0.236 176.060 176.300 -0.007 0.000 1.138 128 R CA 0.003 56.095 56.100 -0.014 0.000 1.059 128 R CB 0.695 30.986 30.300 -0.014 0.000 1.380 128 R HN 0.116 nan 8.270 nan 0.000 0.578 129 Q N 0.562 120.358 119.800 -0.007 0.000 2.285 129 Q HA 0.208 4.549 4.340 0.001 0.000 0.269 129 Q C -1.325 174.673 176.000 -0.004 0.000 1.030 129 Q CA -0.861 54.941 55.803 -0.001 0.000 0.788 129 Q CB 2.522 31.259 28.738 -0.001 0.000 1.266 129 Q HN 0.020 nan 8.270 nan 0.000 0.438 130 D N 1.559 121.960 120.400 0.001 0.000 2.400 130 D HA 0.048 4.689 4.640 0.001 0.000 0.238 130 D C -0.458 175.840 176.300 -0.003 0.000 1.157 130 D CA 0.602 54.603 54.000 0.001 0.000 0.889 130 D CB 0.626 41.431 40.800 0.010 0.000 1.199 130 D HN 0.341 nan 8.370 nan 0.000 0.436 131 N N 1.303 119.999 118.700 -0.006 0.000 2.540 131 N HA 0.323 5.064 4.740 0.001 0.000 0.275 131 N C -1.566 173.938 175.510 -0.010 0.000 1.053 131 N CA -0.405 52.640 53.050 -0.009 0.000 0.876 131 N CB 0.601 39.080 38.487 -0.013 0.000 1.284 131 N HN 0.197 nan 8.380 nan 0.000 0.518 132 L N 2.235 123.453 121.223 -0.007 0.000 2.334 132 L HA 0.570 4.911 4.340 0.001 0.000 0.276 132 L C -0.538 176.321 176.870 -0.018 0.000 1.014 132 L CA -1.308 53.525 54.840 -0.013 0.000 0.815 132 L CB 1.657 43.715 42.059 -0.002 0.000 1.268 132 L HN 0.360 nan 8.230 nan 0.000 0.428 133 L N 2.946 124.149 121.223 -0.035 0.000 2.326 133 L HA 0.774 5.115 4.340 0.001 0.000 0.278 133 L C -0.175 176.654 176.870 -0.068 0.000 1.092 133 L CA 0.220 55.036 54.840 -0.040 0.000 0.810 133 L CB 1.197 43.235 42.059 -0.035 0.000 1.153 133 L HN 0.719 nan 8.230 nan 0.000 0.439 134 A N 4.080 126.857 122.820 -0.071 0.000 2.454 134 A HA 0.971 5.291 4.320 0.001 0.000 0.302 134 A C -1.215 176.318 177.584 -0.085 0.000 1.079 134 A CA -0.171 51.786 52.037 -0.132 0.000 0.731 134 A CB 1.528 20.473 19.000 -0.091 0.000 1.299 134 A HN 1.158 nan 8.150 nan 0.000 0.413 135 A N 0.951 123.712 122.820 -0.098 0.000 2.386 135 A HA 0.784 5.104 4.320 0.001 0.000 0.311 135 A C -0.939 176.762 177.584 0.196 0.000 1.068 135 A CA -0.387 51.688 52.037 0.064 0.000 0.743 135 A CB 0.904 19.950 19.000 0.077 0.000 1.258 135 A HN 1.316 nan 8.150 nan 0.000 0.429 136 I N 1.398 122.132 120.570 0.273 0.000 2.533 136 I HA 0.690 4.861 4.170 0.001 0.000 0.290 136 I C -1.907 174.339 176.117 0.214 0.000 1.056 136 I CA -0.612 60.869 61.300 0.302 0.000 1.057 136 I CB 1.445 39.516 38.000 0.118 0.000 1.240 136 I HN 0.818 nan 8.210 nan 0.000 0.423 137 W N 7.755 129.135 121.300 0.133 0.000 3.032 137 W HA 0.487 5.148 4.660 0.001 0.000 0.335 137 W C -1.675 174.991 176.519 0.246 0.000 1.154 137 W CA -0.563 56.795 57.345 0.021 0.000 1.204 137 W CB 1.570 31.024 29.460 -0.011 0.000 1.416 137 W HN 0.441 nan 8.180 nan 0.000 0.521 138 Q N 4.215 123.762 119.800 -0.421 0.000 2.309 138 Q HA 0.255 4.596 4.340 0.001 0.000 0.270 138 Q C -1.120 174.234 176.000 -1.076 0.000 1.023 138 Q CA -0.526 54.874 55.803 -0.672 0.000 0.758 138 Q CB 1.625 30.095 28.738 -0.445 0.000 1.247 138 Q HN 0.429 nan 8.270 nan 0.000 0.455 139 D N 0.646 120.410 120.400 -1.060 0.000 2.387 139 D HA 0.093 4.734 4.640 0.001 0.000 0.251 139 D C 0.417 176.410 176.300 -0.512 0.000 1.141 139 D CA -0.003 53.507 54.000 -0.816 0.000 0.987 139 D CB 1.283 41.706 40.800 -0.628 0.000 1.116 139 D HN 0.570 nan 8.370 nan 0.000 0.491 140 S N 0.154 115.656 115.700 -0.330 0.000 2.942 140 S HA 0.052 4.523 4.470 0.001 0.000 0.244 140 S C 0.812 175.283 174.600 -0.215 0.000 1.011 140 S CA 0.236 58.293 58.200 -0.239 0.000 1.102 140 S CB -0.040 63.072 63.200 -0.148 0.000 0.812 140 S HN 0.485 nan 8.310 nan 0.000 0.486 141 K N -0.279 119.958 120.400 -0.272 0.000 2.868 141 K HA 0.423 4.744 4.320 0.001 0.000 0.217 141 K C 0.731 177.197 176.600 -0.224 0.000 1.712 141 K CA 0.540 56.708 56.287 -0.199 0.000 1.134 141 K CB 0.331 32.743 32.500 -0.147 0.000 2.040 141 K HN 0.368 nan 8.250 nan 0.000 0.487 142 G N -0.108 108.521 108.800 -0.284 0.000 2.870 142 G HA2 0.515 4.476 3.960 0.001 0.000 0.299 142 G HA3 0.515 4.476 3.960 0.001 0.000 0.299 142 G C -1.548 173.107 174.900 -0.408 0.000 1.324 142 G CA -0.776 44.173 45.100 -0.251 0.000 0.808 142 G HN 0.049 nan 8.290 nan 0.000 0.535 143 F N -0.237 119.679 119.950 -0.057 0.000 2.440 143 F HA 0.672 5.200 4.527 0.001 0.000 0.328 143 F C 0.908 176.759 175.800 0.086 0.000 1.070 143 F CA -0.093 57.903 58.000 -0.007 0.000 1.011 143 F CB 2.357 41.378 39.000 0.035 0.000 1.226 143 F HN 0.560 nan 8.300 nan 0.000 0.491 144 G N 1.011 110.063 108.800 0.420 0.000 2.590 144 G HA2 0.518 4.479 3.960 0.001 0.000 0.310 144 G HA3 0.518 4.479 3.960 0.001 0.000 0.310 144 G C -2.530 172.684 174.900 0.524 0.000 1.347 144 G CA -0.429 44.959 45.100 0.480 0.000 0.963 144 G HN 0.468 nan 8.290 nan 0.000 0.494 145 Y N 1.134 121.577 120.300 0.238 0.000 2.504 145 Y HA 0.722 5.272 4.550 0.001 0.000 0.344 145 Y C -0.573 175.411 175.900 0.140 0.000 1.023 145 Y CA -0.936 57.268 58.100 0.174 0.000 1.020 145 Y CB 2.363 40.892 38.460 0.114 0.000 1.282 145 Y HN 0.943 nan 8.280 nan 0.000 0.454 146 A N 2.702 125.271 122.820 -0.418 0.000 2.549 146 A HA 0.803 5.124 4.320 0.001 0.000 0.297 146 A C -1.090 176.239 177.584 -0.425 0.000 1.061 146 A CA -0.221 51.651 52.037 -0.276 0.000 0.690 146 A CB 1.371 20.367 19.000 -0.007 0.000 1.287 146 A HN 0.938 nan 8.150 nan 0.000 0.402 147 T N -0.907 113.543 114.554 -0.173 0.000 2.909 147 T HA 0.716 5.066 4.350 0.001 0.000 0.299 147 T C -1.178 173.558 174.700 0.059 0.000 1.073 147 T CA -0.621 61.410 62.100 -0.114 0.000 0.999 147 T CB 1.431 70.235 68.868 -0.106 0.000 1.098 147 T HN 1.656 nan 8.240 nan 0.000 0.477 148 L N 1.651 122.850 121.223 -0.039 0.000 2.436 148 L HA 0.634 4.975 4.340 0.001 0.000 0.268 148 L C -1.429 175.391 176.870 -0.084 0.000 0.974 148 L CA -0.405 54.366 54.840 -0.116 0.000 0.826 148 L CB 2.110 43.940 42.059 -0.380 0.000 1.291 148 L HN 0.863 nan 8.230 nan 0.000 0.406 149 D N 4.588 124.956 120.400 -0.053 0.000 2.380 149 D HA 0.125 4.765 4.640 0.001 0.000 0.230 149 D C 1.049 177.322 176.300 -0.045 0.000 1.154 149 D CA 0.105 54.086 54.000 -0.031 0.000 0.859 149 D CB 0.901 41.703 40.800 0.002 0.000 1.045 149 D HN 0.743 nan 8.370 nan 0.000 0.495 150 I N 2.716 123.262 120.570 -0.040 0.000 2.756 150 I HA -0.207 3.964 4.170 0.001 0.000 0.262 150 I C 1.534 177.725 176.117 0.123 0.000 1.225 150 I CA 0.600 61.894 61.300 -0.010 0.000 1.472 150 I CB 0.375 38.361 38.000 -0.023 0.000 1.094 150 I HN 0.247 nan 8.210 nan 0.000 0.454 151 S N -0.175 115.564 115.700 0.064 0.000 2.371 151 S HA -0.101 4.370 4.470 0.001 0.000 0.221 151 S C 1.974 176.644 174.600 0.117 0.000 1.036 151 S CA 1.296 59.531 58.200 0.059 0.000 0.965 151 S CB -0.047 63.153 63.200 -0.001 0.000 0.845 151 S HN 0.641 nan 8.310 nan 0.000 0.475 152 S N 0.442 116.193 115.700 0.084 0.000 2.478 152 S HA 0.322 4.793 4.470 0.001 0.000 0.222 152 S C 1.645 176.303 174.600 0.097 0.000 1.008 152 S CA 0.779 59.029 58.200 0.084 0.000 0.928 152 S CB -0.171 63.058 63.200 0.047 0.000 0.781 152 S HN 0.788 nan 8.310 nan 0.000 0.518 153 G N 1.645 110.467 108.800 0.037 0.000 2.159 153 G HA2 -0.326 3.634 3.960 0.001 0.000 0.256 153 G HA3 -0.326 3.634 3.960 0.001 0.000 0.256 153 G C 0.113 174.994 174.900 -0.032 0.000 0.977 153 G CA 0.163 45.192 45.100 -0.118 0.000 0.652 153 G HN 0.741 nan 8.290 nan 0.000 0.531 154 R N -0.019 120.492 120.500 0.018 0.000 2.404 154 R HA 0.433 4.774 4.340 0.001 0.000 0.315 154 R C -0.957 175.415 176.300 0.121 0.000 1.032 154 R CA -0.292 55.847 56.100 0.066 0.000 0.992 154 R CB -0.121 30.217 30.300 0.063 0.000 0.959 154 R HN 0.076 nan 8.270 nan 0.000 0.428 155 F N 5.465 125.386 119.950 -0.049 0.000 2.499 155 F HA 0.494 5.022 4.527 0.001 0.000 0.333 155 F C -1.002 174.768 175.800 -0.051 0.000 1.138 155 F CA -1.213 56.755 58.000 -0.053 0.000 0.945 155 F CB 1.153 40.127 39.000 -0.043 0.000 1.181 155 F HN 0.482 nan 8.300 nan 0.000 0.435 156 R N 5.501 126.114 120.500 0.187 0.000 2.750 156 R HA 0.640 4.981 4.340 0.001 0.000 0.281 156 R C -1.610 174.653 176.300 -0.063 0.000 0.972 156 R CA -0.999 55.106 56.100 0.008 0.000 0.912 156 R CB 2.729 33.058 30.300 0.049 0.000 1.187 156 R HN 0.832 nan 8.270 nan 0.000 0.464 157 L N 0.560 121.737 121.223 -0.078 0.000 2.401 157 L HA 0.685 5.026 4.340 0.001 0.000 0.266 157 L C -0.820 176.073 176.870 0.039 0.000 0.991 157 L CA -0.243 54.567 54.840 -0.049 0.000 0.818 157 L CB 2.047 44.038 42.059 -0.113 0.000 1.321 157 L HN 0.895 nan 8.230 nan 0.000 0.413 158 S N 1.857 117.625 115.700 0.113 0.000 2.596 158 S HA 0.539 5.010 4.470 0.001 0.000 0.270 158 S C -1.111 173.597 174.600 0.181 0.000 1.155 158 S CA -0.859 57.425 58.200 0.140 0.000 0.827 158 S CB 1.948 65.247 63.200 0.165 0.000 1.130 158 S HN 0.722 nan 8.310 nan 0.000 0.467 159 E N 1.162 121.451 120.200 0.149 0.000 3.651 159 E HA 0.301 4.652 4.350 0.001 0.000 0.220 159 E C -2.763 173.927 176.600 0.151 0.000 1.222 159 E CA -1.724 54.776 56.400 0.168 0.000 1.114 159 E CB 0.777 30.557 29.700 0.134 0.000 1.278 159 E HN 0.410 nan 8.360 nan 0.000 0.412 160 P HA -0.102 nan 4.420 nan 0.000 0.263 160 P C 0.387 177.791 177.300 0.174 0.000 1.175 160 P CA 0.320 63.485 63.100 0.107 0.000 0.761 160 P CB 0.988 32.695 31.700 0.012 0.000 0.794 161 A N 3.079 125.969 122.820 0.116 0.000 1.975 161 A HA 0.038 4.358 4.320 0.001 0.000 0.215 161 A C 0.609 178.282 177.584 0.148 0.000 1.170 161 A CA 1.392 53.495 52.037 0.109 0.000 0.656 161 A CB -0.552 18.484 19.000 0.060 0.000 0.821 161 A HN 0.682 nan 8.150 nan 0.000 0.449 162 D N -3.928 116.560 120.400 0.146 0.000 2.636 162 D HA 0.387 5.028 4.640 0.001 0.000 0.275 162 D C 0.677 177.037 176.300 0.100 0.000 1.130 162 D CA -0.776 53.310 54.000 0.144 0.000 1.031 162 D CB 0.640 41.475 40.800 0.058 0.000 1.451 162 D HN -0.080 nan 8.370 nan 0.000 0.505 163 R N -0.386 120.163 120.500 0.082 0.000 2.070 163 R HA -0.157 4.184 4.340 0.001 0.000 0.233 163 R C 1.389 177.605 176.300 -0.139 0.000 1.137 163 R CA 1.708 57.773 56.100 -0.058 0.000 0.945 163 R CB -0.154 30.144 30.300 -0.002 0.000 0.845 163 R HN 0.561 nan 8.270 nan 0.000 0.430 164 E N -0.588 119.570 120.200 -0.069 0.000 2.058 164 E HA -0.163 4.187 4.350 0.001 0.000 0.194 164 E C 1.963 178.508 176.600 -0.092 0.000 0.997 164 E CA 2.207 58.569 56.400 -0.063 0.000 0.801 164 E CB -0.258 29.435 29.700 -0.012 0.000 0.746 164 E HN 0.303 nan 8.360 nan 0.000 0.450 165 T N 0.441 114.948 114.554 -0.079 0.000 2.720 165 T HA -0.213 4.137 4.350 0.001 0.000 0.268 165 T C 1.774 176.373 174.700 -0.168 0.000 1.037 165 T CA 1.587 63.633 62.100 -0.090 0.000 1.144 165 T CB -0.232 68.610 68.868 -0.045 0.000 0.864 165 T HN 0.097 nan 8.240 nan 0.000 0.444 166 M N 1.561 121.000 119.600 -0.268 0.000 2.132 166 M HA 0.115 4.596 4.480 0.001 0.000 0.263 166 M C 2.294 178.365 176.300 -0.381 0.000 1.065 166 M CA 1.474 56.508 55.300 -0.443 0.000 1.122 166 M CB -0.696 31.380 32.600 -0.874 0.000 1.365 166 M HN 0.186 nan 8.290 nan 0.000 0.411 167 A N -0.112 122.538 122.820 -0.284 0.000 1.902 167 A HA 0.014 4.335 4.320 0.001 0.000 0.217 167 A C 2.389 179.875 177.584 -0.164 0.000 1.181 167 A CA 2.126 54.042 52.037 -0.202 0.000 0.623 167 A CB -1.490 17.427 19.000 -0.139 0.000 0.818 167 A HN 0.650 nan 8.150 nan 0.000 0.443 168 A N -0.518 122.217 122.820 -0.140 0.000 1.883 168 A HA -0.184 4.136 4.320 0.001 0.000 0.217 168 A C 1.965 179.477 177.584 -0.121 0.000 1.186 168 A CA 1.775 53.748 52.037 -0.106 0.000 0.624 168 A CB -0.533 18.415 19.000 -0.088 0.000 0.822 168 A HN 0.454 nan 8.150 nan 0.000 0.444 169 E N -0.091 120.008 120.200 -0.169 0.000 2.097 169 E HA -0.202 4.148 4.350 0.001 0.000 0.196 169 E C 2.046 178.523 176.600 -0.206 0.000 1.000 169 E CA 1.265 57.554 56.400 -0.186 0.000 0.804 169 E CB -0.445 29.078 29.700 -0.295 0.000 0.740 169 E HN 0.675 nan 8.360 nan 0.000 0.454 170 L N 0.525 121.579 121.223 -0.282 0.000 2.017 170 L HA -0.243 4.098 4.340 0.001 0.000 0.208 170 L C 2.775 179.590 176.870 -0.092 0.000 1.073 170 L CA 1.358 56.083 54.840 -0.193 0.000 0.745 170 L CB -0.414 41.524 42.059 -0.201 0.000 0.894 170 L HN 0.120 nan 8.230 nan 0.000 0.432 171 Q N 0.564 120.307 119.800 -0.095 0.000 2.030 171 Q HA -0.272 4.069 4.340 0.001 0.000 0.204 171 Q C 2.264 178.214 176.000 -0.082 0.000 0.986 171 Q CA 1.960 57.721 55.803 -0.069 0.000 0.843 171 Q CB -0.255 28.450 28.738 -0.056 0.000 0.904 171 Q HN 0.254 nan 8.270 nan 0.000 0.420 172 R N -0.727 119.723 120.500 -0.083 0.000 2.070 172 R HA -0.127 4.213 4.340 0.001 0.000 0.233 172 R C 2.212 178.434 176.300 -0.131 0.000 1.137 172 R CA 2.138 58.163 56.100 -0.125 0.000 0.945 172 R CB -0.525 29.746 30.300 -0.047 0.000 0.845 172 R HN 0.602 nan 8.270 nan 0.000 0.430 173 T N -1.902 112.635 114.554 -0.029 0.000 3.014 173 T HA -0.076 4.275 4.350 0.001 0.000 0.263 173 T C 0.809 175.515 174.700 0.010 0.000 1.078 173 T CA 0.618 62.735 62.100 0.028 0.000 1.135 173 T CB -0.352 68.615 68.868 0.165 0.000 0.895 173 T HN 0.436 nan 8.240 nan 0.000 0.480 174 N N 2.306 121.005 118.700 -0.002 0.000 2.686 174 N HA -0.092 4.649 4.740 0.001 0.000 0.261 174 N C -2.730 172.789 175.510 0.014 0.000 1.001 174 N CA 0.226 53.271 53.050 -0.008 0.000 0.764 174 N CB -1.019 37.445 38.487 -0.038 0.000 0.898 174 N HN 0.368 nan 8.380 nan 0.000 0.544 175 P HA 0.111 nan 4.420 nan 0.000 0.266 175 P C 0.390 177.700 177.300 0.017 0.000 1.195 175 P CA 0.282 63.405 63.100 0.038 0.000 0.768 175 P CB 0.603 32.345 31.700 0.069 0.000 0.838 176 A N 2.321 125.145 122.820 0.007 0.000 2.119 176 A HA -0.037 4.283 4.320 0.001 0.000 0.216 176 A C 0.808 178.393 177.584 0.003 0.000 1.152 176 A CA 1.066 53.104 52.037 0.002 0.000 0.708 176 A CB -0.422 18.577 19.000 -0.003 0.000 0.805 176 A HN 0.659 nan 8.150 nan 0.000 0.460 177 E N -1.102 119.098 120.200 0.000 0.000 2.321 177 E HA 0.515 4.866 4.350 0.001 0.000 0.278 177 E C -2.230 174.355 176.600 -0.024 0.000 0.902 177 E CA -0.667 55.727 56.400 -0.010 0.000 0.758 177 E CB 1.541 31.237 29.700 -0.007 0.000 1.213 177 E HN 0.119 nan 8.360 nan 0.000 0.426 178 L N 5.623 126.833 121.223 -0.021 0.000 2.406 178 L HA 0.457 4.798 4.340 0.001 0.000 0.270 178 L C -1.813 175.063 176.870 0.010 0.000 0.982 178 L CA -0.354 54.490 54.840 0.007 0.000 0.843 178 L CB 1.264 43.349 42.059 0.044 0.000 1.225 178 L HN 0.564 nan 8.230 nan 0.000 0.412 179 L N 5.979 127.169 121.223 -0.055 0.000 2.326 179 L HA 0.483 4.823 4.340 0.001 0.000 0.278 179 L C -0.840 176.107 176.870 0.128 0.000 1.092 179 L CA -0.487 54.309 54.840 -0.073 0.000 0.810 179 L CB 0.661 42.595 42.059 -0.208 0.000 1.153 179 L HN 0.675 nan 8.230 nan 0.000 0.439 180 Y N 1.444 121.726 120.300 -0.031 0.000 2.534 180 Y HA 0.810 5.361 4.550 0.001 0.000 0.345 180 Y C -0.310 175.558 175.900 -0.054 0.000 1.031 180 Y CA -1.586 56.436 58.100 -0.130 0.000 1.022 180 Y CB 0.977 39.218 38.460 -0.365 0.000 1.292 180 Y HN 0.610 nan 8.280 nan 0.000 0.459 181 A N 2.485 125.178 122.820 -0.213 0.000 2.445 181 A HA 0.213 4.533 4.320 0.001 0.000 0.242 181 A C 1.083 178.681 177.584 0.024 0.000 1.075 181 A CA 0.073 51.985 52.037 -0.208 0.000 0.777 181 A CB 0.036 18.804 19.000 -0.386 0.000 1.013 181 A HN 1.007 nan 8.150 nan 0.000 0.493 182 E N 1.102 121.304 120.200 0.003 0.000 2.150 182 E HA -0.210 4.141 4.350 0.001 0.000 0.193 182 E C 0.304 176.998 176.600 0.157 0.000 0.985 182 E CA 1.246 57.679 56.400 0.056 0.000 0.814 182 E CB -0.217 29.500 29.700 0.028 0.000 0.752 182 E HN 0.748 nan 8.360 nan 0.000 0.466 183 D N 0.613 121.103 120.400 0.150 0.000 2.325 183 D HA -0.079 4.562 4.640 0.001 0.000 0.234 183 D C -0.166 176.228 176.300 0.157 0.000 1.122 183 D CA -0.574 53.505 54.000 0.131 0.000 0.850 183 D CB -0.649 40.210 40.800 0.097 0.000 0.921 183 D HN 0.065 nan 8.370 nan 0.000 0.513 184 F N 1.554 121.552 119.950 0.080 0.000 2.590 184 F HA 0.289 4.816 4.527 0.001 0.000 0.389 184 F C 1.385 177.206 175.800 0.035 0.000 1.049 184 F CA -0.349 57.692 58.000 0.069 0.000 1.199 184 F CB 1.010 40.120 39.000 0.184 0.000 1.058 184 F HN 0.047 nan 8.300 nan 0.000 0.556 185 A N 4.494 127.008 122.820 -0.510 0.000 1.943 185 A HA 0.039 4.360 4.320 0.001 0.000 0.213 185 A C 1.319 178.641 177.584 -0.437 0.000 1.181 185 A CA 0.512 52.324 52.037 -0.375 0.000 0.653 185 A CB -0.217 18.598 19.000 -0.308 0.000 0.833 185 A HN 0.620 nan 8.150 nan 0.000 0.451 186 E N 0.800 120.527 120.200 -0.787 0.000 2.422 186 E HA 0.112 4.463 4.350 0.001 0.000 0.267 186 E C 0.665 177.128 176.600 -0.230 0.000 1.466 186 E CA -0.225 55.915 56.400 -0.434 0.000 1.767 186 E CB 0.013 29.554 29.700 -0.264 0.000 1.471 186 E HN 0.423 nan 8.360 nan 0.000 0.446 187 M N -0.117 119.409 119.600 -0.123 0.000 2.337 187 M HA -0.173 4.308 4.480 0.001 0.000 0.261 187 M C 1.916 178.224 176.300 0.014 0.000 1.067 187 M CA 1.205 56.528 55.300 0.039 0.000 1.074 187 M CB -1.201 31.411 32.600 0.020 0.000 1.395 187 M HN 0.091 nan 8.290 nan 0.000 0.431 188 S N -0.132 115.558 115.700 -0.017 0.000 2.447 188 S HA -0.054 4.417 4.470 0.001 0.000 0.233 188 S C 1.979 176.568 174.600 -0.018 0.000 1.006 188 S CA 0.715 58.903 58.200 -0.020 0.000 0.957 188 S CB -0.717 62.467 63.200 -0.028 0.000 0.773 188 S HN 0.490 nan 8.310 nan 0.000 0.507 189 L N 0.965 122.189 121.223 0.003 0.000 2.093 189 L HA 0.064 4.404 4.340 0.001 0.000 0.208 189 L C 2.440 179.295 176.870 -0.026 0.000 1.085 189 L CA 1.525 56.355 54.840 -0.015 0.000 0.755 189 L CB -0.418 41.640 42.059 -0.002 0.000 0.904 189 L HN 0.519 nan 8.230 nan 0.000 0.435 190 I N -3.911 116.653 120.570 -0.010 0.000 4.312 190 I HA 0.026 4.197 4.170 0.001 0.000 0.324 190 I C 2.109 178.164 176.117 -0.103 0.000 1.298 190 I CA 0.101 61.349 61.300 -0.086 0.000 1.231 190 I CB -0.195 37.691 38.000 -0.190 0.000 1.152 190 I HN 0.156 nan 8.210 nan 0.000 0.421 191 E N 2.629 122.781 120.200 -0.081 0.000 2.171 191 E HA -0.171 4.180 4.350 0.001 0.000 0.197 191 E C 2.053 178.629 176.600 -0.041 0.000 0.997 191 E CA 1.678 58.035 56.400 -0.072 0.000 0.810 191 E CB -0.706 28.970 29.700 -0.040 0.000 0.738 191 E HN 0.549 nan 8.360 nan 0.000 0.467 192 G N 0.968 109.750 108.800 -0.032 0.000 2.744 192 G HA2 -0.089 3.871 3.960 0.001 0.000 0.211 192 G HA3 -0.089 3.871 3.960 0.001 0.000 0.211 192 G C 0.654 175.545 174.900 -0.016 0.000 1.143 192 G CA -0.385 44.705 45.100 -0.018 0.000 0.788 192 G HN 0.016 nan 8.290 nan 0.000 0.534 193 R N 0.503 120.987 120.500 -0.026 0.000 2.582 193 R HA 0.318 4.659 4.340 0.001 0.000 0.271 193 R C 0.617 176.915 176.300 -0.004 0.000 1.078 193 R CA -0.573 55.517 56.100 -0.018 0.000 1.127 193 R CB 0.689 30.973 30.300 -0.027 0.000 1.038 193 R HN 0.341 nan 8.270 nan 0.000 0.500 194 R N -0.139 120.363 120.500 0.002 0.000 2.615 194 R HA 0.256 4.597 4.340 0.001 0.000 0.270 194 R C 0.359 176.667 176.300 0.014 0.000 1.081 194 R CA 0.255 56.362 56.100 0.010 0.000 1.154 194 R CB 0.375 30.681 30.300 0.009 0.000 1.063 194 R HN 0.767 nan 8.270 nan 0.000 0.519 195 G N 1.642 110.454 108.800 0.020 0.000 2.249 195 G HA2 -0.264 3.696 3.960 0.001 0.000 0.273 195 G HA3 -0.264 3.696 3.960 0.001 0.000 0.273 195 G C 0.007 174.924 174.900 0.028 0.000 1.036 195 G CA 0.194 45.305 45.100 0.019 0.000 0.824 195 G HN 0.490 nan 8.290 nan 0.000 0.504 196 L N 0.091 121.348 121.223 0.057 0.000 2.455 196 L HA 0.393 4.734 4.340 0.001 0.000 0.272 196 L C 0.690 177.636 176.870 0.127 0.000 1.174 196 L CA -0.119 54.801 54.840 0.134 0.000 0.869 196 L CB 0.502 42.662 42.059 0.168 0.000 1.130 196 L HN 0.089 nan 8.230 nan 0.000 0.474 197 R N 3.959 124.516 120.500 0.094 0.000 2.468 197 R HA 0.302 4.643 4.340 0.001 0.000 0.302 197 R C -0.634 175.488 176.300 -0.295 0.000 1.041 197 R CA -0.670 55.376 56.100 -0.090 0.000 0.899 197 R CB 1.485 31.638 30.300 -0.245 0.000 1.167 197 R HN 0.560 nan 8.270 nan 0.000 0.483 198 R N 2.861 123.124 120.500 -0.395 0.000 2.347 198 R HA 0.228 4.569 4.340 0.001 0.000 0.304 198 R C -0.397 175.663 176.300 -0.400 0.000 1.072 198 R CA -0.195 55.448 56.100 -0.762 0.000 0.980 198 R CB 0.581 30.595 30.300 -0.477 0.000 0.986 198 R HN 0.335 nan 8.270 nan 0.000 0.448 199 R N 4.368 124.648 120.500 -0.366 0.000 2.854 199 R HA 0.457 4.798 4.340 0.001 0.000 0.271 199 R C -2.558 173.643 176.300 -0.166 0.000 0.996 199 R CA -2.701 53.270 56.100 -0.215 0.000 0.961 199 R CB 1.062 31.254 30.300 -0.181 0.000 1.182 199 R HN 0.531 nan 8.270 nan 0.000 0.479 200 P HA 0.038 nan 4.420 nan 0.000 0.269 200 P C 0.793 177.944 177.300 -0.250 0.000 1.215 200 P CA -0.415 62.509 63.100 -0.294 0.000 0.780 200 P CB 0.573 31.918 31.700 -0.592 0.000 0.898 201 L N 2.766 123.972 121.223 -0.029 0.000 2.201 201 L HA -0.048 4.293 4.340 0.001 0.000 0.212 201 L C 1.714 178.666 176.870 0.136 0.000 1.105 201 L CA 1.312 56.233 54.840 0.135 0.000 0.775 201 L CB -1.243 40.920 42.059 0.173 0.000 0.913 201 L HN 0.556 nan 8.230 nan 0.000 0.440 202 W N -0.932 120.435 121.300 0.113 0.000 2.699 202 W HA -0.048 4.613 4.660 0.001 0.000 0.249 202 W C 1.187 177.694 176.519 -0.019 0.000 1.280 202 W CA 0.394 57.767 57.345 0.047 0.000 1.345 202 W CB -0.859 28.615 29.460 0.024 0.000 1.128 202 W HN 0.293 nan 8.180 nan 0.000 0.642 203 E N 0.285 120.110 120.200 -0.625 0.000 2.478 203 E HA -0.077 4.273 4.350 0.001 0.000 0.198 203 E C 0.026 176.235 176.600 -0.652 0.000 1.046 203 E CA 0.606 56.580 56.400 -0.709 0.000 0.870 203 E CB -0.331 28.769 29.700 -1.000 0.000 0.818 203 E HN 0.231 nan 8.360 nan 0.000 0.527 204 F N 1.013 120.766 119.950 -0.329 0.000 2.963 204 F HA 0.201 4.729 4.527 0.001 0.000 0.321 204 F C 0.576 176.103 175.800 -0.455 0.000 1.234 204 F CA -0.286 57.407 58.000 -0.512 0.000 1.296 204 F CB 0.586 39.112 39.000 -0.791 0.000 0.981 204 F HN -0.201 nan 8.300 nan 0.000 0.507 205 E N 0.922 121.051 120.200 -0.119 0.000 2.191 205 E HA 0.163 4.513 4.350 0.001 0.000 0.278 205 E C 0.953 177.513 176.600 -0.067 0.000 0.972 205 E CA -0.193 56.179 56.400 -0.047 0.000 0.804 205 E CB 1.680 31.412 29.700 0.054 0.000 1.110 205 E HN 0.320 nan 8.360 nan 0.000 0.394 206 I N 4.285 124.835 120.570 -0.033 0.000 2.179 206 I HA -0.246 3.925 4.170 0.001 0.000 0.242 206 I C 1.243 177.363 176.117 0.004 0.000 1.088 206 I CA 1.673 62.967 61.300 -0.010 0.000 1.357 206 I CB -0.096 37.930 38.000 0.044 0.000 1.051 206 I HN 0.516 nan 8.210 nan 0.000 0.409 207 D N -0.231 120.179 120.400 0.017 0.000 2.117 207 D HA -0.160 4.480 4.640 0.001 0.000 0.197 207 D C 2.295 178.600 176.300 0.009 0.000 0.987 207 D CA 2.109 56.120 54.000 0.019 0.000 0.829 207 D CB -0.527 40.287 40.800 0.025 0.000 0.961 207 D HN 0.532 nan 8.370 nan 0.000 0.460 208 T N -1.314 113.244 114.554 0.006 0.000 2.896 208 T HA 0.124 4.475 4.350 0.001 0.000 0.263 208 T C 2.122 176.808 174.700 -0.023 0.000 1.050 208 T CA 1.128 63.228 62.100 -0.000 0.000 1.140 208 T CB -0.259 68.621 68.868 0.021 0.000 0.877 208 T HN 0.061 nan 8.240 nan 0.000 0.457 209 A N 2.286 125.081 122.820 -0.042 0.000 1.908 209 A HA -0.110 4.211 4.320 0.001 0.000 0.218 209 A C 2.612 180.176 177.584 -0.034 0.000 1.181 209 A CA 1.596 53.596 52.037 -0.061 0.000 0.627 209 A CB -0.693 18.255 19.000 -0.086 0.000 0.818 209 A HN 0.546 nan 8.150 nan 0.000 0.445 210 R N -1.021 119.474 120.500 -0.009 0.000 2.070 210 R HA -0.178 4.162 4.340 0.001 0.000 0.232 210 R C 2.639 178.944 176.300 0.008 0.000 1.138 210 R CA 1.656 57.765 56.100 0.015 0.000 0.936 210 R CB -0.496 29.822 30.300 0.030 0.000 0.839 