REMARK SPARTA+ Protein Chemical Shift Prediction Table REMARK REMARK All chemical shifts are reported in ppm: REMARK REMARK SS_SHIFT is the predicted secondary chemical shift. REMARK SHIFT is the predicted chemical shift. REMARK RC_SHIFT is the random coil chemical shift. REMARK HM_SHIFT is the ring current shift; a correction REMARK of 0.6 times this value is applied. REMARK EF_SHIFT is the adjustment for electric field effect, REMARK applied to proton shifts only. REMARK SIGMA is the estimated prediction error. REMARK REMARK Reference: REMARK Y. Shen and A. Bax: SPARTA+: a modest improvement in empirical NMR REMARK chemical shift prediction by means of an artificial neural network. REMARK J. Biomol. NMR 48, 13-22 (2010). DATA SOURCE 3h0l_1_N DATA FIRST_RESID 3 DATA SEQUENCE EKYEAVIGLE IHVQMDTKTK MFCGCKVEFG AEPNTNVCPV CLGMPGALPI DATA SEQUENCE VNKRAVEYAI RASLALNCEV HEESVFARKH YFYPDLPKGY QISQYEKPLA DATA SEQUENCE TNGWVELNLP NGEKKKVRIR RLHIEEDAGK NIHEGDKTLV DLNRAGTPLM DATA SEQUENCE EIVTEPDIRT PEEARLFLEK LRNIMRYAGV SKADMEKGQL RCDINVSIRP DATA SEQUENCE KGSKEFGTRV EIKNVNSFRF VQKALEYEIE RQINVVEEGG EVVQETRTFD DATA SEQUENCE PQTGKTYPMR TKEEAEDYRY FPDPDLVPLK VKKEWIEEIK KNMPELPDQR DATA SEQUENCE FERLIKEYGL SEYEAGILVN HKEVGDFFEE AVRHFKEPKG IVNWLINDLL DATA SEQUENCE GLLRDKGISI EESPVKPEHL AELVKLIKEK VISTKIGKEV IKEMVETGKT DATA SEQUENCE PSQIVEEKGL VARS RESID RESNAME ATOMNAME SS_SHIFT SHIFT RC_SHIFT HM_SHIFT EF_SHIFT SIGMA FORMAT %4d %4s %4s %9.3f %9.3f %9.3f %9.3f %9.3f %9.3f 3 E HA 0.000 nan 4.350 nan 0.000 0.291 3 E C 0.000 176.587 176.600 -0.022 0.000 1.382 3 E CA 0.000 56.409 56.400 0.015 0.000 0.976 3 E CB 0.000 29.728 29.700 0.046 0.000 0.812 4 K N 1.425 121.791 120.400 -0.057 0.000 2.148 4 K HA 0.005 4.325 4.320 -0.000 0.000 0.204 4 K C 0.233 176.630 176.600 -0.338 0.000 1.050 4 K CA 1.015 57.154 56.287 -0.247 0.000 0.942 4 K CB 0.000 32.244 32.500 -0.427 0.000 0.724 4 K HN 0.378 nan 8.250 nan 0.000 0.446 5 Y N 0.419 120.701 120.300 -0.030 0.000 2.565 5 Y HA 0.300 4.850 4.550 -0.000 0.000 0.325 5 Y C 0.028 175.906 175.900 -0.036 0.000 1.221 5 Y CA -0.877 57.202 58.100 -0.034 0.000 1.316 5 Y CB 1.083 39.523 38.460 -0.033 0.000 1.404 5 Y HN -0.136 nan 8.280 nan 0.000 0.527 6 E N 0.221 120.519 120.200 0.163 0.000 2.304 6 E HA 0.651 5.001 4.350 -0.000 0.000 0.277 6 E C -1.763 174.868 176.600 0.052 0.000 0.898 6 E CA -0.876 55.561 56.400 0.062 0.000 0.764 6 E CB 1.548 31.254 29.700 0.010 0.000 1.216 6 E HN 0.717 nan 8.360 nan 0.000 0.419 7 A N 3.017 125.854 122.820 0.027 0.000 2.309 7 A HA 0.552 4.872 4.320 -0.000 0.000 0.298 7 A C -0.677 176.918 177.584 0.017 0.000 1.165 7 A CA -0.490 51.556 52.037 0.016 0.000 0.821 7 A CB 0.979 19.981 19.000 0.004 0.000 1.102 7 A HN 0.315 nan 8.150 nan 0.000 0.500 8 V N 4.050 123.984 119.914 0.033 0.000 2.357 8 V HA 0.434 4.554 4.120 -0.000 0.000 0.284 8 V C -0.390 175.734 176.094 0.050 0.000 1.018 8 V CA -0.039 62.299 62.300 0.062 0.000 0.841 8 V CB 0.802 32.707 31.823 0.136 0.000 0.991 8 V HN 0.716 nan 8.190 nan 0.000 0.437 9 I N 3.807 124.389 120.570 0.020 0.000 2.466 9 I HA 0.765 4.935 4.170 -0.000 0.000 0.289 9 I C 0.493 176.581 176.117 -0.048 0.000 1.026 9 I CA -0.308 60.984 61.300 -0.013 0.000 1.078 9 I CB 2.237 40.220 38.000 -0.029 0.000 1.249 9 I HN 0.707 nan 8.210 nan 0.000 0.429 10 G N 6.396 115.165 108.800 -0.052 0.000 2.524 10 G HA2 0.827 4.787 3.960 -0.000 0.000 0.310 10 G HA3 0.827 4.787 3.960 -0.000 0.000 0.310 10 G C -1.234 173.612 174.900 -0.089 0.000 1.279 10 G CA -0.536 44.509 45.100 -0.092 0.000 0.974 10 G HN 0.405 nan 8.290 nan 0.000 0.484 11 L N 0.426 121.569 121.223 -0.134 0.000 2.354 11 L HA 0.574 4.914 4.340 -0.000 0.000 0.269 11 L C -0.443 176.397 176.870 -0.049 0.000 1.005 11 L CA -0.860 53.933 54.840 -0.080 0.000 0.819 11 L CB 2.749 44.752 42.059 -0.094 0.000 1.311 11 L HN 0.475 nan 8.230 nan 0.000 0.423 12 E N 2.819 123.020 120.200 0.001 0.000 2.186 12 E HA 0.483 4.833 4.350 -0.000 0.000 0.255 12 E C -1.323 175.288 176.600 0.017 0.000 0.881 12 E CA -0.402 55.994 56.400 -0.008 0.000 0.752 12 E CB 1.952 31.668 29.700 0.027 0.000 1.176 12 E HN 0.304 nan 8.360 nan 0.000 0.421 13 I N 2.490 123.041 120.570 -0.032 0.000 2.354 13 I HA 0.226 4.396 4.170 -0.000 0.000 0.292 13 I C -0.438 175.615 176.117 -0.106 0.000 0.989 13 I CA -0.479 60.838 61.300 0.027 0.000 1.188 13 I CB 0.934 38.992 38.000 0.097 0.000 1.342 13 I HN 0.446 nan 8.210 nan 0.000 0.457 14 H N 4.516 123.619 119.070 0.055 0.000 2.504 14 H HA 0.590 5.146 4.556 -0.000 0.000 0.322 14 H C -0.876 174.482 175.328 0.050 0.000 1.055 14 H CA -0.477 55.597 56.048 0.043 0.000 1.231 14 H CB 1.442 31.236 29.762 0.053 0.000 1.417 14 H HN 0.249 nan 8.280 nan 0.000 0.472 15 V N 4.266 124.252 119.914 0.121 0.000 2.357 15 V HA 0.149 4.269 4.120 -0.000 0.000 0.284 15 V C 0.031 176.181 176.094 0.094 0.000 1.018 15 V CA -0.791 61.563 62.300 0.091 0.000 0.841 15 V CB 1.458 33.311 31.823 0.050 0.000 0.991 15 V HN 0.762 nan 8.190 nan 0.000 0.437 16 Q N 4.546 124.400 119.800 0.089 0.000 2.297 16 Q HA 0.389 4.729 4.340 -0.000 0.000 0.267 16 Q C -0.465 175.584 176.000 0.082 0.000 1.006 16 Q CA -0.113 55.740 55.803 0.083 0.000 0.896 16 Q CB 0.840 29.623 28.738 0.075 0.000 1.186 16 Q HN 0.647 nan 8.270 nan 0.000 0.392 17 M N 2.473 122.128 119.600 0.090 0.000 2.211 17 M HA 0.064 4.544 4.480 -0.000 0.000 0.356 17 M C 0.031 176.413 176.300 0.136 0.000 1.216 17 M CA -0.306 55.076 55.300 0.137 0.000 1.134 17 M CB 0.610 33.296 32.600 0.144 0.000 1.564 17 M HN 0.450 nan 8.290 nan 0.000 0.463 18 D N 