210 R HN 0.810 nan 8.270 nan 0.000 0.429 211 Q N 1.136 120.937 119.800 0.002 0.000 2.062 211 Q HA -0.296 4.044 4.340 0.001 0.000 0.209 211 Q C 2.055 178.039 176.000 -0.027 0.000 0.996 211 Q CA 2.049 57.850 55.803 -0.004 0.000 0.859 211 Q CB -0.008 28.728 28.738 -0.004 0.000 0.920 211 Q HN 0.422 nan 8.270 nan 0.000 0.415 212 Q N 0.055 119.827 119.800 -0.046 0.000 2.020 212 Q HA -0.154 4.187 4.340 0.001 0.000 0.202 212 Q C 2.324 178.235 176.000 -0.147 0.000 0.982 212 Q CA 1.767 57.520 55.803 -0.083 0.000 0.838 212 Q CB -0.138 28.552 28.738 -0.081 0.000 0.899 212 Q HN 0.422 nan 8.270 nan 0.000 0.423 213 L N 0.771 121.905 121.223 -0.148 0.000 1.989 213 L HA -0.238 4.102 4.340 0.001 0.000 0.211 213 L C 2.166 178.884 176.870 -0.254 0.000 1.071 213 L CA 0.949 55.620 54.840 -0.283 0.000 0.749 213 L CB -0.605 41.402 42.059 -0.087 0.000 0.890 213 L HN 0.313 nan 8.230 nan 0.000 0.431 214 N N 0.006 118.702 118.700 -0.006 0.000 2.094 214 N HA -0.211 4.530 4.740 0.001 0.000 0.191 214 N C 1.830 177.362 175.510 0.036 0.000 1.023 214 N CA 1.345 54.454 53.050 0.097 0.000 0.857 214 N CB -0.274 38.271 38.487 0.096 0.000 1.013 214 N HN 0.143 nan 8.380 nan 0.000 0.426 215 L N 1.969 123.169 121.223 -0.038 0.000 1.976 215 L HA -0.192 4.148 4.340 0.001 0.000 0.209 215 L C 2.559 179.384 176.870 -0.074 0.000 1.071 215 L CA 1.701 56.517 54.840 -0.040 0.000 0.746 215 L CB -1.146 40.881 42.059 -0.052 0.000 0.890 215 L HN 0.107 nan 8.230 nan 0.000 0.432 216 Q N -0.891 118.786 119.800 -0.205 0.000 2.133 216 Q HA -0.254 4.086 4.340 0.001 0.000 0.208 216 Q C 1.802 177.713 176.000 -0.149 0.000 0.991 216 Q CA 2.264 57.898 55.803 -0.282 0.000 0.867 216 Q CB -0.401 28.005 28.738 -0.554 0.000 0.911 216 Q HN 0.488 nan 8.270 nan 0.000 0.417 217 F N -0.822 119.160 119.950 0.054 0.000 2.789 217 F HA 0.349 4.877 4.527 0.001 0.000 0.300 217 F C 1.529 177.409 175.800 0.133 0.000 1.132 217 F CA 0.376 58.438 58.000 0.103 0.000 1.404 217 F CB -0.334 38.776 39.000 0.182 0.000 1.114 217 F HN 0.206 nan 8.300 nan 0.000 0.584 218 G N 1.888 110.820 108.800 0.220 0.000 2.314 218 G HA2 -0.230 3.731 3.960 0.001 0.000 0.292 218 G HA3 -0.230 3.731 3.960 0.001 0.000 0.292 218 G C 0.148 175.149 174.900 0.169 0.000 1.059 218 G CA 0.523 45.714 45.100 0.152 0.000 0.982 218 G HN 0.526 nan 8.290 nan 0.000 0.505 219 T N -3.792 110.884 114.554 0.203 0.000 2.924 219 T HA 0.696 5.046 4.350 0.001 0.000 0.291 219 T C 1.069 175.836 174.700 0.111 0.000 1.045 219 T CA -0.157 62.041 62.100 0.164 0.000 1.015 219 T CB 2.314 71.326 68.868 0.241 0.000 1.103 219 T HN 0.292 nan 8.240 nan 0.000 0.496 220 R N 0.684 121.223 120.500 0.066 0.000 2.062 220 R HA 0.026 4.367 4.340 0.001 0.000 0.229 220 R C -0.133 176.201 176.300 0.057 0.000 1.128 220 R CA 1.805 57.934 56.100 0.048 0.000 0.960 220 R CB -0.173 30.141 30.300 0.024 0.000 0.855 220 R HN 0.906 nan 8.270 nan 0.000 0.432 221 D N -2.284 118.150 120.400 0.056 0.000 2.652 221 D HA 0.125 4.766 4.640 0.001 0.000 0.285 221 D C 0.012 176.369 176.300 0.096 0.000 1.173 221 D CA -0.726 53.317 54.000 0.072 0.000 0.981 221 D CB 0.467 41.290 40.800 0.039 0.000 1.440 221 D HN 0.028 nan 8.370 nan 0.000 0.485 222 L N 0.667 121.965 121.223 0.125 0.000 2.653 222 L HA 0.206 4.547 4.340 0.001 0.000 0.231 222 L C 1.565 178.463 176.870 0.046 0.000 1.153 222 L CA -0.246 54.715 54.840 0.201 0.000 0.933 222 L CB 0.098 42.322 42.059 0.275 0.000 1.175 222 L HN 0.274 nan 8.230 nan 0.000 0.473 223 V N 1.043 120.938 119.914 -0.032 0.000 2.282 223 V HA -0.277 3.843 4.120 0.001 0.000 0.249 223 V C 2.526 178.535 176.094 -0.143 0.000 1.057 223 V CA 2.371 64.633 62.300 -0.063 0.000 1.032 223 V CB -0.930 30.857 31.823 -0.060 0.000 0.645 223 V HN 0.656 nan 8.190 nan 0.000 0.447 224 G N -1.533 107.083 108.800 -0.307 0.000 2.625 224 G HA2 -0.168 3.792 3.960 0.001 0.000 0.214 224 G HA3 -0.168 3.792 3.960 0.001 0.000 0.214 224 G C 1.071 175.660 174.900 -0.519 0.000 1.132 224 G CA 0.349 45.183 45.100 -0.444 0.000 0.782 224 G HN 0.538 nan 8.290 nan 0.000 0.538 225 F N -0.191 119.700 119.950 -0.098 0.000 2.721 225 F HA 0.344 4.872 4.527 0.001 0.000 0.301 225 F C 1.914 177.656 175.800 -0.096 0.000 1.096 225 F CA -0.510 57.407 58.000 -0.138 0.000 1.308 225 F CB 0.162 39.024 39.000 -0.230 0.000 1.086 225 F HN 0.163 nan 8.300 nan 0.000 0.587 226 G N 1.099 109.927 108.800 0.048 0.000 2.176 226 G HA2 -0.231 3.730 3.960 0.001 0.000 0.252 226 G HA3 -0.231 3.730 3.960 0.001 0.000 0.252 226 G C 0.635 175.559 174.900 0.039 0.000 1.024 226 G CA 0.613 45.729 45.100 0.026 0.000 0.755 226 G HN 0.748 nan 8.290 nan 0.000 0.507 227 V N -3.462 116.489 119.914 0.061 0.000 3.337 227 V HA 0.579 4.699 4.120 0.001 0.000 0.307 227 V C 1.575 177.706 176.094 0.061 0.000 1.505 227 V CA 1.238 63.569 62.300 0.051 0.000 1.072 227 V CB 0.924 32.767 31.823 0.033 0.000 0.929 227 V HN 0.200 nan 8.190 nan 0.000 0.455 228 E N 4.043 124.279 120.200 0.060 0.000 2.209 228 E HA -0.196 4.155 4.350 0.001 0.000 0.196 228 E C 1.339 177.970 176.600 0.052 0.000 0.993 228 E CA 2.114 58.549 56.400 0.059 0.000 0.819 228 E CB -0.192 29.532 29.700 0.041 0.000 0.745 228 E HN 0.958 nan 8.360 nan 0.000 0.477 229 N N -0.647 118.080 118.700 0.046 0.000 2.401 229 N HA 0.229 4.969 4.740 0.001 0.000 0.264 229 N C -0.841 174.702 175.510 0.055 0.000 1.238 229 N CA 0.316 53.394 53.050 0.047 0.000 0.889 229 N CB 0.790 39.298 38.487 0.035 0.000 1.196 229 N HN 0.099 nan 8.380 nan 0.000 0.511 230 A N 0.724 123.583 122.820 0.064 0.000 3.215 230 A HA 0.491 4.812 4.320 0.001 0.000 0.320 230 A C -1.691 175.956 177.584 0.106 0.000 1.084 230 A CA -1.254 50.830 52.037 0.078 0.000 0.969 230 A CB 0.642 19.682 19.000 0.066 0.000 1.064 230 A HN 0.058 nan 8.150 nan 0.000 0.513 231 P HA -0.220 nan 4.420 nan 0.000 0.215 231 P C 1.627 179.081 177.300 0.257 0.000 1.157 231 P CA 1.370 64.564 63.100 0.157 0.000 0.874 231 P CB 0.098 31.895 31.700 0.161 0.000 0.790 232 R N -0.903 119.794 120.500 0.329 0.000 2.081 232 R HA -0.039 4.302 4.340 0.001 0.000 0.235 232 R C 2.599 179.170 176.300 0.452 0.000 1.131 232 R CA 1.651 58.082 56.100 0.551 0.000 0.960 232 R CB -1.598 28.888 30.300 0.311 0.000 0.856 232 R HN 0.252 nan 8.270 nan 0.000 0.436 233 G N 1.591 110.551 108.800 0.268 0.000 2.446 233 G HA2 -0.233 3.728 3.960 0.001 0.000 0.217 233 G HA3 -0.233 3.728 3.960 0.001 0.000 0.217 233 G C 1.493 176.470 174.900 0.129 0.000 1.168 233 G CA 0.516 45.731 45.100 0.193 0.000 0.771 233 G HN 0.134 nan 8.290 nan 0.000 0.551 234 L N -0.033 121.249 121.223 0.097 0.000 2.141 234 L HA -0.084 4.256 4.340 0.001 0.000 0.209 234 L C 2.998 179.863 176.870 -0.007 0.000 1.094 234 L CA 0.467 55.326 54.840 0.031 0.000 0.763 234 L CB -0.433 41.648 42.059 0.037 0.000 0.908 234 L HN 0.265 nan 8.230 nan 0.000 0.437 235 C N -0.300 118.990 119.300 -0.017 0.000 2.446 235 C HA -0.120 4.341 4.460 0.001 0.000 0.277 235 C C 3.151 178.078 174.990 -0.104 0.000 1.275 235 C CA 0.737 59.624 59.018 -0.219 0.000 1.727 235 C CB -0.955 26.319 27.740 -0.776 0.000 2.010 235 C HN 0.619 nan 8.230 nan 0.000 0.486 236 A N 0.593 123.482 122.820 0.116 0.000 1.877 236 A HA 0.039 4.360 4.320 0.001 0.000 0.216 236 A C 2.365 179.982 177.584 0.055 0.000 1.186 236 A CA 2.140 54.303 52.037 0.211 0.000 0.620 236 A CB -0.956 18.226 19.000 0.303 0.000 0.822 236 A HN 0.576 nan 8.150 nan 0.000 0.443 237 A N -0.519 122.324 122.820 0.039 0.000 1.933 237 A HA 0.149 4.469 4.320 0.001 0.000 0.218 237 A C 2.391 180.013 177.584 0.063 0.000 1.175 237 A CA 1.869 53.954 52.037 0.079 0.000 0.628 237 A CB -1.360 17.576 19.000 -0.107 0.000 0.814 237 A HN 0.720 nan 8.150 nan 0.000 0.444 238 G N -0.832 107.934 108.800 -0.057 0.000 2.459 238 G HA2 -0.351 3.610 3.960 0.001 0.000 0.217 238 G HA3 -0.351 3.610 3.960 0.001 0.000 0.217 238 G C 1.837 176.615 174.900 -0.204 0.000 1.183 238 G CA 1.347 46.376 45.100 -0.119 0.000 0.776 238 G HN 0.629 nan 8.290 nan 0.000 0.552 239 C N 0.121 119.193 119.300 -0.381 0.000 2.413 239 C HA 0.051 4.512 4.460 0.001 0.000 0.277 239 C C 2.779 177.597 174.990 -0.286 0.000 1.228 239 C CA 1.140 59.819 59.018 -0.565 0.000 1.731 239 C CB -1.172 25.824 27.740 -1.239 0.000 2.042 239 C HN 0.452 nan 8.230 nan 0.000 0.468 240 L N 0.415 121.538 121.223 -0.166 0.000 2.013 240 L HA -0.151 4.190 4.340 0.001 0.000 0.212 240 L C 2.463 179.297 176.870 -0.060 0.000 1.073 240 L CA 2.231 57.028 54.840 -0.073 0.000 0.753 240 L CB -0.580 41.475 42.059 -0.007 0.000 0.890 240 L HN 0.504 nan 8.230 nan 0.000 0.432 241 L N -0.622 120.565 121.223 -0.061 0.000 2.141 241 L HA -0.210 4.130 4.340 0.001 0.000 0.209 241 L C 2.525 179.329 176.870 -0.110 0.000 1.094 241 L CA 1.585 56.354 54.840 -0.119 0.000 0.763 241 L CB -0.648 41.374 42.059 -0.060 0.000 0.908 241 L HN 0.332 nan 8.230 nan 0.000 0.437 242 Q N -1.221 118.522 119.800 -0.094 0.000 2.046 242 Q HA -0.248 4.092 4.340 0.001 0.000 0.200 242 Q C 2.215 178.178 176.000 -0.062 0.000 0.975 242 Q CA 2.034 57.787 55.803 -0.084 0.000 0.836 242 Q CB -0.651 28.030 28.738 -0.094 0.000 0.896 242 Q HN 0.665 nan 8.270 nan 0.000 0.428 243 Y N 0.897 121.097 120.300 -0.166 0.000 2.165 243 Y HA -0.237 4.313 4.550 0.001 0.000 0.286 243 Y C 2.132 177.956 175.900 -0.126 0.000 1.155 243 Y CA 1.717 59.731 58.100 -0.144 0.000 1.164 243 Y CB -0.269 38.097 38.460 -0.155 0.000 0.978 243 Y HN 0.120 nan 8.280 nan 0.000 0.513 244 A N 0.166 122.938 122.820 -0.081 0.000 1.898 244 A HA -0.157 4.164 4.320 0.001 0.000 0.216 244 A C 2.221 179.695 177.584 -0.184 0.000 1.181 244 A CA 1.722 53.668 52.037 -0.152 0.000 0.620 244 A CB -0.524 18.388 19.000 -0.147 0.000 0.819 244 A HN 0.478 nan 8.150 nan 0.000 0.442 245 K N -0.578 119.728 120.400 -0.157 0.000 2.063 245 K HA -0.220 4.101 4.320 0.001 0.000 0.208 245 K C 1.791 178.302 176.600 -0.148 0.000 1.048 245 K CA 1.730 57.937 56.287 -0.133 0.000 0.928 245 K CB -0.245 32.189 32.500 -0.110 0.000 0.713 245 K HN 0.573 nan 8.250 nan 0.000 0.442 246 D N 0.029 120.316 120.400 -0.189 0.000 2.178 246 D HA -0.122 4.519 4.640 0.001 0.000 0.202 246 D C 1.837 177.991 176.300 -0.244 0.000 0.974 246 D CA 1.647 55.530 54.000 -0.194 0.000 0.841 246 D CB 0.096 40.776 40.800 -0.200 0.000 0.953 246 D HN 0.263 nan 8.370 nan 0.000 0.478 247 T N -2.799 111.549 114.554 -0.344 0.000 2.951 247 T HA -0.070 4.281 4.350 0.001 0.000 0.268 247 T C 1.668 176.255 174.700 -0.188 0.000 1.073 247 T CA 0.652 62.565 62.100 -0.312 0.000 1.134 247 T CB -0.016 68.627 68.868 -0.376 0.000 0.884 247 T HN 0.034 nan 8.240 nan 0.000 0.479 248 Q N 0.161 119.870 119.800 -0.153 0.000 2.349 248 Q HA 0.242 4.583 4.340 0.001 0.000 0.209 248 Q C 0.563 176.515 176.000 -0.079 0.000 0.920 248 Q CA 0.153 55.895 55.803 -0.103 0.000 0.901 248 Q CB 0.103 28.792 28.738 -0.082 0.000 1.021 248 Q HN 0.402 nan 8.270 nan 0.000 0.519 249 R N 0.486 120.937 120.500 -0.081 0.000 3.516 249 R HA -0.128 4.213 4.340 0.001 0.000 0.271 249 R C -0.218 176.056 176.300 -0.042 0.000 1.098 249 R CA 1.012 57.077 56.100 -0.058 0.000 0.732 249 R CB -2.867 27.404 30.300 -0.049 0.000 1.152 249 R HN 0.328 nan 8.270 nan 0.000 0.455 250 T N -1.103 113.425 114.554 -0.043 0.000 2.868 250 T HA 0.416 4.767 4.350 0.001 0.000 0.306 250 T C -0.225 174.458 174.700 -0.028 0.000 1.224 250 T CA 0.237 62.320 62.100 -0.029 0.000 1.012 250 T CB 1.505 70.358 68.868 -0.025 0.000 1.221 250 T HN 0.247 nan 8.240 nan 0.000 0.499 251 T N 1.831 116.375 114.554 -0.017 0.000 2.903 251 T HA 0.442 4.793 4.350 0.001 0.000 0.314 251 T C 0.234 174.940 174.700 0.010 0.000 1.078 251 T CA -0.418 61.675 62.100 -0.012 0.000 1.114 251 T CB -0.019 68.847 68.868 -0.004 0.000 0.987 251 T HN 0.449 nan 8.240 nan 0.000 0.548 252 L N 3.524 124.755 121.223 0.014 0.000 2.502 252 L HA 0.295 4.636 4.340 0.001 0.000 0.247 252 L C -1.824 175.099 176.870 0.088 0.000 1.180 252 L CA -2.051 52.838 54.840 0.082 0.000 0.956 252 L CB 1.360 43.394 42.059 -0.042 0.000 1.282 252 L HN 0.509 nan 8.230 nan 0.000 0.470 253 P HA -0.134 nan 4.420 nan 0.000 0.225 253 P C 1.214 178.596 177.300 0.137 0.000 1.156 253 P CA 1.034 64.198 63.100 0.108 0.000 0.787 253 P CB -0.070 31.672 31.700 0.070 0.000 0.802 254 H N -0.998 118.060 119.070 -0.019 0.000 2.556 254 H HA 0.128 4.685 4.556 0.001 0.000 0.268 254 H C 0.426 175.764 175.328 0.018 0.000 0.996 254 H CA 0.008 56.051 56.048 -0.008 0.000 1.157 254 H CB -1.036 28.705 29.762 -0.036 0.000 1.355 254 H HN 0.165 nan 8.280 nan 0.000 0.597 255 I N 3.204 123.591 120.570 -0.304 0.000 2.310 255 I HA 0.202 4.373 4.170 0.001 0.000 0.287 255 I C 0.965 177.150 176.117 0.112 0.000 1.073 255 I CA -0.278 60.916 61.300 -0.176 0.000 1.216 255 I CB 0.619 38.440 38.000 -0.298 0.000 1.415 255 I HN 0.212 nan 8.210 nan 0.000 0.480 256 R N 2.656 123.241 120.500 0.142 0.000 2.535 256 R HA 0.426 4.767 4.340 0.001 0.000 0.323 256 R C 0.025 176.271 176.300 -0.091 0.000 0.979 256 R CA -0.281 55.936 56.100 0.194 0.000 1.120 256 R CB 0.865 31.241 30.300 0.128 0.000 1.306 256 R HN 0.390 nan 8.270 nan 0.000 0.540 257 S N 0.192 115.694 115.700 -0.330 0.000 2.565 257 S HA 0.599 5.069 4.470 0.001 0.000 0.269 257 S C -1.838 172.276 174.600 -0.810 0.000 1.153 257 S CA -0.729 56.916 58.200 -0.925 0.000 0.835 257 S CB 1.793 64.817 63.200 -0.295 0.000 1.122 257 S HN 0.297 nan 8.310 nan 0.000 0.462 258 I N 1.866 121.785 120.570 -1.085 0.000 2.802 258 I HA 0.613 4.784 4.170 0.001 0.000 0.298 258 I C -1.317 174.598 176.117 -0.337 0.000 1.176 258 I CA -0.168 60.778 61.300 -0.590 0.000 1.025 258 I CB 2.383 39.951 38.000 -0.720 0.000 1.243 258 I HN 0.656 nan 8.210 nan 0.000 0.424 259 T N 6.972 121.412 114.554 -0.190 0.000 2.876 259 T HA 0.436 4.787 4.350 0.001 0.000 0.289 259 T C -0.668 173.995 174.700 -0.061 0.000 1.014 259 T CA -0.466 61.587 62.100 -0.079 0.000 0.986 259 T CB 1.776 70.626 68.868 -0.029 0.000 1.021 259 T HN 0.591 nan 8.240 nan 0.000 0.458 260 M N 2.241 121.825 119.600 -0.026 0.000 2.233 260 M HA 0.421 4.902 4.480 0.001 0.000 0.355 260 M C -0.582 175.722 176.300 0.007 0.000 1.191 260 M CA -0.251 55.045 55.300 -0.007 0.000 1.101 260 M CB 0.843 33.446 32.600 0.006 0.000 1.592 260 M HN 0.500 nan 8.290 nan 0.000 0.461 261 E N 4.399 124.613 120.200 0.023 0.000 2.081 261 E HA 0.321 4.672 4.350 0.001 0.000 0.276 261 E C -1.149 175.466 176.600 0.025 0.000 0.950 261 E CA -0.352 56.064 56.400 0.027 0.000 0.776 261 E CB 1.130 30.858 29.700 0.046 0.000 1.094 261 E HN 0.589 nan 8.360 nan 0.000 0.402 262 R N 2.172 122.678 120.500 0.009 0.000 2.474 262 R HA 0.160 4.500 4.340 0.001 0.000 0.295 262 R C 0.871 177.166 176.300 -0.009 0.000 0.980 262 R CA -0.465 55.637 56.100 0.003 0.000 0.934 262 R CB 1.266 31.564 30.300 -0.005 0.000 1.101 262 R HN 0.576 nan 8.270 nan 0.000 0.469 263 E N 1.866 122.061 120.200 -0.008 0.000 2.085 263 E HA -0.272 4.079 4.350 0.001 0.000 0.194 263 E C 1.520 178.094 176.600 -0.043 0.000 0.994 263 E CA 1.515 57.903 56.400 -0.021 0.000 0.801 263 E CB 0.249 29.942 29.700 -0.012 0.000 0.743 263 E HN 0.566 nan 8.360 nan 0.000 0.453 264 Q N 0.126 119.898 119.800 -0.046 0.000 2.508 264 Q HA -0.164 4.177 4.340 0.001 0.000 0.214 264 Q C 0.528 176.478 176.000 -0.084 0.000 0.979 264 Q CA 1.155 56.915 55.803 -0.071 0.000 0.911 264 Q CB 0.137 28.834 28.738 -0.067 0.000 0.969 264 Q HN 0.173 nan 8.270 nan 0.000 0.504 265 D N 1.163 121.523 120.400 -0.067 0.000 2.333 265 D HA 0.026 4.666 4.640 0.001 0.000 0.208 265 D C 0.375 176.627 176.300 -0.081 0.000 0.984 265 D CA 0.829 54.787 54.000 -0.070 0.000 0.873 265 D CB 0.506 41.276 40.800 -0.050 0.000 0.935 265 D HN 0.378 nan 8.370 nan 0.000 0.521 266 S N -0.728 114.923 115.700 -0.081 0.000 2.618 266 S HA 0.521 4.991 4.470 0.001 0.000 0.277 266 S C -0.363 174.169 174.600 -0.114 0.000 1.138 266 S CA -0.948 57.200 58.200 -0.087 0.000 0.844 266 S CB 1.667 64.837 63.200 -0.051 0.000 1.127 266 S HN -0.034 nan 8.310 nan 0.000 0.474 267 I N 1.903 122.394 120.570 -0.130 0.000 2.483 267 I HA 0.149 4.319 4.170 0.001 0.000 0.291 267 I C -0.291 175.751 176.117 -0.124 0.000 1.112 267 I CA -0.271 60.936 61.300 -0.155 0.000 1.350 267 I CB -0.129 37.770 38.000 -0.168 0.000 1.419 267 I HN 0.528 nan 8.210 nan 0.000 0.523 268 I N 7.866 128.349 120.570 -0.144 0.000 2.618 268 I HA 0.051 4.222 4.170 0.001 0.000 0.284 268 I C 0.251 176.245 176.117 -0.206 0.000 1.146 268 I CA 0.959 62.168 61.300 -0.151 0.000 1.425 268 I CB 0.242 38.148 38.000 -0.156 0.000 1.383 268 I HN 0.488 nan 8.210 nan 0.000 0.562 269 M N 5.722 125.233 119.600 -0.148 0.000 2.267 269 M HA 0.283 4.763 4.480 0.001 0.000 0.289 269 M C -0.913 175.322 176.300 -0.108 0.000 1.043 269 M CA -0.987 54.219 55.300 -0.156 0.000 0.928 269 M CB 1.993 34.541 32.600 -0.086 0.000 1.613 269 M HN 0.535 nan 8.290 nan 0.000 0.450 270 D N 1.798 122.128 120.400 -0.117 0.000 2.398 270 D HA 0.431 5.072 4.640 0.001 0.000 0.247 270 D C 1.034 177.317 176.300 -0.027 0.000 1.227 270 D CA -0.452 53.513 54.000 -0.058 0.000 0.980 270 D CB 0.740 41.526 40.800 -0.023 0.000 1.106 270 D HN 0.598 nan 8.370 nan 0.000 0.493 271 A N 0.516 123.324 122.820 -0.019 0.000 1.902 271 A HA -0.028 4.293 4.320 0.001 0.000 0.217 271 A C 2.209 179.799 177.584 0.009 0.000 1.181 271 A CA 2.295 54.328 52.037 -0.006 0.000 0.623 271 A CB -1.480 17.510 19.000 -0.017 0.000 0.818 271 A HN 0.701 nan 8.150 nan 0.000 0.443 272 A N -1.021 121.807 122.820 0.013 0.000 1.883 272 A HA -0.126 4.195 4.320 0.001 0.000 0.217 272 A C 2.326 179.926 177.584 0.026 0.000 1.186 272 A CA 2.436 54.486 52.037 0.022 0.000 0.624 272 A CB -1.367 17.651 19.000 0.030 0.000 0.822 272 A HN 0.440 nan 8.150 nan 0.000 0.444 273 T N -0.947 113.620 114.554 0.021 0.000 2.708 273 T HA -0.147 4.204 4.350 0.001 0.000 0.266 273 T C 2.094 176.802 174.700 0.013 0.000 1.037 273 T CA 1.550 63.658 62.100 0.013 0.000 1.146 273 T CB -0.216 68.638 68.868 -0.022 0.000 0.865 273 T HN 0.515 nan 8.240 nan 0.000 0.435 274 R N 0.606 121.118 120.500 0.020 0.000 2.081 274 R HA -0.026 4.315 4.340 0.001 0.000 0.235 274 R C 2.659 178.995 176.300 0.061 0.000 1.131 274 R CA 1.346 57.478 56.100 0.053 0.000 0.960 274 R CB -0.011 30.341 30.300 0.088 0.000 0.856 274 R HN 0.328 nan 8.270 nan 0.000 0.436 275 R N -0.265 120.264 120.500 0.049 0.000 2.073 275 R HA -0.016 4.325 4.340 0.001 0.000 0.229 275 R C 1.947 178.272 176.300 0.041 0.000 1.120 275 R CA 1.399 57.527 56.100 0.047 0.000 0.967 275 R CB -0.305 30.016 30.300 0.035 0.000 0.862 275 R HN 0.218 nan 8.270 nan 0.000 0.436 276 N N 0.808 119.530 118.700 0.036 0.000 2.289 276 N HA -0.109 4.632 4.740 0.001 0.000 0.184 276 N C 1.457 176.994 175.510 0.044 0.000 1.016 276 N CA 1.037 54.110 53.050 0.038 0.000 0.872 276 N CB -0.036 38.472 38.487 0.036 0.000 0.973 276 N HN 0.223 nan 8.380 nan 0.000 0.433 277 L N 0.470 121.713 121.223 0.034 0.000 2.558 277 L HA 0.123 4.464 4.340 0.001 0.000 0.225 277 L C -0.098 176.794 176.870 0.036 0.000 1.128 277 L CA 0.111 54.967 54.840 0.028 0.000 0.868 277 L CB -0.335 41.720 42.059 -0.007 0.000 1.006 277 L HN 0.126 nan 8.230 nan 0.000 0.454 278 E N 0.214 120.439 120.200 0.042 0.000 2.269 278 E HA -0.269 4.082 4.350 0.001 0.000 0.223 278 E C 1.110 177.727 176.600 0.028 0.000 1.244 278 E CA 0.094 56.521 56.400 0.046 0.000 0.713 278 E CB -1.333 28.400 29.700 0.054 0.000 1.178 278 E HN 0.553 nan 8.360 nan 0.000 0.370 279 I N -0.173 120.393 120.570 -0.007 0.000 2.076 279 I HA -0.269 3.902 4.170 0.001 0.000 0.237 279 I C 2.480 178.567 176.117 -0.050 0.000 1.059 279 I CA 2.319 63.563 61.300 -0.093 0.000 1.317 279 I CB -0.391 37.430 38.000 -0.298 0.000 1.037 279 I HN 0.390 nan 8.210 nan 0.000 0.398 280 T N -3.845 110.734 114.554 0.041 0.000 2.975 280 T HA 0.135 4.485 4.350 0.001 0.000 0.261 280 T C 0.484 175.243 174.700 0.098 0.000 0.984 280 T CA -0.361 61.802 62.100 0.105 0.000 0.911 280 T CB 0.378 69.388 68.868 0.236 0.000 1.127 280 T HN 0.243 nan 8.240 nan 0.000 0.514 281 Q N 2.316 122.175 119.800 0.099 0.000 2.321 281 Q HA 0.448 4.789 4.340 0.001 0.000 0.270 281 Q C -1.238 174.795 176.000 0.055 0.000 1.032 281 Q CA -0.918 54.928 55.803 0.070 0.000 0.784 281 Q CB 1.516 30.297 28.738 0.071 0.000 1.264 281 Q HN 0.415 nan 8.270 nan 0.000 0.448 282 N N 3.255 121.980 118.700 0.041 0.000 2.445 282 N HA 0.095 4.835 4.740 0.001 0.000 0.264 282 N C 0.868 176.396 175.510 0.030 0.000 1.227 282 N CA -0.356 52.715 53.050 0.034 0.000 0.963 282 N CB 0.549 39.053 38.487 0.027 0.000 1.188 282 N HN 0.745 nan 8.380 nan 0.000 0.491 283 L N -0.431 120.808 121.223 0.027 0.000 2.129 283 L HA -0.220 4.121 4.340 0.001 0.000 0.212 283 L C 2.337 179.219 176.870 0.019 0.000 1.087 283 L CA 1.851 56.705 54.840 0.023 0.000 0.757 283 L CB -0.761 41.310 42.059 0.020 0.000 0.896 283 L HN 0.779 nan 8.230 nan 0.000 0.434 284 A N -0.564 122.267 122.820 0.017 0.000 1.972 284 A HA 0.015 4.336 4.320 0.001 0.000 0.219 284 A C 1.963 179.556 177.584 0.016 0.000 1.169 284 A CA 1.699 53.744 52.037 0.015 0.000 0.635 284 A CB -0.488 18.520 19.000 0.013 0.000 0.810 284 A HN 0.586 nan 8.150 nan 0.000 0.446 285 G N -3.401 105.410 108.800 0.019 0.000 2.205 285 G HA2 0.082 4.042 3.960 0.001 0.000 0.180 285 G HA3 0.082 4.042 3.960 0.001 0.000 0.180 285 G C 0.739 175.651 174.900 0.020 0.000 1.004 285 G CA 0.271 45.382 45.100 0.019 0.000 0.670 285 G HN 1.280 nan 8.290 nan 0.000 0.496 286 G N -0.722 108.089 108.800 0.020 0.000 2.574 286 G HA2 0.721 4.682 3.960 0.001 0.000 0.248 286 G HA3 0.721 4.682 3.960 0.001 0.000 0.248 286 G C 0.915 175.830 174.900 0.024 0.000 1.422 286 G CA 0.820 45.931 45.100 0.019 0.000 1.051 286 G HN 1.323 nan 8.290 nan 0.000 0.560 287 A N -1.444 121.388 122.820 0.021 0.000 2.498 287 A HA 0.453 4.774 4.320 0.001 0.000 0.238 287 A C 0.451 178.048 177.584 0.021 0.000 1.225 287 A CA 0.117 52.169 52.037 0.025 0.000 0.978 287 A CB 0.228 19.241 19.000 0.023 0.000 1.142 287 A HN 0.482 nan 8.150 nan 0.000 0.552 288 E N 1.594 121.805 120.200 0.017 0.000 2.404 288 E HA 0.312 4.663 4.350 0.001 0.000 0.261 288 E C -0.122 176.488 176.600 0.016 0.000 1.074 288 E CA -0.189 56.220 56.400 0.014 0.000 0.917 288 E CB 0.049 29.755 29.700 0.011 0.000 0.965 288 E HN 0.253 nan 8.360 nan 0.000 0.433 289 N N -0.191 118.518 118.700 0.015 0.000 2.725 289 N HA -0.170 4.571 4.740 0.001 0.000 0.251 289 N C -0.766 174.759 175.510 0.025 0.000 1.031 289 N CA 1.414 54.472 53.050 0.014 0.000 0.720 289 N CB -2.098 36.392 38.487 0.005 0.000 0.930 289 N HN 0.697 nan 8.380 nan 0.000 0.543 290 T N -4.233 110.340 114.554 0.032 0.000 2.910 290 T HA 0.605 4.956 4.350 0.001 0.000 0.287 290 T C 1.254 175.981 174.700 0.044 0.000 1.050 290 T CA -0.976 61.149 62.100 0.040 0.000 1.011 290 T CB 1.702 70.592 68.868 0.036 0.000 1.195 290 T HN -0.029 nan 8.240 nan 0.000 0.540 291 L N 1.312 122.558 121.223 0.039 0.000 2.017 291 L HA 0.157 4.497 4.340 0.001 0.000 0.208 291 L C 2.805 179.694 176.870 0.031 0.000 1.073 291 L CA 2.487 57.348 54.840 0.035 0.000 0.745 291 L CB -1.380 40.681 42.059 0.004 0.000 0.894 291 L HN 0.932 nan 8.230 nan 0.000 0.432 292 A N -0.897 121.934 122.820 0.019 0.000 1.978 292 A HA -0.234 4.086 4.320 0.001 0.000 0.220 292 A C 2.449 180.047 177.584 0.023 0.000 1.170 292 A CA 1.988 54.038 52.037 0.021 0.000 0.636 292 A CB -1.146 17.869 19.000 0.024 0.000 0.810 292 A HN 0.683 nan 8.150 nan 0.000 0.448 293 S N -1.023 114.692 115.700 0.025 0.000 2.447 293 S HA -0.043 4.427 4.470 0.001 0.000 0.233 293 S C 1.507 176.119 174.600 0.020 0.000 1.006 293 S CA 1.408 59.620 58.200 0.020 0.000 0.957 293 S CB -0.288 62.924 63.200 0.021 0.000 0.773 293 S HN 0.248 nan 8.310 nan 0.000 0.507 294 V N 0.739 120.671 119.914 0.031 0.000 2.922 294 V HA 0.272 4.392 4.120 0.001 0.000 0.242 294 V C 2.205 178.322 176.094 0.038 0.000 1.094 294 V CA 0.566 62.888 62.300 0.036 0.000 1.106 294 V CB -0.285 31.573 31.823 0.057 0.000 0.799 294 V HN 0.419 nan 8.190 nan 0.000 0.474 295 L N -0.012 121.241 121.223 0.050 0.000 2.313 295 L HA 0.079 4.420 4.340 0.001 0.000 0.214 295 L C 0.742 177.623 176.870 0.017 0.000 1.119 295 L CA 0.777 55.648 54.840 0.053 0.000 0.809 295 L CB -0.063 42.044 42.059 0.080 0.000 0.933 295 L HN 0.330 nan 8.230 nan 0.000 0.449 296 D N -0.383 120.021 120.400 0.006 0.000 2.500 296 D HA 0.135 4.776 4.640 0.001 0.000 0.219 296 D C -0.345 175.944 176.300 -0.020 0.000 1.137 296 D CA -0.202 53.790 54.000 -0.013 0.000 0.946 296 D CB 0.341 41.134 40.800 -0.012 0.000 1.022 296 D HN 0.017 nan 8.370 nan 0.000 0.518 297 C N 3.504 122.787 119.300 -0.028 0.000 2.513 297 C HA 0.261 4.721 4.460 0.001 0.000 0.281 297 C C 0.879 175.845 174.990 -0.040 0.000 1.501 297 C CA -0.621 58.378 59.018 -0.031 0.000 1.749 297 C CB -1.613 26.108 27.740 -0.032 0.000 2.955 297 C HN 0.614 nan 8.230 nan 0.000 0.532 298 T N -1.398 113.127 114.554 -0.047 0.000 2.802 298 T HA 0.289 4.640 4.350 0.001 0.000 0.305 298 T C 1.118 175.791 174.700 -0.044 0.000 1.053 298 T CA 0.217 62.283 62.100 -0.057 0.000 1.058 298 T CB 1.128 69.950 68.868 -0.078 0.000 0.988 298 T HN 0.530 nan 8.240 nan 0.000 0.539 299 V N -2.130 117.759 119.914 -0.042 0.000 3.661 299 V HA 0.316 4.437 4.120 0.001 0.000 0.271 299 V C 0.856 176.934 176.094 -0.027 0.000 1.315 299 V CA 0.436 62.718 62.300 -0.030 0.000 1.072 299 V CB -0.870 30.939 31.823 -0.024 0.000 0.830 299 V HN 1.200 nan 8.190 nan 0.000 0.443 300 T N -3.411 111.122 114.554 -0.035 0.000 2.912 300 T HA 0.640 4.991 4.350 0.001 0.000 0.288 300 T C -2.167 172.509 174.700 -0.040 0.000 1.030 300 T CA -1.747 60.333 62.100 -0.032 0.000 1.020 300 T CB 2.034 70.884 68.868 -0.031 0.000 1.056 300 T HN -0.010 nan 8.240 nan 0.000 0.480 301 P HA -0.044 nan 4.420 nan 0.000 0.219 301 P C 1.888 179.163 177.300 -0.042 0.000 1.150 301 P CA 1.135 64.214 63.100 -0.036 0.000 0.814 301 P CB -0.197 31.484 31.700 -0.031 0.000 0.787 302 M N -2.532 117.042 119.600 -0.042 0.000 2.229 302 M HA 0.058 4.538 4.480 0.001 0.000 0.264 302 M C 2.125 178.381 176.300 -0.074 0.000 1.063 302 M CA 2.272 57.545 55.300 -0.046 0.000 1.114 302 M CB -1.811 30.769 32.600 -0.035 0.000 1.387 302 M HN -0.189 nan 8.290 nan 0.000 0.420 303 G N 0.588 109.337 108.800 -0.085 0.000 2.421 303 G HA2 -0.237 3.723 3.960 0.001 0.000 0.216 303 G HA3 -0.237 3.723 3.960 0.001 0.000 0.216 303 G C 1.621 176.434 174.900 -0.145 0.000 1.171 303 G CA 1.198 46.219 45.100 -0.131 0.000 0.775 303 G HN 0.537 nan 8.290 nan 0.000 0.543 304 S N 0.417 116.060 115.700 -0.095 0.000 2.359 304 S HA -0.153 4.318 4.470 0.001 0.000 0.224 304 S C 2.489 177.046 174.600 -0.072 0.000 1.035 304 S CA 1.650 59.804 58.200 -0.077 0.000 1.018 304 S CB -0.276 62.896 63.200 -0.047 0.000 0.876 304 S HN 0.463 nan 8.310 nan 0.000 0.448 305 R N 0.183 120.648 120.500 -0.059 0.000 2.096 305 R HA -0.043 4.298 4.340 0.001 0.000 0.235 305 R C 2.608 178.875 176.300 -0.054 0.000 1.127 305 R CA 1.742 57.821 56.100 -0.036 0.000 0.968 305 R CB -0.423 29.864 30.300 -0.022 0.000 0.861 305 R HN 0.571 nan 8.270 nan 0.000 0.440 306 M N 0.730 120.255 119.600 -0.126 0.000 2.200 306 M HA -0.102 4.379 4.480 0.001 0.000 0.265 306 M C 2.048 178.091 176.300 -0.428 0.000 1.066 306 M CA 1.304 56.472 55.300 -0.220 0.000 1.127 306 M CB -0.009 32.421 32.600 -0.283 0.000 1.379 306 M HN 0.156 nan 8.290 nan 0.000 0.420 307 L N 1.124 122.104 121.223 -0.405 0.000 2.042 307 L HA -0.187 4.154 4.340 0.001 0.000 0.210 307 L C 1.998 178.833 176.870 -0.060 0.000 1.076 307 L CA 2.024 56.658 54.840 -0.343 0.000 0.749 307 L CB -0.709 41.224 42.059 -0.210 0.000 0.893 307 L HN 0.268 nan 8.230 nan 0.000 0.432 308 K N -0.913 119.484 120.400 -0.006 0.000 2.147 308 K HA -0.123 4.198 4.320 0.001 0.000 0.205 308 K C 2.163 178.897 176.600 0.223 0.000 1.049 308 K CA 1.319 57.672 56.287 0.109 0.000 0.936 308 K CB -0.161 32.403 32.500 0.106 0.000 0.722 308 K HN 0.363 nan 8.250 nan 0.000 0.446 309 R N -0.212 120.402 120.500 0.190 0.000 2.075 309 R HA -0.119 4.222 4.340 0.001 0.000 0.232 309 R C 2.038 178.570 176.300 0.387 0.000 1.126 309 R CA 1.384 57.647 56.100 0.271 0.000 0.963 309 R CB -0.229 30.218 30.300 0.245 0.000 0.858 309 R HN 0.258 nan 8.270 nan 0.000 0.435 310 W N 1.365 122.711 121.300 0.077 0.000 2.318 310 W HA -0.129 4.532 4.660 0.001 0.000 0.313 310 W C 2.023 178.572 176.519 0.050 0.000 1.221 310 W CA 0.808 58.190 57.345 0.062 0.000 1.266 310 W CB -0.960 28.532 29.460 0.053 0.000 1.150 310 W HN 0.055 nan 8.180 nan 0.000 0.496 311 L N -1.179 120.204 121.223 0.267 0.000 2.127 311 L HA -0.231 4.110 4.340 0.001 0.000 0.211 311 L C 2.271 179.123 176.870 -0.029 0.000 1.089 311 L CA 1.246 56.130 54.840 0.074 0.000 0.757 311 L CB -0.890 41.151 42.059 -0.031 0.000 0.899 311 L HN 0.132 nan 8.230 nan 0.000 0.434 312 H N -1.455 117.678 119.070 0.106 0.000 2.553 312 H HA 0.221 4.778 4.556 0.001 0.000 0.265 312 H C 0.568 175.927 175.328 0.052 0.000 0.964 312 H CA 0.431 56.518 56.048 0.065 0.000 1.156 312 H CB 0.758 30.556 29.762 0.059 0.000 1.411 312 H HN 0.178 nan 8.280 nan 0.000 0.558 313 M N 1.558 121.258 119.600 0.167 0.000 2.389 313 M HA 0.275 4.756 4.480 0.001 0.000 0.206 313 M C -2.780 173.542 176.300 0.037 0.000 0.976 313 M CA -1.699 53.655 55.300 0.090 0.000 0.648 313 M CB 1.445 34.101 32.600 0.093 0.000 1.474 313 M HN -0.198 nan 8.290 nan 0.000 0.398 314 P HA 0.105 nan 4.420 nan 0.000 0.267 314 P C -0.178 177.112 177.300 -0.017 0.000 1.209 314 P CA -0.146 62.971 63.100 0.029 0.000 0.763 314 P CB 0.522 32.255 31.700 0.055 0.000 0.816 315 V N 1.961 121.857 119.914 -0.030 0.000 2.644 315 V HA 0.415 4.536 4.120 0.001 0.000 0.295 315 V C 1.042 177.122 176.094 -0.024 0.000 1.053 315 V CA -0.482 61.780 62.300 -0.063 0.000 0.987 315 V CB 1.687 33.441 31.823 -0.115 0.000 1.006 315 V HN 0.374 nan 8.190 nan 0.000 0.472 316 R N 0.479 120.925 120.500 -0.090 0.000 2.317 316 R HA 0.160 4.501 4.340 0.001 0.000 0.208 316 R C 0.008 176.252 176.300 -0.092 0.000 0.914 316 R CA 0.136 56.166 56.100 -0.116 0.000 1.060 316 R CB 0.003 30.185 30.300 -0.198 0.000 1.015 316 R HN 0.900 nan 8.270 nan 0.000 0.498 317 D N 1.170 121.510 120.400 -0.100 0.000 2.374 317 D HA -0.029 4.612 4.640 0.001 0.000 0.240 317 D C 1.144 177.341 176.300 -0.170 0.000 1.229 317 D CA 0.039 53.967 54.000 -0.121 0.000 0.895 317 D CB 1.152 41.891 40.800 -0.102 0.000 1.046 317 D HN 0.127 nan 8.370 nan 0.000 0.498 318 T N 1.520 115.924 114.554 -0.250 0.000 2.929 318 T HA -0.174 4.176 4.350 0.001 0.000 0.271 318 T C 1.750 176.327 174.700 -0.205 0.000 1.085 318 T CA 0.755 62.606 62.100 -0.416 0.000 1.125 318 T CB -0.078 68.451 68.868 -0.565 0.000 0.874 318 T HN 0.345 nan 8.240 nan 0.000 0.494 319 R N 0.540 120.964 120.500 -0.127 0.000 2.081 319 R HA 0.015 4.356 4.340 0.001 0.000 0.235 319 R C 2.570 178.835 176.300 -0.059 0.000 1.131 319 R CA 1.343 57.401 56.100 -0.069 0.000 0.960 319 R CB -0.791 29.475 30.300 -0.056 0.000 0.856 319 R HN 0.312 nan 8.270 nan 0.000 0.436 320 V N 1.607 121.471 119.914 -0.083 0.000 2.358 320 V HA -0.209 3.912 4.120 0.001 0.000 0.246 320 V C 2.298 178.347 176.094 -0.076 0.000 1.047 320 V CA 1.590 63.839 62.300 -0.086 0.000 1.035 320 V CB -0.434 31.311 31.823 -0.129 0.000 0.658 320 V HN 0.254 nan 8.190 nan 0.000 0.452 321 L N -0.770 120.401 121.223 -0.088 0.000 1.994 321 L HA -0.184 4.156 4.340 0.001 0.000 0.208 321 L C 2.456 179.370 176.870 0.073 0.000 1.071 321 L CA 1.568 56.393 54.840 -0.024 0.000 0.745 321 L CB -0.693 41.319 42.059 -0.078 0.000 0.892 321 L HN 0.258 nan 8.230 nan 0.000 0.431 322 L N -0.335 120.935 121.223 0.079 0.000 2.043 322 L HA -0.266 4.075 4.340 0.001 0.000 0.212 322 L C 2.644 179.563 176.870 0.081 0.000 1.075 322 L CA 1.457 56.364 54.840 0.112 0.000 0.752 322 L CB -0.530 41.580 42.059 0.085 0.000 0.891 322 L HN 0.336 nan 8.230 nan 0.000 0.432 323 E N -0.425 119.804 120.200 0.048 0.000 2.106 323 E HA -0.188 4.163 4.350 0.001 0.000 0.192 323 E C 2.373 179.014 176.600 0.069 0.000 0.984 323 E CA 0.838 57.265 56.400 0.046 0.000 0.806 323 E CB 0.016 29.728 29.700 0.021 0.000 0.750 323 E HN 0.454 nan 8.360 nan 0.000 0.458 324 R N 0.630 121.172 120.500 0.070 0.000 2.075 324 R HA -0.110 4.231 4.340 0.001 0.000 0.232 324 R C 2.420 178.814 176.300 0.155 0.000 1.126 324 R CA 1.064 57.231 56.100 0.112 0.000 0.963 324 R CB -0.150 30.202 30.300 0.087 0.000 0.858 324 R HN 0.218 nan 8.270 nan 0.000 0.435 325 Q N 0.645 120.549 119.800 0.173 0.000 2.061 325 Q HA -0.231 4.110 4.340 0.001 0.000 0.204 325 Q C 2.165 178.304 176.000 0.232 0.000 0.984 325 Q CA 1.635 57.592 55.803 0.256 0.000 0.846 325 Q CB -0.053 28.803 28.738 0.198 0.000 0.902 325 Q HN 0.417 nan 8.270 nan 0.000 0.421 326 Q N -0.478 119.412 119.800 0.150 0.000 2.135 326 Q HA -0.147 4.194 4.340 0.001 0.000 0.204 326 Q C 2.074 178.135 176.000 0.102 0.000 0.981 326 Q CA 1.790 57.664 55.803 0.119 0.000 0.856 326 Q CB -0.014 28.773 28.738 0.081 0.000 0.902 326 Q HN 0.362 nan 8.270 nan 0.000 0.425 327 T N 0.904 115.514 114.554 0.092 0.000 2.737 327 T HA -0.089 4.262 4.350 0.001 0.000 0.265 327 T C 1.833 176.567 174.700 0.057 0.000 1.038 327 T CA 0.911 63.050 62.100 0.066 0.000 1.144 327 T CB -0.180 68.732 68.868 0.073 0.000 0.866 327 T HN 0.196 nan 8.240 nan 0.000 0.434 328 I N 1.284 121.892 120.570 0.062 0.000 2.264 328 I HA -0.151 4.020 4.170 0.001 0.000 0.248 328 I C 2.788 178.873 176.117 -0.052 0.000 1.111 328 I CA 1.311 62.593 61.300 -0.030 0.000 1.382 328 I CB -0.568 37.370 38.000 -0.103 0.000 1.060 328 I HN 0.334 nan 8.210 nan 0.000 0.418 329 G N 0.124 108.961 108.800 0.062 0.000 2.394 329 G HA2 -0.176 3.784 3.960 0.001 0.000 0.214 329 G HA3 -0.176 3.784 3.960 0.001 0.000 0.214 329 G C 1.827 176.793 174.900 0.110 0.000 1.176 329 G CA 0.680 45.851 45.100 0.119 0.000 0.786 329 G HN 0.480 nan 8.290 nan 0.000 0.533 330 A N 0.128 123.008 122.820 0.100 0.000 2.015 330 A HA 0.237 4.558 4.320 0.001 0.000 0.219 330 A C 2.202 179.877 177.584 0.153 0.000 1.163 330 A CA 0.797 52.898 52.037 0.107 0.000 0.646 330 A CB -0.227 18.802 19.000 0.049 0.000 0.806 330 A HN 0.348 nan 8.150 nan 0.000 0.448 331 L N -0.433 120.857 121.223 0.112 0.000 2.592 331 L HA -0.022 4.319 4.340 0.001 0.000 0.227 331 L C 2.210 179.215 176.870 0.227 0.000 1.127 331 L CA -0.086 54.853 54.840 0.166 0.000 0.884 331 L CB -0.170 41.912 42.059 0.038 0.000 1.065 331 L HN 0.396 nan 8.230 nan 0.000 0.457 332 Q N 0.612 120.499 119.800 0.145 0.000 2.029 332 Q HA -0.259 4.081 4.340 0.001 0.000 0.209 332 Q C 1.237 177.247 176.000 0.017 0.000 0.999 332 Q CA 1.861 57.705 55.803 0.068 0.000 0.857 332 Q CB -0.260 28.528 28.738 0.084 0.000 0.926 332 Q HN 0.534 nan 8.270 nan 0.000 0.415 333 D N -0.667 119.730 120.400 -0.005 0.000 2.350 333 D HA -0.080 4.561 4.640 0.001 0.000 0.216 333 D C 1.388 177.475 176.300 -0.357 0.000 0.968 333 D CA 0.698 54.553 54.000 -0.241 0.000 0.894 333 D CB -0.179 40.384 40.800 -0.396 0.000 0.909 333 D HN 0.242 nan 8.370 nan 0.000 0.520 334 F N 0.340 120.257 119.950 -0.056 0.000 2.717 334 F HA 0.011 4.538 4.527 0.001 0.000 0.295 334 F C 2.510 178.271 175.800 -0.066 0.000 1.117 334 F CA 0.366 58.336 58.000 -0.051 0.000 1.361 334 F CB -0.486 38.495 39.000 -0.033 0.000 1.112 334 F HN -0.101 nan 8.300 nan 0.000 0.594 335 T N -1.280 113.314 114.554 0.068 0.000 2.737 335 T HA -0.269 4.082 4.350 0.001 0.000 0.269 335 T C 2.216 176.897 174.700 -0.032 0.000 1.040 335 T CA 1.244 63.344 62.100 0.001 0.000 1.142 335 T CB -0.700 68.130 68.868 -0.063 0.000 0.861 335 T HN 0.192 nan 8.240 nan 0.000 0.456 336 A N 1.829 124.606 122.820 -0.071 0.000 1.883 336 A HA 0.191 4.511 4.320 0.001 0.000 0.217 336 A C 2.767 180.329 177.584 -0.036 0.000 1.186 336 A CA 1.857 53.847 52.037 -0.078 0.000 0.624 336 A CB -1.574 17.359 19.000 -0.111 0.000 0.822 336 A HN 0.669 nan 8.150 nan 0.000 0.444 337 G N -1.085 107.709 108.800 -0.010 0.000 2.494 337 G HA2 0.089 4.050 3.960 0.001 0.000 0.216 337 G HA3 0.089 4.050 3.960 0.001 0.000 0.216 337 G C 1.514 176.431 174.900 0.029 0.000 1.140 337 G CA 0.706 45.814 45.100 0.014 0.000 0.801 337 G HN 0.403 nan 8.290 nan 0.000 0.536 338 L N -0.332 120.915 121.223 0.041 0.000 2.095 338 L HA -0.001 4.340 4.340 0.001 0.000 0.204 338 L C 3.093 179.968 176.870 0.008 0.000 1.080 338 L CA 0.776 55.634 54.840 0.031 0.000 0.759 338 L CB -0.329 41.753 42.059 0.038 0.000 0.914 338 L HN 0.209 nan 8.230 nan 0.000 0.439 339 Q N -0.100 119.698 119.800 -0.003 0.000 2.084 339 Q HA -0.173 4.167 4.340 0.001 0.000 0.202 339 Q C -0.479 175.516 176.000 -0.008 0.000 0.978 339 Q CA 1.441 57.236 55.803 -0.013 0.000 0.844 339 Q CB -0.990 27.733 28.738 -0.026 0.000 0.898 339 Q HN 0.427 nan 8.270 nan 0.000 0.426 340 P HA -0.124 nan 4.420 nan 0.000 0.218 340 P C 1.301 178.606 177.300 0.008 0.000 1.149 340 P CA 1.072 64.172 63.100 0.000 0.000 0.817 340 P CB 0.061 31.761 31.700 -0.000 0.000 0.785 341 V N -0.705 119.212 119.914 0.005 0.000 2.346 341 V HA -0.155 3.966 4.120 0.001 0.000 0.244 341 V C 2.443 178.538 176.094 0.002 0.000 1.037 341 V CA 1.320 63.621 62.300 0.002 0.000 1.029 341 V CB -1.200 30.623 31.823 -0.000 0.000 0.663 341 V HN 0.049 nan 8.190 nan 0.000 0.454 342 L N -0.057 121.167 121.223 0.001 0.000 2.079 342 L HA -0.213 4.128 4.340 0.001 0.000 0.210 342 L C 2.762 179.634 176.870 0.003 0.000 1.081 342 L CA 1.769 56.609 54.840 0.000 0.000 0.752 342 L CB -0.529 41.526 42.059 -0.007 0.000 0.896 342 L HN 0.301 nan 8.230 nan 0.000 0.433 343 R N -0.269 120.234 120.500 0.006 0.000 2.105 343 R HA -0.192 4.148 4.340 0.001 0.000 0.239 343 R C 2.172 178.493 176.300 0.034 0.000 1.135 343 R CA 1.253 57.359 56.100 0.010 0.000 0.967 343 R CB 0.012 30.317 30.300 0.007 0.000 0.861 343 R HN 0.352 nan 8.270 nan 0.000 0.442 344 Q N -0.054 119.780 119.800 0.056 0.000 2.364 344 Q HA -0.058 4.283 4.340 0.001 0.000 0.207 344 Q C 1.980 178.058 176.000 0.130 0.000 0.970 344 Q CA 0.713 56.597 55.803 0.135 0.000 0.888 344 Q CB 0.125 28.938 28.738 0.125 0.000 0.951 344 Q HN 0.259 nan 8.270 nan 0.000 0.469 345 V N -0.202 119.740 119.914 0.046 0.000 2.667 345 V HA -0.044 4.077 4.120 0.001 0.000 0.252 345 V C 1.362 177.464 176.094 0.013 0.000 1.065 345 V CA 1.173 63.486 62.300 0.023 0.000 1.083 345 V CB -0.985 30.845 31.823 0.011 0.000 0.692 345 V HN 0.548 nan 8.190 nan 0.000 0.468 346 G N 0.600 109.408 108.800 0.012 0.000 2.641 346 G HA2 -0.331 3.629 3.960 0.001 0.000 0.254 346 G HA3 -0.331 3.629 3.960 0.001 0.000 0.254 346 G C -0.068 174.818 174.900 -0.024 0.000 1.315 346 G CA 0.255 45.350 45.100 -0.007 0.000 0.907 346 G HN 0.400 nan 8.290 nan 0.000 0.572 347 D N 0.563 120.944 120.400 -0.033 0.000 2.713 347 D HA 0.291 4.932 4.640 0.001 0.000 0.229 347 D C 1.828 178.099 176.300 -0.050 0.000 1.136 347 D CA -0.402 53.575 54.000 -0.038 0.000 1.010 347 D CB 0.157 40.934 40.800 -0.038 0.000 1.084 347 D HN 0.413 nan 8.370 nan 0.000 0.495 348 L N 1.936 123.128 121.223 -0.051 0.000 2.187 348 L HA -0.096 4.245 4.340 0.001 0.000 0.213 348 L C 1.879 178.711 176.870 -0.065 0.000 1.100 348 L CA 1.728 56.524 54.840 -0.073 0.000 0.765 348 L CB -0.323 41.698 42.059 -0.064 0.000 0.904 348 L HN 0.353 nan 8.230 nan 0.000 0.437 349 E N -0.511 119.664 120.200 -0.041 0.000 2.051 349 E HA -0.242 4.109 4.350 0.001 0.000 0.192 349 E C 2.207 178.782 176.600 -0.041 0.000 0.991 349 E CA 1.224 57.606 56.400 -0.029 0.000 0.799 349 E CB -0.069 29.623 29.700 -0.013 0.000 0.748 349 E HN 0.506 nan 8.360 nan 0.000 0.449 350 R N -0.053 120.419 120.500 -0.047 0.000 2.193 350 R HA 0.057 4.397 4.340 0.001 0.000 0.213 350 R C 2.410 178.661 176.300 -0.082 0.000 1.055 350 R CA 0.575 56.640 56.100 -0.057 0.000 0.995 350 R CB -0.033 30.239 30.300 -0.047 0.000 0.893 350 R HN 0.316 nan 8.270 nan 0.000 0.459 351 I N 0.827 121.345 120.570 -0.087 0.000 2.252 351 I HA -0.273 3.897 4.170 0.001 0.000 0.245 351 I C 2.017 178.050 176.117 -0.140 0.000 1.102 351 I CA 1.307 62.543 61.300 -0.106 0.000 1.385 351 I CB -0.166 37.767 38.000 -0.112 0.000 1.064 351 I HN 0.149 nan 8.210 nan 0.000 0.414 352 L N 0.474 121.616 121.223 -0.135 0.000 2.265 352 L HA -0.174 4.167 4.340 0.001 0.000 0.215 352 L C 2.776 179.518 176.870 -0.214 0.000 1.117 352 L CA 0.912 55.658 54.840 -0.157 0.000 0.782 352 L CB -0.636 41.359 42.059 -0.106 0.000 0.914 352 L HN 0.249 nan 8.230 nan 0.000 0.441 353 A N 0.261 122.952 122.820 -0.215 0.000 1.898 353 A HA -0.174 4.147 4.320 0.001 0.000 0.216 353 A C 2.378 179.753 177.584 -0.348 0.000 1.181 353 A CA 1.211 53.034 52.037 -0.356 0.000 0.620 353 A CB -0.369 18.495 19.000 -0.227 0.000 0.819 353 A HN 0.310 nan 8.150 nan 0.000 0.442 354 R N -1.113 119.247 120.500 -0.232 0.000 2.148 354 R HA -0.063 4.278 4.340 0.001 0.000 0.227 354 R C 2.023 178.150 176.300 -0.289 0.000 1.103 354 R CA 1.172 57.154 56.100 -0.197 0.000 0.983 354 R CB -0.483 29.749 30.300 -0.112 0.000 0.874 354 R HN 0.501 nan 8.270 nan 0.000 0.451 355 L N 0.756 121.771 121.223 -0.347 0.000 2.027 355 L HA -0.056 4.285 4.340 0.001 0.000 0.206 355 L C 2.237 178.803 176.870 -0.506 0.000 1.074 355 L CA 1.939 56.460 54.840 -0.531 0.000 0.745 355 L CB -0.602 41.221 42.059 -0.392 0.000 0.898 355 L HN 0.075 nan 8.230 nan 0.000 0.433 356 A N -0.874 121.718 122.820 -0.380 0.000 2.015 356 A HA -0.070 4.251 4.320 0.001 0.000 0.219 356 A C 2.109 179.535 177.584 -0.265 0.000 1.163 356 A CA 1.633 53.484 52.037 -0.310 0.000 0.646 356 A CB -0.730 18.049 19.000 -0.368 0.000 0.806 356 A HN 0.496 nan 8.150 nan 0.000 0.448 357 L N -1.890 119.159 121.223 -0.291 0.000 2.592 357 L HA 0.156 4.497 4.340 0.001 0.000 0.227 357 L C 0.522 177.322 176.870 -0.116 0.000 1.127 357 L CA -0.101 54.634 54.840 -0.174 0.000 0.884 357 L CB -0.048 41.912 42.059 -0.165 0.000 1.065 357 L HN 0.367 nan 8.230 nan 0.000 0.457 358 R N -0.424 119.954 120.500 -0.203 0.000 3.641 358 R HA -0.175 4.166 4.340 0.001 0.000 0.286 358 R C 0.916 177.337 176.300 0.203 0.000 1.153 358 R CA 0.857 56.920 56.100 -0.061 0.000 0.775 358 R CB -2.481 27.902 30.300 0.139 0.000 1.215 358 R HN 0.498 nan 8.270 nan 0.000 0.474 359 T N -3.800 110.792 114.554 0.063 0.000 3.044 359 T HA 0.463 4.814 4.350 0.001 0.000 0.260 359 T C 0.793 175.590 174.700 0.160 0.000 1.019 359 T CA 0.208 62.377 62.100 0.116 0.000 0.921 359 T CB 0.626 69.506 68.868 0.020 0.000 1.053 359 T HN 0.438 nan 8.240 nan 0.000 0.533 360 A N 2.119 125.049 122.820 0.182 0.000 2.546 360 A HA 0.484 4.804 4.320 0.001 0.000 0.243 360 A C 0.499 178.295 177.584 0.354 0.000 1.063 360 A CA -0.240 51.916 52.037 0.199 0.000 0.757 360 A CB 0.080 19.133 19.000 0.089 0.000 0.991 360 A HN 0.613 nan 8.150 nan 0.000 0.503 361 R N 2.469 123.094 120.500 0.208 0.000 2.691 361 R HA 0.353 4.694 4.340 0.001 0.000 0.259 361 R C -1.907 174.513 176.300 0.200 0.000 1.048 361 R CA -1.881 54.330 56.100 0.185 0.000 1.086 361 R CB 0.277 30.617 30.300 0.067 0.000 1.166 361 R HN 0.374 nan 8.270 nan 0.000 0.526 362 P HA -0.130 nan 4.420 nan 0.000 0.215 362 P C 0.559 177.905 177.300 0.078 0.000 1.153 362 P CA 1.439 64.622 63.100 0.139 0.000 0.853 362 P CB 0.176 31.879 31.700 0.005 0.000 0.788 363 R N -0.849 119.669 120.500 0.031 0.000 2.237 363 R HA -0.072 4.269 4.340 0.001 0.000 0.219 363 R C 1.516 177.814 176.300 -0.003 0.000 1.080 363 R CA 0.889 56.990 56.100 0.002 0.000 0.995 363 R CB -0.613 29.676 30.300 -0.017 0.000 0.875 363 R HN 0.252 nan 8.270 nan 0.000 0.462 364 D N 0.900 121.312 120.400 0.020 0.000 2.117 364 D HA -0.090 4.551 4.640 0.001 0.000 0.198 364 D C 1.939 178.228 176.300 -0.019 0.000 0.982 364 D CA 1.000 54.999 54.000 -0.002 0.000 0.828 364 D CB 0.006 40.819 40.800 0.022 0.000 0.967 364 D HN 0.169 nan 8.370 nan 0.000 0.464 365 L N 0.487 121.729 121.223 0.031 0.000 2.156 365 L HA -0.048 4.293 4.340 0.001 0.000 0.208 365 L C 2.434 179.284 176.870 -0.034 0.000 1.095 365 L CA 0.847 55.688 54.840 0.002 0.000 0.770 365 L CB -0.370 41.725 42.059 0.061 0.000 0.914 365 L HN -0.035 nan 8.230 nan 0.000 0.439 366 A N 0.067 122.882 122.820 -0.009 0.000 1.968 366 A HA -0.131 4.190 4.320 0.001 0.000 0.217 366 A C 2.373 179.943 177.584 -0.023 0.000 1.169 366 A CA 0.969 52.999 52.037 -0.011 0.000 0.638 366 A CB -0.313 18.683 19.000 -0.006 0.000 0.812 366 A HN 0.303 nan 8.150 nan 0.000 0.446 367 R N -1.332 119.139 120.500 -0.048 0.000 2.115 367 R HA 0.036 4.377 4.340 0.001 0.000 0.226 367 R C 2.238 178.475 176.300 -0.105 0.000 1.100 367 R CA 1.235 57.306 56.100 -0.047 0.000 0.980 367 R CB -0.337 29.927 30.300 -0.060 0.000 0.875 367 R HN 0.645 nan 8.270 nan 0.000 0.445 368 M N 0.649 120.121 119.600 -0.213 0.000 2.086 368 M HA -0.204 4.277 4.480 0.001 0.000 0.261 368 M C 2.437 178.349 176.300 -0.647 0.000 1.067 368 M CA 1.608 56.620 55.300 -0.481 0.000 1.116 368 M CB -0.109 32.193 32.600 -0.496 0.000 1.348 368 M HN -0.024 nan 8.290 nan 0.000 0.407 369 R N -1.127 119.180 120.500 -0.322 0.000 2.096 369 R HA -0.282 4.059 4.340 0.001 0.000 0.240 369 R C 2.176 178.471 176.300 -0.008 0.000 1.139 369 R CA 2.488 58.532 56.100 -0.093 0.000 0.952 369 R CB -0.608 29.706 30.300 0.024 0.000 0.854 369 R HN 0.526 nan 8.270 nan 0.000 0.436 370 H N -0.249 118.766 119.070 -0.090 0.000 2.353 370 H HA -0.012 4.545 4.556 0.001 0.000 0.300 370 H C 1.766 177.076 175.328 -0.030 0.000 1.090 370 H CA 2.041 58.065 56.048 -0.040 0.000 1.327 370 H CB -0.206 29.529 29.762 -0.045 0.000 1.383 370 H HN 0.400 nan 8.280 nan 0.000 0.508 371 A N 0.086 122.870 122.820 -0.060 0.000 1.908 371 A HA -0.155 4.165 4.320 0.001 0.000 0.218 371 A C 2.052 179.660 177.584 0.040 0.000 1.181 371 A CA 1.542 53.536 52.037 -0.071 0.000 0.627 371 A CB -1.007 17.917 19.000 -0.128 0.000 0.818 371 A HN 0.442 nan 8.150 nan 0.000 0.445 372 F N 0.294 120.237 119.950 -0.013 0.000 2.202 372 F HA -0.162 4.366 4.527 0.001 0.000 0.301 372 F C 2.513 178.304 175.800 -0.015 0.000 1.082 372 F CA 1.342 59.352 58.000 0.016 0.000 1.313 372 F CB -0.997 38.021 39.000 0.029 0.000 1.024 372 F HN 0.376 nan 8.300 nan 0.000 0.495 373 Q N -0.522 119.348 119.800 0.116 0.000 2.472 373 Q HA -0.113 4.228 4.340 0.001 0.000 0.208 373 Q C 1.736 177.709 176.000 -0.044 0.000 0.958 373 Q CA 0.472 56.282 55.803 0.011 0.000 0.932 373 Q CB -0.021 28.682 28.738 -0.058 0.000 1.007 373 Q HN 0.400 nan 8.270 nan 0.000 0.508 374 Q N -0.193 119.582 119.800 -0.042 0.000 2.376 374 Q HA 0.063 4.404 4.340 0.001 0.000 0.206 374 Q C 1.950 177.955 176.000 0.009 0.000 0.921 374 Q CA 0.443 56.222 55.803 -0.041 0.000 0.911 374 Q CB 0.256 28.962 28.738 -0.054 0.000 1.032 374 Q HN 0.423 nan 8.270 nan 0.000 0.510 375 L N 0.978 122.231 121.223 0.051 0.000 2.046 375 L HA -0.138 4.203 4.340 0.001 0.000 0.208 375 L C -0.543 176.334 176.870 0.012 0.000 1.077 375 L CA 1.280 56.151 54.840 0.052 0.000 0.747 375 L CB -1.762 40.355 42.059 0.096 0.000 0.896 375 L HN 0.125 nan 8.230 nan 