3.205 123.727 120.400 0.203 0.000 2.885 18 D HA 0.030 4.670 4.640 -0.000 0.000 0.234 18 D C -0.063 176.343 176.300 0.177 0.000 1.129 18 D CA 0.050 54.159 54.000 0.181 0.000 0.991 18 D CB 0.013 40.920 40.800 0.178 0.000 1.137 18 D HN 0.601 nan 8.370 nan 0.000 0.459 19 T N -2.477 112.104 114.554 0.045 0.000 2.902 19 T HA 0.277 4.627 4.350 -0.000 0.000 0.280 19 T C 1.336 176.023 174.700 -0.022 0.000 0.992 19 T CA -0.745 61.313 62.100 -0.070 0.000 1.015 19 T CB 1.824 70.603 68.868 -0.149 0.000 1.044 19 T HN 0.006 nan 8.240 nan 0.000 0.520 20 K N -0.073 120.304 120.400 -0.037 0.000 2.155 20 K HA 0.074 4.394 4.320 -0.000 0.000 0.203 20 K C 0.759 177.347 176.600 -0.019 0.000 1.052 20 K CA 0.764 57.043 56.287 -0.014 0.000 0.948 20 K CB 0.053 32.545 32.500 -0.014 0.000 0.728 20 K HN 0.530 nan 8.250 nan 0.000 0.448 21 T N 0.506 115.036 114.554 -0.041 0.000 2.924 21 T HA 0.277 4.627 4.350 -0.000 0.000 0.291 21 T C -0.529 174.136 174.700 -0.060 0.000 1.045 21 T CA -0.772 61.303 62.100 -0.042 0.000 1.015 21 T CB 1.955 70.796 68.868 -0.045 0.000 1.103 21 T HN -0.073 nan 8.240 nan 0.000 0.496 22 K N 1.039 121.406 120.400 -0.056 0.000 2.136 22 K HA 0.203 4.523 4.320 -0.000 0.000 0.237 22 K C 1.275 177.777 176.600 -0.163 0.000 1.048 22 K CA -0.434 55.804 56.287 -0.082 0.000 0.880 22 K CB 0.190 32.662 32.500 -0.047 0.000 1.105 22 K HN 0.427 nan 8.250 nan 0.000 0.507 23 M N 0.100 119.528 119.600 -0.286 0.000 2.254 23 M HA -0.007 4.473 4.480 -0.000 0.000 0.265 23 M C 0.255 176.097 176.300 -0.764 0.000 1.066 23 M CA 1.861 56.785 55.300 -0.626 0.000 1.123 23 M CB 0.294 32.323 32.600 -0.952 0.000 1.388 23 M HN 0.550 nan 8.290 nan 0.000 0.425 24 F N -1.279 118.627 119.950 -0.072 0.000 2.856 24 F HA 0.303 4.830 4.527 0.000 0.000 0.338 24 F C 0.443 176.205 175.800 -0.063 0.000 1.100 24 F CA -0.963 56.982 58.000 -0.092 0.000 1.150 24 F CB -0.247 38.684 39.000 -0.114 0.000 1.101 24 F HN 0.278 nan 8.300 nan 0.000 0.548 25 C N -2.443 116.898 119.300 0.069 0.000 3.323 25 C HA 0.841 5.301 4.460 -0.000 0.000 0.324 25 C C 1.305 176.296 174.990 0.000 0.000 1.428 25 C CA -0.319 58.721 59.018 0.035 0.000 1.368 25 C CB 1.243 29.003 27.740 0.034 0.000 1.731 25 C HN 0.303 nan 8.230 nan 0.000 0.455 26 G N -0.455 108.345 108.800 -0.001 0.000 3.233 26 G HA2 0.318 4.278 3.960 -0.000 0.000 0.227 26 G HA3 0.318 4.278 3.960 -0.000 0.000 0.227 26 G C 0.375 175.269 174.900 -0.010 0.000 1.175 26 G CA 0.112 45.206 45.100 -0.010 0.000 0.781 26 G HN 0.978 nan 8.290 nan 0.000 0.542 27 C N 1.134 120.429 119.300 -0.008 0.000 2.676 27 C HA 0.260 4.720 4.460 -0.000 0.000 0.416 27 C C 0.962 175.946 174.990 -0.010 0.000 1.299 27 C CA -0.739 58.274 59.018 -0.008 0.000 2.048 27 C CB 0.529 28.265 27.740 -0.007 0.000 2.713 27 C HN 0.371 nan 8.230 nan 0.000 0.624 28 K N 1.429 121.825 120.400 -0.007 0.000 2.401 28 K HA 0.269 4.589 4.320 -0.000 0.000 0.278 28 K C -0.611 175.990 176.600 0.002 0.000 1.018 28 K CA -0.154 56.132 56.287 -0.002 0.000 0.981 28 K CB 0.524 33.026 32.500 0.002 0.000 0.933 28 K HN 0.421 nan 8.250 nan 0.000 0.477 29 V N 4.346 124.264 119.914 0.007 0.000 2.385 29 V HA 0.110 4.230 4.120 -0.000 0.000 0.269 29 V C -0.080 176.039 176.094 0.041 0.000 1.043 29 V CA -0.063 62.249 62.300 0.022 0.000 0.906 29 V CB 0.277 32.112 31.823 0.020 0.000 0.995 29 V HN 0.874 nan 8.190 nan 0.000 0.467 30 E N 4.661 124.893 120.200 0.053 0.000 2.375 30 E HA 0.476 4.826 4.350 -0.000 0.000 0.280 30 E C -1.368 175.299 176.600 0.111 0.000 0.972 30 E CA -0.907 55.542 56.400 0.083 0.000 0.782 30 E CB 1.744 31.476 29.700 0.054 0.000 1.229 30 E HN 0.305 nan 8.360 nan 0.000 0.439 31 F N 1.767 121.720 119.950 0.005 0.000 2.384 31 F HA 0.492 5.019 4.527 -0.000 0.000 0.338 31 F C 1.296 177.098 175.800 0.003 0.000 1.103 31 F CA 1.079 59.082 58.000 0.005 0.000 1.157 31 F CB 1.347 40.351 39.000 0.006 0.000 1.167 31 F HN 0.830 nan 8.300 nan 0.000 0.529 32 G N 4.022 112.309 108.800 -0.855 0.000 2.249 32 G HA2 -0.094 3.866 3.960 -0.000 0.000 0.273 32 G HA3 -0.094 3.866 3.960 -0.000 0.000 0.273 32 G C 0.092 174.852 174.900 -0.234 0.000 1.036 32 G CA 0.101 44.848 45.100 -0.589 0.000 0.824 32 G HN 1.169 nan 8.290 nan 0.000 0.504 33 A N -0.707 122.010 122.820 -0.171 0.000 2.280 33 A HA 0.664 4.984 4.320 -0.000 0.000 0.268 33 A C 0.610 178.136 177.584 -0.098 0.000 1.111 33 A CA -0.032 51.948 52.037 -0.095 0.000 0.814 33 A CB 0.383 19.347 19.000 -0.061 0.000 1.093 33 A HN 0.570 nan 8.150 nan 0.000 0.498 34 E N 1.338 121.499 120.200 -0.066 0.000 2.384 34 E HA 0.192 4.542 4.350 -0.000 0.000 0.266 34 E C -2.213 174.352 176.600 -0.058 0.000 1.012 34 E CA -1.387 54.978 56.400 -0.058 0.000 0.901 34 E CB 0.155 29.831 29.700 -0.041 0.000 0.967 34 E HN 0.373 nan 8.360 nan 0.000 0.435 35 P HA -0.155 nan 4.420 nan 0.000 0.262 35 P C -0.656 176.617 177.300 -0.044 0.000 1.182 35 P CA 0.313 63.379 63.100 -0.057 0.000 0.761 35 P CB 0.321 31.989 31.700 -0.054 0.000 0.795 36 N N 0.418 119.093 118.700 -0.042 0.000 2.740 36 N HA -0.148 4.591 4.740 -0.000 0.000 0.248 36 N C 0.882 176.375 175.510 -0.029 0.000 1.062 36 N CA 1.520 54.550 53.050 -0.034 0.000 0.704 36 N CB -1.753 36.715 38.487 -0.032 0.000 0.968 36 N HN 0.644 nan 8.380 nan 0.000 0.547 37 T N -4.839 109.697 114.554 -0.030 0.000 3.018 37 T HA 0.067 4.417 4.350 -0.000 0.000 0.246 37 T C 0.746 175.434 174.700 -0.020 0.000 1.026 37 T CA 0.113 62.198 62.100 -0.025 0.000 1.081 37 T CB 0.286 69.139 68.868 -0.025 0.000 0.970 37 T HN 0.033 nan 8.240 nan 0.000 0.475 38 N N 1.981 120.669 118.700 -0.021 0.000 3.245 38 N HA 0.487 