0.000 0.432 376 P HA -0.181 nan 4.420 nan 0.000 0.216 376 P C 1.355 178.649 177.300 -0.009 0.000 1.153 376 P CA 1.164 64.257 63.100 -0.011 0.000 0.848 376 P CB 0.142 31.835 31.700 -0.011 0.000 0.787 377 E N -0.009 120.188 120.200 -0.005 0.000 2.072 377 E HA -0.135 4.216 4.350 0.001 0.000 0.191 377 E C 1.891 178.491 176.600 -0.000 0.000 0.985 377 E CA 1.164 57.563 56.400 -0.002 0.000 0.801 377 E CB -1.213 28.485 29.700 -0.004 0.000 0.750 377 E HN 0.100 nan 8.360 nan 0.000 0.452 378 L N -0.056 121.166 121.223 -0.001 0.000 2.056 378 L HA -0.091 4.249 4.340 0.001 0.000 0.207 378 L C 2.760 179.619 176.870 -0.017 0.000 1.078 378 L CA 1.359 56.197 54.840 -0.005 0.000 0.749 378 L CB -0.373 41.687 42.059 0.002 0.000 0.901 378 L HN 0.087 nan 8.230 nan 0.000 0.433 379 R N -0.147 120.342 120.500 -0.018 0.000 2.105 379 R HA -0.157 4.183 4.340 0.001 0.000 0.239 379 R C 2.369 178.651 176.300 -0.030 0.000 1.135 379 R CA 1.401 57.483 56.100 -0.030 0.000 0.967 379 R CB -0.387 29.892 30.300 -0.035 0.000 0.861 379 R HN 0.380 nan 8.270 nan 0.000 0.442 380 A N 0.530 123.340 122.820 -0.017 0.000 1.930 380 A HA -0.131 4.190 4.320 0.001 0.000 0.215 380 A C 1.962 179.546 177.584 0.001 0.000 1.176 380 A CA 0.827 52.859 52.037 -0.008 0.000 0.632 380 A CB -0.189 18.812 19.000 0.001 0.000 0.819 380 A HN 0.276 nan 8.150 nan 0.000 0.445 381 Q N -0.464 119.339 119.800 0.005 0.000 2.119 381 Q HA -0.013 4.328 4.340 0.001 0.000 0.201 381 Q C 1.781 177.739 176.000 -0.070 0.000 0.972 381 Q CA 1.159 56.980 55.803 0.029 0.000 0.847 381 Q CB -0.215 28.555 28.738 0.054 0.000 0.903 381 Q HN 0.650 nan 8.270 nan 0.000 0.433 382 L N 0.335 121.491 121.223 -0.112 0.000 2.492 382 L HA -0.069 4.272 4.340 0.001 0.000 0.223 382 L C 2.208 178.980 176.870 -0.165 0.000 1.132 382 L CA 0.305 55.027 54.840 -0.197 0.000 0.850 382 L CB -0.236 41.743 42.059 -0.134 0.000 0.966 382 L HN 0.299 nan 8.230 nan 0.000 0.454 383 E N 0.778 120.923 120.200 -0.093 0.000 2.038 383 E HA -0.263 4.087 4.350 0.001 0.000 0.195 383 E C 1.963 178.529 176.600 -0.057 0.000 1.000 383 E CA 2.285 58.649 56.400 -0.060 0.000 0.803 383 E CB 0.101 29.784 29.700 -0.028 0.000 0.750 383 E HN 0.504 nan 8.360 nan 0.000 0.448 384 T N -1.391 113.139 114.554 -0.042 0.000 3.055 384 T HA 0.042 4.393 4.350 0.001 0.000 0.265 384 T C 0.962 175.638 174.700 -0.040 0.000 1.111 384 T CA 0.214 62.314 62.100 0.000 0.000 1.118 384 T CB -0.116 68.809 68.868 0.095 0.000 0.909 384 T HN -0.055 nan 8.240 nan 0.000 0.501 385 V N 3.404 123.198 119.914 -0.200 0.000 2.420 385 V HA 0.050 4.171 4.120 0.001 0.000 0.274 385 V C 0.536 176.567 176.094 -0.105 0.000 1.003 385 V CA -0.202 61.941 62.300 -0.261 0.000 1.092 385 V CB -0.541 30.978 31.823 -0.507 0.000 1.002 385 V HN 0.514 nan 8.190 nan 0.000 0.473 386 D N 4.377 124.761 120.400 -0.027 0.000 2.498 386 D HA 0.281 4.922 4.640 0.001 0.000 0.229 386 D C 0.050 176.349 176.300 -0.002 0.000 1.188 386 D CA 0.286 54.284 54.000 -0.003 0.000 1.028 386 D CB 0.154 40.969 40.800 0.025 0.000 1.087 386 D HN 0.557 nan 8.370 nan 0.000 0.510 387 S N 2.026 117.714 115.700 -0.019 0.000 2.605 387 S HA 0.487 4.958 4.470 0.001 0.000 0.279 387 S C 0.692 175.286 174.600 -0.011 0.000 1.166 387 S CA -0.197 57.999 58.200 -0.007 0.000 0.975 387 S CB 0.857 64.052 63.200 -0.008 0.000 1.111 387 S HN 0.342 nan 8.310 nan 0.000 0.465 388 A N 6.039 128.860 122.820 0.000 0.000 1.933 388 A HA 0.157 4.478 4.320 0.001 0.000 0.218 388 A C -0.787 176.797 177.584 0.001 0.000 1.175 388 A CA 1.570 53.607 52.037 -0.001 0.000 0.628 388 A CB -1.572 17.431 19.000 0.004 0.000 0.814 388 A HN 0.664 nan 8.150 nan 0.000 0.444 389 P HA -0.075 nan 4.420 nan 0.000 0.216 389 P C 1.626 178.932 177.300 0.009 0.000 1.153 389 P CA 1.103 64.214 63.100 0.017 0.000 0.848 389 P CB -0.186 31.533 31.700 0.032 0.000 0.787 390 V N 0.172 120.082 119.914 -0.006 0.000 2.332 390 V HA -0.250 3.871 4.120 0.001 0.000 0.248 390 V C 2.545 178.617 176.094 -0.037 0.000 1.055 390 V CA 1.760 64.041 62.300 -0.031 0.000 1.038 390 V CB -1.161 30.619 31.823 -0.073 0.000 0.651 390 V HN 0.147 nan 8.190 nan 0.000 0.450 391 Q N -0.401 119.379 119.800 -0.034 0.000 2.172 391 Q HA -0.047 4.294 4.340 0.001 0.000 0.200 391 Q C 2.415 178.403 176.000 -0.021 0.000 0.964 391 Q CA 1.595 57.377 55.803 -0.034 0.000 0.855 391 Q CB -0.559 28.161 28.738 -0.031 0.000 0.918 391 Q HN 0.662 nan 8.270 nan 0.000 0.444 392 A N 1.061 123.876 122.820 -0.009 0.000 1.877 392 A HA -0.133 4.188 4.320 0.001 0.000 0.216 392 A C 2.247 179.835 177.584 0.006 0.000 1.186 392 A CA 1.006 53.043 52.037 0.001 0.000 0.620 392 A CB -0.744 18.261 19.000 0.010 0.000 0.822 392 A HN 0.302 nan 8.150 nan 0.000 0.443 393 L N -1.035 120.195 121.223 0.011 0.000 2.042 393 L HA -0.223 4.118 4.340 0.001 0.000 0.210 393 L C 2.833 179.706 176.870 0.005 0.000 1.076 393 L CA 1.900 56.751 54.840 0.018 0.000 0.749 393 L CB -0.495 41.577 42.059 0.022 0.000 0.893 393 L HN 0.499 nan 8.230 nan 0.000 0.432 394 R N 0.282 120.773 120.500 -0.014 0.000 2.083 394 R HA -0.246 4.095 4.340 0.001 0.000 0.237 394 R C 2.250 178.534 176.300 -0.026 0.000 1.137 394 R CA 1.956 58.041 56.100 -0.026 0.000 0.951 394 R CB -0.091 30.183 30.300 -0.044 0.000 0.851 394 R HN 0.189 nan 8.270 nan 0.000 0.434 395 E N 0.845 121.028 120.200 -0.028 0.000 2.051 395 E HA -0.217 4.134 4.350 0.001 0.000 0.192 395 E C 1.790 178.372 176.600 -0.030 0.000 0.991 395 E CA 1.795 58.173 56.400 -0.037 0.000 0.799 395 E CB -0.082 29.600 29.700 -0.030 0.000 0.748 395 E HN 0.303 nan 8.360 nan 0.000 0.449 396 K N -0.120 120.280 120.400 -0.000 0.000 2.283 396 K HA -0.112 4.209 4.320 0.001 0.000 0.202 396 K C 2.112 178.743 176.600 0.053 0.000 1.048 396 K CA 1.181 57.484 56.287 0.026 0.000 0.948 396 K CB -0.194 32.330 32.500 0.041 0.000 0.742 396 K HN 0.271 nan 8.250 nan 0.000 0.458 397 M N 0.364 119.989 119.600 0.041 0.000 2.229 397 M HA -0.035 4.446 4.480 0.001 0.000 0.264 397 M C 0.769 177.119 176.300 0.084 0.000 1.063 397 M CA 1.594 56.940 55.300 0.077 0.000 1.114 397 M CB -0.374 32.254 32.600 0.047 0.000 1.387 397 M HN 0.361 nan 8.290 nan 0.000 0.420 398 G N 0.560 109.324 108.800 -0.061 0.000 2.645 398 G HA2 -0.353 3.608 3.960 0.001 0.000 0.246 398 G HA3 -0.353 3.608 3.960 0.001 0.000 0.246 398 G C -0.004 174.725 174.900 -0.285 0.000 1.322 398 G CA 0.364 45.281 45.100 -0.305 0.000 0.898 398 G HN 0.590 nan 8.290 nan 0.000 0.573 399 E N -2.720 117.131 120.200 -0.581 0.000 2.820 399 E HA 0.311 4.662 4.350 0.001 0.000 0.210 399 E C 0.432 176.862 176.600 -0.282 0.000 1.005 399 E CA 0.222 56.447 56.400 -0.292 0.000 1.678 399 E CB 0.339 29.896 29.700 -0.240 0.000 2.013 399 E HN 0.971 nan 8.360 nan 0.000 1.011 400 F N 0.181 119.932 119.950 -0.330 0.000 3.027 400 F HA -0.289 4.239 4.527 0.001 0.000 0.276 400 F C 1.027 176.531 175.800 -0.493 0.000 0.967 400 F CA 0.404 58.089 58.000 -0.525 0.000 0.929 400 F CB -1.962 36.495 39.000 -0.906 0.000 0.873 400 F HN 0.211 nan 8.300 nan 0.000 0.787 401 A N 0.432 123.127 122.820 -0.208 0.000 1.940 401 A HA -0.226 4.094 4.320 0.001 0.000 0.219 401 A C 2.327 179.850 177.584 -0.103 0.000 1.176 401 A CA 1.825 53.782 52.037 -0.133 0.000 0.631 401 A CB -0.332 18.608 19.000 -0.099 0.000 0.814 401 A HN 0.630 nan 8.150 nan 0.000 0.446 402 E N 0.826 120.960 120.200 -0.110 0.000 2.110 402 E HA -0.177 4.174 4.350 0.001 0.000 0.193 402 E C 1.917 178.487 176.600 -0.051 0.000 0.988 402 E CA 1.429 57.790 56.400 -0.064 0.000 0.804 402 E CB -0.798 28.864 29.700 -0.062 0.000 0.745 402 E HN 0.627 nan 8.360 nan 0.000 0.458 403 L N 0.272 121.419 121.223 -0.126 0.000 2.109 403 L HA 0.028 4.368 4.340 0.001 0.000 0.207 403 L C 3.129 180.020 176.870 0.035 0.000 1.086 403 L CA 1.029 55.826 54.840 -0.072 0.000 0.760 403 L CB -0.531 41.411 42.059 -0.196 0.000 0.910 403 L HN 0.103 nan 8.230 nan 0.000 0.437 404 R N 0.799 121.253 120.500 -0.075 0.000 2.080 404 R HA -0.251 4.090 4.340 0.001 0.000 0.236 404 R C 1.945 178.316 176.300 0.119 0.000 1.137 404 R CA 2.456 58.650 56.100 0.157 0.000 0.943 404 R CB -0.272 30.071 30.300 0.071 0.000 0.846 404 R HN 0.316 nan 8.270 nan 0.000 0.431 405 D N -0.035 120.398 120.400 0.055 0.000 2.144 405 D HA -0.187 4.454 4.640 0.001 0.000 0.199 405 D C 2.007 178.354 176.300 0.079 0.000 0.984 405 D CA 1.018 55.053 54.000 0.059 0.000 0.834 405 D CB -0.036 40.787 40.800 0.038 0.000 0.955 405 D HN 0.211 nan 8.370 nan 0.000 0.465 406 L N 0.331 121.606 121.223 0.086 0.000 1.989 406 L HA -0.132 4.209 4.340 0.001 0.000 0.211 406 L C 2.059 178.959 176.870 0.049 0.000 1.071 406 L CA 1.743 56.645 54.840 0.104 0.000 0.749 406 L CB -0.708 41.419 42.059 0.113 0.000 0.890 406 L HN 0.200 nan 8.230 nan 0.000 0.431 407 L N -0.730 120.535 121.223 0.071 0.000 2.201 407 L HA -0.156 4.185 4.340 0.001 0.000 0.212 407 L C 2.464 179.344 176.870 0.016 0.000 1.105 407 L CA 1.144 56.005 54.840 0.034 0.000 0.775 407 L CB -0.658 41.458 42.059 0.094 0.000 0.913 407 L HN 0.418 nan 8.230 nan 0.000 0.440 408 E N 0.037 120.266 120.200 0.049 0.000 2.152 408 E HA -0.148 4.202 4.350 0.001 0.000 0.192 408 E C 2.220 178.835 176.600 0.025 0.000 0.983 408 E CA 0.730 57.155 56.400 0.042 0.000 0.818 408 E CB 0.094 29.829 29.700 0.060 0.000 0.758 408 E HN 0.451 nan 8.360 nan 0.000 0.467 409 R N -0.070 120.447 120.500 0.028 0.000 2.173 409 R HA 0.146 4.487 4.340 0.001 0.000 0.208 409 R C 2.077 178.330 176.300 -0.078 0.000 1.035 409 R CA 0.717 56.858 56.100 0.068 0.000 1.004 409 R CB 0.174 30.595 30.300 0.200 0.000 0.917 409 R HN 0.040 nan 8.270 nan 0.000 0.462 410 A N 0.980 123.579 122.820 -0.368 0.000 1.911 410 A HA 0.173 4.494 4.320 0.001 0.000 0.212 410 A C 1.032 178.391 177.584 -0.374 0.000 1.189 410 A CA 0.539 52.041 52.037 -0.891 0.000 0.639 410 A CB 0.284 18.721 19.000 -0.939 0.000 0.839 410 A HN 0.030 nan 8.150 nan 0.000 0.449 411 I N 1.471 121.938 120.570 -0.172 0.000 2.474 411 I HA 0.310 4.481 4.170 0.001 0.000 0.294 411 I C 0.173 176.274 176.117 -0.027 0.000 1.005 411 I CA -0.907 60.353 61.300 -0.066 0.000 1.113 411 I CB 1.706 39.694 38.000 -0.021 0.000 1.289 411 I HN 0.423 nan 8.210 nan 0.000 0.436 412 I N 1.019 121.583 120.570 -0.010 0.000 3.381 412 I HA 0.094 4.265 4.170 0.001 0.000 0.275 412 I C 0.777 176.896 176.117 0.004 0.000 1.252 412 I CA -0.033 61.267 61.300 0.001 0.000 1.292 412 I CB 0.402 38.403 38.000 0.002 0.000 1.396 412 I HN 0.485 nan 8.210 nan 0.000 0.637 413 D N 1.023 121.428 120.400 0.007 0.000 2.078 413 D HA -0.105 4.536 4.640 0.001 0.000 0.193 413 D C 0.959 177.258 176.300 -0.001 0.000 0.990 413 D CA 2.346 56.352 54.000 0.009 0.000 0.827 413 D CB -0.257 40.549 40.800 0.011 0.000 0.975 413 D HN 0.851 nan 8.370 nan 0.000 0.451 414 T N -0.515 114.034 114.554 -0.008 0.000 3.150 414 T HA 0.517 4.868 4.350 0.001 0.000 0.383 414 T C -2.838 171.852 174.700 -0.017 0.000 1.313 414 T CA -1.807 60.282 62.100 -0.017 0.000 1.235 414 T CB 1.839 70.693 68.868 -0.023 0.000 1.088 414 T HN -0.208 nan 8.240 nan 0.000 0.556 415 P HA 0.382 nan 4.420 nan 0.000 0.274 415 P C -2.388 174.896 177.300 -0.027 0.000 1.237 415 P CA -1.545 61.543 63.100 -0.019 0.000 0.793 415 P CB -0.016 31.679 31.700 -0.009 0.000 0.977 416 P HA -0.000 nan 4.420 nan 0.000 0.274 416 P C 0.895 178.170 177.300 -0.041 0.000 1.260 416 P CA -0.192 62.885 63.100 -0.039 0.000 0.793 416 P CB 0.566 32.238 31.700 -0.047 0.000 1.048 417 V N -0.482 119.410 119.914 -0.036 0.000 2.358 417 V HA -0.124 3.997 4.120 0.001 0.000 0.246 417 V C 1.351 177.419 176.094 -0.043 0.000 1.047 417 V CA 1.617 63.898 62.300 -0.031 0.000 1.035 417 V CB -0.729 31.080 31.823 -0.023 0.000 0.658 417 V HN 0.321 nan 8.190 nan 0.000 0.452 418 L N -1.140 120.047 121.223 -0.060 0.000 2.331 418 L HA 0.404 4.745 4.340 0.001 0.000 0.275 418 L C 0.982 177.759 176.870 -0.154 0.000 1.022 418 L CA -0.244 54.543 54.840 -0.089 0.000 0.812 418 L CB 1.901 43.922 42.059 -0.063 0.000 1.257 418 L HN -0.151 nan 8.230 nan 0.000 0.435 419 V N 2.415 122.176 119.914 -0.255 0.000 3.217 419 V HA -0.092 4.028 4.120 0.001 0.000 0.264 419 V C 2.428 178.379 176.094 -0.237 0.000 1.135 419 V CA 1.150 63.221 62.300 -0.382 0.000 1.142 419 V CB -0.523 30.824 31.823 -0.794 0.000 0.754 419 V HN 0.874 nan 8.190 nan 0.000 0.484 420 R N 0.251 120.655 120.500 -0.160 0.000 2.119 420 R HA -0.205 4.136 4.340 0.001 0.000 0.246 420 R C 1.353 177.602 176.300 -0.085 0.000 1.146 420 R CA 2.342 58.381 56.100 -0.103 0.000 0.962 420 R CB -0.212 30.050 30.300 -0.064 0.000 0.863 420 R HN 0.531 nan 8.270 nan 0.000 0.442 421 D N -0.650 119.702 120.400 -0.080 0.000 2.340 421 D HA 0.167 4.808 4.640 0.001 0.000 0.217 421 D C 0.738 176.999 176.300 -0.065 0.000 1.081 421 D CA 0.871 54.834 54.000 -0.062 0.000 0.842 421 D CB 0.669 41.441 40.800 -0.048 0.000 0.934 421 D HN 0.500 nan 8.370 nan 0.000 0.511 422 G N 0.630 109.378 108.800 -0.086 0.000 2.752 422 G HA2 -0.025 3.936 3.960 0.001 0.000 0.234 422 G HA3 -0.025 3.936 3.960 0.001 0.000 0.234 422 G C 0.769 175.634 174.900 -0.058 0.000 1.367 422 G CA 0.003 45.059 45.100 -0.073 0.000 0.879 422 G HN 0.818 nan 8.290 nan 0.000 0.563 423 G N -3.098 105.681 108.800 -0.036 0.000 2.198 423 G HA2 0.067 4.028 3.960 0.001 0.000 0.257 423 G HA3 0.067 4.028 3.960 0.001 0.000 0.257 423 G C 0.922 175.803 174.900 -0.032 0.000 1.042 423 G CA 1.174 46.258 45.100 -0.026 0.000 0.791 423 G HN 1.815 nan 8.290 nan 0.000 0.502 424 V N 0.013 119.903 119.914 -0.040 0.000 2.806 424 V HA 0.295 4.416 4.120 0.001 0.000 0.239 424 V C 1.601 177.690 176.094 -0.007 0.000 1.113 424 V CA 0.636 62.912 62.300 -0.039 0.000 1.137 424 V CB 0.007 31.772 31.823 -0.097 0.000 0.865 424 V HN 0.381 nan 8.190 nan 0.000 0.482 425 I N 1.814 122.388 120.570 0.008 0.000 2.496 425 I HA 0.318 4.488 4.170 0.001 0.000 0.285 425 I C 0.664 176.798 176.117 0.029 0.000 1.080 425 I CA -0.033 61.276 61.300 0.016 0.000 1.404 425 I CB 0.503 38.547 38.000 0.074 0.000 1.403 425 I HN 0.191 nan 8.210 nan 0.000 0.539 426 A N 5.538 128.365 122.820 0.012 0.000 2.371 426 A HA 0.402 4.723 4.320 0.001 0.000 0.257 426 A C 0.701 178.338 177.584 0.089 0.000 1.089 426 A CA -0.399 51.661 52.037 0.039 0.000 0.794 426 A CB 0.184 19.198 19.000 0.023 0.000 1.029 426 A HN 0.855 nan 8.150 nan 0.000 0.488 427 S N 0.998 116.743 115.700 0.074 0.000 2.573 427 S HA 0.449 4.919 4.470 0.001 0.000 0.277 427 S C 1.221 175.879 174.600 0.098 0.000 1.346 427 S CA 0.337 58.585 58.200 0.080 0.000 1.034 427 S CB 0.717 63.949 63.200 0.054 0.000 0.879 427 S HN 2.586 nan 8.310 nan 0.000 0.528 428 G N 1.057 109.913 108.800 0.092 0.000 2.225 428 G HA2 -0.345 3.616 3.960 0.001 0.000 0.254 428 G HA3 -0.345 3.616 3.960 0.001 0.000 0.254 428 G C 0.419 175.393 174.900 0.123 0.000 0.988 428 G CA 0.593 45.745 45.100 0.085 0.000 0.625 428 G HN 1.030 nan 8.290 nan 0.000 0.527 429 Y N 1.584 121.901 120.300 0.028 0.000 2.314 429 Y HA 0.307 4.858 4.550 0.001 0.000 0.294 429 Y C 1.055 176.974 175.900 0.031 0.000 1.119 429 Y CA 1.411 59.530 58.100 0.032 0.000 1.179 429 Y CB 0.452 38.936 38.460 0.040 0.000 1.025 429 Y HN 0.321 nan 8.280 nan 0.000 0.541 430 N N 0.495 119.198 118.700 0.005 0.000 2.480 430 N HA 0.032 4.773 4.740 0.001 0.000 0.289 430 N C 0.259 175.765 175.510 -0.007 0.000 1.073 430 N CA 0.007 53.018 53.050 -0.065 0.000 0.885 430 N CB 1.429 39.923 38.487 0.012 0.000 1.421 430 N HN 0.399 nan 8.380 nan 0.000 0.503 431 E N 2.510 122.686 120.200 -0.039 0.000 2.058 431 E HA -0.251 4.099 4.350 0.001 0.000 0.194 431 E C 1.183 177.757 176.600 -0.043 0.000 0.997 431 E CA 1.490 57.867 56.400 -0.037 0.000 0.801 431 E CB 0.162 29.831 29.700 -0.052 0.000 0.746 431 E HN 0.740 nan 8.360 nan 0.000 0.450 432 E N 0.024 120.206 120.200 -0.030 0.000 2.058 432 E HA -0.238 4.112 4.350 0.001 0.000 0.194 432 E C 2.243 178.866 176.600 0.038 0.000 0.997 432 E CA 1.180 57.560 56.400 -0.035 0.000 0.801 432 E CB -0.152 29.584 29.700 0.060 0.000 0.746 432 E HN 0.264 nan 8.360 nan 0.000 0.450 433 L N 1.794 123.094 121.223 0.128 0.000 1.990 433 L HA -0.233 4.108 4.340 0.001 0.000 0.213 433 L C 1.686 178.633 176.870 0.128 0.000 1.072 433 L CA 2.260 57.213 54.840 0.187 0.000 0.755 433 L CB -0.618 41.535 42.059 0.157 0.000 0.889 433 L HN 0.120 nan 8.230 nan 0.000 0.432 434 D N -0.401 120.036 120.400 0.061 0.000 2.158 434 D HA -0.207 4.434 4.640 0.001 0.000 0.197 434 D C 2.120 178.415 176.300 -0.008 0.000 0.995 434 D CA 1.495 55.514 54.000 0.032 0.000 0.846 434 D CB -0.045 40.763 40.800 0.014 0.000 0.941 434 D HN 0.569 nan 8.370 nan 0.000 0.456 435 E N -0.640 119.506 120.200 -0.089 0.000 2.072 435 E HA -0.135 4.215 4.350 0.001 0.000 0.191 435 E C 2.124 178.600 176.600 -0.207 0.000 0.985 435 E CA 0.652 56.921 56.400 -0.218 0.000 0.801 435 E CB -0.176 29.285 29.700 -0.399 0.000 0.750 435 E HN 0.438 nan 8.360 nan 0.000 0.452 436 W N 0.907 122.208 121.300 0.001 0.000 2.402 436 W HA -0.067 4.593 4.660 0.001 0.000 0.286 436 W C 2.441 178.960 176.519 0.000 0.000 1.221 436 W CA 0.345 57.689 57.345 -0.001 0.000 1.257 436 W CB 0.041 29.501 29.460 -0.001 0.000 1.120 436 W HN -0.046 nan 8.180 nan 0.000 0.551 437 R N -0.046 120.576 120.500 0.203 0.000 2.090 437 R HA -0.044 4.296 4.340 0.001 0.000 0.228 437 R C 2.397 178.745 176.300 0.080 0.000 1.110 437 R CA 1.281 57.456 56.100 0.124 0.000 0.973 437 R CB -0.774 29.581 30.300 0.092 0.000 0.869 437 R HN 0.117 nan 8.270 nan 0.000 0.440 438 A N 1.384 124.233 122.820 0.048 0.000 1.902 438 A HA -0.137 4.184 4.320 0.001 0.000 0.217 438 A C 2.152 179.755 177.584 0.033 0.000 1.181 438 A CA 1.142 53.194 52.037 0.023 0.000 0.623 438 A CB -0.574 18.420 19.000 -0.011 0.000 0.818 438 A HN 0.158 nan 8.150 nan 0.000 0.443 439 L N -0.790 120.455 121.223 0.037 0.000 1.989 439 L HA -0.246 4.095 4.340 0.001 0.000 0.211 439 L C 3.151 180.076 176.870 0.092 0.000 1.071 439 L CA 1.314 56.190 54.840 0.061 0.000 0.749 439 L CB -0.750 41.367 42.059 0.097 0.000 0.890 439 L HN 0.455 nan 8.230 nan 0.000 0.431 440 A N -0.248 122.645 122.820 0.121 0.000 1.948 440 A HA -0.259 4.062 4.320 0.001 0.000 0.220 440 A C 1.907 179.534 177.584 0.073 0.000 1.177 440 A CA 2.215 54.309 52.037 0.096 0.000 0.636 440 A CB -0.529 18.526 19.000 0.091 0.000 0.815 440 A HN 0.399 nan 8.150 nan 0.000 0.449 441 D N -0.662 119.777 120.400 0.065 0.000 2.123 441 D HA -0.024 4.617 4.640 0.001 0.000 0.200 441 D C 2.150 178.486 176.300 0.060 0.000 0.976 441 D CA 1.361 55.392 54.000 0.052 0.000 0.831 441 D CB -0.725 40.100 40.800 0.041 0.000 0.974 441 D HN 0.409 nan 8.370 nan 0.000 0.469 442 G N 0.815 109.654 108.800 0.066 0.000 2.422 442 G HA2 -0.190 3.771 3.960 0.001 0.000 0.218 442 G HA3 -0.190 3.771 3.960 0.001 0.000 0.218 442 G C 1.701 176.682 174.900 0.134 0.000 1.146 442 G CA 1.220 46.371 45.100 0.086 0.000 0.769 442 G HN 0.381 nan 8.290 nan 0.000 0.547 443 A N 0.897 123.797 122.820 0.133 0.000 1.877 443 A HA -0.067 4.254 4.320 0.001 0.000 0.216 443 A C 2.681 180.345 177.584 0.133 0.000 1.186 443 A CA 2.885 55.038 52.037 0.193 0.000 0.620 443 A CB -1.209 17.866 19.000 0.125 0.000 0.822 443 A HN 0.573 nan 8.150 nan 0.000 0.443 444 T N -2.423 112.176 114.554 0.075 0.000 2.867 444 T HA -0.133 4.218 4.350 0.001 0.000 0.268 444 T C 1.299 176.020 174.700 0.034 0.000 1.057 444 T CA 1.551 63.676 62.100 0.042 0.000 1.136 444 T CB -0.447 68.452 68.868 0.051 0.000 0.874 444 T HN 0.355 nan 8.240 nan 0.000 0.466 445 D N 0.220 120.651 120.400 0.051 0.000 2.117 445 D HA -0.044 4.597 4.640 0.001 0.000 0.198 445 D C 1.632 177.937 176.300 0.007 0.000 0.982 445 D CA 1.011 55.028 54.000 0.029 0.000 0.828 445 D CB -0.555 40.269 40.800 0.040 0.000 0.967 445 D HN 0.529 nan 8.370 nan 0.000 0.464 446 Y N 1.328 121.568 120.300 -0.101 0.000 2.181 446 Y HA -0.142 4.409 4.550 0.001 0.000 0.288 446 Y C 2.185 177.921 175.900 -0.273 0.000 1.146 446 Y CA 1.245 59.214 58.100 -0.218 0.000 1.164 446 Y CB -0.293 37.956 38.460 -0.352 0.000 0.982 446 Y HN -0.096 nan 8.280 nan 0.000 0.515 447 L N -0.078 121.103 121.223 -0.071 0.000 2.046 447 L HA -0.217 4.124 4.340 0.001 0.000 0.208 447 L C 2.338 179.128 176.870 -0.132 0.000 1.077 447 L CA 1.735 56.491 54.840 -0.141 0.000 0.747 447 L CB -0.545 41.408 42.059 -0.176 0.000 0.896 447 L HN 0.251 nan 8.230 nan 0.000 0.432 448 E N -0.084 120.064 120.200 -0.087 0.000 2.118 448 E HA -0.240 4.110 4.350 0.001 0.000 0.195 448 E C 2.306 178.837 176.600 -0.116 0.000 0.992 448 E CA 1.151 57.510 56.400 -0.070 0.000 0.804 448 E CB -0.047 29.629 29.700 -0.040 0.000 0.741 448 E HN 0.455 nan 8.360 nan 0.000 0.458 449 R N 0.321 120.708 120.500 -0.189 0.000 2.119 449 R HA 0.014 4.355 4.340 0.001 0.000 0.222 449 R C 2.552 178.677 176.300 -0.291 0.000 1.088 449 R CA 0.375 56.334 56.100 -0.234 0.000 0.984 449 R CB -0.239 29.887 30.300 -0.290 0.000 0.884 449 R HN 0.194 nan 8.270 nan 0.000 0.447 450 L N 1.450 122.445 121.223 -0.379 0.000 2.017 450 L HA -0.193 4.148 4.340 0.001 0.000 0.208 450 L C 2.487 179.265 176.870 -0.153 0.000 1.073 450 L CA 1.711 56.362 54.840 -0.315 0.000 0.745 450 L CB -0.259 41.616 42.059 -0.307 0.000 0.894 450 L HN 0.212 nan 8.230 nan 0.000 0.432 451 E N -0.425 119.709 120.200 -0.111 0.000 2.065 451 E HA -0.263 4.087 4.350 0.001 0.000 0.201 451 E C 2.037 178.611 176.600 -0.044 0.000 1.016 451 E CA 2.513 58.884 56.400 -0.048 0.000 0.818 451 E CB -0.143 29.541 29.700 -0.027 0.000 0.749 451 E HN 0.443 nan 8.360 nan 0.000 0.453 452 V N 1.320 121.194 119.914 -0.066 0.000 2.255 452 V HA -0.302 3.819 4.120 0.001 0.000 0.247 452 V C 2.717 178.776 176.094 -0.059 0.000 1.051 452 V CA 2.367 64.633 62.300 -0.056 0.000 1.018 452 V CB -0.826 30.958 31.823 -0.065 0.000 0.641 452 V HN 0.367 nan 8.190 nan 0.000 0.445 453 R N 0.146 120.593 120.500 -0.088 0.000 2.096 453 R HA -0.215 4.126 4.340 0.001 0.000 0.240 453 R C 2.233 178.506 176.300 -0.044 0.000 1.139 453 R CA 2.027 58.081 56.100 -0.078 0.000 0.952 453 R CB -0.306 29.924 30.300 -0.117 0.000 0.854 453 R HN 0.482 nan 8.270 nan 0.000 0.436 454 E N 0.322 120.505 120.200 -0.027 0.000 2.150 454 E HA -0.190 4.161 4.350 0.001 0.000 0.193 454 E C 1.999 178.610 176.600 0.018 0.000 0.985 454 E CA 0.918 57.333 56.400 0.025 0.000 0.814 454 E CB -0.205 29.546 29.700 0.085 0.000 0.752 454 E HN 0.413 nan 8.360 nan 0.000 0.466 455 R N 1.064 121.567 120.500 0.005 0.000 2.062 455 R HA -0.104 4.237 4.340 0.001 0.000 0.231 455 R C 2.098 178.389 176.300 -0.016 0.000 1.136 455 R CA 1.394 57.494 56.100 0.001 0.000 0.948 455 R CB 0.047 30.349 30.300 0.003 0.000 0.845 455 R HN 0.112 nan 8.270 nan 0.000 0.430 456 E N -0.128 120.059 120.200 -0.022 0.000 2.085 456 E HA -0.253 4.098 4.350 0.001 0.000 0.194 456 E C 2.150 178.731 176.600 -0.031 0.000 0.994 456 E CA 1.187 57.572 56.400 -0.026 0.000 0.801 456 E CB -0.121 29.562 29.700 -0.028 0.000 0.743 456 E HN 0.278 nan 8.360 nan 0.000 0.453 457 R N 0.568 121.049 120.500 -0.032 0.000 2.075 457 R HA -0.115 4.226 4.340 0.001 0.000 0.232 457 R C 2.451 178.717 176.300 -0.056 0.000 1.126 457 R CA 1.914 57.991 56.100 -0.038 0.000 0.963 457 R CB -0.165 30.116 30.300 -0.032 0.000 0.858 457 R HN 0.257 nan 8.270 nan 0.000 0.435 458 T N -3.655 110.860 114.554 -0.065 0.000 3.014 458 T HA 0.127 4.478 4.350 0.001 0.000 0.263 458 T C 1.392 176.043 174.700 -0.082 0.000 1.078 458 T CA 0.728 62.767 62.100 -0.102 0.000 1.135 458 T CB 0.148 68.933 68.868 -0.139 0.000 0.895 458 T HN 0.425 nan 8.240 nan 0.000 0.480 459 G N 1.401 110.168 108.800 -0.055 0.000 2.147 459 G HA2 -0.190 3.770 3.960 0.001 0.000 0.244 459 G HA3 -0.190 3.770 3.960 0.001 0.000 0.244 459 G C -0.099 174.776 174.900 -0.041 0.000 1.005 459 G CA 0.162 45.236 45.100 -0.043 0.000 0.713 459 G HN 0.646 nan 8.290 nan 0.000 0.515 460 L N 1.471 122.668 121.223 -0.042 0.000 2.264 460 L HA 0.336 4.676 4.340 0.001 0.000 0.287 460 L C 1.178 178.045 176.870 -0.005 0.000 1.039 460 L CA -0.421 54.400 54.840 -0.032 0.000 0.829 460 L CB 1.089 43.120 42.059 -0.046 0.000 1.211 460 L HN 0.272 nan 8.230 nan 0.000 0.427 461 D N -0.426 119.974 120.400 -0.001 0.000 2.371 461 D HA -0.155 4.486 4.640 0.001 0.000 0.221 461 D C 1.552 177.864 176.300 0.019 0.000 0.986 461 D CA 0.935 54.939 54.000 0.007 0.000 0.899 461 D CB -0.063 40.740 40.800 0.005 0.000 0.902 461 D HN 0.551 nan 8.370 nan 0.000 0.530 462 T N -2.225 112.345 114.554 0.027 0.000 3.100 462 T HA 0.090 4.441 4.350 0.001 0.000 0.253 462 T C 0.904 175.640 174.700 0.060 0.000 1.118 462 T CA -0.616 61.509 62.100 0.042 0.000 1.058 462 T CB -0.515 68.381 68.868 0.046 0.000 0.953 462 T HN 0.173 nan 8.240 nan 0.000 0.515 463 L N 1.932 123.189 121.223 0.057 0.000 2.513 463 L HA 0.318 4.658 4.340 0.001 0.000 0.272 463 L C -0.468 176.450 176.870 0.080 0.000 1.187 463 L CA 0.242 55.132 54.840 0.084 0.000 0.895 463 L CB 0.175 42.280 42.059 0.077 0.000 1.147 463 L HN 0.206 nan 8.230 nan 0.000 0.483 464 K N 3.536 124.001 120.400 0.108 0.000 2.508 464 K HA 0.553 4.873 4.320 0.001 0.000 0.260 464 K C -1.482 175.180 176.600 0.102 0.000 0.949 464 K CA -0.888 55.454 56.287 0.092 0.000 0.834 464 K CB 2.436 34.995 32.500 0.098 0.000 1.365 464 K HN 0.232 nan 8.250 nan 0.000 0.437 465 V N 1.522 121.468 119.914 0.053 0.000 2.481 465 V HA 0.687 4.808 4.120 0.001 0.000 0.286 465 V C 0.357 176.412 176.094 -0.064 0.000 1.042 465 V CA -0.206 62.103 62.300 0.015 0.000 0.928 465 V CB 1.355 33.194 31.823 0.026 0.000 0.986 465 V HN 0.963 nan 8.190 nan 0.000 0.462 466 G N 2.736 111.304 108.800 -0.387 0.000 2.866 466 G HA2 0.766 4.727 3.960 0.001 0.000 0.289 466 G HA3 0.766 4.727 3.960 0.001 0.000 0.289 466 G C -1.983 172.387 174.900 -0.883 0.000 1.396 466 G CA -0.537 44.213 45.100 -0.584 0.000 0.848 466 G HN 0.505 nan 8.290 nan 0.000 0.515 467 F N 1.066 120.595 119.950 -0.701 0.000 2.596 467 F HA 0.625 5.153 4.527 0.001 0.000 0.311 467 F C -0.927 174.808 175.800 -0.108 0.000 1.116 467 F CA -0.807 56.868 58.000 -0.541 0.000 0.957 467 F CB 2.282 40.859 39.000 -0.704 0.000 1.250 467 F HN 0.848 nan 8.300 nan 0.000 0.444 468 N N 3.503 121.754 118.700 -0.748 0.000 2.853 468 N HA 0.628 5.369 4.740 0.001 0.000 0.258 468 N C -0.445 174.633 175.510 -0.719 0.000 1.444 468 N CA -0.276 52.489 53.050 -0.474 0.000 0.837 468 N CB 1.098 39.550 38.487 -0.058 0.000 1.489 468 N HN 0.606 nan 8.380 nan 0.000 0.529 469 A N 0.243 122.872 122.820 -0.317 0.000 1.845 469 A HA -0.040 4.281 4.320 0.001 0.000 0.215 469 A C 1.870 179.320 177.584 -0.223 0.000 1.195 469 A CA 2.220 54.122 52.037 -0.225 0.000 0.616 469 A CB -1.304 17.640 19.000 -0.094 0.000 0.832 469 A HN 0.469 nan 8.150 nan 0.000 0.443 470 V N -0.410 119.391 119.914 -0.189 0.000 2.250 470 V HA -0.324 3.797 4.120 0.001 0.000 0.250 470 V C 2.231 178.114 176.094 -0.353 0.000 1.060 470 V CA 2.666 64.809 62.300 -0.262 0.000 1.030 470 V CB -0.982 30.678 31.823 -0.272 0.000 0.643 470 V HN 0.780 nan 8.190 nan 0.000 0.445 471 H N -1.440 117.543 119.070 -0.145 0.000 2.705 471 H HA 0.443 5.000 4.556 0.001 0.000 0.269 471 H C 1.349 176.617 175.328 -0.100 0.000 0.998 471 H CA 0.439 56.434 56.048 -0.088 0.000 1.193 471 H CB 0.497 30.226 29.762 -0.056 0.000 1.485 471 H HN 0.557 nan 8.280 nan 0.000 0.521 472 G N 0.617 109.276 108.800 -0.235 0.000 2.566 472 G HA2 -0.365 3.596 3.960 0.001 0.000 0.280 472 G HA3 -0.365 3.596 3.960 0.001 0.000 0.280 472 G C -0.481 174.227 174.900 -0.320 0.000 1.225 472 G CA -0.005 44.837 45.100 -0.430 0.000 0.966 472 G HN 0.316 nan 8.290 nan 0.000 0.560 473 Y N 1.299 121.628 120.300 0.048 0.000 2.411 473 Y HA 0.542 5.093 4.550 0.001 0.000 0.333 473 Y C 0.825 176.751 175.900 0.043 0.000 1.186 473 Y CA 1.138 59.266 58.100 0.046 0.000 1.381 473 Y CB 0.791 39.333 38.460 0.137 0.000 1.273 473 Y HN 0.756 nan 8.280 nan 0.000 0.546 474 Y N -0.360 120.058 120.300 0.198 0.000 2.638 474 Y HA 0.713 5.264 4.550 0.001 0.000 0.335 474 Y C -1.679 174.268 175.900 0.079 0.000 1.155 474 Y CA -2.345 55.805 58.100 0.083 0.000 1.046 474 Y CB 0.683 39.137 38.460 -0.010 0.000 1.303 474 Y HN 0.358 nan 8.280 nan 0.000 0.460 475 I N 2.760 123.514 120.570 0.307 0.000 2.330 475 I HA 0.306 4.476 4.170 0.001 0.000 0.289 475 I C -0.403 175.943 176.117 0.382 0.000 1.001 475 I CA -0.550 60.894 61.300 0.239 0.000 1.193 475 I CB 1.603 39.604 38.000 0.003 0.000 1.345 475 I HN 0.640 nan 8.210 nan 0.000 0.461 476 Q N 6.941 126.961 119.800 0.368 0.000 2.256 476 Q HA 0.660 5.001 4.340 0.001 0.000 0.257 476 Q C -1.300 174.847 176.000 0.245 0.000 0.936 476 Q CA -0.548 55.421 55.803 0.276 0.000 0.903 476 Q CB 1.656 30.543 28.738 0.248 0.000 1.263 476 Q HN 0.596 nan 8.270 nan 0.000 0.440 477 I N 2.362 123.087 120.570 0.259 0.000 2.545 477 I HA 0.238 4.409 4.170 0.001 0.000 0.292 477 I C 0.049 176.250 176.117 0.140 0.000 1.040 477 I CA -0.907 60.517 61.300 0.208 0.000 1.068 477 I CB 2.226 40.382 38.000 0.261 0.000 1.251 477 I HN 0.719 nan 8.210 nan 0.000 0.424 478 S N 5.151 120.908 115.700 0.094 0.000 2.573 478 S HA 0.098 4.569 4.470 0.001 0.000 0.277 478 S C 1.223 175.868 174.600 0.075 0.000 1.346 478 S CA -0.226 58.014 58.200 0.067 0.000 1.034 478 S CB 1.084 64.316 63.200 0.054 0.000 0.879 478 S HN 0.829 nan 8.310 nan 0.000 0.528 479 R N 1.866 122.401 120.500 0.057 0.000 2.103 479 R HA -0.124 4.217 4.340 0.001 0.000 0.242 479 R C 2.251 178.609 176.300 0.096 0.000 1.142 479 R CA 1.871 58.009 56.100 0.064 0.000 0.960 479 R CB -1.327 28.996 30.300 0.038 0.000 0.858 479 R HN 0.892 nan 8.270 nan 0.000 0.439 480 G N -0.480 108.371 108.800 0.086 0.000 2.471 480 G HA2 -0.224 3.736 3.960 0.001 0.000 0.219 480 G HA3 -0.224 3.736 3.960 0.001 0.000 0.219 480 G C 1.107 176.108 174.900 0.168 0.000 1.125 480 G CA 0.399 45.566 45.100 0.112 0.000 0.775 480 G HN 0.446 nan 8.290 nan 0.000 0.548 481 Q N 0.088 119.946 119.800 0.097 0.000 2.350 481 Q HA 0.047 4.388 4.340 0.001 0.000 0.225 481 Q C 2.682 178.631 176.000 -0.084 0.000 0.878 481 Q CA 0.533 56.331 55.803 -0.009 0.000 0.935 481 Q CB 0.409 29.137 28.738 -0.017 0.000 1.099 481 Q HN 0.557 nan 8.270 nan 0.000 0.527 482 S N 1.199 116.939 115.700 0.067 0.000 2.419 482 S HA -0.232 4.239 4.470 0.001 0.000 0.235 482 S C 1.848 176.494 174.600 0.078 0.000 1.019 482 S CA 1.480 59.759 58.200 0.133 0.000 0.982 482 S CB -0.647 62.684 63.200 0.219 0.000 0.789 482 S HN 0.593 nan 8.310 nan 0.000 0.490 483 H N 1.100 120.202 119.070 0.054 0.000 2.524 483 H HA 0.186 4.743 4.556 0.001 0.000 0.282 483 H C 1.563 176.884 175.328 -0.012 0.000 1.016 483 H CA 0.853 56.917 56.048 0.028 0.000 1.270 483 H CB -0.422 29.351 29.762 0.018 0.000 1.394 483 H HN 0.457 nan 8.280 nan 0.000 0.568 484 L N 1.285 122.089 121.223 -0.700 0.000 2.592 484 L HA 0.306 4.647 4.340 0.001 0.000 0.227 484 L C 1.163 177.834 176.870 -0.331 0.000 1.127 484 L CA -0.138 54.413 54.840 -0.483 0.000 0.884 484 L CB -0.069 41.685 42.059 -0.507 0.000 1.065 484 L HN 0.175 nan 8.230 nan 0.000 0.457 485 A N 1.358 123.996 122.820 -0.304 0.000 2.587 485 A HA 0.210 4.531 4.320 0.001 0.000 0.235 485 A C -2.073 175.223 177.584 -0.480 0.000 1.044 485 A CA -0.717 51.042 52.037 -0.462 0.000 0.754 485 A CB -0.628 18.096 19.000 -0.461 0.000 0.968 485 A HN 0.015 nan 8.150 nan 0.000 0.509 486 P HA 0.109 nan 4.420 nan 0.000 0.271 486 P C 1.014 178.103 177.300 -0.352 0.000 1.218 486 P CA -0.411 62.366 63.100 -0.539 0.000 0.780 486 P CB 0.523 31.797 31.700 -0.710 0.000 0.901 487 I N 2.289 122.760 120.570 -0.165 0.000 2.567 487 I HA -0.247 3.923 4.170 0.001 0.000 0.257 487 I C 1.493 177.619 176.117 0.014 0.000 1.184 487 I CA 1.324 62.591 61.300 -0.056 0.000 1.451 487 I CB -0.078 37.905 38.000 -0.029 0.000 1.089 487 I HN 0.340 nan 8.210 nan 0.000 0.441 488 N N 0.042 118.761 118.700 0.033 0.000 2.459 488 N HA -0.226 4.515 4.740 0.001 0.000 0.181 488 N C 0.237 175.895 175.510 0.245 0.000 1.046 488 N CA 0.603 53.729 53.050 0.127 0.000 0.904 488 N CB -0.735 37.830 38.487 0.128 0.000 0.964 488 N HN 0.240 nan 8.380 nan 0.000 0.444 489 Y N 1.759 122.032 120.300 -0.045 0.000 2.605 489 Y HA 0.111 4.662 4.550 0.001 0.000 0.336 489 Y C 0.929 176.906 175.900 0.130 0.000 1.111 489 Y CA -0.773 57.309 58.100 -0.031 0.000 1.422 489 Y CB 0.101 38.346 38.460 -0.358 0.000 1.193 489 Y HN -0.052 nan 8.280 nan 0.000 0.526 490 M N 4.788 124.545 119.600 0.261 0.000 2.105 490 M HA 0.219 4.700 4.480 0.001 0.000 0.350 490 M C 0.411 176.865 176.300 0.257 0.000 1.308 490 M CA -0.104 55.328 55.300 0.220 0.000 1.108 490 M CB 0.407 33.084 32.600 0.129 0.000 1.622 490 M HN 0.543 nan 8.290 nan 0.000 0.468 491 R N 2.306 122.945 120.500 0.231 0.000 2.491 491 R HA 0.167 4.508 4.340 0.001 0.000 0.283 491 R C 0.650 176.893 176.300 -0.096 0.000 1.072 491 R CA 0.073 56.154 56.100 -0.032 0.000 1.048 491 R CB 0.829 31.089 30.300 -0.066 0.000 0.983 491 R HN 0.560 nan 8.270 nan 0.000 0.450 492 R N 1.566 121.928 120.500 -0.229 0.000 2.507 492 R HA 0.133 4.474 4.340 0.001 0.000 0.230 492 R C -0.332 175.766 176.300 -0.337 0.000 0.897 492 R CA 0.247 56.227 56.100 -0.199 0.000 1.006 492 R CB 0.812 31.016 30.300 -0.160 0.000 1.341 492 R HN 0.635 nan 8.270 nan 0.000 0.604 493 Q N 0.519 120.055 119.800 -0.441 0.000 2.331 493 Q HA 0.236 4.576 4.340 0.001 0.000 0.249 493 Q C -1.523 174.275 176.000 -0.337 0.000 0.913 493 Q CA -0.057 55.497 55.803 -0.415 0.000 0.874 493 Q CB 2.056 30.399 28.738 -0.657 0.000 1.384 493 Q HN -0.103 nan 8.270 nan 0.000 0.427 494 T N 3.945 118.367 114.554 -0.220 0.000 2.806 494 T HA 0.463 4.814 4.350 0.001 0.000 0.290 494 T C -0.381 174.234 174.700 -0.142 0.000 0.966 494 T CA -0.249 61.746 62.100 -0.174 0.000 1.060 494 T CB 0.425 69.224 68.868 -0.114 0.000 0.927 494 T HN 0.314 nan 8.240 nan 0.000 0.485 495 L N 2.511 123.654 121.223 -0.133 0.000 2.298 495 L HA 0.523 4.863 4.340 0.001 0.000 0.268 495 L C 1.798 178.630 176.870 -0.063 0.000 1.010 495 L CA -0.511 54.270 54.840 -0.098 0.000 0.812 495 L CB 0.813 42.807 42.059 -0.107 0.000 1.331 495 L HN 0.521 nan 8.230 nan 0.000 0.450 496 K N 0.301 120.673 120.400 -0.046 0.000 2.113 496 K HA -0.193 4.128 4.320 0.001 0.000 0.208 496 K C 0.567 177.155 176.600 -0.021 0.000 1.047 496 K CA 2.036 58.306 56.287 -0.029 0.000 0.928 496 K CB 0.098 32.584 32.500 -0.022 0.000 0.716 496 K HN 0.576 nan 8.250 nan 0.000 0.446 497 N N -0.851 117.837 118.700 -0.020 0.000 2.377 497 N HA 0.242 4.982 4.740 0.001 0.000 0.259 497 N C -1.767 173.741 175.510 -0.003 0.000 1.332 497 N CA 0.007 53.053 53.050 -0.006 0.000 0.877 497 N CB 1.593 40.081 38.487 0.001 0.000 1.299 497 N HN 0.264 nan 8.380 nan 0.000 0.501 498 A N -0.499 122.307 122.820 -0.023 0.000 2.612 498 A HA 0.675 4.996 4.320 0.001 0.000 0.293 498 A C -1.515 176.025 177.584 -0.073 0.000 1.075 498 A CA -0.685 51.339 52.037 -0.022 0.000 0.680 498 A CB 1.294 20.280 19.000 -0.025 0.000 1.279 498 A HN 0.072 nan 8.150 nan 0.000 0.411 499 E N 0.671 120.831 120.200 -0.068 0.000 2.238 499 E HA 0.545 4.895 4.350 0.001 0.000 0.267 499 E C -0.977 175.408 176.600 -0.360 0.000 0.887 499 E CA -0.585 55.665 56.400 -0.250 0.000 0.769 499 E CB 2.220 31.764 29.700 -0.260 0.000 1.187 499 E HN 0.571 nan 8.360 nan 0.000 0.416 500 R N 1.869 122.027 120.500 -0.569 0.000 2.494 500 R HA 0.507 4.848 4.340 0.001 0.000 0.305 500 R C -0.903 175.058 176.300 -0.564 0.000 0.959 500 R CA -0.618 55.198 56.100 -0.473 0.000 0.864 500 R CB 1.219 31.145 30.300 -0.623 0.000 1.159 500 R HN 0.431 nan 8.270 nan 0.000 0.446 501 Y N 2.341 122.610 120.300 -0.052 0.000 2.562 501 Y HA 0.548 5.099 4.550 0.001 0.000 0.343 501 Y C 0.405 176.265 175.900 -0.066 0.000 1.025 501 Y CA -1.257 56.807 58.100 -0.060 0.000 1.082 501 Y CB 1.600 40.017 38.460 -0.072 0.000 1.264 501 Y HN 0.442 nan 8.280 nan 0.000 0.478 502 I N 1.773 122.406 120.570 0.104 0.000 2.797 502 I HA 0.842 5.013 4.170 0.001 0.000 0.307 502 I C -0.904 175.219 176.117 0.009 0.000 1.033 502 I CA -1.184 60.153 61.300 0.060 0.000 1.071 502 I CB 2.428 40.485 38.000 0.096 0.000 1.255 502 I HN 0.678 nan 8.210 nan 0.000 0.445 503 I N 0.301 120.864 120.570 -0.012 0.000 2.969 503 I HA 0.581 4.752 4.170 0.001 0.000 0.307 503 I C -2.453 173.693 176.117 0.047 0.000 1.149 503 I CA -2.207 59.097 61.300 0.008 0.000 1.008 503 I CB 2.078 40.057 38.000 -0.035 0.000 1.232 503 I HN 0.273 nan 8.210 nan 0.000 0.435 504 P HA -0.209 nan 4.420 nan 0.000 0.216 504 P C 1.296 178.649 177.300 0.089 0.000 1.154 504 P CA 1.585 64.726 63.100 0.068 0.000 0.865 504 P CB 0.179 31.917 31.700 0.063 0.000 0.789 505 E N -0.995 119.266 120.200 0.103 0.000 2.110 505 E HA -0.199 4.151 4.350 0.001 0.000 0.193 505 E C 1.861 178.568 176.600 0.178 0.000 0.988 505 E CA 0.749 57.245 56.400 0.161 0.000 0.804 505 E CB -0.461 29.327 29.700 0.147 0.000 0.745 505 E HN 0.032 nan 8.360 nan 0.000 0.458 506 L N 1.148 122.432 121.223 0.102 0.000 2.005 506 L HA -0.170 4.171 4.340 0.001 0.000 0.207 506 L C 2.117 179.053 176.870 0.109 0.000 1.072 506 L CA 1.686 56.575 54.840 0.081 0.000 0.744 506 L CB -0.230 41.867 42.059 0.063 0.000 0.895 506 L HN -0.059 nan 8.230 nan 0.000 0.433 507 K N -0.245 120.225 120.400 0.116 0.000 2.209 507 K HA -0.200 4.121 4.320 0.001 0.000 0.204 507 K C 1.964 178.616 176.600 0.087 0.000 1.048 507 K CA 1.215 57.573 56.287 0.118 0.000 0.940 507 K CB -0.329 32.230 32.500 0.099 0.000 0.729 507 K HN 0.540 nan 8.250 nan 0.000 0.451 508 E N -0.174 120.075 120.200 0.082 0.000 2.038 508 E HA -0.199 4.152 4.350 0.001 0.000 0.195 508 E C 1.339 177.887 176.600 -0.086 0.000 1.000 508 E CA 1.269 57.667 56.400 -0.003 0.000 0.803 508 E CB -0.087 29.611 29.700 -0.004 0.000 0.750 508 E HN 0.315 nan 8.360 nan 0.000 0.448 509 Y N 0.795 121.034 120.300 -0.102 0.000 2.561 509 Y HA -0.010 4.541 4.550 0.001 0.000 0.291 509 Y C 2.205 178.012 175.900 -0.154 0.000 1.141 509 Y CA 1.075 59.083 58.100 -0.153 0.000 1.303 509 Y CB -0.090 38.258 38.460 -0.186 0.000 1.015 509 Y HN 0.234 nan 8.280 nan 0.000 0.547 510 E N 0.650 120.866 120.200 0.026 0.000 2.031 510 E HA -0.237 4.113 4.350 0.001 0.000 0.193 510 E C 1.366 178.060 176.600 0.157 0.000 0.994 510 E CA 1.756 58.256 56.400 0.166 0.000 0.800 510 E CB -0.011 29.899 29.700 0.350 0.000 0.752 510 E HN 0.333 nan 8.360 nan 0.000 0.447 511 D N 0.631 121.080 120.400 0.082 0.000 2.133 511 D HA -0.186 4.455 4.640 0.001 0.000 0.195 511 D C 1.888 178.195 176.300 0.011 0.000 0.997 511 D CA 1.190 55.214 54.000 0.040 0.000 0.840 511 D CB -0.162 40.637 40.800 -0.001 0.000 0.947 511 D HN 0.236 nan 8.370 nan 0.000 0.452 512 K N 0.376 120.754 120.400 -0.037 0.000 1.991 512 K HA -0.110 4.211 4.320 0.001 0.000 0.212 512 K C 2.292 178.909 176.600 0.028 0.000 1.049 512 K CA 0.890 57.152 56.287 -0.041 0.000 0.932 512 K CB -0.463 31.952 32.500 -0.142 0.000 0.717 512 K HN -0.004 nan 8.250 nan 0.000 0.441 513 V N 2.266 122.210 119.914 0.051 0.000 2.252 513 V HA -0.286 3.834 4.120 0.001 0.000 0.249 513 V C 2.355 178.489 176.094 0.067 0.000 1.056 513 V CA 1.859 64.207 62.300 0.079 0.000 1.022 513 V CB -0.513 31.393 31.823 0.139 0.000 0.641 513 V HN 0.295 nan 8.190 nan 0.000 0.445 514 L N 0.214 121.489 121.223 0.087 0.000 2.093 514 L HA -0.139 4.201 4.340 0.001 0.000 0.208 514 L C 2.798 179.666 176.870 -0.003 0.000 1.085 514 L CA 1.993 56.867 54.840 0.055 0.000 0.755 514 L CB -1.172 40.951 42.059 0.106 0.000 0.904 514 L HN 0.619 nan 8.230 nan 0.000 0.435 515 T N -3.876 110.670 114.554 -0.013 0.000 2.770 515 T HA -0.100 4.251 4.350 0.001 0.000 0.263 515 T C 2.047 176.656 174.700 -0.152 0.000 1.039 515 T CA 1.285 63.337 62.100 -0.080 0.000 1.142 515 T CB -0.387 68.443 68.868 -0.063 0.000 0.868 515 T HN 0.186 nan 8.240 nan 0.000 0.435 516 S N 1.816 117.495 115.700 -0.035 0.000 2.348 516 S HA -0.073 4.398 4.470 0.001 0.000 0.221 516 S C 2.022 176.605 174.600 -0.029 0.000 1.033 516 S CA 1.494 59.724 58.200 0.051 0.000 1.010 516 S CB -0.448 62.909 63.200 0.261 0.000 0.891 516 S HN 0.633 nan 8.310 nan 0.000 0.442 517 K N 1.073 121.471 120.400 -0.004 0.000 2.152 517 K HA -0.096 4.225 4.320 0.001 0.000 0.206 517 K C 2.138 178.693 176.600 -0.074 0.000 1.048 517 K CA 1.234 57.510 56.287 -0.019 0.000 0.933 517 K CB -0.515 31.973 32.500 -0.020 0.000 0.721 517 K HN 0.384 nan 8.250 nan 0.000 0.447 518 G N 1.074 109.807 108.800 -0.112 0.000 2.404 518 G HA2 -0.229 3.732 3.960 0.001 0.000 0.215 518 G HA3 -0.229 3.732 3.960 0.001 0.000 0.215 518 G C 1.204 175.969 174.900 -0.225 0.000 1.174 518 G CA 0.688 45.703 45.100 -0.142 0.000 0.780 518 G HN 0.269 nan 8.290 nan 0.000 0.537 519 K N 0.674 120.832 120.400 -0.403 0.000 2.147 519 K HA 0.062 4.383 4.320 0.001 0.000 0.205 519 K C 2.861 179.212 176.600 -0.415 0.000 1.049 519 K CA 0.924 56.835 56.287 -0.626 0.000 0.936 519 K CB -0.168 31.446 32.500 -1.477 0.000 0.722 519 K HN 0.275 nan 8.250 nan 0.000 0.446 520 A N 1.296 123.982 122.820 -0.223 0.000 1.898 520 A HA -0.134 4.187 4.320 0.001 0.000 0.216 520 A C 2.106 179.676 177.584 -0.023 0.000 1.181 520 A CA 1.050 53.081 52.037 -0.010 0.000 0.620 520 A CB -0.458 18.593 19.000 0.085 0.000 0.819 520 A HN 0.232 nan 8.150 nan 0.000 0.442 521 L N -0.248 120.939 121.223 -0.059 0.000 2.046 521 L HA -0.041 4.300 4.340 0.001 0.000 0.208 521 L C 2.673 179.510 176.870 -0.054 0.000 1.077 521 L CA 2.117 56.926 54.840 -0.052 0.000 0.747 521 L CB -0.604 41.418 42.059 -0.061 0.000 0.896 521 L HN 0.328 nan 8.230 nan 0.000 0.432 522 A N -0.873 121.901 122.820 -0.077 0.000 1.972 522 A HA -0.181 4.139 4.320 0.001 0.000 0.219 522 A C 2.184 179.749 177.584 -0.031 0.000 1.169 522 A CA 1.864 53.862 52.037 -0.065 0.000 0.635 522 A CB -0.856 18.087 19.000 -0.094 0.000 0.810 522 A HN 0.449 nan 8.150 nan 0.000 0.446 523 L N 0.150 121.361 121.223 -0.020 0.000 2.044 523 L HA -0.086 4.254 4.340 0.001 0.000 0.205 523 L C 2.224 179.130 176.870 0.059 0.000 1.075 523 L CA 2.102 56.964 54.840 0.036 0.000 0.747 523 L CB -0.996 41.114 42.059 0.085 0.000 0.903 523 L HN 0.502 nan 8.230 nan 0.000 0.435 524 E N -0.340 119.889 120.200 0.050 0.000 2.086 524 E HA -0.314 4.037 4.350 0.001 0.000 0.200 524 E C 2.112 178.744 176.600 0.053 0.000 1.012 524 E CA 1.815 58.247 56.400 0.054 0.000 0.812 524 E CB -0.168 29.538 29.700 0.009 0.000 0.743 524 E HN 0.502 nan 8.360 nan 0.000 0.453 525 K N 0.223 120.629 120.400 0.010 0.000 2.097 525 K HA -0.148 4.172 4.320 0.001 0.000 0.206 525 K C 2.279 178.908 176.600 0.049 0.000 1.049 525 K CA 0.999 57.289 56.287 0.006 0.000 0.933 525 K CB 0.052 32.534 32.500 -0.029 0.000 0.717 525 K HN 0.058 nan 8.250 nan 0.000 0.442 526 Q N 0.610 120.437 119.800 0.044 0.000 2.083 526 Q HA -0.039 4.302 4.340 0.001 0.000 0.198 526 Q C 2.263 178.303 176.000 0.066 0.000 0.969 526 Q CA 1.124 56.953 55.803 0.044 0.000 0.838 526 Q CB -0.231 28.530 28.738 0.038 0.000 0.900 526 Q HN 0.333 nan 8.270 nan 0.000 0.436 527 L N -0.456 120.831 121.223 0.107 0.000 2.083 527 L HA -0.196 4.144 4.340 0.001 0.000 0.209 527 L C 2.404 179.340 176.870 0.111 0.000 1.083 527 L CA 1.237 56.173 54.840 0.160 0.000 0.752 527 L CB -0.593 41.618 42.059 0.255 0.000 0.899 527 L HN 0.135 nan 8.230 nan 0.000 0.433 528 Y N 1.033 121.301 120.300 -0.054 0.000 2.114 528 Y HA -0.252 4.299 4.550 0.001 0.000 0.284 528 Y C 2.695 178.425 175.900 -0.284 0.000 1.143 528 Y CA 1.625 59.628 58.100 -0.162 0.000 1.135 528 Y CB 0.005 38.353 38.460 -0.187 0.000 0.980 528 Y HN 0.102 nan 8.280 nan 0.000 0.499 529 E N 0.382 120.489 120.200 -0.155 0.000 2.118 529 E HA -0.275 4.076 4.350 0.001 0.000 0.195 529 E C 2.097 178.607 176.600 -0.149 0.000 0.992 529 E CA 1.512 57.761 56.400 -0.252 0.000 0.804 529 E CB -0.385 29.271 29.700 -0.073 0.000 0.741 529 E HN 0.696 nan 8.360 nan 0.000 0.458 530 E N 0.616 120.784 120.200 -0.053 0.000 2.153 530 E HA -0.150 4.201 4.350 0.001 0.000 0.194 530 E C 2.200 178.815 176.600 0.026 0.000 0.988 530 E CA 0.433 56.844 56.400 0.018 0.000 0.811 530 E CB -0.018 29.721 29.700 0.065 0.000 0.746 530 E HN 0.211 nan 8.360 nan 0.000 0.466 531 L N 0.041 121.231 121.223 -0.055 0.000 2.083 531 L HA -0.167 4.174 4.340 0.001 0.000 0.209 531 L C 2.328 179.277 176.870 0.132 0.000 1.083 531 L CA 0.706 55.536 54.840 -0.016 0.000 0.752 531 L CB -0.452 41.508 42.059 -0.164 0.000 0.899 531 L HN 0.193 nan 8.230 nan 0.000 0.433 532 F N 0.740 120.598 119.950 -0.153 0.000 2.171 532 F HA -0.190 4.338 4.527 0.001 0.000 0.300 532 F C 2.350 178.120 175.800 -0.051 0.000 1.090 532 F CA 0.897 58.831 58.000 -0.110 0.000 1.293 532 F CB -0.909 38.025 39.000 -0.111 0.000 1.013 532 F HN 0.171 nan 8.300 nan 0.000 0.486 533 D N -0.045 120.454 120.400 0.164 0.000 2.218 533 D HA -0.114 4.527 4.640 0.001 0.000 0.204 533 D C 2.359 178.700 176.300 0.069 0.000 0.976 533 D CA 0.931 54.986 54.000 0.090 0.000 0.853 533 D CB -0.302 40.539 40.800 0.068 0.000 0.939 533 D HN 0.271 nan 8.370 nan 0.000 0.481 534 L N -0.442 120.838 121.223 0.095 0.000 2.416 534 L HA 0.114 4.455 4.340 0.001 0.000 0.216 534 L C 2.173 179.134 176.870 0.152 0.000 1.098 534 L CA 0.165 55.071 54.840 0.110 0.000 0.840 534 L CB 0.167 42.304 42.059 0.129 0.000 0.981 534 L HN -0.029 nan 8.230 nan 0.000 0.462 535 L N -0.970 120.334 121.223 0.135 0.000 2.221 535 L HA -0.042 4.299 4.340 0.001 0.000 0.202 535 L C 2.312 179.231 176.870 0.083 0.000 1.074 535 L CA 0.549 55.483 54.840 0.157 0.000 0.795 535 L CB -0.176 41.941 42.059 0.096 0.000 0.960 535 L HN 0.166 nan 8.230 nan 0.000 0.458 536 L N 0.287 121.510 121.223 -0.000 0.000 2.081 536 L HA -0.186 4.155 4.340 0.001 0.000 0.212 536 L C -0.359 176.464 176.870 -0.078 0.000 1.080 536 L CA 1.376 56.185 54.840 -0.052 0.000 0.754 536 L CB -1.523 40.502 42.059 -0.056 0.000 0.893 536 L HN 0.240 nan 8.230 nan 0.000 0.433 537 P HA -0.147 nan 4.420 nan 0.000 0.225 537 P C 0.517 177.617 177.300 -0.333 0.000 1.148 537 P CA 1.436 64.370 63.100 -0.277 0.000 0.779 537 P CB -0.068 31.387 31.700 -0.408 0.000 0.780 538 H N -2.536 116.557 119.070 0.038 0.000 2.520 538 H HA 0.161 4.718 4.556 0.001 0.000 0.284 538 H C 1.547 176.890 175.328 0.025 0.000 1.037 538 H CA -0.485 55.599 56.048 0.060 0.000 1.168 538 H CB -0.198 29.612 29.762 0.080 0.000 1.497 538 H HN -0.039 nan 8.280 nan 0.000 0.547 539 L N 1.368 122.628 121.223 0.061 0.000 1.990 539 L HA -0.208 4.133 4.340 0.001 0.000 0.213 539 L C 2.306 179.214 176.870 0.063 0.000 1.072 539 L CA 1.965 56.823 54.840 0.031 0.000 0.755 539 L CB -0.383 41.680 42.059 0.006 0.000 0.889 539 L HN 0.366 nan 8.230 nan 0.000 0.432 540 E N -0.704 119.547 120.200 0.085 0.000 2.033 540 E HA -0.298 4.053 4.350 0.001 0.000 0.199 540 E C 2.109 178.788 176.600 0.132 0.000 1.011 540 E CA 1.607 58.067 56.400 0.100 0.000 0.815 540 E CB -0.354 29.404 29.700 0.096 0.000 0.755 540 E HN 0.599 nan 8.360 nan 0.000 0.451 541 A N 0.827 123.759 122.820 0.187 0.000 1.917 541 A HA -0.209 4.112 4.320 0.001 0.000 0.219 541 A C 2.268 