5.227 4.740 -0.000 0.000 0.296 38 N C -1.252 174.249 175.510 -0.014 0.000 1.254 38 N CA 0.086 53.127 53.050 -0.016 0.000 1.190 38 N CB 0.880 39.358 38.487 -0.014 0.000 1.460 38 N HN 0.269 nan 8.380 nan 0.000 0.538 39 V N 0.114 120.019 119.914 -0.014 0.000 3.087 39 V HA 0.628 4.748 4.120 -0.000 0.000 0.306 39 V C -0.614 175.473 176.094 -0.012 0.000 1.187 39 V CA -0.697 61.594 62.300 -0.015 0.000 0.999 39 V CB 2.498 34.309 31.823 -0.019 0.000 1.049 39 V HN 0.655 nan 8.190 nan 0.000 0.431 40 C N 2.746 122.039 119.300 -0.012 0.000 3.295 40 C HA 0.579 5.039 4.460 -0.000 0.000 0.341 40 C C -2.352 172.631 174.990 -0.012 0.000 1.418 40 C CA -0.986 58.027 59.018 -0.009 0.000 1.240 40 C CB 0.985 28.722 27.740 -0.005 0.000 1.562 40 C HN 0.593 nan 8.230 nan 0.000 0.457 41 P HA -0.077 nan 4.420 nan 0.000 0.218 41 P C 1.640 178.929 177.300 -0.018 0.000 1.148 41 P CA 1.572 64.663 63.100 -0.014 0.000 0.822 41 P CB 0.107 31.801 31.700 -0.010 0.000 0.784 42 V N 0.535 120.443 119.914 -0.010 0.000 2.229 42 V HA -0.260 3.860 4.120 -0.000 0.000 0.243 42 V C 2.613 178.699 176.094 -0.015 0.000 1.042 42 V CA 2.316 64.611 62.300 -0.008 0.000 1.000 42 V CB -1.785 30.047 31.823 0.014 0.000 0.637 42 V HN 0.278 nan 8.190 nan 0.000 0.446 43 C N -0.474 118.825 119.300 -0.001 0.000 2.449 43 C HA 0.100 4.560 4.460 -0.000 0.000 0.283 43 C C 2.181 177.153 174.990 -0.030 0.000 1.453 43 C CA 0.063 59.079 59.018 -0.003 0.000 1.779 43 C CB -1.844 25.901 27.740 0.008 0.000 1.779 43 C HN 0.532 nan 8.230 nan 0.000 0.546 44 L N 1.162 122.364 121.223 -0.036 0.000 2.607 44 L HA 0.299 4.639 4.340 -0.000 0.000 0.228 44 L C 1.883 178.715 176.870 -0.064 0.000 1.123 44 L CA 0.760 55.573 54.840 -0.045 0.000 0.890 44 L CB -0.542 41.497 42.059 -0.033 0.000 1.103 44 L HN 0.524 nan 8.230 nan 0.000 0.468 45 G N 1.083 109.835 108.800 -0.080 0.000 2.295 45 G HA2 -0.313 3.647 3.960 -0.000 0.000 0.287 45 G HA3 -0.313 3.647 3.960 -0.000 0.000 0.287 45 G C 0.167 175.025 174.900 -0.070 0.000 1.055 45 G CA 0.086 45.121 45.100 -0.109 0.000 0.922 45 G HN 0.236 nan 8.290 nan 0.000 0.503 46 M N 0.173 119.746 119.600 -0.046 0.000 2.247 46 M HA 0.343 4.823 4.480 -0.000 0.000 0.326 46 M C -1.679 174.610 176.300 -0.019 0.000 1.134 46 M CA -1.689 53.594 55.300 -0.028 0.000 1.136 46 M CB 0.605 33.192 32.600 -0.021 0.000 1.454 46 M HN -0.004 nan 8.290 nan 0.000 0.467 47 P HA 0.172 nan 4.420 nan 0.000 0.271 47 P C 0.429 177.731 177.300 0.002 0.000 1.216 47 P CA 0.383 63.484 63.100 0.001 0.000 0.771 47 P CB 0.573 32.276 31.700 0.006 0.000 0.864 48 G N 1.409 110.214 108.800 0.008 0.000 2.195 48 G HA2 -0.153 3.807 3.960 -0.000 0.000 0.246 48 G HA3 -0.153 3.807 3.960 -0.000 0.000 0.246 48 G C 0.352 175.253 174.900 0.003 0.000 0.984 48 G CA 0.002 45.106 45.100 0.007 0.000 0.633 48 G HN 0.876 nan 8.290 nan 0.000 0.525 49 A N 0.329 123.148 122.820 -0.003 0.000 2.328 49 A HA 0.801 5.121 4.320 -0.000 0.000 0.284 49 A C 0.096 177.674 177.584 -0.011 0.000 1.160 49 A CA -0.088 51.945 52.037 -0.008 0.000 0.818 49 A CB 0.548 19.540 19.000 -0.014 0.000 1.087 49 A HN 0.840 nan 8.150 nan 0.000 0.504 50 L N 3.883 125.099 121.223 -0.012 0.000 2.362 50 L HA 0.518 4.858 4.340 -0.000 0.000 0.271 50 L C -2.163 174.688 176.870 -0.031 0.000 1.002 50 L CA -2.088 52.738 54.840 -0.024 0.000 0.818 50 L CB 2.425 44.474 42.059 -0.017 0.000 1.298 50 L HN 0.524 nan 8.230 nan 0.000 0.420 51 P HA 0.360 nan 4.420 nan 0.000 0.280 51 P C -1.091 176.204 177.300 -0.010 0.000 1.244 51 P CA -0.211 62.839 63.100 -0.084 0.000 0.784 51 P CB 1.481 32.941 31.700 -0.400 0.000 0.913 52 I N 3.009 123.637 120.570 0.097 0.000 2.439 52 I HA 0.135 4.305 4.170 -0.000 0.000 0.285 52 I C 0.055 176.259 176.117 0.144 0.000 1.021 52 I CA -0.906 60.447 61.300 0.087 0.000 1.091 52 I CB 1.920 39.947 38.000 0.046 0.000 1.242 52 I HN 0.059 nan 8.210 nan 0.000 0.439 53 V N 5.583 125.577 119.914 0.132 0.000 2.599 53 V HA -0.007 4.113 4.120 -0.000 0.000 0.300 53 V C 0.756 176.867 176.094 0.028 0.000 1.034 53 V CA -0.118 62.239 62.300 0.094 0.000 1.115 53 V CB 0.291 32.194 31.823 0.134 0.000 0.934 53 V HN 0.733 nan 8.190 nan 0.000 0.485 54 N N 4.157 122.824 118.700 -0.055 0.000 2.405 54 N HA 0.041 4.781 4.740 -0.000 0.000 0.260 54 N C 0.923 176.438 175.510 0.009 0.000 1.152 54 N CA 0.054 53.071 53.050 -0.055 0.000 0.948 54 N CB 0.884 39.289 38.487 -0.137 0.000 1.111 54 N HN 0.750 nan 8.380 nan 0.000 0.485 55 K N 4.054 124.474 120.400 0.035 0.000 2.057 55 K HA -0.125 4.195 4.320 -0.000 0.000 0.207 55 K C 1.854 178.535 176.600 0.134 0.000 1.049 55 K CA 1.152 57.506 56.287 0.112 0.000 0.931 55 K CB 0.031 32.569 32.500 0.063 0.000 0.714 55 K HN 0.525 nan 8.250 nan 0.000 0.440 56 R N -0.082 120.413 120.500 -0.008 0.000 2.115 56 R HA -0.054 4.286 4.340 -0.000 0.000 0.230 56 R C 2.093 178.236 176.300 -0.261 0.000 1.111 56 R CA 1.186 57.192 56.100 -0.157 0.000 0.976 56 R CB -0.298 29.813 30.300 -0.314 0.000 0.870 56 R HN 0.307 nan 8.270 nan 0.000 0.445 57 A N 0.388 123.108 122.820 -0.168 0.000 1.883 57 A HA -0.136 4.184 4.320 -0.000 0.000 0.217 57 A C 2.225 179.831 177.584 0.035 0.000 1.186 57 A CA 1.764 53.750 52.037 -0.085 0.000 0.624 57 A CB -0.655 18.292 19.000 -0.089 0.000 0.822 57 A HN 0.221 nan 8.150 nan 0.000 0.444 58 V N 0.240 120.211 119.914 0.095 0.000 2.295 58 V HA -0.298 3.822 4.120 -0.000 0.000 0.246 58 V C 2.576 178.677 176.094 0.010 0.000 1.049 58 V CA 2.389 64.771 62.300 0.136 0.000 1.024 58 V CB -0.795 31.199 31.823 0.284 0.000 0.648 58 V HN 0.822 nan 8.190 nan 0.000 0.447 59 E N -0.579 119.658 120.200 