180.031 177.584 0.299 0.000 1.182 541 A CA 1.726 53.935 52.037 0.286 0.000 0.633 541 A CB -0.850 18.408 19.000 0.431 0.000 0.819 541 A HN 0.361 nan 8.150 nan 0.000 0.448 542 L N -0.996 120.290 121.223 0.105 0.000 2.083 542 L HA -0.257 4.084 4.340 0.001 0.000 0.209 542 L C 2.884 179.770 176.870 0.026 0.000 1.083 542 L CA 1.611 56.396 54.840 -0.091 0.000 0.752 542 L CB -0.628 41.308 42.059 -0.205 0.000 0.899 542 L HN 0.487 nan 8.230 nan 0.000 0.433 543 Q N -0.369 119.463 119.800 0.053 0.000 2.084 543 Q HA -0.250 4.091 4.340 0.001 0.000 0.202 543 Q C 2.267 178.318 176.000 0.085 0.000 0.978 543 Q CA 1.400 57.239 55.803 0.061 0.000 0.844 543 Q CB -0.155 28.625 28.738 0.071 0.000 0.898 543 Q HN 0.565 nan 8.270 nan 0.000 0.426 544 Q N -0.030 119.837 119.800 0.111 0.000 2.124 544 Q HA -0.161 4.179 4.340 0.001 0.000 0.202 544 Q C 2.257 178.333 176.000 0.127 0.000 0.977 544 Q CA 1.506 57.378 55.803 0.114 0.000 0.850 544 Q CB -0.120 28.690 28.738 0.120 0.000 0.901 544 Q HN 0.228 nan 8.270 nan 0.000 0.429 545 S N 0.191 115.997 115.700 0.175 0.000 2.355 545 S HA -0.136 4.334 4.470 0.001 0.000 0.222 545 S C 2.023 176.699 174.600 0.127 0.000 1.031 545 S CA 1.073 59.394 58.200 0.202 0.000 0.993 545 S CB -0.219 63.208 63.200 0.378 0.000 0.859 545 S HN 0.435 nan 8.310 nan 0.000 0.453 546 A N 0.538 123.410 122.820 0.087 0.000 2.019 546 A HA -0.015 4.306 4.320 0.001 0.000 0.219 546 A C 2.408 180.019 177.584 0.046 0.000 1.164 546 A CA 2.002 54.068 52.037 0.049 0.000 0.644 546 A CB -1.199 17.812 19.000 0.018 0.000 0.805 546 A HN 0.633 nan 8.150 nan 0.000 0.449 547 S N -0.329 115.408 115.700 0.062 0.000 2.357 547 S HA 0.018 4.489 4.470 0.001 0.000 0.221 547 S C 2.240 176.880 174.600 0.067 0.000 1.031 547 S CA 1.475 59.713 58.200 0.065 0.000 0.982 547 S CB -0.541 62.706 63.200 0.078 0.000 0.853 547 S HN 0.835 nan 8.310 nan 0.000 0.458 548 A N 1.763 124.628 122.820 0.075 0.000 1.892 548 A HA -0.045 4.276 4.320 0.001 0.000 0.218 548 A C 2.279 179.892 177.584 0.049 0.000 1.188 548 A CA 1.800 53.877 52.037 0.068 0.000 0.631 548 A CB -1.069 17.973 19.000 0.070 0.000 0.822 548 A HN 0.592 nan 8.150 nan 0.000 0.447 549 L N -0.947 120.305 121.223 0.048 0.000 2.046 549 L HA -0.212 4.129 4.340 0.001 0.000 0.208 549 L C 3.134 180.004 176.870 0.001 0.000 1.077 549 L CA 1.049 55.907 54.840 0.029 0.000 0.747 549 L CB -0.596 41.485 42.059 0.038 0.000 0.896 549 L HN 0.466 nan 8.230 nan 0.000 0.432 550 A N -0.049 122.768 122.820 -0.004 0.000 1.865 550 A HA -0.297 4.024 4.320 0.001 0.000 0.217 550 A C 2.265 179.801 177.584 -0.080 0.000 1.191 550 A CA 2.110 54.121 52.037 -0.043 0.000 0.623 550 A CB -0.616 18.363 19.000 -0.035 0.000 0.826 550 A HN 0.487 nan 8.150 nan 0.000 0.444 551 E N -0.369 119.813 120.200 -0.031 0.000 2.110 551 E HA -0.145 4.205 4.350 0.001 0.000 0.193 551 E C 1.908 178.496 176.600 -0.019 0.000 0.988 551 E CA 0.964 57.352 56.400 -0.021 0.000 0.804 551 E CB -0.212 29.564 29.700 0.128 0.000 0.745 551 E HN 0.615 nan 8.360 nan 0.000 0.458 552 L N 0.885 122.106 121.223 -0.002 0.000 2.083 552 L HA -0.188 4.152 4.340 0.001 0.000 0.209 552 L C 2.392 179.242 176.870 -0.033 0.000 1.083 552 L CA 1.362 56.198 54.840 -0.006 0.000 0.752 552 L CB -0.339 41.719 42.059 -0.001 0.000 0.899 552 L HN 0.219 nan 8.230 nan 0.000 0.433 553 D N -0.318 120.050 120.400 -0.053 0.000 2.117 553 D HA -0.155 4.486 4.640 0.001 0.000 0.197 553 D C 2.117 178.357 176.300 -0.101 0.000 0.987 553 D CA 1.211 55.170 54.000 -0.068 0.000 0.829 553 D CB 0.107 40.863 40.800 -0.073 0.000 0.961 553 D HN 0.044 nan 8.370 nan 0.000 0.460 554 V N 0.637 120.451 119.914 -0.167 0.000 2.244 554 V HA -0.216 3.905 4.120 0.001 0.000 0.244 554 V C 2.805 178.830 176.094 -0.115 0.000 1.042 554 V CA 1.378 63.531 62.300 -0.246 0.000 1.006 554 V CB -0.618 30.843 31.823 -0.604 0.000 0.641 554 V HN 0.264 nan 8.190 nan 0.000 0.446 555 L N -0.319 120.881 121.223 -0.039 0.000 2.012 555 L HA -0.187 4.154 4.340 0.001 0.000 0.210 555 L C 2.521 179.395 176.870 0.008 0.000 1.073 555 L CA 1.316 56.186 54.840 0.050 0.000 0.748 555 L CB -0.832 41.285 42.059 0.096 0.000 0.891 555 L HN 0.195 nan 8.230 nan 0.000 0.431 556 V N 0.534 120.441 119.914 -0.012 0.000 2.343 556 V HA -0.313 3.808 4.120 0.001 0.000 0.247 556 V C 2.298 178.370 176.094 -0.037 0.000 1.051 556 V CA 2.272 64.560 62.300 -0.019 0.000 1.036 556 V CB -0.807 31.005 31.823 -0.017 0.000 0.654 556 V HN 0.600 nan 8.190 nan 0.000 0.451 557 N N 0.236 118.909 118.700 -0.045 0.000 2.120 557 N HA -0.171 4.570 4.740 0.001 0.000 0.188 557 N C 1.704 177.187 175.510 -0.045 0.000 1.024 557 N CA 1.667 54.687 53.050 -0.050 0.000 0.852 557 N CB -0.307 38.145 38.487 -0.058 0.000 1.003 557 N HN 0.457 nan 8.380 nan 0.000 0.424 558 L N -0.339 120.868 121.223 -0.025 0.000 2.141 558 L HA -0.032 4.309 4.340 0.001 0.000 0.209 558 L C 2.529 179.356 176.870 -0.072 0.000 1.094 558 L CA 0.948 55.785 54.840 -0.006 0.000 0.763 558 L CB -0.606 41.491 42.059 0.064 0.000 0.908 558 L HN 0.324 nan 8.230 nan 0.000 0.437 559 A N -0.177 122.591 122.820 -0.087 0.000 1.845 559 A HA -0.243 4.078 4.320 0.001 0.000 0.215 559 A C 2.312 179.835 177.584 -0.102 0.000 1.195 559 A CA 1.692 53.651 52.037 -0.131 0.000 0.616 559 A CB -0.596 18.358 19.000 -0.077 0.000 0.832 559 A HN 0.369 nan 8.150 nan 0.000 0.443 560 E N 0.042 120.190 120.200 -0.086 0.000 2.097 560 E HA -0.253 4.098 4.350 0.001 0.000 0.196 560 E C 2.193 178.746 176.600 -0.077 0.000 1.000 560 E CA 1.288 57.632 56.400 -0.093 0.000 0.804 560 E CB -0.267 29.374 29.700 -0.099 0.000 0.740 560 E HN 0.398 nan 8.360 nan 0.000 0.454 561 R N 0.116 120.549 120.500 -0.112 0.000 2.080 561 R HA -0.085 4.256 4.340 0.001 0.000 0.236 561 R C 2.402 178.482 176.300 -0.367 0.000 1.137 561 R CA 1.316 57.298 56.100 -0.196 0.000 0.943 561 R CB -1.216 28.998 30.300 -0.144 0.000 0.846 561 R HN 0.261 nan 8.270 nan 0.000 0.431 562 A N 0.340 122.985 122.820 -0.292 0.000 1.940 562 A HA -0.228 4.093 4.320 0.001 0.000 0.219 562 A C 2.119 179.622 177.584 -0.134 0.000 1.176 562 A CA 1.501 53.379 52.037 -0.265 0.000 0.631 562 A CB -0.758 18.108 19.000 -0.224 0.000 0.814 562 A HN 0.457 nan 8.150 nan 0.000 0.446 563 Y N 1.033 121.217 120.300 -0.193 0.000 2.163 563 Y HA -0.140 4.411 4.550 0.001 0.000 0.288 563 Y C 2.538 178.362 175.900 -0.125 0.000 1.136 563 Y CA 2.289 60.319 58.100 -0.117 0.000 1.147 563 Y CB -0.658 37.743 38.460 -0.097 0.000 0.987 563 Y HN 0.276 nan 8.280 nan 0.000 0.509 564 T N 0.892 115.540 114.554 0.157 0.000 2.985 564 T HA 0.004 4.355 4.350 0.001 0.000 0.266 564 T C 1.328 175.980 174.700 -0.080 0.000 1.076 564 T CA 1.470 63.625 62.100 0.091 0.000 1.135 564 T CB -0.222 68.680 68.868 0.056 0.000 0.890 564 T HN 0.297 nan 8.240 nan 0.000 0.480 565 L N 0.664 121.745 121.223 -0.237 0.000 2.857 565 L HA 0.364 4.704 4.340 0.001 0.000 0.249 565 L C -0.122 176.693 176.870 -0.092 0.000 1.172 565 L CA -0.379 54.322 54.840 -0.233 0.000 0.980 565 L CB -0.447 41.346 42.059 -0.443 0.000 1.299 565 L HN 0.131 nan 8.230 nan 0.000 0.535 566 N N 1.026 119.675 118.700 -0.085 0.000 2.614 566 N HA -0.206 4.535 4.740 0.001 0.000 0.276 566 N C -0.945 174.736 175.510 0.286 0.000 1.119 566 N CA 0.765 53.839 53.050 0.040 0.000 0.742 566 N CB -0.669 37.833 38.487 0.025 0.000 0.900 566 N HN 0.219 nan 8.380 nan 0.000 0.549 567 Y N 0.055 120.396 120.300 0.068 0.000 2.458 567 Y HA 0.542 5.092 4.550 0.001 0.000 0.322 567 Y C 1.284 177.282 175.900 0.164 0.000 1.259 567 Y CA -0.711 57.458 58.100 0.116 0.000 1.302 567 Y CB 1.172 39.740 38.460 0.180 0.000 1.314 567 Y HN 0.093 nan 8.280 nan 0.000 0.509 568 T N -0.232 114.450 114.554 0.212 0.000 2.907 568 T HA 0.367 4.718 4.350 0.001 0.000 0.290 568 T C -1.228 173.233 174.700 -0.399 0.000 1.066 568 T CA -0.500 61.583 62.100 -0.028 0.000 1.012 568 T CB 0.897 69.723 68.868 -0.070 0.000 1.184 568 T HN 0.765 nan 8.240 nan 0.000 0.522 569 C N 4.900 123.771 119.300 -0.715 0.000 2.303 569 C HA 0.688 5.149 4.460 0.001 0.000 0.341 569 C C -2.229 172.459 174.990 -0.504 0.000 1.244 569 C CA -1.841 56.628 59.018 -0.915 0.000 1.765 569 C CB -0.460 26.701 27.740 -0.965 0.000 2.379 569 C HN 0.665 nan 8.230 nan 0.000 0.530 570 P HA 0.257 nan 4.420 nan 0.000 0.269 570 P C -0.309 176.608 177.300 -0.639 0.000 1.215 570 P CA 0.310 63.113 63.100 -0.495 0.000 0.780 570 P CB 0.511 31.880 31.700 -0.552 0.000 0.898 571 T N -1.298 112.920 114.554 -0.560 0.000 2.940 571 T HA 0.687 5.037 4.350 0.001 0.000 0.288 571 T C -0.579 173.752 174.700 -0.616 0.000 1.033 571 T CA -0.589 61.181 62.100 -0.550 0.000 1.033 571 T CB 0.560 69.278 68.868 -0.249 0.000 1.079 571 T HN 0.029 nan 8.240 nan 0.000 0.496 572 F N 1.351 121.256 119.950 -0.074 0.000 2.443 572 F HA 0.647 5.175 4.527 0.001 0.000 0.335 572 F C 0.466 176.262 175.800 -0.006 0.000 1.104 572 F CA -1.573 56.400 58.000 -0.045 0.000 1.013 572 F CB 1.164 40.134 39.000 -0.050 0.000 1.136 572 F HN 0.689 nan 8.300 nan 0.000 0.470 573 I N -1.483 119.208 120.570 0.201 0.000 3.133 573 I HA 0.579 4.750 4.170 0.001 0.000 0.311 573 I C 0.022 176.226 176.117 0.144 0.000 1.072 573 I CA -0.816 60.563 61.300 0.132 0.000 1.015 573 I CB 1.688 39.738 38.000 0.085 0.000 1.233 573 I HN 0.354 nan 8.210 nan 0.000 0.473 574 D N 0.736 121.200 120.400 0.107 0.000 2.240 574 D HA 0.070 4.710 4.640 0.001 0.000 0.206 574 D C 0.200 176.579 176.300 0.131 0.000 0.963 574 D CA 1.140 55.202 54.000 0.102 0.000 0.863 574 D CB 0.222 41.066 40.800 0.073 0.000 0.973 574 D HN 0.383 nan 8.370 nan 0.000 0.501 575 K N 1.097 121.570 120.400 0.122 0.000 2.185 575 K HA 0.433 4.754 4.320 0.001 0.000 0.240 575 K C -2.538 174.141 176.600 0.131 0.000 0.983 575 K CA -2.189 54.176 56.287 0.130 0.000 0.873 575 K CB 0.737 33.279 32.500 0.068 0.000 1.118 575 K HN -0.182 nan 8.250 nan 0.000 0.441 576 P HA 0.131 nan 4.420 nan 0.000 0.266 576 P C -0.370 176.965 177.300 0.058 0.000 1.193 576 P CA 0.215 63.364 63.100 0.080 0.000 0.770 576 P CB 0.423 32.086 31.700 -0.062 0.000 0.836 577 G N 1.162 110.007 108.800 0.074 0.000 2.402 577 G HA2 0.467 4.428 3.960 0.001 0.000 0.301 577 G HA3 0.467 4.428 3.960 0.001 0.000 0.301 577 G C -1.944 172.993 174.900 0.062 0.000 1.615 577 G CA -0.602 44.530 45.100 0.054 0.000 0.889 577 G HN 0.388 nan 8.290 nan 0.000 0.647 578 I N 1.066 121.661 120.570 0.041 0.000 2.529 578 I HA 0.438 4.609 4.170 0.001 0.000 0.284 578 I C -0.213 175.912 176.117 0.014 0.000 1.088 578 I CA -0.684 60.634 61.300 0.031 0.000 1.062 578 I CB 2.248 40.264 38.000 0.027 0.000 1.218 578 I HN 0.283 nan 8.210 nan 0.000 0.442 579 R N 6.906 127.406 120.500 0.001 0.000 2.337 579 R HA 0.696 5.036 4.340 0.001 0.000 0.319 579 R C -1.053 175.237 176.300 -0.016 0.000 0.954 579 R CA -0.559 55.540 56.100 -0.001 0.000 0.840 579 R CB 1.917 32.215 30.300 -0.004 0.000 1.164 579 R HN 0.529 nan 8.270 nan 0.000 0.472 580 I N 1.893 122.461 120.570 -0.003 0.000 2.406 580 I HA 0.290 4.461 4.170 0.001 0.000 0.290 580 I C -0.145 175.980 176.117 0.014 0.000 0.999 580 I CA -0.674 60.620 61.300 -0.010 0.000 1.124 580 I CB 2.450 40.440 38.000 -0.016 0.000 1.289 580 I HN 0.397 nan 8.210 nan 0.000 0.441 581 T N 4.944 119.500 114.554 0.002 0.000 2.756 581 T HA 0.217 4.567 4.350 0.001 0.000 0.290 581 T C -0.173 174.544 174.700 0.027 0.000 0.985 581 T CA -0.424 61.687 62.100 0.017 0.000 0.955 581 T CB 0.664 69.534 68.868 0.003 0.000 0.930 581 T HN 0.540 nan 8.240 nan 0.000 0.451 582 E N 1.052 121.285 120.200 0.054 0.000 2.230 582 E HA -0.134 4.216 4.350 0.001 0.000 0.206 582 E C 0.535 177.181 176.600 0.076 0.000 1.309 582 E CA 0.640 57.085 56.400 0.075 0.000 0.697 582 E CB -1.369 28.366 29.700 0.059 0.000 1.146 582 E HN 0.917 nan 8.360 nan 0.000 0.363 583 G N 0.611 109.464 108.800 0.088 0.000 2.476 583 G HA2 0.540 4.501 3.960 0.001 0.000 0.269 583 G HA3 0.540 4.501 3.960 0.001 0.000 0.269 583 G C 0.192 175.171 174.900 0.132 0.000 1.195 583 G CA -0.586 44.547 45.100 0.054 0.000 0.843 583 G HN 0.145 nan 8.290 nan 0.000 0.545 584 R N -0.702 119.808 120.500 0.017 0.000 2.888 584 R HA 0.340 4.680 4.340 0.001 0.000 0.264 584 R C -0.880 175.273 176.300 -0.245 0.000 1.045 584 R CA -1.051 54.998 56.100 -0.086 0.000 0.962 584 R CB 1.449 31.534 30.300 -0.358 0.000 1.210 584 R HN 0.570 nan 8.270 nan 0.000 0.479 585 H N 2.832 121.553 119.070 -0.582 0.000 2.800 585 H HA 0.139 4.696 4.556 0.001 0.000 0.291 585 H C -1.821 173.277 175.328 -0.383 0.000 1.076 585 H CA -2.239 53.608 56.048 -0.334 0.000 1.452 585 H CB 1.328 31.012 29.762 -0.130 0.000 1.461 585 H HN 0.278 nan 8.280 nan 0.000 0.488 586 P HA -0.193 nan 4.420 nan 0.000 0.216 586 P C 1.377 178.732 177.300 0.091 0.000 1.150 586 P CA 0.933 64.026 63.100 -0.013 0.000 0.843 586 P CB 0.529 32.201 31.700 -0.046 0.000 0.787 587 V N -1.320 118.740 119.914 0.243 0.000 2.436 587 V HA -0.096 4.024 4.120 0.001 0.000 0.240 587 V C 2.478 178.555 176.094 -0.027 0.000 1.040 587 V CA 0.996 63.357 62.300 0.103 0.000 1.052 587 V CB -1.162 30.733 31.823 0.120 0.000 0.707 587 V HN -0.108 nan 8.190 nan 0.000 0.469 588 V N 1.937 121.750 119.914 -0.169 0.000 2.282 588 V HA -0.351 3.770 4.120 0.001 0.000 0.249 588 V C 2.637 178.701 176.094 -0.051 0.000 1.057 588 V CA 2.660 64.865 62.300 -0.160 0.000 1.032 588 V CB -1.040 30.683 31.823 -0.168 0.000 0.645 588 V HN 0.892 nan 8.190 nan 0.000 0.447 589 E N -0.263 119.826 120.200 -0.185 0.000 2.204 589 E HA -0.265 4.086 4.350 0.001 0.000 0.195 589 E C 2.010 178.601 176.600 -0.014 0.000 0.990 589 E CA 1.358 57.685 56.400 -0.122 0.000 0.821 589 E CB -0.236 29.266 29.700 -0.329 0.000 0.750 589 E HN 0.575 nan 8.360 nan 0.000 0.477 590 Q N 0.600 120.391 119.800 -0.016 0.000 2.226 590 Q HA -0.009 4.331 4.340 0.001 0.000 0.199 590 Q C 2.695 178.701 176.000 0.010 0.000 0.945 590 Q CA 1.564 57.372 55.803 0.008 0.000 0.861 590 Q CB 0.179 28.927 28.738 0.015 0.000 0.953 590 Q HN 0.475 nan 8.270 nan 0.000 0.490 591 V N -1.690 118.225 119.914 0.003 0.000 2.488 591 V HA 0.070 4.191 4.120 0.001 0.000 0.246 591 V C 1.338 177.436 176.094 0.008 0.000 1.046 591 V CA 0.662 62.963 62.300 0.002 0.000 1.053 591 V CB -0.523 31.295 31.823 -0.008 0.000 0.679 591 V HN 0.041 nan 8.190 nan 0.000 0.458 592 L N 2.209 123.440 121.223 0.014 0.000 2.276 592 L HA 0.428 4.769 4.340 0.001 0.000 0.286 592 L C 0.478 177.370 176.870 0.036 0.000 1.061 592 L CA -0.310 54.544 54.840 0.024 0.000 0.807 592 L CB 0.885 42.961 42.059 0.028 0.000 1.177 592 L HN 0.177 nan 8.230 nan 0.000 0.429 593 N N 2.519 121.237 118.700 0.030 0.000 2.416 593 N HA 0.047 4.787 4.740 0.001 0.000 0.215 593 N C -0.363 175.170 175.510 0.038 0.000 1.208 593 N CA 0.151 53.221 53.050 0.033 0.000 0.834 593 N CB 0.124 38.626 38.487 0.026 0.000 1.072 593 N HN 0.646 nan 8.380 nan 0.000 0.472 594 E N 0.508 120.735 120.200 0.045 0.000 2.227 594 E HA 0.387 4.737 4.350 0.001 0.000 0.268 594 E C -2.340 174.298 176.600 0.063 0.000 0.990 594 E CA -1.941 54.486 56.400 0.045 0.000 0.856 594 E CB 0.466 30.187 29.700 0.034 0.000 1.159 594 E HN -0.007 nan 8.360 nan 0.000 0.401 595 P HA -0.041 nan 4.420 nan 0.000 0.264 595 P C -1.226 176.122 177.300 0.079 0.000 1.193 595 P CA 0.191 63.334 63.100 0.071 0.000 0.763 595 P CB 0.150 31.877 31.700 0.046 0.000 0.810 596 F N 4.336 124.283 119.950 -0.004 0.000 2.404 596 F HA 0.309 4.837 4.527 0.001 0.000 0.345 596 F C 0.034 175.840 175.800 0.011 0.000 1.110 596 F CA -0.678 57.311 58.000 -0.018 0.000 1.130 596 F CB 0.517 39.515 39.000 -0.003 0.000 1.129 596 F HN 0.133 nan 8.300 nan 0.000 0.500 597 I N 6.381 126.644 120.570 -0.513 0.000 2.312 597 I HA 0.291 4.461 4.170 0.001 0.000 0.291 597 I C 0.542 176.598 176.117 -0.101 0.000 1.031 597 I CA -0.414 60.761 61.300 -0.208 0.000 1.293 597 I CB 0.223 38.129 38.000 -0.157 0.000 1.403 597 I HN 0.649 nan 8.210 nan 0.000 0.484 598 A N 7.653 130.565 122.820 0.153 0.000 2.304 598 A HA 0.580 4.900 4.320 0.001 0.000 0.271 598 A C 0.087 177.771 177.584 0.166 0.000 1.091 598 A CA -0.436 51.755 52.037 0.256 0.000 0.812 598 A CB 0.527 19.653 19.000 0.210 0.000 1.056 598 A HN 0.797 nan 8.150 nan 0.000 0.489 599 N N 0.433 119.263 118.700 0.217 0.000 2.277 599 N HA 0.527 5.267 4.740 0.001 0.000 0.286 599 N C -3.124 172.510 175.510 0.206 0.000 1.140 599 N CA -0.939 52.232 53.050 0.202 0.000 0.799 599 N CB 2.767 41.425 38.487 0.284 0.000 1.596 599 N HN 0.439 nan 8.380 nan 0.000 0.473 600 P HA 0.411 nan 4.420 nan 0.000 0.278 600 P C -1.019 176.407 177.300 0.209 0.000 1.266 600 P CA -0.508 62.672 63.100 0.134 0.000 0.807 600 P CB 1.468 33.218 31.700 0.083 0.000 1.094 601 L N 0.813 122.118 121.223 0.137 0.000 2.545 601 L HA 0.585 4.926 4.340 0.001 0.000 0.258 601 L C -1.800 175.116 176.870 0.077 0.000 0.942 601 L CA -0.402 54.524 54.840 0.143 0.000 0.855 601 L CB 1.996 44.099 42.059 0.073 0.000 1.374 601 L HN 0.319 nan 8.230 nan 0.000 0.411 602 N N 4.744 123.489 118.700 0.075 0.000 2.609 602 N HA 0.529 5.270 4.740 0.001 0.000 0.268 602 N C -2.165 173.371 175.510 0.043 0.000 1.106 602 N CA -0.233 52.845 53.050 0.047 0.000 0.823 602 N CB 0.726 39.238 38.487 0.041 0.000 1.263 602 N HN 0.670 nan 8.380 nan 0.000 0.533 603 L N 1.739 122.983 121.223 0.034 0.000 2.346 603 L HA 0.717 5.057 4.340 0.001 0.000 0.276 603 L C 0.119 177.002 176.870 0.021 0.000 1.006 603 L CA -0.627 54.230 54.840 0.028 0.000 0.817 603 L CB 1.813 43.890 42.059 0.030 0.000 1.272 603 L HN 0.666 nan 8.230 nan 0.000 0.421 604 S N 1.261 116.968 115.700 0.012 0.000 2.688 604 S HA 0.545 5.015 4.470 0.001 0.000 0.275 604 S C -2.636 171.958 174.600 -0.009 0.000 1.175 604 S CA -1.109 57.094 58.200 0.006 0.000 0.818 604 S CB 1.886 65.090 63.200 0.007 0.000 1.157 604 S HN 0.273 nan 8.310 nan 0.000 0.482 605 P HA 0.063 nan 4.420 nan 0.000 0.225 605 P C 0.728 178.011 177.300 -0.029 0.000 1.148 605 P CA 1.093 64.173 63.100 -0.034 0.000 0.779 605 P CB 0.019 31.696 31.700 -0.038 0.000 0.780 606 Q N -1.751 118.038 119.800 -0.018 0.000 2.384 606 Q HA 0.125 4.465 4.340 0.001 0.000 0.207 606 Q C 0.922 176.913 176.000 -0.016 0.000 0.904 606 Q CA 0.376 56.168 55.803 -0.017 0.000 0.933 606 Q CB 0.250 28.981 28.738 -0.011 0.000 1.077 606 Q HN 0.061 nan 8.270 nan 0.000 0.522 607 R N 0.183 120.676 120.500 -0.012 0.000 2.687 607 R HA 0.287 4.628 4.340 0.001 0.000 0.264 607 R C 0.004 176.302 176.300 -0.004 0.000 1.715 607 R CA -0.005 56.091 56.100 -0.007 0.000 1.633 607 R CB 0.186 30.489 30.300 0.005 0.000 1.353 607 R HN -0.006 nan 8.270 nan 0.000 0.653 608 R N 0.684 121.173 120.500 -0.018 0.000 2.127 608 R HA 0.156 4.497 4.340 0.001 0.000 0.217 608 R C 0.740 177.036 176.300 -0.007 0.000 1.074 608 R CA 0.844 56.933 56.100 -0.019 0.000 0.991 608 R CB 0.365 30.641 30.300 -0.039 0.000 0.895 608 R HN 0.283 nan 8.270 nan 0.000 0.450 609 M N 1.280 120.870 119.600 -0.016 0.000 2.263 609 M HA 0.351 4.832 4.480 0.001 0.000 0.295 609 M C -1.777 174.529 176.300 0.011 0.000 1.028 609 M CA -0.523 54.775 55.300 -0.005 0.000 0.921 609 M CB 1.791 34.355 32.600 -0.060 0.000 1.601 609 M HN -0.092 nan 8.290 nan 0.000 0.440 610 L N 5.988 127.249 121.223 0.064 0.000 2.272 610 L HA 0.496 4.837 4.340 0.001 0.000 0.289 610 L C -0.456 176.484 176.870 0.117 0.000 1.032 610 L CA -0.983 53.907 54.840 0.084 0.000 0.810 610 L CB 1.389 43.524 42.059 0.127 0.000 1.205 610 L HN 0.624 nan 8.230 nan 0.000 0.422 611 I N 4.994 125.610 120.570 0.075 0.000 2.396 611 I HA 0.242 4.412 4.170 0.001 0.000 0.289 611 I C 0.225 176.426 176.117 0.139 0.000 1.056 611 I CA 0.009 61.380 61.300 0.118 0.000 1.365 611 I CB 0.993 39.007 38.000 0.024 0.000 1.407 611 I HN 0.475 nan 8.210 nan 0.000 0.509 612 I N 6.592 127.271 120.570 0.180 0.000 2.390 612 I HA 0.221 4.392 4.170 0.001 0.000 0.283 612 I C 0.635 176.853 176.117 0.167 0.000 1.016 612 I CA -0.357 61.038 61.300 0.158 0.000 1.151 612 I CB 1.432 39.524 38.000 0.153 0.000 1.293 612 I HN 0.585 nan 8.210 nan 0.000 0.458 613 T N 1.953 116.619 114.554 0.187 0.000 2.893 613 T HA 0.931 5.282 4.350 0.001 0.000 0.279 613 T C 0.368 175.207 174.700 0.232 0.000 0.991 613 T CA -0.264 61.961 62.100 0.209 0.000 0.950 613 T CB 1.946 70.950 68.868 0.225 0.000 1.223 613 T HN 1.025 nan 8.240 nan 0.000 0.585 614 G N 0.529 109.479 108.800 0.250 0.000 2.592 614 G HA2 0.119 4.080 3.960 0.001 0.000 0.684 614 G HA3 0.119 4.080 3.960 0.001 0.000 0.684 614 G C -3.211 171.829 174.900 0.234 0.000 1.291 614 G CA -0.847 44.425 45.100 0.288 0.000 0.891 614 G HN 0.834 nan 8.290 nan 0.000 0.544 615 P HA 0.223 nan 4.420 nan 0.000 0.266 615 P C -0.278 177.045 177.300 0.039 0.000 1.195 615 P CA -0.083 63.100 63.100 0.138 0.000 0.768 615 P CB 0.478 32.235 31.700 0.095 0.000 0.838 616 N N 3.158 121.855 118.700 -0.005 0.000 2.898 616 N HA 0.181 4.922 4.740 0.001 0.000 0.245 616 N C -0.261 175.179 175.510 -0.116 0.000 1.185 616 N CA -0.208 52.821 53.050 -0.035 0.000 0.879 616 N CB -0.075 38.408 38.487 -0.006 0.000 1.157 616 N HN 0.173 nan 8.380 nan 0.000 0.503 617 M N 0.788 120.264 119.600 -0.207 0.000 2.655 617 M HA 0.359 4.840 4.480 0.001 0.000 0.311 617 M C 1.047 177.260 176.300 -0.145 0.000 1.229 617 M CA -0.239 54.883 55.300 -0.296 0.000 0.972 617 M CB -0.299 31.880 32.600 -0.703 0.000 1.366 617 M HN 0.532 nan 8.290 nan 0.000 0.500 618 G N -0.046 108.720 108.800 -0.056 0.000 2.307 618 G HA2 -0.216 3.745 3.960 0.001 0.000 0.210 618 G HA3 -0.216 3.745 3.960 0.001 0.000 0.210 618 G C 0.977 175.919 174.900 0.070 0.000 1.005 618 G CA 0.009 45.112 45.100 0.006 0.000 0.634 618 G HN 0.495 nan 8.290 nan 0.000 0.496 619 G N 0.575 109.436 108.800 0.103 0.000 2.418 619 G HA2 -0.056 3.905 3.960 0.001 0.000 0.217 619 G HA3 -0.056 3.905 3.960 0.001 0.000 0.217 619 G C 1.589 176.580 174.900 0.151 0.000 1.158 619 G CA 1.732 46.937 45.100 0.175 0.000 0.771 619 G HN 0.552 nan 8.290 nan 0.000 0.545 620 K N 0.491 120.957 120.400 0.111 0.000 2.025 620 K HA -0.005 4.315 4.320 0.001 0.000 0.207 620 K C 2.975 179.685 176.600 0.183 0.000 1.049 620 K CA 1.223 57.599 56.287 0.148 0.000 0.933 620 K CB -0.209 32.352 32.500 0.103 0.000 0.714 620 K HN 0.217 nan 8.250 nan 0.000 0.438 621 S N 0.626 116.400 115.700 0.124 0.000 2.359 621 S HA -0.148 4.322 4.470 0.001 0.000 0.224 621 S C 2.073 176.770 174.600 0.162 0.000 1.035 621 S CA 1.825 60.092 58.200 0.113 0.000 1.018 621 S CB -0.429 62.813 63.200 0.071 0.000 0.876 621 S HN 0.341 nan 8.310 nan 0.000 0.448 622 T N 0.880 115.548 114.554 0.189 0.000 2.684 622 T HA -0.166 4.185 4.350 0.001 0.000 0.267 622 T C 1.576 176.476 174.700 0.334 0.000 1.036 622 T CA 1.687 63.958 62.100 0.284 0.000 1.148 622 T CB -0.534 68.477 68.868 0.239 0.000 0.863 622 T HN 0.508 nan 8.240 nan 0.000 0.436 623 Y N 1.344 121.744 120.300 0.167 0.000 2.207 623 Y HA -0.131 4.420 4.550 0.001 0.000 0.287 623 Y C 2.266 178.227 175.900 0.103 0.000 1.156 623 Y CA 1.333 59.517 58.100 0.139 0.000 1.182 623 Y CB -0.409 38.111 38.460 0.099 0.000 0.979 623 Y HN 0.179 nan 8.280 nan 0.000 0.521 624 M N -0.636 119.011 119.600 0.078 0.000 2.156 624 M HA -0.169 4.312 4.480 0.001 0.000 0.264 624 M C 2.271 178.543 176.300 -0.045 0.000 1.067 624 M CA 1.730 57.014 55.300 -0.026 0.000 1.131 624 M CB -0.263 32.375 32.600 0.064 0.000 1.368 624 M HN 0.107 nan 8.290 nan 0.000 0.416 625 R N 0.522 121.037 120.500 0.026 0.000 2.075 625 R HA -0.169 4.172 4.340 0.001 0.000 0.232 625 R C 2.327 178.530 176.300 -0.162 0.000 1.126 625 R CA 1.672 57.768 56.100 -0.007 0.000 0.963 625 R CB -0.487 29.883 30.300 0.118 0.000 0.858 625 R HN 0.562 nan 8.270 nan 0.000 0.435 626 Q N 0.162 119.855 119.800 -0.178 0.000 2.170 626 Q HA -0.120 4.221 4.340 0.001 0.000 0.203 626 Q C 1.257 177.116 176.000 -0.235 0.000 0.976 626 Q CA 1.863 57.476 55.803 -0.318 0.000 0.858 626 Q CB -0.293 28.372 28.738 -0.121 0.000 0.907 626 Q HN 0.125 nan 8.270 nan 0.000 0.433 627 T N 1.393 115.816 114.554 -0.219 0.000 2.708 627 T HA -0.095 4.255 4.350 0.001 0.000 0.266 627 T C 2.052 176.679 174.700 -0.121 0.000 1.037 627 T CA 1.534 63.518 62.100 -0.193 0.000 1.146 627 T CB -0.470 68.262 68.868 -0.227 0.000 0.865 627 T HN 0.544 nan 8.240 nan 0.000 0.435 628 A N 1.384 124.143 122.820 -0.103 0.000 1.883 628 A HA -0.034 4.287 4.320 0.001 0.000 0.217 628 A C 2.351 179.888 177.584 -0.078 0.000 1.186 628 A CA 1.346 53.343 52.037 -0.065 0.000 0.624 628 A CB -0.960 18.010 19.000 -0.050 0.000 0.822 628 A HN 0.470 nan 8.150 nan 0.000 0.444 629 L N -0.769 120.370 121.223 -0.141 0.000 2.046 629 L HA -0.179 4.162 4.340 0.001 0.000 0.208 629 L C 2.538 179.331 176.870 -0.128 0.000 1.077 629 L CA 1.280 56.027 54.840 -0.155 0.000 0.747 629 L CB -0.542 41.350 42.059 -0.277 0.000 0.896 629 L HN 0.385 nan 8.230 nan 0.000 0.432 630 I N -0.072 120.408 120.570 -0.150 0.000 2.208 630 I HA -0.315 3.856 4.170 0.001 0.000 0.245 630 I C 2.820 178.907 176.117 -0.051 0.000 1.097 630 I CA 1.246 62.468 61.300 -0.131 0.000 1.363 630 I CB -0.419 37.495 38.000 -0.144 0.000 1.051 630 I HN 0.217 nan 8.210 nan 0.000 0.413 631 A N 0.732 123.551 122.820 -0.001 0.000 1.883 631 A HA -0.237 4.084 4.320 0.001 0.000 0.217 631 A C 2.374 180.071 177.584 0.189 0.000 1.186 631 A CA 1.673 53.783 52.037 0.123 0.000 0.624 631 A CB -0.955 18.112 19.000 0.110 0.000 0.822 631 A HN 0.463 nan 8.150 nan 0.000 0.444 632 L N -0.912 120.361 121.223 0.084 0.000 1.989 632 L HA -0.258 4.083 4.340 0.001 0.000 0.211 632 L C 2.756 179.686 176.870 0.101 0.000 1.071 632 L CA 2.236 57.126 54.840 0.084 0.000 0.749 632 L CB -0.271 41.794 42.059 0.010 0.000 0.890 632 L HN 0.468 nan 8.230 nan 0.000 0.431 633 M N -0.673 118.951 119.600 0.040 0.000 2.080 633 M HA -0.239 4.242 4.480 0.001 0.000 0.260 633 M C 2.428 178.757 176.300 0.049 0.000 1.068 633 M CA 1.901 57.225 55.300 0.040 0.000 1.109 633 M CB -0.645 31.940 32.600 -0.026 0.000 1.342 633 M HN 0.485 nan 8.290 nan 0.000 0.405 634 A N -0.412 122.408 122.820 -0.001 0.000 1.917 634 A HA -0.213 4.107 4.320 0.001 0.000 0.219 634 A C 1.614 179.162 177.584 -0.061 0.000 1.182 634 A CA 1.735 53.723 52.037 -0.081 0.000 0.633 634 A CB -1.100 17.788 19.000 -0.186 0.000 0.819 634 A HN 0.571 nan 8.150 nan 0.000 0.448 635 Y N -0.565 119.808 120.300 0.122 0.000 2.471 635 Y HA 0.244 4.795 4.550 0.001 0.000 0.286 635 Y C 1.549 177.454 175.900 0.009 0.000 1.188 635 Y CA 0.369 58.511 58.100 0.070 0.000 1.286 635 Y CB -0.077 38.399 38.460 0.026 0.000 1.072 635 Y HN 0.532 nan 8.280 nan 0.000 0.517 636 I N -4.511 116.135 120.570 0.127 0.000 3.976 636 I HA 0.520 4.690 4.170 0.001 0.000 0.337 636 I C 1.453 177.608 176.117 0.063 0.000 1.359 636 I CA 0.498 61.839 61.300 0.068 0.000 1.098 636 I CB 0.310 38.408 38.000 0.165 0.000 1.027 636 I HN 0.038 nan 8.210 nan 0.000 0.394 637 G N 1.295 110.148 108.800 0.088 0.000 2.159 637 G HA2 -0.308 3.652 3.960 0.001 0.000 0.256 637 G HA3 -0.308 3.652 3.960 0.001 0.000 0.256 637 G C 0.385 175.407 174.900 0.204 0.000 0.977 637 G CA 0.357 45.532 45.100 0.125 0.000 0.652 637 G HN 0.650 nan 8.290 nan 0.000 0.531 638 S N -0.813 115.012 115.700 0.209 0.000 2.614 638 S HA 0.645 5.116 4.470 0.001 0.000 0.265 638 S C 0.621 175.425 174.600 0.341 0.000 1.303 638 S CA -0.576 57.787 58.200 0.271 0.000 1.000 638 S CB 0.402 63.743 63.200 0.235 0.000 0.935 638 S HN 0.281 nan 8.310 nan 0.000 0.551 639 Y N 0.898 121.284 120.300 0.143 0.000 2.299 639 Y HA 0.409 4.960 4.550 0.001 0.000 0.335 639 Y C 0.743 176.654 175.900 0.018 0.000 1.287 639 Y CA -0.902 57.269 58.100 0.119 0.000 1.424 639 Y CB 0.500 39.091 38.460 0.219 0.000 1.326 639 Y HN 0.501 nan 8.280 nan 0.000 0.567 640 V N -0.516 119.376 119.914 -0.036 0.000 3.001 640 V HA 0.656 4.777 4.120 0.001 0.000 0.314 640 V C -2.864 172.915 176.094 -0.525 0.000 1.099 640 V CA -2.976 59.090 62.300 -0.390 0.000 0.989 640 V CB 2.144 33.814 31.823 -0.254 0.000 1.040 640 V HN 0.603 nan 8.190 nan 0.000 0.434 641 P HA 0.611 nan 4.420 nan 0.000 0.256 641 P C -0.431 176.766 177.300 -0.171 0.000 1.689 641 P CA 0.366 63.210 63.100 -0.428 0.000 1.124 641 P CB 0.580 32.011 31.700 -0.449 0.000 1.766 642 A N 3.109 125.878 122.820 -0.085 0.000 2.540 642 A HA 0.367 4.688 4.320 0.001 0.000 0.291 642 A C 0.656 178.230 177.584 -0.017 0.000 1.083 642 A CA -0.427 51.585 52.037 -0.042 0.000 0.650 642 A CB 0.636 19.595 19.000 -0.069 0.000 1.292 642 A HN 0.178 nan 8.150 nan 0.000 0.435 643 Q N 0.084 119.879 119.800 -0.007 0.000 2.331 643 Q HA 0.146 4.487 4.340 0.001 0.000 0.203 643 Q C 0.133 176.112 176.000 -0.034 0.000 0.944 643 Q CA 1.124 56.922 55.803 -0.008 0.000 0.892 643 Q CB 0.364 29.104 28.738 0.003 0.000 0.983 643 Q HN 0.536 nan 8.270 nan 0.000 0.482 644 K N -0.433 119.937 120.400 -0.049 0.000 2.583 644 K HA 0.388 4.708 4.320 0.001 0.000 0.260 644 K C -1.932 174.616 176.600 -0.086 0.000 0.931 644 K CA -0.264 55.979 56.287 -0.073 0.000 0.849 644 K CB 2.081 34.548 32.500 -0.054 0.000 1.347 644 K HN -0.209 nan 8.250 nan 0.000 0.425 645 V N 3.280 123.118 119.914 -0.127 0.000 2.612 645 V HA 0.334 4.455 4.120 0.001 0.000 0.301 645 V C -1.121 174.874 176.094 -0.166 0.000 1.059 645 V CA -0.790 61.429 62.300 -0.134 0.000 0.886 645 V CB 1.879 33.605 31.823 -0.161 0.000 1.007 645 V HN 0.767 nan 8.190 nan 0.000 0.426 646 E N 4.575 124.706 120.200 -0.115 0.000 2.183 646 E HA 0.759 5.110 4.350 0.001 0.000 0.271 646 E C -1.020 175.544 176.600 -0.060 0.000 0.919 646 E CA -0.673 55.661 56.400 -0.110 0.000 0.781 646 E CB 3.289 32.954 29.700 -0.059 0.000 1.140 646 E HN 0.585 nan 8.360 nan 0.000 0.402 647 I N 1.100 121.649 120.570 -0.034 0.000 2.692 647 I HA 0.455 4.626 4.170 0.001 0.000 0.293 647 I C -0.294 175.952 176.117 0.215 0.000 1.200 647 I CA -0.457 60.892 61.300 0.082 0.000 1.036 647 I CB 1.681 39.732 38.000 0.086 0.000 1.258 647 I HN 0.656 nan 8.210 nan 0.000 0.421 648 G N 5.531 114.467 108.800 0.227 0.000 2.537 648 G HA2 0.606 4.567 3.960 0.001 0.000 0.297 648 G HA3 0.606 4.567 3.960 0.001 0.000 0.297 648 G C -2.921 172.178 174.900 0.331 0.000 1.310 648 G CA -1.369 43.884 45.100 0.255 0.000 1.027 648 G HN 0.370 nan 8.290 nan 0.000 0.505 649 P HA 0.310 nan 4.420 nan 0.000 0.271 649 P C -0.630 176.729 177.300 0.099 0.000 1.216 649 P CA 0.141 63.321 63.100 0.133 0.000 0.776 649 P CB 0.899 32.612 31.700 0.022 0.000 0.881 650 I N 2.987 123.467 120.570 -0.150 0.000 2.447 650 I HA 0.169 4.340 4.170 0.001 0.000 0.287 650 I C 0.799 176.805 176.117 -0.185 0.000 1.023 650 I CA -0.470 60.761 61.300 -0.116 0.000 1.083 650 I CB 2.221 40.114 38.000 -0.179 0.000 1.245 650 I HN 0.377 nan 8.210 nan 0.000 0.434 651 D N 5.438 125.809 120.400 -0.048 0.000 2.305 651 D HA 0.011 4.652 4.640 0.001 0.000 0.206 651 D C 0.651 176.889 176.300 -0.102 0.000 0.974 651 D CA 0.430 54.380 54.000 -0.082 0.000 0.871 651 D CB 0.655 41.453 40.800 -0.003 0.000 0.947 651 D HN 0.492 nan 8.370 nan 0.000 0.516 652 R N -0.858 119.586 120.500 -0.093 0.000 2.664 652 R HA 0.504 4.844 4.340 0.001 0.000 0.260 652 R C -2.026 174.151 176.300 -0.204 0.000 1.062 652 R CA -0.619 55.353 56.100 -0.213 0.000 0.902 652 R CB 0.985 31.107 30.300 -0.296 0.000 1.258 652 R HN -0.038 nan 8.270 nan 0.000 0.465 653 I N 3.953 124.336 120.570 -0.312 0.000 2.436 653 I HA 0.429 4.599 4.170 0.001 0.000 0.289 653 I C -1.089 174.857 176.117 -0.285 0.000 1.010 653 I CA -0.652 60.548 61.300 -0.165 0.000 1.098 653 I CB 1.509 39.454 38.000 -0.091 0.000 1.266 653 I HN 0.404 nan 8.210 nan 0.000 0.434 654 F N 3.245 123.198 119.950 0.004 0.000 2.495 654 F HA 0.574 5.101 4.527 0.001 0.000 0.327 654 F C 0.562 176.364 175.800 0.004 0.000 1.103 654 F CA -0.693 57.311 58.000 0.007 0.000 0.949 654 F CB 2.234 41.242 39.000 0.013 0.000 1.142 654 F HN 0.325 nan 8.300 nan 0.000 0.457 655 T N -0.215 114.446 114.554 0.179 0.000 2.887 655 T HA 0.665 5.015 4.350 0.001 0.000 0.288 655 T C -0.739 174.014 174.700 0.089 0.000 1.021 655 T CA -0.973 61.192 62.100 0.109 0.000 1.000 655 T CB 1.984 70.889 68.868 0.062 0.000 1.034 655 T HN 0.614 nan 8.240 nan 0.000 0.467 656 R N 2.277 122.805 120.500 0.046 0.000 2.629 656 R HA 0.564 4.905 4.340 0.001 0.000 0.277 656 R C -1.086 175.210 176.300 -0.006 0.000 1.637 656 R CA -0.619 55.489 56.100 0.013 0.000 1.663 656 R CB 0.005 30.299 30.300 -0.011 0.000 1.228 656 R HN 0.847 nan 8.270 nan 0.000 0.632 657 V N 0.112 120.031 119.914 0.009 0.000 2.789 657 V HA 1.012 5.133 4.120 0.001 0.000 0.311 657 V C 0.335 176.434 176.094 0.009 0.000 1.073 657 V CA 0.180 62.483 62.300 0.005 0.000 0.921 657 V CB 1.319 33.154 31.823 0.020 0.000 1.009 657 V HN 0.848 nan 8.190 nan 0.000 0.426 669 T N 4.135 118.744 114.554 0.090 0.000 2.624 669 T HA -0.093 4.257 4.350 0.001 0.000 0.268 669 T C 1.429 176.196 174.700 0.113 0.000 1.041 669 T CA 2.318 64.468 62.100 0.084 0.000 1.159 669 T CB -0.586 68.329 68.868 0.079 0.000 0.863 669 T HN 0.662 nan 8.240 nan 0.000 0.434 670 F N 1.199 121.164 119.950 0.024 0.000 2.126 670 F HA -0.118 4.410 4.527 0.001 0.000 0.299 670 F C 2.325 178.146 175.800 0.035 0.000 1.096 670 F CA 1.507 59.527 58.000 0.034 0.000 1.255 670 F CB -0.409 38.615 39.000 0.040 0.000 0.997 670 F HN 0.043 nan 8.300 nan 0.000 0.479 671 M N -0.138 119.514 119.600 0.087 0.000 2.159 671 M HA -0.150 4.331 4.480 0.001 0.000 0.263 671 M C 1.851 178.103 176.300 -0.081 0.000 1.063 671 M CA 1.705 56.995 55.300 -0.015 0.000 1.110 671 M CB -0.567 32.076 32.600 0.072 0.000 1.374 671 M HN 0.053 nan 8.290 nan 0.000 0.411 672 V N 0.170 120.060 119.914 -0.040 0.000 2.270 672 V HA -0.254 3.866 4.120 0.001 0.000 0.245 672 V C 2.140 178.193 176.094 -0.069 0.000 1.043 672 V CA 2.164 64.443 62.300 -0.036 0.000 1.014 672 V CB -0.879 30.940 31.823 -0.007 0.000 0.645 672 V HN 0.502 nan 8.190 nan 0.000 0.447 673 E N -0.412 119.731 120.200 -0.095 0.000 2.118 673 E HA -0.240 4.111 4.350 0.001 0.000 0.195 673 E C 2.202 178.698 176.600 -0.173 0.000 0.992 673 E CA 1.364 57.696 56.400 -0.113 0.000 0.804 673 E CB -0.177 29.465 29.700 -0.096 0.000 0.741 673 E HN 0.406 nan 8.360 nan 0.000 0.458 674 M N 0.021 119.440 119.600 -0.302 0.000 2.288 674 M HA -0.045 4.435 4.480 0.001 0.000 0.266 674 M C 2.205 178.425 176.300 -0.132 0.000 1.072 674 M CA 1.204 56.333 55.300 -0.285 0.000 1.132 674 M CB -0.913 31.410 32.600 -0.463 0.000 1.386 674 M HN 0.024 nan 8.290 nan 0.000 0.432 675 T N 0.542 115.036 114.554 -0.100 0.000 2.777 675 T HA -0.123 4.228 4.350 0.001 0.000 0.266 675 T C 1.753 176.447 174.700 -0.011 0.000 1.040 675 T CA 1.315 63.393 62.100 -0.036 0.000 1.141 675 T CB -0.124 68.729 68.868 -0.026 0.000 0.868 675 T HN 0.463 nan 8.240 nan 0.000 0.444 676 E N 0.520 120.709 120.200 -0.018 0.000 2.106 676 E HA -0.081 4.270 4.350 0.001 0.000 0.192 676 E C 2.405 179.005 176.600 0.000 0.000 0.984 676 E CA 1.161 57.567 56.400 0.009 0.000 0.806 676 E CB -0.175 29.531 29.700 0.010 0.000 0.750 676 E HN 0.367 nan 8.360 nan 0.000 0.458 677 T N 0.932 115.466 114.554 -0.033 0.000 2.746 677 T HA -0.158 4.193 4.350 0.001 0.000 0.267 677 T C 2.004 176.681 174.700 -0.037 0.000 1.039 677 T CA 1.183 63.259 62.100 -0.040 0.000 1.142 677 T CB -0.207 68.633 68.868 -0.047 0.000 0.866 677 T HN 0.246 nan 8.240 nan 0.000 0.444 678 A N 2.066 124.881 122.820 -0.008 0.000 1.908 678 A HA -0.197 4.123 4.320 0.001 0.000 0.218 678 A C 2.137 179.792 177.584 0.117 0.000 1.181 678 A CA 2.216 54.285 52.037 0.053 0.000 0.627 678 A CB -0.925 18.144 19.000 0.115 0.000 0.818 678 A HN 0.565 nan 8.150 nan 0.000 0.445 679 N N 0.011 118.766 118.700 0.093 0.000 2.166 679 N HA -0.098 4.643 4.740 0.001 0.000 0.186 679 N C 1.461 176.985 175.510 0.024 0.000 1.019 679 N CA 1.771 54.892 53.050 0.117 0.000 0.856 679 N CB -0.412 38.149 38.487 0.124 0.000 0.993 679 N HN 0.524 nan 8.380 nan 0.000 0.426 680 I N 0.114 120.605 120.570 -0.132 0.000 2.226 680 I HA -0.252 3.919 4.170 0.001 0.000 0.245 680 I C 1.866 177.741 176.117 -0.403 0.000 1.100 680 I CA 0.940 61.922 61.300 -0.531 0.000 1.374 680 I CB -0.238 37.503 38.000 -0.431 0.000 1.057 680 I HN 0.218 nan 8.210 nan 0.000 0.413 681 L N -0.554 120.534 121.223 -0.224 0.000 2.217 681 L HA -0.163 4.178 4.340 0.001 0.000 0.211 681 L C 2.464 179.196 176.870 -0.229 0.000 1.107 681 L CA 0.874 55.578 54.840 -0.226 0.000 0.783 681 L CB -0.745 41.177 42.059 -0.229 0.000 0.919 681 L HN 0.365 nan 8.230 nan 0.000 0.442 682 H N -0.307 118.720 119.070 -0.072 0.000 2.512 682 H HA 0.088 4.644 4.556 0.001 0.000 0.279 682 H C 1.200 176.522 175.328 -0.010 0.000 0.999 682 H CA 0.817 56.847 56.048 -0.029 0.000 1.283 682 H CB 0.480 30.238 29.762 -0.007 0.000 1.421 682 H HN 0.396 nan 8.280 nan 0.000 0.554 683 N N -0.137 118.611 118.700 0.081 0.000 2.193 683 N HA 0.115 4.856 4.740 0.001 0.000 0.210 683 N C 0.414 176.025 175.510 0.167 0.000 1.215 683 N CA 0.043 53.184 53.050 0.150 0.000 0.901 683 N CB 1.298 39.946 38.487 0.270 0.000 1.060 683 N HN 0.036 nan 8.380 nan 0.000 0.508 684 A N 1.319 124.084 122.820 -0.092 0.000 2.407 684 A HA 0.487 4.808 4.320 0.001 0.000 0.248 684 A C 0.885 178.498 177.584 0.048 0.000 1.082 684 A CA 0.144 52.149 52.037 -0.053 0.000 0.785 684 A CB 0.276 19.038 19.000 -0.395 0.000 1.020 684 A HN 0.237 nan 8.150 nan 0.000 0.489 685 T N -1.691 112.936 114.554 0.121 0.000 2.724 685 T HA 0.474 4.824 4.350 0.001 0.000 0.274 685 T C 0.565 175.286 174.700 0.035 0.000 0.984 685 T CA 0.115 62.266 62.100 0.086 0.000 1.024 685 T CB 0.818 69.781 68.868 0.158 0.000 1.320 685 T HN 0.673 nan 8.240 nan 0.000 0.555 686 E N -0.525 119.643 120.200 -0.053 0.000 2.516 686 E HA -0.010 4.340 4.350 0.001 0.000 0.199 686 E C 0.154 176.554 176.600 -0.333 0.000 1.069 686 E CA 0.664 56.938 56.400 -0.209 0.000 0.876 686 E CB -0.536 28.975 29.700 -0.316 0.000 0.843 686 E HN 0.700 nan 8.360 nan 0.000 0.530 687 Y N 0.927 121.246 120.300 0.031 0.000 2.507 687 Y HA 0.298 4.848 4.550 0.001 0.000 0.254 687 Y C 0.387 176.307 175.900 0.034 0.000 1.171 687 Y CA -0.444 57.669 58.100 0.022 0.000 1.238 687 Y CB 0.788 39.249 38.460 0.001 0.000 1.148 687 Y HN -0.102 nan 8.280 nan 0.000 0.525 688 S N 1.089 116.891 115.700 0.171 0.000 2.616 688 S HA 0.422 4.893 4.470 0.001 0.000 0.277 688 S C -0.891 173.805 174.600 0.160 0.000 1.234 688 S CA -0.561 57.764 58.200 0.209 0.000 1.028 688 S CB 1.405 64.817 63.200 0.354 0.000 0.988 688 S HN 0.175 nan 8.310 nan 0.000 0.522 689 L N 3.743 125.066 121.223 0.168 0.000 2.280 689 L HA 0.593 4.934 4.340 0.001 0.000 0.287 689 L C -1.188 175.804 176.870 0.205 0.000 1.023 689 L CA -0.272 54.648 54.840 0.132 0.000 0.819 689 L CB 0.898 43.004 42.059 0.078 0.000 1.212 689 L HN 0.404 nan 8.230 nan 0.000 0.420 690 V N 6.843 126.853 119.914 0.160 0.000 2.384 690 V HA 0.471 4.591 4.120 0.001 0.000 0.287 690 V C -0.161 176.000 176.094 0.111 0.000 1.020 690 V CA -0.480 61.913 62.300 0.155 0.000 0.850 690 V CB 1.483 33.343 31.823 0.063 0.000 0.987 690 V HN 0.597 nan 8.190 nan 0.000 0.436 691 L N 6.249 127.534 121.223 0.104 0.000 2.325 691 L HA 0.691 5.031 4.340 0.001 0.000 0.281 691 L C -0.455 176.430 176.870 0.026 0.000 1.004 691 L CA -0.262 54.615 54.840 0.063 0.000 0.823 691 L CB 1.664 43.754 42.059 0.051 0.000 1.236 691 L HN 0.501 nan 8.230 nan 0.000 0.415 692 M N 3.147 122.726 119.600 -0.035 0.000 2.327 692 M HA 0.360 4.841 4.480 0.001 0.000 0.298 692 M C -1.089 175.089 176.300 -0.203 0.000 1.065 692 M CA -0.509 54.703 55.300 -0.147 0.000 0.916 692 M CB 2.473 34.905 32.600 -0.281 0.000 1.630 692 M HN 0.384 nan 8.290 nan 0.000 0.442 693 N N 2.175 120.789 118.700 -0.142 0.000 2.446 693 N HA 0.226 4.967 4.740 0.001 0.000 0.265 693 N C -0.835 174.607 175.510 -0.114 0.000 0.975 693 N CA 0.180 53.165 53.050 -0.108 0.000 0.928 693 N CB 0.870 39.332 38.487 -0.041 0.000 1.160 693 N HN 0.702 nan 8.380 nan 0.000 0.495 694 E N 1.466 121.602 120.200 -0.106 0.000 2.269 694 E HA -0.234 4.117 4.350 0.001 0.000 0.223 694 E C -0.093 176.529 176.600 0.038 0.000 1.244 694 E CA 0.369 56.764 56.400 -0.008 0.000 0.713 694 E CB -1.404 28.253 29.700 -0.071 0.000 1.178 694 E HN 0.652 nan 8.360 nan 0.000 0.370 695 I N -3.286 117.294 120.570 0.018 0.000 2.836 695 I HA 0.381 4.552 4.170 0.001 0.000 0.285 695 I C 1.534 177.874 176.117 0.372 0.000 1.174 695 I CA 0.483 61.859 61.300 0.126 0.000 1.405 695 I CB 0.998 39.034 38.000 0.060 0.000 1.385 695 I HN 0.210 nan 8.210 nan 0.000 0.594 696 G N 3.653 112.702 108.800 0.415 0.000 2.307 696 G HA2 -0.176 3.785 3.960 0.001 0.000 0.210 696 G HA3 -0.176 3.785 3.960 0.001 0.000 0.210 696 G C 0.430 175.620 174.900 0.483 0.000 1.005 696 G CA -0.561 44.886 45.100 0.579 0.000 0.634 696 G HN 0.668 nan 8.290 nan 0.000 0.496 697 R N 0.874 121.559 120.500 0.309 0.000 2.640 697 R HA 0.406 4.747 4.340 0.001 0.000 0.270 697 R C 1.498 177.937 176.300 0.231 0.000 1.024 697 R CA 1.243 57.432 56.100 0.150 0.000 1.085 697 R CB 0.097 30.389 30.300 -0.012 0.000 0.963 697 R HN 1.601 nan 8.270 nan 0.000 0.426 698 G N 0.411 109.276 108.800 0.108 0.000 2.176 698 G HA2 -0.266 3.695 3.960 0.001 0.000 0.232 698 G HA3 -0.266 3.695 3.960 0.001 0.000 0.232 698 G C 0.302 175.061 174.900 -0.234 0.000 0.986 698 G CA 0.557 45.684 45.100 0.045 0.000 0.643 698 G HN 0.781 nan 8.290 nan 0.000 0.522 699 T N -0.667 113.751 114.554 -0.228 0.000 2.626 699 T HA 0.694 5.045 4.350 0.001 0.000 0.279 699 T C 0.861 175.504 174.700 -0.095 0.000 0.983 699 T CA 1.019 62.910 62.100 -0.348 0.000 1.059 699 T CB 0.982 69.443 68.868 -0.678 0.000 1.396 699 T HN 1.348 nan 8.240 nan 0.000 0.519 700 S N 0.386 116.042 115.700 -0.074 0.000 2.584 700 S HA 0.174 4.645 4.470 0.001 0.000 0.270 700 S C 1.425 176.070 174.600 0.076 0.000 1.346 700 S CA 0.295 58.486 58.200 -0.014 0.000 1.018 700 S CB 0.278 63.461 63.200 -0.029 0.000 0.899 700 S HN 0.751 nan 8.310 nan 0.000 0.542 701 T N 1.360 115.953 114.554 0.065 0.000 2.624 701 T HA -0.153 4.197 4.350 0.001 0.000 0.268 701 T C 1.321 176.169 174.700 0.246 0.000 1.041 701 T CA 2.059 64.260 62.100 0.168 0.000 1.159 701 T CB -0.664 68.219 68.868 0.026 0.000 0.863 701 T HN 0.678 nan 8.240 nan 0.000 0.434 702 Y N 1.714 122.037 120.300 0.037 0.000 2.220 702 Y HA -0.019 4.531 4.550 0.002 0.000 0.291 702 Y C 2.551 178.437 175.900 -0.023 0.000 1.129 702 Y CA -0.164 57.926 58.100 -0.015 0.000 1.161 702 Y CB -0.899 37.548 38.460 -0.022 0.000 0.997 702 Y HN 0.284 nan 8.280 nan 0.000 0.522 703 D N -0.649 119.851 120.400 0.167 0.000 2.097 703 D HA -0.133 4.508 4.640 0.001 0.000 0.195 703 D C 2.388 178.766 176.300 0.131 0.000 0.989 703 D CA 1.530 55.597 54.000 0.111 0.000 0.827 703 D CB -0.493 40.352 40.800 0.074 0.000 0.966 703 D HN 0.409 nan 8.370 nan 0.000 0.456 704 G N 1.296 110.198 108.800 0.170 0.000 2.421 704 G HA2 -0.217 3.743 3.960 0.001 0.000 0.216 704 G HA3 -0.217 3.743 3.960 0.001 0.000 0.216 704 G C 1.653 176.559 174.900 0.010 0.000 1.171 704 G CA 0.417 45.676 45.100 0.265 0.000 0.775 704 G HN 0.192 nan 8.290 nan 0.000 0.543 705 L N 1.342 122.376 121.223 -0.315 0.000 2.012 705 L HA -0.033 4.307 4.340 0.001 0.000 0.210 705 L C 2.910 179.677 176.870 -0.172 0.000 1.073 705 L CA 2.476 56.923 54.840 -0.654 0.000 0.748 705 L CB -0.778 41.021 42.059 -0.434 0.000 0.891 705 L HN 0.182 nan 8.230 nan 0.000 0.431 706 S N -0.517 115.142 115.700 -0.069 0.000 2.382 706 S HA -0.147 4.324 4.470 0.001 0.000 0.228 706 S C 1.928 176.570 174.600 0.069 0.000 1.027 706 S CA 1.657 59.840 58.200 -0.028 0.000 0.991 706 S CB -0.447 62.724 63.200 -0.048 0.000 0.823 706 S HN 0.450 nan 8.310 nan 0.000 0.469 707 L N 1.017 122.302 121.223 0.102 0.000 2.056 707 L HA -0.065 4.275 4.340 0.001 0.000 0.207 707 L C 2.806 179.791 176.870 0.193 0.000 1.078 707 L CA 1.136 56.066 54.840 0.151 0.000 0.749 707 L CB -0.690 41.490 42.059 0.202 0.000 0.901 707 L HN 0.310 nan 8.230 nan 0.000 0.433 708 A N -0.448 122.506 122.820 0.224 0.000 1.902 708 A HA -0.267 4.054 4.320 0.001 0.000 0.217 708 A C 2.165 179.875 177.584 0.210 0.000 1.181 708 A CA 1.464 53.719 52.037 0.363 0.000 0.623 708 A CB -1.018 18.235 19.000 0.421 0.000 0.818 708 A HN 0.639 nan 8.150 nan 0.000 0.443 709 W N 0.626 121.891 121.300 -0.058 0.000 2.354 709 W HA -0.183 4.478 4.660 0.001 0.000 0.315 709 W C 2.517 178.965 176.519 -0.118 0.000 1.206 709 W CA 2.262 59.531 57.345 -0.125 0.000 1.290 709 W CB -0.664 28.715 29.460 -0.134 0.000 1.152 709 W HN 0.421 nan 8.180 nan 0.000 0.489 710 A N -0.077 122.906 122.820 0.272 0.000 1.940 710 A HA -0.241 4.079 4.320 0.001 0.000 0.219 710 A C 2.176 179.789 177.584 0.048 0.000 1.176 710 A CA 2.017 54.144 52.037 0.149 0.000 0.631 710 A CB -1.423 17.635 19.000 0.098 0.000 0.814 710 A HN 0.367 nan 8.150 nan 0.000 0.446 711 C N -1.223 118.113 119.300 0.061 0.000 2.453 711 C HA 0.102 4.562 4.460 0.001 0.000 0.277 711 C C 3.334 178.279 174.990 -0.074 0.000 1.262 711 C CA 0.674 59.722 59.018 0.050 0.000 1.718 711 C CB -1.319 26.535 27.740 0.190 0.000 2.031 711 C HN 0.714 nan 8.230 nan 0.000 0.480 712 A N 0.561 123.196 122.820 -0.309 0.000 1.883 712 A HA -0.233 4.087 4.320 0.001 0.000 0.217 712 A C 2.036 179.396 177.584 -0.373 0.000 1.186 712 A CA 1.856 53.503 52.037 -0.651 0.000 0.624 712 A CB -0.670 17.684 19.000 -1.077 0.000 0.822 712 A HN 0.704 nan 8.150 nan 0.000 0.444 713 E N -0.770 119.262 120.200 -0.279 0.000 2.058 713 E HA -0.264 4.087 4.350 0.001 0.000 0.194 713 E C 2.040 178.570 176.600 -0.118 0.000 0.997 713 E CA 1.494 57.791 56.400 -0.172 0.000 0.801 713 E CB -0.253 29.417 29.700 -0.050 0.000 0.746 713 E HN 0.727 nan 8.360 nan 0.000 0.450 714 N N 0.422 119.068 118.700 -0.090 0.000 2.120 714 N HA -0.130 4.611 4.740 0.001 0.000 0.188 714 N C 1.813 177.272 175.510 -0.086 0.000 1.024 714 N CA 0.761 53.767 53.050 -0.074 0.000 0.852 714 N CB -0.009 38.439 38.487 -0.064 0.000 1.003 714 N HN 0.043 nan 8.380 nan 0.000 0.424 715 L N -0.451 120.713 121.223 -0.098 0.000 2.093 715 L HA -0.028 4.313 4.340 0.001 0.000 0.208 715 L C 2.333 179.147 176.870 -0.093 0.000 1.085 715 L CA 1.169 55.957 54.840 -0.086 0.000 0.755 715 L CB -0.386 41.637 42.059 -0.059 0.000 0.904 715 L HN 0.257 nan 8.230 nan 0.000 0.435 716 A N -0.478 122.268 122.820 -0.123 0.000 1.930 716 A HA -0.100 4.220 4.320 0.001 0.000 0.215 716 A C 1.964 179.493 177.584 -0.091 0.000 1.176 716 A CA 1.437 53.404 52.037 -0.116 0.000 0.632 716 A CB -0.219 18.687 19.000 -0.158 0.000 0.819 716 A HN 0.381 nan 8.150 nan 0.000 0.445 717 N N -1.238 117.410 118.700 -0.086 0.000 2.482 717 N HA 0.034 4.775 4.740 0.001 0.000 0.179 717 N C 1.560 177.037 175.510 -0.055 0.000 1.039 717 N CA 1.295 54.305 53.050 -0.066 0.000 0.884 717 N CB 0.026 38.478 38.487 -0.058 0.000 1.113 717 N HN 0.646 nan 8.380 nan 0.000 0.440 718 K N 0.842 121.207 120.400 -0.057 0.000 2.102 718 K HA 0.227 4.547 4.320 0.001 0.000 0.206 718 K C 1.833 178.402 176.600 -0.051 0.000 1.031 718 K CA 0.348 56.606 56.287 -0.049 