0.062 0.000 2.058 59 E HA -0.261 4.089 4.350 -0.000 0.000 0.194 59 E C 2.287 178.924 176.600 0.062 0.000 0.997 59 E CA 1.752 58.116 56.400 -0.060 0.000 0.801 59 E CB -0.247 29.593 29.700 0.233 0.000 0.746 59 E HN 0.619 nan 8.360 nan 0.000 0.450 60 Y N 0.308 120.573 120.300 -0.058 0.000 2.181 60 Y HA -0.099 4.451 4.550 -0.000 0.000 0.288 60 Y C 2.422 178.278 175.900 -0.074 0.000 1.146 60 Y CA 0.950 59.018 58.100 -0.053 0.000 1.164 60 Y CB -1.026 37.424 38.460 -0.017 0.000 0.982 60 Y HN 0.207 nan 8.280 nan 0.000 0.515 61 A N -0.312 122.567 122.820 0.099 0.000 1.968 61 A HA -0.089 4.231 4.320 -0.000 0.000 0.217 61 A C 2.307 179.859 177.584 -0.053 0.000 1.169 61 A CA 1.253 53.304 52.037 0.024 0.000 0.638 61 A CB -0.937 18.090 19.000 0.045 0.000 0.812 61 A HN 0.425 nan 8.150 nan 0.000 0.446 62 I N -0.995 119.505 120.570 -0.117 0.000 2.202 62 I HA -0.226 3.944 4.170 -0.000 0.000 0.242 62 I C 2.650 178.662 176.117 -0.175 0.000 1.091 62 I CA 1.625 62.808 61.300 -0.194 0.000 1.368 62 I CB -0.332 37.445 38.000 -0.371 0.000 1.058 62 I HN 0.356 nan 8.210 nan 0.000 0.410 63 R N 1.398 121.801 120.500 -0.161 0.000 2.083 63 R HA -0.216 4.124 4.340 -0.000 0.000 0.237 63 R C 2.363 178.582 176.300 -0.136 0.000 1.137 63 R CA 1.905 57.917 56.100 -0.147 0.000 0.951 63 R CB -0.336 29.881 30.300 -0.138 0.000 0.851 63 R HN 0.365 nan 8.270 nan 0.000 0.434 64 A N -0.101 122.650 122.820 -0.115 0.000 1.933 64 A HA -0.120 4.200 4.320 -0.000 0.000 0.218 64 A C 2.217 179.728 177.584 -0.121 0.000 1.175 64 A CA 1.841 53.812 52.037 -0.109 0.000 0.628 64 A CB -0.540 18.414 19.000 -0.076 0.000 0.814 64 A HN 0.447 nan 8.150 nan 0.000 0.444 65 S N -0.232 115.398 115.700 -0.117 0.000 2.368 65 S HA -0.098 4.372 4.470 -0.000 0.000 0.225 65 S C 1.821 176.320 174.600 -0.168 0.000 1.030 65 S CA 1.497 59.621 58.200 -0.127 0.000 0.999 65 S CB -0.410 62.722 63.200 -0.114 0.000 0.844 65 S HN 0.525 nan 8.310 nan 0.000 0.459 66 L N 0.886 122.007 121.223 -0.171 0.000 2.072 66 L HA -0.048 4.292 4.340 -0.000 0.000 0.205 66 L C 2.725 179.464 176.870 -0.218 0.000 1.079 66 L CA 1.091 55.819 54.840 -0.188 0.000 0.752 66 L CB -0.621 41.343 42.059 -0.159 0.000 0.906 66 L HN 0.306 nan 8.230 nan 0.000 0.436 67 A N -0.093 122.612 122.820 -0.191 0.000 2.019 67 A HA -0.094 4.226 4.320 -0.000 0.000 0.219 67 A C 1.988 179.415 177.584 -0.260 0.000 1.164 67 A CA 1.196 53.113 52.037 -0.199 0.000 0.644 67 A CB -0.527 18.381 19.000 -0.154 0.000 0.805 67 A HN 0.422 nan 8.150 nan 0.000 0.449 68 L N -0.691 120.375 121.223 -0.262 0.000 2.629 68 L HA 0.121 4.461 4.340 -0.000 0.000 0.230 68 L C 0.042 176.623 176.870 -0.481 0.000 1.151 68 L CA -0.205 54.451 54.840 -0.306 0.000 0.924 68 L CB -0.341 41.607 42.059 -0.184 0.000 1.137 68 L HN 0.361 nan 8.230 nan 0.000 0.457 69 N N -1.285 117.083 118.700 -0.554 0.000 2.776 69 N HA -0.165 4.575 4.740 -0.000 0.000 0.250 69 N C -0.113 175.101 175.510 -0.494 0.000 1.112 69 N CA 0.595 53.163 53.050 -0.804 0.000 0.733 69 N CB -1.891 35.390 38.487 -2.009 0.000 1.097 69 N HN 0.312 nan 8.380 nan 0.000 0.558 70 C N 0.882 120.015 119.300 -0.280 0.000 2.520 70 C HA 0.306 4.766 4.460 -0.000 0.000 0.376 70 C C 1.475 176.376 174.990 -0.148 0.000 1.268 70 C CA -0.661 58.266 59.018 -0.153 0.000 2.414 70 C CB 1.099 28.767 27.740 -0.121 0.000 2.521 70 C HN 0.301 nan 8.230 nan 0.000 0.618 71 E N 1.019 121.136 120.200 -0.138 0.000 2.217 71 E HA 0.325 4.675 4.350 -0.000 0.000 0.279 71 E C -0.759 175.600 176.600 -0.402 0.000 1.068 71 E CA -0.024 56.233 56.400 -0.238 0.000 0.882 71 E CB 0.422 29.979 29.700 -0.238 0.000 1.039 71 E HN 0.433 nan 8.360 nan 0.000 0.418 72 V N 6.475 126.202 119.914 -0.312 0.000 2.455 72 V HA 0.118 4.238 4.120 -0.000 0.000 0.273 72 V C 0.198 176.102 176.094 -0.317 0.000 1.045 72 V CA -0.509 61.632 62.300 -0.265 0.000 0.976 72 V CB 0.548 32.276 31.823 -0.159 0.000 0.993 72 V HN 0.656 nan 8.190 nan 0.000 0.475 73 H N 3.904 122.956 119.070 -0.029 0.000 2.562 73 H HA 0.183 4.739 4.556 -0.000 0.000 0.314 73 H C 0.992 176.314 175.328 -0.011 0.000 1.079 73 H CA -0.249 55.787 56.048 -0.021 0.000 1.349 73 H CB 1.713 31.457 29.762 -0.029 0.000 1.432 73 H HN 0.755 nan 8.280 nan 0.000 0.479 74 E N 2.707 122.971 120.200 0.106 0.000 2.204 74 E HA -0.154 4.196 4.350 -0.000 0.000 0.195 74 E C 0.054 176.702 176.600 0.080 0.000 0.990 74 E CA 0.897 57.345 56.400 0.080 0.000 0.821 74 E CB 0.478 30.219 29.700 0.069 0.000 0.750 74 E HN 0.692 nan 8.360 nan 0.000 0.477 75 E N 0.247 120.492 120.200 0.075 0.000 2.234 75 E HA 0.287 4.637 4.350 -0.000 0.000 0.266 75 E C -1.395 175.209 176.600 0.006 0.000 0.877 75 E CA -0.549 55.875 56.400 0.040 0.000 0.758 75 E CB 1.518 31.235 29.700 0.027 0.000 1.170 75 E HN 0.085 nan 8.360 nan 0.000 0.415 76 S N 1.727 117.406 115.700 -0.034 0.000 2.618 76 S HA 0.710 5.180 4.470 -0.000 0.000 0.277 76 S C -1.192 173.308 174.600 -0.166 0.000 1.138 76 S CA -0.775 57.361 58.200 -0.108 0.000 0.844 76 S CB 1.797 64.925 63.200 -0.119 0.000 1.127 76 S HN 0.274 nan 8.310 nan 0.000 0.474 77 V N 1.678 121.466 119.914 -0.211 0.000 2.638 77 V HA 0.491 4.611 4.120 -0.000 0.000 0.306 77 V C -1.195 174.762 176.094 -0.229 0.000 1.052 77 V CA -0.677 61.524 62.300 -0.165 0.000 0.885 77 V CB 1.314 33.095 31.823 -0.070 0.000 0.999 77 V HN 0.881 nan 8.190 nan 0.000 0.424 78 F N 3.110 123.062 119.950 0.003 0.000 2.456 78 F HA 0.610 5.137 4.527 -0.000 0.000 0.358 78 F C 0.802 176.549 175.800 -0.088 0.000 1.095 78 F CA 0.210 58.203 58.000 -0.011 0.000 1.216 78 F CB 0.964 39.967 39.000 0.004 0.000 1.125 78 F HN 0.596 nan 8.300 nan 0.000 0.549 79 A N 4.706 127.586 122.820 0.099 0.000 2.380 79 A HA 0.770 5.090 4.320 -0.000 0.000 0.315 79 A C -0.509 177.028 177.584 -0.078 0.000 1.101 79 A CA -1.030 51.004 52.037 -0.006 0.000 0.771 79 A CB 1.137 20.213 19.000 0.128 0.000 1.287 79 A HN 0.791 nan 8.150 nan 0.000 0.436 80 R N 1.074 121.399 120.500 -0.290 0.000 2.254 80 R HA 0.365 4.705 4.340 -0.000 0.000 0.318 80 R C -0.490 175.564 176.300 -0.411 0.000 1.031 80 R CA -0.327 55.495 56.100 -0.465 0.000 0.905 80 R CB 1.242 30.974 30.300 -0.946 0.000 1.050 80 R HN 0.633 nan 8.270 nan 0.000 0.456 81 K N 3.246 123.431 120.400 -0.358 0.000 2.334 81 K HA 0.182 4.502 4.320 -0.000 0.000 0.265 81 K C -1.080 175.386 176.600 -0.224 0.000 1.039 81 K CA -0.603 55.441 56.287 -0.405 0.000 0.920 81 K CB 0.568 32.883 32.500 -0.307 0.000 1.160 81 K HN 0.579 nan 8.250 nan 0.000 0.451 82 H N 3.115 122.236 119.070 0.085 0.000 2.527 82 H HA 0.295 4.851 4.556 0.000 0.000 0.321 82 H C -0.971 174.557 175.328 0.335 0.000 1.087 82 H CA 0.065 56.195 56.048 0.136 0.000 1.337 82 H CB 0.607 30.425 29.762 0.092 0.000 1.440 82 H HN 0.520 nan 8.280 nan 0.000 0.490 83 Y N -0.132 120.231 120.300 0.105 0.000 2.662 83 Y HA 0.402 4.952 4.550 -0.000 0.000 0.334 83 Y C -2.189 173.694 175.900 -0.029 0.000 1.185 83 Y CA -1.822 56.354 58.100 0.127 0.000 1.074 83 Y CB 0.461 39.064 38.460 0.238 0.000 1.330 83 Y HN 0.361 nan 8.280 nan 0.000 0.458 84 F N 2.967 123.078 119.950 0.269 0.000 2.391 84 F HA 0.620 5.147 4.527 -0.000 0.000 0.359 84 F C -0.814 175.193 175.800 0.345 0.000 1.122 84 F CA -0.357 57.751 58.000 0.180 0.000 1.120 84 F CB 1.051 40.135 39.000 0.139 0.000 1.142 84 F HN 0.548 nan 8.300 nan 0.000 0.483 85 Y N 4.807 125.208 120.300 0.168 0.000 2.474 85 Y HA 0.275 4.825 4.550 -0.000 0.000 0.326 85 Y C -2.188 173.757 175.900 0.076 0.000 1.160 85 Y CA -2.428 55.775 58.100 0.173 0.000 1.056 85 Y CB 2.026 40.654 38.460 0.279 0.000 1.330 85 Y HN 0.228 nan 8.280 nan 0.000 0.447 86 P HA -0.154 nan 4.420 nan 0.000 0.218 86 P C 0.606 177.856 177.300 -0.082 0.000 1.146 86 P CA 2.033 65.033 63.100 -0.167 0.000 0.813 86 P CB 0.260 31.809 31.700 -0.251 0.000 0.778 87 D N -1.653 118.738 120.400 -0.016 0.000 2.336 87 D HA 0.001 4.641 4.640 -0.000 0.000 0.229 87 D C 0.225 176.547 176.300 0.036 0.000 1.061 87 D CA 0.106 54.135 54.000 0.048 0.000 0.875 87 D CB -0.565 40.306 40.800 0.118 0.000 0.904 87 D HN 0.129 nan 8.370 nan 0.000 0.525 88 L N 1.374 122.594 121.223 -0.005 0.000 2.384 88 L HA 0.354 4.694 4.340 -0.000 0.000 0.261 88 L C -1.920 174.839 176.870 -0.184 0.000 1.024 88 L CA -1.891 52.874 54.840 -0.124 0.000 0.899 88 L CB 1.662 43.558 42.059 -0.272 0.000 1.243 88 L HN -0.308 nan 8.230 nan 0.000 0.449 89 P HA -0.171 nan 4.420 nan 0.000 0.219 89 P C 0.562 177.719 177.300 -0.238 0.000 1.146 89 P CA 1.393 64.396 63.100 -0.161 0.000 0.808 89 P CB 0.313 31.939 31.700 -0.124 0.000 0.779 90 K N -2.005 118.158 120.400 -0.395 0.000 2.354 90 K HA 0.261 4.581 4.320 -0.000 0.000 0.194 90 K C 1.258 177.522 176.600 -0.561 0.000 1.038 90 K CA 0.595 56.542 56.287 -0.565 0.000 1.052 90 K CB 0.054 31.939 32.500 -1.025 0.000 0.861 90 K HN 0.115 nan 8.250 nan 0.000 0.535 91 G N 1.488 109.979 108.800 -0.514 0.000 2.159 91 G HA2 -0.294 3.666 3.960 -0.000 0.000 0.256 91 G HA3 -0.294 3.666 3.960 -0.000 0.000 0.256 91 G C -0.235 174.421 174.900 -0.406 0.000 0.977 91 G CA 0.925 45.677 45.100 -0.580 0.000 0.652 91 G HN 0.433 nan 8.290 nan 0.000 0.531 92 Y N -2.681 117.403 120.300 -0.360 0.000 2.609 92 Y HA 0.800 5.350 4.550 -0.000 0.000 0.336 92 Y C -0.574 175.133 175.900 -0.322 0.000 1.129 92 Y CA -1.441 56.422 58.100 -0.394 0.000 1.040 92 Y CB 0.993 39.156 38.460 -0.495 0.000 1.310 92 Y HN 0.173 nan 8.280 nan 0.000 0.460 93 Q N 2.358 122.132 119.800 -0.044 0.000 2.293 93 Q HA 0.554 4.894 4.340 -0.000 0.000 0.261 93 Q C -1.286 174.788 176.000 0.123 0.000 0.960 93 Q CA -0.886 54.935 55.803 0.031 0.000 0.882 93 Q CB 1.453 30.237 28.738 0.075 0.000 1.275 93 Q HN 0.828 nan 8.270 nan 0.000 0.445 94 I N 3.565 124.227 120.570 0.153 0.000 2.337 94 I HA 0.129 4.299 4.170 -0.000 0.000 0.291 94 I C 0.227 176.522 176.117 0.295 0.000 1.046 94 I CA 0.155 61.530 61.300 0.126 0.000 1.324 94 I CB 0.609 38.514 38.000 -0.160 0.000 1.409 94 I HN 0.652 nan 8.210 nan 0.000 0.494 95 S N 5.071 120.936 115.700 0.275 0.000 3.331 95 S HA 0.603 5.073 4.470 -0.000 0.000 0.316 95 S C -0.735 173.986 174.600 0.201 0.000 1.104 95 S CA -0.988 57.397 58.200 0.309 0.000 0.977 95 S CB 1.359 64.682 63.200 0.205 0.000 1.370 95 S HN 0.554 nan 8.310 nan 0.000 0.731 96 Q N -1.010 118.724 119.800 -0.110 0.000 2.433 96 Q HA 0.608 4.948 4.340 -0.000 0.000 0.279 96 Q C -1.277 174.545 176.000 -0.298 0.000 1.105 96 Q CA -0.722 54.955 55.803 -0.210 0.000 0.815 96 Q CB 1.958 30.560 28.738 -0.227 0.000 1.403 96 Q HN 0.674 nan 8.270 nan 0.000 0.435 97 Y N 0.604 120.694 120.300 -0.350 0.000 2.473 97 Y HA 0.180 4.730 4.550 -0.000 0.000 0.094 97 Y C -0.390 175.323 175.900 -0.312 0.000 0.933 97 Y CA -0.280 57.556 58.100 -0.441 0.000 1.798 97 Y CB 0.157 38.226 38.460 -0.652 0.000 1.118 97 Y HN 0.649 nan 8.280 nan 0.000 0.223 98 E N 2.608 122.400 120.200 -0.681 0.000 2.404 98 E HA 0.116 4.466 4.350 -0.000 0.000 0.261 98 E C -0.719 175.724 176.600 -0.262 0.000 1.074 98 E CA -0.035 56.074 56.400 -0.484 0.000 0.917 98 E CB 0.402 29.839 29.700 -0.437 0.000 0.965 98 E HN 0.330 nan 8.360 nan 0.000 0.433 99 K N -1.110 119.147 120.400 -0.238 0.000 3.239 99 K HA -0.084 4.236 4.320 -0.000 0.000 0.270 99 K C -2.474 174.022 