0.000 0.962 718 K CB -0.061 32.411 32.500 -0.048 0.000 0.811 718 K HN -0.116 nan 8.250 nan 0.000 0.453 719 I N 1.246 121.781 120.570 -0.059 0.000 2.202 719 I HA -0.172 3.999 4.170 0.001 0.000 0.242 719 I C 0.514 176.594 176.117 -0.063 0.000 1.091 719 I CA 1.208 62.474 61.300 -0.058 0.000 1.368 719 I CB -0.098 37.859 38.000 -0.070 0.000 1.058 719 I HN 0.314 nan 8.210 nan 0.000 0.410 720 K N 0.015 120.374 120.400 -0.068 0.000 3.230 720 K HA -0.154 4.167 4.320 0.001 0.000 0.285 720 K C 0.212 176.767 176.600 -0.074 0.000 1.196 720 K CA 0.223 56.466 56.287 -0.074 0.000 0.838 720 K CB -1.933 30.517 32.500 -0.084 0.000 1.262 720 K HN 0.430 nan 8.250 nan 0.000 0.492 721 A N 0.873 123.661 122.820 -0.053 0.000 2.406 721 A HA 0.352 4.673 4.320 0.001 0.000 0.243 721 A C 0.604 178.180 177.584 -0.013 0.000 1.082 721 A CA -0.203 51.820 52.037 -0.025 0.000 0.786 721 A CB 0.280 19.279 19.000 -0.002 0.000 1.029 721 A HN 0.308 nan 8.150 nan 0.000 0.495 722 L N 1.712 122.940 121.223 0.009 0.000 2.361 722 L HA 0.311 4.651 4.340 0.001 0.000 0.278 722 L C -0.083 176.814 176.870 0.046 0.000 1.113 722 L CA 0.200 55.053 54.840 0.022 0.000 0.849 722 L CB 0.374 42.451 42.059 0.030 0.000 1.155 722 L HN 0.699 nan 8.230 nan 0.000 0.452 723 T N 4.501 119.085 114.554 0.051 0.000 2.881 723 T HA 0.497 4.847 4.350 0.001 0.000 0.290 723 T C -0.271 174.498 174.700 0.115 0.000 1.000 723 T CA -0.551 61.602 62.100 0.088 0.000 0.978 723 T CB 1.620 70.549 68.868 0.101 0.000 0.997 723 T HN 0.283 nan 8.240 nan 0.000 0.443 724 L N 3.375 124.674 121.223 0.127 0.000 2.262 724 L HA 0.529 4.870 4.340 0.001 0.000 0.288 724 L C -0.822 176.165 176.870 0.196 0.000 1.035 724 L CA -0.718 54.216 54.840 0.157 0.000 0.820 724 L CB 0.579 42.712 42.059 0.123 0.000 1.204 724 L HN 0.615 nan 8.230 nan 0.000 0.424 725 F N 3.655 123.642 119.950 0.060 0.000 2.307 725 F HA 0.564 5.092 4.527 0.001 0.000 0.369 725 F C 0.553 176.401 175.800 0.080 0.000 1.076 725 F CA -0.666 57.367 58.000 0.055 0.000 1.149 725 F CB 0.777 39.789 39.000 0.020 0.000 1.410 725 F HN 0.487 nan 8.300 nan 0.000 0.481 726 A N 3.755 126.577 122.820 0.003 0.000 2.409 726 A HA 0.602 4.922 4.320 0.001 0.000 0.262 726 A C 0.079 177.671 177.584 0.014 0.000 1.113 726 A CA 0.083 52.152 52.037 0.054 0.000 0.790 726 A CB 0.613 19.639 19.000 0.043 0.000 1.046 726 A HN 0.632 nan 8.150 nan 0.000 0.496 727 T N -0.175 114.462 114.554 0.139 0.000 2.853 727 T HA 0.467 4.817 4.350 0.001 0.000 0.311 727 T C 0.502 175.323 174.700 0.200 0.000 1.307 727 T CA -0.243 61.974 62.100 0.195 0.000 1.019 727 T CB 0.815 69.884 68.868 0.334 0.000 1.264 727 T HN 0.851 nan 8.240 nan 0.000 0.497 728 H N 1.411 120.437 119.070 -0.073 0.000 2.592 728 H HA 0.194 4.751 4.556 0.001 0.000 0.265 728 H C -0.373 174.950 175.328 -0.008 0.000 0.955 728 H CA -0.080 55.927 56.048 -0.068 0.000 1.175 728 H CB -0.531 29.134 29.762 -0.162 0.000 1.433 728 H HN 0.463 nan 8.280 nan 0.000 0.537 729 Y N 1.613 121.752 120.300 -0.268 0.000 2.730 729 Y HA 0.005 4.556 4.550 0.001 0.000 0.354 729 Y C 1.230 177.163 175.900 0.054 0.000 1.139 729 Y CA -0.502 57.506 58.100 -0.154 0.000 1.516 729 Y CB -0.348 38.057 38.460 -0.092 0.000 1.204 729 Y HN 0.064 nan 8.280 nan 0.000 0.520 730 F N 2.077 122.105 119.950 0.131 0.000 2.202 730 F HA -0.197 4.331 4.527 0.001 0.000 0.301 730 F C 1.612 177.489 175.800 0.127 0.000 1.082 730 F CA 1.553 59.617 58.000 0.108 0.000 1.313 730 F CB 0.104 39.150 39.000 0.076 0.000 1.024 730 F HN 0.438 nan 8.300 nan 0.000 0.495 731 E N 0.477 120.752 120.200 0.125 0.000 2.209 731 E HA -0.186 4.165 4.350 0.001 0.000 0.196 731 E C 2.231 178.847 176.600 0.026 0.000 0.993 731 E CA 1.148 57.597 56.400 0.081 0.000 0.819 731 E CB -0.456 29.372 29.700 0.214 0.000 0.745 731 E HN 0.456 nan 8.360 nan 0.000 0.477 732 L N 0.615 121.833 121.223 -0.009 0.000 2.291 732 L HA -0.074 4.267 4.340 0.001 0.000 0.214 732 L C 2.084 178.782 176.870 -0.287 0.000 1.120 732 L CA 1.417 56.153 54.840 -0.173 0.000 0.799 732 L CB -0.754 41.285 42.059 -0.032 0.000 0.925 732 L HN 0.318 nan 8.230 nan 0.000 0.446 733 T N -3.868 110.500 114.554 -0.310 0.000 3.155 733 T HA -0.140 4.211 4.350 0.001 0.000 0.264 733 T C 1.556 176.074 174.700 -0.304 0.000 1.160 733 T CA 0.547 62.453 62.100 -0.323 0.000 1.075 733 T CB -0.081 68.530 68.868 -0.429 0.000 0.921 733 T HN 0.266 nan 8.240 nan 0.000 0.533 734 Q N 0.263 119.890 119.800 -0.289 0.000 2.424 734 Q HA 0.302 4.643 4.340 0.001 0.000 0.204 734 Q C 2.243 178.124 176.000 -0.198 0.000 0.933 734 Q CA 0.174 55.876 55.803 -0.169 0.000 0.929 734 Q CB -0.276 28.453 28.738 -0.014 0.000 1.037 734 Q HN 0.542 nan 8.270 nan 0.000 0.511 735 L N 0.977 121.975 121.223 -0.375 0.000 2.043 735 L HA -0.187 4.154 4.340 0.001 0.000 0.212 735 L C -0.559 176.169 176.870 -0.236 0.000 1.075 735 L CA 1.520 56.104 54.840 -0.427 0.000 0.752 735 L CB -1.746 39.959 42.059 -0.589 0.000 0.891 735 L HN 0.135 nan 8.230 nan 0.000 0.432 736 P HA -0.157 nan 4.420 nan 0.000 0.219 736 P C 1.122 178.374 177.300 -0.080 0.000 1.146 736 P CA 1.181 64.212 63.100 -0.115 0.000 0.808 736 P CB 0.102 31.750 31.700 -0.087 0.000 0.779 737 E N -0.279 119.878 120.200 -0.071 0.000 2.107 737 E HA -0.093 4.258 4.350 0.001 0.000 0.191 737 E C 1.642 178.225 176.600 -0.029 0.000 0.982 737 E CA 1.063 57.440 56.400 -0.039 0.000 0.809 737 E CB -0.387 29.299 29.700 -0.023 0.000 0.756 737 E HN 0.260 nan 8.360 nan 0.000 0.459 738 K N -0.559 119.821 120.400 -0.033 0.000 2.426 738 K HA 0.207 4.528 4.320 0.001 0.000 0.193 738 K C 0.174 176.756 176.600 -0.030 0.000 1.028 738 K CA 0.202 56.485 56.287 -0.007 0.000 1.047 738 K CB 0.466 32.996 32.500 0.051 0.000 0.821 738 K HN 0.075 nan 8.250 nan 0.000 0.513 739 M N 1.222 120.784 119.600 -0.064 0.000 2.255 739 M HA 0.158 4.638 4.480 0.001 0.000 0.275 739 M C -1.626 174.629 176.300 -0.075 0.000 1.050 739 M CA -0.583 54.669 55.300 -0.078 0.000 0.978 739 M CB 2.164 34.686 32.600 -0.130 0.000 1.761 739 M HN -0.209 nan 8.290 nan 0.000 0.479 740 E N 1.429 121.594 120.200 -0.058 0.000 2.390 740 E HA 0.533 4.884 4.350 0.001 0.000 0.261 740 E C 0.954 177.519 176.600 -0.059 0.000 1.076 740 E CA 1.562 57.932 56.400 -0.050 0.000 0.905 740 E CB 0.607 30.284 29.700 -0.038 0.000 0.984 740 E HN 0.854 nan 8.360 nan 0.000 0.427 741 G N 0.457 109.227 108.800 -0.050 0.000 2.179 741 G HA2 -0.230 3.731 3.960 0.001 0.000 0.260 741 G HA3 -0.230 3.731 3.960 0.001 0.000 0.260 741 G C -0.051 174.815 174.900 -0.056 0.000 0.977 741 G CA 0.255 45.326 45.100 -0.048 0.000 0.641 741 G HN 0.361 nan 8.290 nan 0.000 0.533 742 V N 0.081 119.953 119.914 -0.071 0.000 2.715 742 V HA 0.957 5.078 4.120 0.001 0.000 0.310 742 V C 0.415 176.472 176.094 -0.062 0.000 1.054 742 V CA -0.113 62.136 62.300 -0.083 0.000 0.928 742 V CB 1.692 33.431 31.823 -0.140 0.000 1.007 742 V HN 1.476 nan 8.190 nan 0.000 0.437 743 A N 3.069 125.863 122.820 -0.043 0.000 2.594 743 A HA 0.778 5.099 4.320 0.001 0.000 0.291 743 A C -1.140 176.441 177.584 -0.005 0.000 1.105 743 A CA -0.811 51.214 52.037 -0.021 0.000 0.694 743 A CB 1.710 20.711 19.000 0.002 0.000 1.291 743 A HN 0.681 nan 8.150 nan 0.000 0.410 744 N N -0.073 118.633 118.700 0.010 0.000 2.405 744 N HA 0.635 5.375 4.740 0.001 0.000 0.299 744 N C -0.660 174.900 175.510 0.084 0.000 1.075 744 N CA -0.038 53.036 53.050 0.039 0.000 0.884 744 N CB 1.972 40.474 38.487 0.026 0.000 1.194 744 N HN 0.996 nan 8.380 nan 0.000 0.491 745 V N -0.940 119.042 119.914 0.112 0.000 3.181 745 V HA 0.713 4.833 4.120 0.001 0.000 0.308 745 V C -0.902 175.304 176.094 0.186 0.000 1.214 745 V CA -0.795 61.580 62.300 0.126 0.000 1.053 745 V CB 2.579 34.421 31.823 0.031 0.000 1.069 745 V HN 0.900 nan 8.190 nan 0.000 0.441 746 H N 0.686 119.758 119.070 0.003 0.000 3.014 746 H HA 0.683 5.240 4.556 0.001 0.000 0.337 746 H C -2.057 173.261 175.328 -0.018 0.000 1.320 746 H CA -1.088 54.974 56.048 0.023 0.000 1.128 746 H CB 1.670 31.475 29.762 0.072 0.000 1.862 746 H HN 0.781 nan 8.280 nan 0.000 0.536 747 L N 1.722 122.925 121.223 -0.033 0.000 2.334 747 L HA 0.330 4.671 4.340 0.001 0.000 0.275 747 L C -0.051 176.856 176.870 0.063 0.000 1.036 747 L CA -0.729 54.048 54.840 -0.104 0.000 0.807 747 L CB 1.488 43.515 42.059 -0.053 0.000 1.231 747 L HN 0.715 nan 8.230 nan 0.000 0.438 748 D N 1.045 121.438 120.400 -0.012 0.000 2.654 748 D HA 0.790 5.431 4.640 0.001 0.000 0.255 748 D C -0.948 175.272 176.300 -0.133 0.000 1.101 748 D CA -0.695 53.345 54.000 0.068 0.000 1.116 748 D CB 1.887 42.786 40.800 0.165 0.000 1.348 748 D HN 0.554 nan 8.370 nan 0.000 0.609 749 A N -0.783 121.916 122.820 -0.202 0.000 2.479 749 A HA 0.681 5.002 4.320 0.001 0.000 0.296 749 A C -1.642 175.826 177.584 -0.194 0.000 1.121 749 A CA -0.694 51.098 52.037 -0.409 0.000 0.743 749 A CB 1.199 19.595 19.000 -1.007 0.000 1.323 749 A HN 0.363 nan 8.150 nan 0.000 0.415 750 L N 0.759 121.861 121.223 -0.202 0.000 2.385 750 L HA 0.460 4.800 4.340 0.001 0.000 0.273 750 L C -0.355 176.499 176.870 -0.027 0.000 0.990 750 L CA 0.110 54.909 54.840 -0.069 0.000 0.821 750 L CB 1.994 44.025 42.059 -0.047 0.000 1.279 750 L HN 0.773 nan 8.230 nan 0.000 0.412 751 E N 2.578 122.783 120.200 0.008 0.000 2.113 751 E HA 0.483 4.833 4.350 0.001 0.000 0.273 751 E C -1.248 175.393 176.600 0.067 0.000 0.924 751 E CA -0.492 55.906 56.400 -0.004 0.000 0.764 751 E CB 1.171 30.855 29.700 -0.026 0.000 1.104 751 E HN 0.670 nan 8.360 nan 0.000 0.406 752 H N 0.663 119.701 119.070 -0.053 0.000 2.946 752 H HA 0.663 5.220 4.556 0.002 0.000 0.365 752 H C 0.741 176.052 175.328 -0.027 0.000 1.197 752 H CA -0.541 55.486 56.048 -0.036 0.000 1.131 752 H CB 1.020 30.761 29.762 -0.035 0.000 1.849 752 H HN 0.566 nan 8.280 nan 0.000 0.555 753 G N 0.589 109.368 108.800 -0.036 0.000 2.602 753 G HA2 -0.353 3.608 3.960 0.001 0.000 0.317 753 G HA3 -0.353 3.608 3.960 0.001 0.000 0.317 753 G C -0.018 174.800 174.900 -0.136 0.000 1.327 753 G CA 0.736 45.787 45.100 -0.082 0.000 0.971 753 G HN 0.885 nan 8.290 nan 0.000 0.540 754 D N 1.152 121.471 120.400 -0.134 0.000 2.561 754 D HA 0.383 5.024 4.640 0.001 0.000 0.232 754 D C 0.719 176.939 176.300 -0.134 0.000 1.198 754 D CA 1.070 55.008 54.000 -0.103 0.000 0.826 754 D CB 0.508 41.274 40.800 -0.058 0.000 0.992 754 D HN 0.391 nan 8.370 nan 0.000 0.490 755 T N -0.158 114.254 114.554 -0.237 0.000 2.645 755 T HA 0.524 4.874 4.350 0.001 0.000 0.300 755 T C -1.759 172.778 174.700 -0.272 0.000 1.210 755 T CA -0.580 61.386 62.100 -0.225 0.000 1.034 755 T CB 1.833 70.570 68.868 -0.218 0.000 1.537 755 T HN 0.020 nan 8.240 nan 0.000 0.492 756 I N 1.479 121.930 120.570 -0.198 0.000 2.533 756 I HA 0.745 4.916 4.170 0.001 0.000 0.290 756 I C -0.874 175.111 176.117 -0.220 0.000 1.056 756 I CA -0.958 60.191 61.300 -0.252 0.000 1.057 756 I CB 1.558 39.348 38.000 -0.349 0.000 1.240 756 I HN 0.748 nan 8.210 nan 0.000 0.423 757 A N 7.257 129.988 122.820 -0.149 0.000 2.253 757 A HA 0.519 4.839 4.320 0.001 0.000 0.316 757 A C -1.036 176.374 177.584 -0.290 0.000 1.327 757 A CA -0.298 51.700 52.037 -0.065 0.000 0.917 757 A CB -0.166 18.886 19.000 0.088 0.000 1.162 757 A HN 0.607 nan 8.150 nan 0.000 0.535 758 F N 4.179 124.019 119.950 -0.183 0.000 2.468 758 F HA 0.160 4.687 4.527 0.001 0.000 0.356 758 F C 0.934 176.412 175.800 -0.537 0.000 1.167 758 F CA -0.090 57.709 58.000 -0.335 0.000 1.135 758 F CB 0.401 39.218 39.000 -0.305 0.000 1.197 758 F HN 0.447 nan 8.300 nan 0.000 0.569 759 M N 3.341 122.752 119.600 -0.314 0.000 2.252 759 M HA 0.014 4.495 4.480 0.001 0.000 0.333 759 M C 0.387 176.410 176.300 -0.462 0.000 1.111 759 M CA 0.469 55.572 55.300 -0.328 0.000 1.140 759 M CB 0.108 32.596 32.600 -0.186 0.000 1.538 759 M HN 0.565 nan 8.290 nan 0.000 0.448 760 H N -1.033 117.975 119.070 -0.103 0.000 2.486 760 H HA 0.255 4.812 4.556 0.001 0.000 0.284 760 H C 0.080 175.309 175.328 -0.166 0.000 1.103 760 H CA -0.198 55.764 56.048 -0.142 0.000 1.089 760 H CB 0.502 30.133 29.762 -0.218 0.000 1.603 760 H HN 0.554 nan 8.280 nan 0.000 0.557 761 S N 1.433 117.075 115.700 -0.096 0.000 2.438 761 S HA 0.278 4.749 4.470 0.001 0.000 0.293 761 S C -0.047 174.428 174.600 -0.208 0.000 1.141 761 S CA -0.702 57.424 58.200 -0.122 0.000 1.080 761 S CB 0.182 63.322 63.200 -0.101 0.000 0.978 761 S HN 0.117 nan 8.310 nan 0.000 0.479 762 V N 7.056 126.815 119.914 -0.259 0.000 2.408 762 V HA 0.327 4.448 4.120 0.001 0.000 0.267 762 V C 0.221 176.155 176.094 -0.267 0.000 1.047 762 V CA -0.231 61.852 62.300 -0.362 0.000 0.937 762 V CB 0.754 32.206 31.823 -0.618 0.000 0.999 762 V HN 0.828 nan 8.190 nan 0.000 0.472 763 Q N 2.445 122.038 119.800 -0.346 0.000 2.399 763 Q HA 0.435 4.776 4.340 0.001 0.000 0.276 763 Q C -1.049 174.880 176.000 -0.117 0.000 1.098 763 Q CA -1.087 54.572 55.803 -0.239 0.000 0.827 763 Q CB 2.079 30.652 28.738 -0.275 0.000 1.386 763 Q HN 0.600 nan 8.270 nan 0.000 0.443 764 D N 0.642 121.052 120.400 0.017 0.000 2.419 764 D HA 0.298 4.938 4.640 0.001 0.000 0.236 764 D C 0.624 177.057 176.300 0.222 0.000 1.165 764 D CA 1.381 55.438 54.000 0.096 0.000 0.882 764 D CB 0.642 41.481 40.800 0.065 0.000 1.201 764 D HN 0.766 nan 8.370 nan 0.000 0.443 765 G N -0.420 108.485 108.800 0.174 0.000 2.707 765 G HA2 0.233 4.193 3.960 0.001 0.000 0.686 765 G HA3 0.233 4.193 3.960 0.001 0.000 0.686 765 G C -0.358 174.627 174.900 0.141 0.000 1.315 765 G CA -0.348 44.831 45.100 0.133 0.000 0.832 765 G HN 0.698 nan 8.290 nan 0.000 0.573 766 A N 0.150 122.979 122.820 0.016 0.000 2.351 766 A HA 0.936 5.257 4.320 0.001 0.000 0.257 766 A C 1.139 178.600 177.584 -0.205 0.000 1.087 766 A CA 1.099 53.145 52.037 0.016 0.000 0.798 766 A CB 0.489 19.543 19.000 0.090 0.000 1.033 766 A HN 2.620 nan 8.150 nan 0.000 0.488 767 A N 0.632 123.415 122.820 -0.062 0.000 2.425 767 A HA 0.468 4.789 4.320 0.001 0.000 0.242 767 A C 1.120 178.672 177.584 -0.053 0.000 1.077 767 A CA 0.390 52.347 52.037 -0.133 0.000 0.781 767 A CB -0.034 19.059 19.000 0.154 0.000 1.020 767 A HN 1.892 nan 8.150 nan 0.000 0.494 768 S N -0.063 115.570 115.700 -0.111 0.000 2.701 768 S HA 0.319 4.790 4.470 0.001 0.000 0.242 768 S C 0.128 174.629 174.600 -0.166 0.000 1.025 768 S CA -0.340 57.779 58.200 -0.134 0.000 1.016 768 S CB -0.056 63.078 63.200 -0.109 0.000 0.977 768 S HN 0.652 nan 8.310 nan 0.000 0.546 769 K N 1.482 121.794 120.400 -0.147 0.000 2.477 769 K HA 0.619 4.940 4.320 0.001 0.000 0.255 769 K C -0.886 175.484 176.600 -0.384 0.000 0.952 769 K CA -0.554 55.542 56.287 -0.318 0.000 0.826 769 K CB 2.214 34.450 32.500 -0.442 0.000 1.331 769 K HN 0.275 nan 8.250 nan 0.000 0.437 770 S N 0.148 115.572 115.700 -0.460 0.000 2.681 770 S HA 0.458 4.929 4.470 0.001 0.000 0.299 770 S C -0.297 173.955 174.600 -0.579 0.000 1.113 770 S CA -0.484 57.532 58.200 -0.307 0.000 1.013 770 S CB 0.543 63.678 63.200 -0.109 0.000 1.076 770 S HN 0.701 nan 8.310 nan 0.000 0.534 771 Y N -0.628 119.719 120.300 0.078 0.000 2.610 771 Y HA 0.368 4.918 4.550 0.001 0.000 0.254 771 Y C 2.121 178.080 175.900 0.098 0.000 1.110 771 Y CA -0.368 57.793 58.100 0.101 0.000 1.238 771 Y CB 0.044 38.629 38.460 0.207 0.000 1.322 771 Y HN 0.816 nan 8.280 nan 0.000 0.547 772 G N 0.876 109.772 108.800 0.159 0.000 2.418 772 G HA2 -0.197 3.763 3.960 0.001 0.000 0.217 772 G HA3 -0.197 3.763 3.960 0.001 0.000 0.217 772 G C 1.535 176.484 174.900 0.082 0.000 1.158 772 G CA 1.008 46.175 45.100 0.111 0.000 0.771 772 G HN 0.317 nan 8.290 nan 0.000 0.545 773 L N 0.518 121.772 121.223 0.052 0.000 2.056 773 L HA -0.041 4.300 4.340 0.001 0.000 0.207 773 L C 3.421 180.320 176.870 0.048 0.000 1.078 773 L CA 1.020 55.879 54.840 0.032 0.000 0.749 773 L CB -0.598 41.462 42.059 0.002 0.000 0.901 773 L HN 0.318 nan 8.230 nan 0.000 0.433 774 A N -0.004 122.859 122.820 0.073 0.000 1.908 774 A HA -0.156 4.165 4.320 0.001 0.000 0.218 774 A C 2.364 180.011 177.584 0.106 0.000 1.181 774 A CA 1.809 53.899 52.037 0.088 0.000 0.627 774 A CB -0.845 18.236 19.000 0.134 0.000 0.818 774 A HN 0.189 nan 8.150 nan 0.000 0.445 775 V N -0.127 119.877 119.914 0.151 0.000 2.343 775 V HA -0.271 3.850 4.120 0.001 0.000 0.247 775 V C 3.066 179.204 176.094 0.073 0.000 1.051 775 V CA 1.976 64.354 62.300 0.130 0.000 1.036 775 V CB -1.235 30.671 31.823 0.139 0.000 0.654 775 V HN 0.631 nan 8.190 nan 0.000 0.451 776 A N -0.182 122.673 122.820 0.058 0.000 1.940 776 A HA -0.153 4.168 4.320 0.001 0.000 0.219 776 A C 2.388 179.989 177.584 0.029 0.000 1.176 776 A CA 2.256 54.314 52.037 0.036 0.000 0.631 776 A CB -0.679 18.337 19.000 0.027 0.000 0.814 776 A HN 0.585 nan 8.150 nan 0.000 0.446 777 A N -0.289 122.549 122.820 0.031 0.000 1.872 777 A HA 0.056 4.377 4.320 0.001 0.000 0.214 777 A C 2.132 179.728 177.584 0.020 0.000 1.187 777 A CA 1.263 53.312 52.037 0.020 0.000 0.614 777 A CB -0.613 18.397 19.000 0.016 0.000 0.826 777 A HN 0.448 nan 8.150 nan 0.000 0.442 778 L N -0.572 120.668 121.223 0.030 0.000 2.043 778 L HA -0.249 4.091 4.340 0.001 0.000 0.212 778 L C 2.892 179.776 176.870 0.024 0.000 1.075 778 L CA 1.256 56.112 54.840 0.027 0.000 0.752 778 L CB -0.527 41.560 42.059 0.046 0.000 0.891 778 L HN 0.454 nan 8.230 nan 0.000 0.432 779 A N -0.795 122.041 122.820 0.027 0.000 2.209 779 A HA 0.196 4.517 4.320 0.001 0.000 0.212 779 A C 1.806 179.399 177.584 0.014 0.000 1.158 779 A CA 1.021 53.071 52.037 0.020 0.000 0.742 779 A CB -0.385 18.628 19.000 0.021 0.000 0.790 779 A HN 0.595 nan 8.150 nan 0.000 0.472 780 G N -1.989 106.819 108.800 0.013 0.000 2.179 780 G HA2 -0.189 3.772 3.960 0.001 0.000 0.220 780 G HA3 -0.189 3.772 3.960 0.001 0.000 0.220 780 G C 0.214 175.118 174.900 0.008 0.000 0.990 780 G CA -0.067 45.038 45.100 0.009 0.000 0.646 780 G HN 0.781 nan 8.290 nan 0.000 0.517 781 V N 2.592 122.512 119.914 0.009 0.000 2.584 781 V HA 0.219 4.339 4.120 0.001 0.000 0.303 781 V C -1.017 175.081 176.094 0.005 0.000 1.035 781 V CA -0.146 62.158 62.300 0.007 0.000 1.172 781 V CB 0.516 32.345 31.823 0.009 0.000 0.896 781 V HN 0.238 nan 8.190 nan 0.000 0.486 782 P HA 0.046 nan 4.420 nan 0.000 0.266 782 P C 0.728 178.029 177.300 0.001 0.000 1.195 782 P CA -0.121 62.980 63.100 0.002 0.000 0.768 782 P CB 0.534 32.235 31.700 0.001 0.000 0.838 783 K N 2.834 123.234 120.400 0.000 0.000 2.074 783 K HA -0.244 4.077 4.320 0.001 0.000 0.209 783 K C 1.520 178.119 176.600 -0.002 0.000 1.048 783 K CA 1.612 57.898 56.287 -0.001 0.000 0.926 783 K CB -0.080 32.419 32.500 -0.002 0.000 0.713 783 K HN 0.320 nan 8.250 nan 0.000 0.444 784 E N 0.235 120.434 120.200 -0.002 0.000 2.110 784 E HA -0.137 4.214 4.350 0.001 0.000 0.193 784 E C 2.114 178.712 176.600 -0.002 0.000 0.988 784 E CA 1.067 57.466 56.400 -0.003 0.000 0.804 784 E CB -0.277 29.422 29.700 -0.002 0.000 0.745 784 E HN 0.181 nan 8.360 nan 0.000 0.458 785 V N 1.531 121.445 119.914 -0.001 0.000 2.343 785 V HA -0.223 3.898 4.120 0.001 0.000 0.247 785 V C 2.383 178.476 176.094 -0.001 0.000 1.051 785 V CA 1.352 63.652 62.300 -0.001 0.000 1.036 785 V CB -0.397 31.426 31.823 0.001 0.000 0.654 785 V HN 0.207 nan 8.190 nan 0.000 0.451 786 I N -0.240 120.330 120.570 -0.000 0.000 2.315 786 I HA -0.237 3.934 4.170 0.001 0.000 0.248 786 I C 2.570 178.684 176.117 -0.005 0.000 1.117 786 I CA 1.573 62.872 61.300 -0.001 0.000 1.404 786 I CB -0.452 37.548 38.000 0.001 0.000 1.071 786 I HN 0.294 nan 8.210 nan 0.000 0.419 787 K N 1.128 121.524 120.400 -0.005 0.000 2.032 787 K HA -0.213 4.108 4.320 0.001 0.000 0.209 787 K C 2.366 178.961 176.600 -0.008 0.000 1.048 787 K CA 1.395 57.678 56.287 -0.008 0.000 0.927 787 K CB 0.011 32.507 32.500 -0.007 0.000 0.712 787 K HN 0.135 nan 8.250 nan 0.000 0.441 788 R N 0.135 120.631 120.500 -0.006 0.000 2.096 788 R HA -0.096 4.244 4.340 0.001 0.000 0.235 788 R C 2.321 178.617 176.300 -0.007 0.000 1.127 788 R CA 1.324 57.421 56.100 -0.006 0.000 0.968 788 R CB -0.836 29.461 30.300 -0.005 0.000 0.861 788 R HN 0.350 nan 8.270 nan 0.000 0.440 789 A N 1.215 124.032 122.820 -0.006 0.000 1.933 789 A HA -0.193 4.128 4.320 0.001 0.000 0.218 789 A C 2.278 179.856 177.584 -0.010 0.000 1.175 789 A CA 1.588 53.622 52.037 -0.005 0.000 0.628 789 A CB -0.377 18.621 19.000 -0.002 0.000 0.814 789 A HN 0.128 nan 8.150 nan 0.000 0.444 790 R N -0.028 120.465 120.500 -0.013 0.000 2.083 790 R HA -0.184 4.157 4.340 0.001 0.000 0.237 790 R C 2.323 178.611 176.300 -0.020 0.000 1.137 790 R CA 2.295 58.383 56.100 -0.020 0.000 0.951 790 R CB -0.709 29.578 30.300 -0.021 0.000 0.851 790 R HN 0.706 nan 8.270 nan 0.000 0.434 791 Q N -0.296 119.495 119.800 -0.015 0.000 2.046 791 Q HA -0.202 4.139 4.340 0.001 0.000 0.200 791 Q C 1.758 177.751 176.000 -0.012 0.000 0.975 791 Q CA 1.926 57.721 55.803 -0.014 0.000 0.836 791 Q CB -0.099 28.632 28.738 -0.011 0.000 0.896 791 Q HN 0.091 nan 8.270 nan 0.000 0.428 792 K N 0.325 120.720 120.400 -0.010 0.000 2.063 792 K HA -0.179 4.142 4.320 0.001 0.000 0.208 792 K C 1.888 178.484 176.600 -0.007 0.000 1.048 792 K CA 1.141 57.424 56.287 -0.007 0.000 0.928 792 K CB -0.556 31.941 32.500 -0.006 0.000 0.713 792 K HN 0.260 nan 8.250 nan 0.000 0.442 793 L N 1.046 122.263 121.223 -0.011 0.000 1.994 793 L HA -0.109 4.232 4.340 0.001 0.000 0.208 793 L C 2.342 179.200 176.870 -0.019 0.000 1.071 793 L CA 1.886 56.718 54.840 -0.014 0.000 0.745 793 L CB -0.659 41.387 42.059 -0.023 0.000 0.892 793 L HN 0.215 nan 8.230 nan 0.000 0.431 794 R N -0.486 119.999 120.500 -0.025 0.000 2.091 794 R HA -0.242 4.098 4.340 0.001 0.000 0.238 794 R C 2.350 178.641 176.300 -0.015 0.000 1.136 794 R CA 1.893 57.977 56.100 -0.027 0.000 0.959 794 R CB -0.347 29.936 30.300 -0.028 0.000 0.856 794 R HN 0.655 nan 8.270 nan 0.000 0.437 795 E N 0.321 120.516 120.200 -0.009 0.000 2.077 795 E HA -0.205 4.146 4.350 0.001 0.000 0.193 795 E C 2.042 178.646 176.600 0.008 0.000 0.989 795 E CA 1.303 57.702 56.400 -0.001 0.000 0.800 795 E CB -0.058 29.641 29.700 -0.001 0.000 0.746 795 E HN 0.398 nan 8.360 nan 0.000 0.452 796 L N 0.431 121.659 121.223 0.009 0.000 2.056 796 L HA -0.141 4.200 4.340 0.001 0.000 0.207 796 L C 2.456 179.347 176.870 0.036 0.000 1.078 796 L CA 1.355 56.208 54.840 0.022 0.000 0.749 796 L CB -0.304 41.768 42.059 0.020 0.000 0.901 796 L HN 0.145 nan 8.230 nan 0.000 0.433 797 E N -0.165 120.046 120.200 0.019 0.000 2.152 797 E HA -0.157 4.194 4.350 0.001 0.000 0.192 797 E C 2.230 178.843 176.600 0.021 0.000 0.983 797 E CA 1.345 57.756 56.400 0.018 0.000 0.818 797 E CB -0.006 29.675 29.700 -0.032 0.000 0.758 797 E HN 0.493 nan 8.360 nan 0.000 0.467 798 S N 0.600 116.306 115.700 0.010 0.000 2.515 798 S HA -0.035 4.436 4.470 0.001 0.000 0.231 798 S C 1.912 176.528 174.600 0.027 0.000 0.987 798 S CA 0.301 58.508 58.200 0.010 0.000 0.936 798 S CB -0.381 62.819 63.200 -0.000 0.000 0.766 798 S HN 0.180 nan 8.310 nan 0.000 0.528 799 I N 1.282 121.875 120.570 0.038 0.000 2.454 799 I HA -0.041 4.129 4.170 0.001 0.000 0.254 799 I C 1.660 177.810 176.117 0.055 0.000 1.156 799 I CA 0.672 61.999 61.300 0.046 0.000 1.433 799 I CB -0.257 37.778 38.000 0.059 0.000 1.082 799 I HN 0.373 nan 8.210 nan 0.000 0.432 800 S N 0.000 115.744 115.700 0.073 0.000 2.498 800 S HA 0.000 4.471 4.470 0.001 0.000 0.327 800 S CA 0.000 58.254 58.200 0.090 0.000 1.107 800 S CB 0.000 63.273 63.200 0.121 0.000 0.593 800 S HN 0.000 nan 8.310 nan 0.000 0.517