176.600 -0.172 0.000 1.083 99 K CA 0.350 56.515 56.287 -0.203 0.000 0.782 99 K CB -2.081 30.327 32.500 -0.153 0.000 1.290 99 K HN 0.585 nan 8.250 nan 0.000 0.474 100 P HA 0.126 nan 4.420 nan 0.000 0.278 100 P C 1.131 178.444 177.300 0.021 0.000 1.266 100 P CA -0.804 62.269 63.100 -0.044 0.000 0.807 100 P CB 0.832 32.557 31.700 0.041 0.000 1.094 101 L N 0.724 121.975 121.223 0.046 0.000 2.012 101 L HA 0.016 4.356 4.340 -0.000 0.000 0.210 101 L C 0.829 177.781 176.870 0.137 0.000 1.073 101 L CA 2.263 57.139 54.840 0.061 0.000 0.748 101 L CB -1.085 40.986 42.059 0.022 0.000 0.891 101 L HN 0.581 nan 8.230 nan 0.000 0.431 102 A N -2.764 120.132 122.820 0.126 0.000 2.556 102 A HA 0.731 5.051 4.320 -0.000 0.000 0.294 102 A C -0.550 177.099 177.584 0.107 0.000 1.091 102 A CA -0.168 51.907 52.037 0.065 0.000 0.704 102 A CB 1.549 20.524 19.000 -0.041 0.000 1.300 102 A HN 0.044 nan 8.150 nan 0.000 0.406 103 T N -0.099 114.501 114.554 0.075 0.000 2.840 103 T HA 0.492 4.842 4.350 -0.000 0.000 0.317 103 T C -1.001 173.741 174.700 0.069 0.000 1.401 103 T CA -0.133 62.041 62.100 0.124 0.000 1.028 103 T CB 0.775 69.834 68.868 0.319 0.000 1.317 103 T HN 1.131 nan 8.240 nan 0.000 0.495 104 N N 0.565 119.315 118.700 0.083 0.000 2.671 104 N HA -0.121 4.619 4.740 -0.000 0.000 0.261 104 N C -0.054 175.541 175.510 0.142 0.000 1.053 104 N CA 0.857 53.972 53.050 0.108 0.000 0.732 104 N CB -0.585 37.967 38.487 0.107 0.000 0.887 104 N HN 0.791 nan 8.380 nan 0.000 0.546 105 G N -0.570 108.301 108.800 0.119 0.000 3.016 105 G HA2 0.806 4.766 3.960 -0.000 0.000 0.270 105 G HA3 0.806 4.766 3.960 -0.000 0.000 0.270 105 G C -0.984 174.078 174.900 0.270 0.000 1.352 105 G CA -0.484 44.664 45.100 0.081 0.000 1.060 105 G HN 0.439 nan 8.290 nan 0.000 0.538 106 W N -1.894 119.412 121.300 0.011 0.000 3.248 106 W HA 0.667 5.327 4.660 -0.000 0.000 0.311 106 W C -2.029 174.510 176.519 0.032 0.000 1.258 106 W CA -1.280 56.082 57.345 0.029 0.000 1.191 106 W CB 1.060 30.526 29.460 0.011 0.000 1.389 106 W HN 0.412 nan 8.180 nan 0.000 0.561 107 V N 2.224 122.309 119.914 0.285 0.000 2.604 107 V HA 0.369 4.489 4.120 -0.000 0.000 0.305 107 V C -0.538 175.697 176.094 0.235 0.000 1.043 107 V CA -0.912 61.481 62.300 0.155 0.000 0.888 107 V CB 1.684 33.551 31.823 0.074 0.000 0.995 107 V HN 0.657 nan 8.190 nan 0.000 0.429 108 E N 3.407 123.697 120.200 0.150 0.000 2.146 108 E HA 0.435 4.785 4.350 -0.000 0.000 0.282 108 E C -1.540 175.066 176.600 0.010 0.000 0.989 108 E CA -0.736 55.727 56.400 0.105 0.000 0.799 108 E CB 1.247 31.004 29.700 0.095 0.000 1.088 108 E HN 0.380 nan 8.360 nan 0.000 0.397 109 L N 4.487 125.723 121.223 0.022 0.000 2.289 109 L HA 0.285 4.625 4.340 -0.000 0.000 0.285 109 L C -0.399 176.442 176.870 -0.048 0.000 1.049 109 L CA -0.465 54.364 54.840 -0.018 0.000 0.804 109 L CB 1.140 43.215 42.059 0.027 0.000 1.195 109 L HN 0.467 nan 8.230 nan 0.000 0.428 110 N N 4.456 123.102 118.700 -0.090 0.000 2.426 110 N HA 0.448 5.188 4.740 -0.000 0.000 0.257 110 N C -0.573 174.897 175.510 -0.066 0.000 1.002 110 N CA -0.322 52.670 53.050 -0.097 0.000 0.942 110 N CB 1.204 39.591 38.487 -0.168 0.000 1.112 110 N HN 0.413 nan 8.380 nan 0.000 0.499 111 L N 3.249 124.446 121.223 -0.042 0.000 2.421 111 L HA 0.393 4.733 4.340 -0.000 0.000 0.263 111 L C -0.724 176.134 176.870 -0.021 0.000 1.122 111 L CA -1.578 53.246 54.840 -0.027 0.000 0.804 111 L CB 0.740 42.789 42.059 -0.017 0.000 1.150 111 L HN 0.295 nan 8.230 nan 0.000 0.457 112 P HA -0.198 nan 4.420 nan 0.000 0.214 112 P C 0.799 178.099 177.300 0.000 0.000 1.163 112 P CA 1.722 64.820 63.100 -0.003 0.000 0.889 112 P CB -0.291 31.408 31.700 -0.002 0.000 0.790 113 N N -0.226 118.473 118.700 -0.002 0.000 2.503 113 N HA -0.101 4.639 4.740 -0.000 0.000 0.189 113 N C 1.413 176.924 175.510 0.001 0.000 1.048 113 N CA 1.912 54.962 53.050 -0.001 0.000 0.905 113 N CB -1.358 37.127 38.487 -0.004 0.000 0.951 113 N HN 0.383 nan 8.380 nan 0.000 0.446 114 G N -1.432 107.368 108.800 -0.001 0.000 2.195 114 G HA2 -0.275 3.685 3.960 -0.000 0.000 0.224 114 G HA3 -0.275 3.685 3.960 -0.000 0.000 0.224 114 G C -0.384 174.513 174.900 -0.005 0.000 0.990 114 G CA 0.125 45.226 45.100 0.002 0.000 0.639 114 G HN 0.531 nan 8.290 nan 0.000 0.514 115 E N 0.602 120.796 120.200 -0.010 0.000 2.319 115 E HA 0.583 4.933 4.350 -0.000 0.000 0.268 115 E C 0.086 176.673 176.600 -0.021 0.000 1.050 115 E CA -0.217 56.175 56.400 -0.013 0.000 0.878 115 E CB 0.834 30.527 29.700 -0.012 0.000 1.066 115 E HN 0.263 nan 8.360 nan 0.000 0.406 116 K N 2.020 122.407 120.400 -0.021 0.000 2.244 116 K HA 0.346 4.666 4.320 -0.000 0.000 0.260 116 K C -0.551 176.040 176.600 -0.016 0.000 0.951 116 K CA -0.652 55.620 56.287 -0.024 0.000 0.826 116 K CB 1.667 34.151 32.500 -0.027 0.000 1.108 116 K HN 0.223 nan 8.250 nan 0.000 0.433 117 K N 2.482 122.879 120.400 -0.006 0.000 2.385 117 K HA 0.354 4.674 4.320 -0.000 0.000 0.248 117 K C -1.223 175.394 176.600 0.029 0.000 0.955 117 K CA -0.767 55.522 56.287 0.003 0.000 0.816 117 K CB 1.616 34.121 32.500 0.007 0.000 1.250 117 K HN 0.366 nan 8.250 nan 0.000 0.434 118 K N 1.754 122.169 120.400 0.026 0.000 2.182 118 K HA 0.405 4.725 4.320 -0.000 0.000 0.262 118 K C -1.270 175.381 176.600 0.086 0.000 0.957 118 K CA -0.812 55.517 56.287 0.069 0.000 0.842 118 K CB 2.099 34.601 32.500 0.004 0.000 1.099 118 K HN 0.232 nan 8.250 nan 0.000 0.438 119 V N 4.026 124.035 119.914 0.158 0.000 2.409 119 V HA 0.357 4.477 4.120 -0.000 0.000 0.291 119 V C -0.083 176.115 176.094 0.172 0.000 1.020 119 V CA -0.892 61.477 62.300 0.116 0.000 0.848 119 V CB 1.415 33.298 31.823 0.100 0.000 0.990 119 V HN 0.695 nan 8.190 nan 0.000 0.430 120 R N 4.293 124.854 120.500 0.103 0.000 2.490 120 R HA 0.460 4.800 4.340 -0.000 0.000 0.280 120 R C -0.601 175.758 176.300 0.098 0.000 1.077 120 R CA -0.496 55.687 56.100 0.140 0.000 1.065 120 R CB 0.792 31.147 30.300 0.092 0.000 1.003 120 R HN 0.511 nan 8.270 nan 0.000 0.470 121 I N 3.726 124.371 120.570 0.126 0.000 2.304 121 I HA 0.113 4.283 4.170 -0.000 0.000 0.291 121 I C 1.503 177.651 176.117 0.052 0.000 1.018 121 I CA 0.073 61.417 61.300 0.075 0.000 1.260 121 I CB 1.216 39.254 38.000 0.064 0.000 1.390 121 I HN 0.697 nan 8.210 nan 0.000 0.475 122 R N 6.446 126.960 120.500 0.023 0.000 2.062 122 R HA 0.015 4.355 4.340 -0.000 0.000 0.229 122 R C 0.341 176.658 176.300 0.028 0.000 1.128 122 R CA 1.157 57.268 56.100 0.019 0.000 0.960 122 R CB 0.449 30.747 30.300 -0.004 0.000 0.855 122 R HN 0.782 nan 8.270 nan 0.000 0.432 123 R N -1.009 119.502 120.500 0.019 0.000 2.692 123 R HA 0.364 4.704 4.340 -0.000 0.000 0.269 123 R C -1.918 174.375 176.300 -0.012 0.000 1.030 123 R CA -0.878 55.240 56.100 0.030 0.000 0.882 123 R CB 0.859 31.199 30.300 0.066 0.000 1.250 123 R HN 0.091 nan 8.270 nan 0.000 0.465 124 L N 2.719 123.941 121.223 -0.002 0.000 2.406 124 L HA 0.552 4.892 4.340 -0.000 0.000 0.272 124 L C -1.031 175.848 176.870 0.015 0.000 0.980 124 L CA -0.490 54.317 54.840 -0.054 0.000 0.831 124 L CB 1.587 43.619 42.059 -0.045 0.000 1.253 124 L HN 0.897 nan 8.230 nan 0.000 0.406 125 H N 3.585 122.659 119.070 0.006 0.000 2.797 125 H HA 0.547 5.103 4.556 -0.000 0.000 0.372 125 H C -1.184 174.181 175.328 0.061 0.000 1.168 125 H CA -1.132 54.927 56.048 0.019 0.000 1.163 125 H CB 1.979 31.752 29.762 0.019 0.000 1.778 125 H HN 0.470 nan 8.280 nan 0.000 0.551 126 I N 1.647 122.388 120.570 0.286 0.000 2.472 126 I HA 0.190 4.360 4.170 -0.000 0.000 0.290 126 I C 0.021 176.424 176.117 0.477 0.000 1.016 126 I CA 0.142 61.633 61.300 0.319 0.000 1.348 126 I CB 1.187 39.403 38.000 0.360 0.000 1.417 126 I HN 0.760 nan 8.210 nan 0.000 0.521 127 E N 4.264 124.695 120.200 0.386 0.000 2.422 127 E HA 0.394 4.744 4.350 -0.000 0.000 0.280 127 E C -1.784 174.964 176.600 0.248 0.000 1.091 127 E CA -1.140 55.501 56.400 0.400 0.000 0.849 127 E CB 1.254 31.213 29.700 0.433 0.000 1.353 127 E HN 0.601 nan 8.360 nan 0.000 0.449 128 E N 1.095 121.456 120.200 0.267 0.000 2.222 128 E HA 0.411 4.761 4.350 -0.000 0.000 0.272 128 E C -0.926 175.758 176.600 0.141 0.000 0.982 128 E CA -0.890 55.608 56.400 0.164 0.000 0.842 128 E CB 1.469 31.347 29.700 0.297 0.000 1.144 128 E HN 0.401 nan 8.360 nan 0.000 0.397 129 D N 0.553 121.004 120.400 0.086 0.000 2.348 129 D HA 0.380 5.020 4.640 -0.000 0.000 0.249 129 D C -0.616 175.716 176.300 0.053 0.000 1.110 129 D CA -0.303 53.736 54.000 0.063 0.000 0.967 129 D CB 1.498 42.327 40.800 0.049 0.000 1.139 129 D HN 0.586 nan 8.370 nan 0.000 0.466 130 A N 0.914 123.763 122.820 0.048 0.000 2.246 130 A HA 0.652 4.972 4.320 -0.000 0.000 0.291 130 A C 0.800 178.407 177.584 0.037 0.000 1.103 130 A CA 0.073 52.136 52.037 0.044 0.000 0.844 130 A CB 0.179 19.230 19.000 0.085 0.000 1.136 130 A HN 0.522 nan 8.150 nan 0.000 0.500 131 G N -0.849 107.969 108.800 0.029 0.000 2.516 131 G HA2 0.465 4.425 3.960 -0.000 0.000 0.276 131 G HA3 0.465 4.425 3.960 -0.000 0.000 0.276 131 G C -0.137 174.782 174.900 0.031 0.000 1.390 131 G CA -0.168 44.943 45.100 0.017 0.000 1.050 131 G HN 0.873 nan 8.290 nan 0.000 0.519 132 K N -0.411 119.993 120.400 0.007 0.000 2.378 132 K HA 0.346 4.666 4.320 -0.000 0.000 0.252 132 K C -1.126 175.452 176.600 -0.037 0.000 0.931 132 K CA -0.792 55.495 56.287 0.002 0.000 0.794 132 K CB 1.152 33.647 32.500 -0.008 0.000 1.181 132 K HN 0.360 nan 8.250 nan 0.000 0.425 133 N N 3.109 121.777 118.700 -0.054 0.000 2.456 133 N HA 0.401 5.141 4.740 -0.000 0.000 0.288 133 N C -1.056 174.285 175.510 -0.282 0.000 1.059 133 N CA -0.338 52.618 53.050 -0.157 0.000 0.946 133 N CB 1.087 39.486 38.487 -0.148 0.000 1.150 133 N HN 0.475 nan 8.380 nan 0.000 0.479 134 I N 2.059 122.448 120.570 -0.302 0.000 2.433 134 I HA 0.174 4.344 4.170 -0.000 0.000 0.292 134 I C -0.237 175.656 176.117 -0.372 0.000 1.001 134 I CA -0.580 60.529 61.300 -0.319 0.000 1.119 134 I CB 1.082 38.996 38.000 -0.143 0.000 1.289 134 I HN 0.339 nan 8.210 nan 0.000 0.438 135 H N 5.474 124.545 119.070 0.001 0.000 2.489 135 H HA 0.478 5.034 4.556 -0.000 0.000 0.322 135 H C -0.788 174.536 175.328 -0.006 0.000 1.091 135 H CA -0.528 55.518 56.048 -0.003 0.000 1.291 135 H CB 1.504 31.268 29.762 0.003 0.000 1.436 135 H HN 0.498 nan 8.280 nan 0.000 0.480 136 E N 1.899 122.157 120.200 0.096 0.000 2.432 136 E HA 0.379 4.729 4.350 -0.000 0.000 0.272 136 E C 0.347 176.970 176.600 0.038 0.000 0.937 136 E CA -0.064 56.364 56.400 0.047 0.000 0.812 136 E CB 0.753 30.463 29.700 0.016 0.000 1.377 136 E HN 0.974 nan 8.360 nan 0.000 0.399 137 G N 4.242 113.061 108.800 0.032 0.000 2.531 137 G HA2 -0.348 3.612 3.960 -0.000 0.000 0.274 137 G HA3 -0.348 3.612 3.960 -0.000 0.000 0.274 137 G C 0.359 175.270 174.900 0.019 0.000 1.159 137 G CA 0.349 45.460 45.100 0.018 0.000 0.969 137 G HN 0.710 nan 8.290 nan 0.000 0.554 138 D N 1.322 121.729 120.400 0.012 0.000 2.336 138 D HA 0.279 4.919 4.640 -0.000 0.000 0.228 138 D C 0.667 176.976 176.300 0.015 0.000 1.120 138 D CA 0.499 54.503 54.000 0.008 0.000 0.839 138 D CB 0.094 40.895 40.800 0.000 0.000 0.932 138 D HN 0.631 nan 8.370 nan 0.000 0.509 139 K N -0.759 119.656 120.400 0.026 0.000 2.385 139 K HA 0.529 4.849 4.320 -0.000 0.000 0.248 139 K C -0.782 175.852 176.600 0.057 0.000 0.955 139 K CA -0.730 55.573 56.287 0.027 0.000 0.816 139 K CB 2.180 34.686 32.500 0.010 0.000 1.250 139 K HN -0.201 nan 8.250 nan 0.000 0.434 140 T N 1.992 116.573 114.554 0.046 0.000 2.794 140 T HA 0.395 4.745 4.350 -0.000 0.000 0.280 140 T C -0.987 173.695 174.700 -0.031 0.000 0.987 140 T CA -0.676 61.447 62.100 0.038 0.000 0.993 140 T CB 0.579 69.484 68.868 0.061 0.000 0.939 140 T HN 0.076 nan 8.240 nan 0.000 0.449 141 L N 4.030 125.213 121.223 -0.067 0.000 2.287 141 L HA 0.493 4.833 4.340 -0.000 0.000 0.287 141 L C -0.337 176.482 176.870 -0.084 0.000 1.022 141 L CA -0.522 54.278 54.840 -0.066 0.000 0.814 141 L CB 1.391 43.415 42.059 -0.059 0.000 1.217 141 L HN 0.417 nan 8.230 nan 0.000 0.420 142 V N 2.517 122.390 119.914 -0.067 0.000 2.347 142 V HA 0.369 4.489 4.120 -0.000 0.000 0.280 142 V C -0.382 175.679 176.094 -0.054 0.000 1.021 142 V CA -0.743 61.518 62.300 -0.065 0.000 0.847 142 V CB 1.587 33.373 31.823 -0.061 0.000 0.990 142 V HN 0.644 nan 8.190 nan 0.000 0.444 143 D N 4.511 124.878 120.400 -0.054 0.000 2.349 143 D HA 0.370 5.010 4.640 -0.000 0.000 0.232 143 D C 0.260 176.537 176.300 -0.039 0.000 1.071 143 D CA -0.330 53.640 54.000 -0.049 0.000 0.832 143 D CB 1.630 42.395 40.800 -0.059 0.000 1.086 143 D HN 0.445 nan 8.370 nan 0.000 0.504 144 L N 3.781 124.983 121.223 -0.035 0.000 2.728 144 L HA 0.191 4.531 4.340 -0.000 0.000 0.235 144 L C 1.494 178.349 176.870 -0.024 0.000 1.197 144 L CA -0.312 54.511 54.840 -0.027 0.000 0.992 144 L CB -0.221 41.820 42.059 -0.031 0.000 1.263 144 L HN 0.299 nan 8.230 nan 0.000 0.484 145 N N 1.236 119.919 118.700 -0.029 0.000 2.205 145 N HA -0.199 4.541 4.740 -0.000 0.000 0.186 145 N C 1.902 177.405 175.510 -0.013 0.000 1.015 145 N CA 1.173 54.208 53.050 -0.027 0.000 0.862 145 N CB 0.008 38.469 38.487 -0.042 0.000 0.986 145 N HN 0.416 nan 8.380 nan 0.000 0.429 146 R N 0.717 121.212 120.500 -0.007 0.000 2.254 146 R HA 0.265 4.605 4.340 -0.000 0.000 0.195 146 R C 0.213 176.522 176.300 0.015 0.000 0.957 146 R CA 0.029 56.135 56.100 0.011 0.000 1.024 146 R CB 0.104 30.418 30.300 0.022 0.000 0.952 146 R HN -0.010 nan 8.270 nan 0.000 0.484 147 A N 0.747 123.571 122.820 0.007 0.000 2.561 147 A HA 0.338 4.658 4.320 -0.000 0.000 0.251 147 A C 1.128 178.723 177.584 0.018 0.000 1.062 147 A CA 0.877 52.919 52.037 0.009 0.000 0.761 147 A CB -0.589 18.405 19.000 -0.011 0.000 0.986 147 A HN 0.709 nan 8.150 nan 0.000 0.510 148 G N 2.358 111.182 108.800 0.040 0.000 2.176 148 G HA2 -0.215 3.745 3.960 -0.000 0.000 0.253 148 G HA3 -0.215 3.745 3.960 -0.000 0.000 0.253 148 G C 0.450 175.344 174.900 -0.011 0.000 0.979 148 G CA 0.416 45.550 45.100 0.056 0.000 0.641 148 G HN 1.241 nan 8.290 nan 0.000 0.530 149 T N 3.570 118.124 114.554 0.000 0.000 2.928 149 T HA 0.451 4.801 4.350 -0.000 0.000 0.305 149 T C -2.069 172.618 174.700 -0.021 0.000 1.035 149 T CA -0.028 62.065 62.100 -0.011 0.000 1.145 149 T CB 1.488 70.369 68.868 0.021 0.000 0.963 149 T HN 0.202 nan 8.240 nan 0.000 0.545 150 P HA 0.413 nan 4.420 nan 0.000 0.280 150 P C -0.832 176.489 177.300 0.036 0.000 1.244 150 P CA -0.320 62.750 63.100 -0.050 0.000 0.784 150 P CB 0.534 32.184 31.700 -0.083 0.000 0.913 151 L N 2.729 124.000 121.223 0.080 0.000 2.401 151 L HA 0.523 4.863 4.340 -0.000 0.000 0.266 151 L C 0.128 177.069 176.870 0.118 0.000 0.991 151 L CA -0.846 54.070 54.840 0.126 0.000 0.818 151 L CB 2.147 44.328 42.059 0.202 0.000 1.321 151 L HN 0.207 nan 8.230 nan 0.000 0.413 152 M N 2.488 122.132 119.600 0.075 0.000 2.080 152 M HA 0.274 4.754 4.480 -0.000 0.000 0.350 152 M C -0.241 175.999 176.300 -0.100 0.000 1.173 152 M CA -0.145 55.157 55.300 0.004 0.000 1.052 152 M CB 1.344 33.943 32.600 -0.001 0.000 1.577 152 M HN 0.461 nan 8.290 nan 0.000 0.455 153 E N 4.512 124.544 120.200 -0.280 0.000 2.167 153 E HA 0.408 4.758 4.350 -0.000 0.000 0.284 153 E C -1.371 174.950 176.600 -0.466 0.000 1.016 153 E CA -0.344 55.716 56.400 -0.566 0.000 0.817 153 E CB 0.832 30.055 29.700 -0.796 0.000 1.080 153 E HN 0.620 nan 8.360 nan 0.000 0.397 154 I N 5.128 125.517 120.570 -0.301 0.000 2.362 154 I HA 0.246 4.416 4.170 -0.000 0.000 0.289 154 I C -0.797 175.252 176.117 -0.113 0.000 0.994 154 I CA -0.945 60.264 61.300 -0.150 0.000 1.158 154 I CB 1.717 39.691 38.000 -0.044 0.000 1.315 154 I HN 0.294 nan 8.210 nan 0.000 0.451 155 V N 5.161 125.025 119.914 -0.085 0.000 2.417 155 V HA 0.391 4.511 4.120 -0.000 0.000 0.291 155 V C 0.289 176.356 176.094 -0.046 0.000 1.024 155 V CA -0.485 61.779 62.300 -0.059 0.000 0.861 155 V CB 1.803 33.605 31.823 -0.035 0.000 0.985 155 V HN 0.704 nan 8.190 nan 0.000 0.436 156 T N 3.723 118.225 114.554 -0.087 0.000 2.918 156 T HA 0.324 4.674 4.350 -0.000 0.000 0.283 156 T C 0.021 174.662 174.700 -0.098 0.000 1.001 156 T CA -0.555 61.464 62.100 -0.135 0.000 1.041 156 T CB 0.956 69.624 68.868 -0.333 0.000 1.028 156 T HN 0.638 nan 8.240 nan 0.000 0.511 157 E N 2.676 122.831 120.200 -0.075 0.000 2.374 157 E HA 0.146 4.496 4.350 -0.000 0.000 0.260 157 E C -2.029 174.531 176.600 -0.067 0.000 1.101 157 E CA -2.129 54.237 56.400 -0.057 0.000 0.907 157 E CB 0.343 30.031 29.700 -0.020 0.000 1.014 157 E HN 0.327 nan 8.360 nan 0.000 0.427 158 P HA 0.083 nan 4.420 nan 0.000 0.231 158 P C -0.417 176.910 177.300 0.045 0.000 1.756 158 P CA 0.202 63.307 63.100 0.008 0.000 0.990 158 P CB -0.009 31.725 31.700 0.058 0.000 1.973 159 D N -0.119 120.270 120.400 -0.018 0.000 2.366 159 D HA 0.124 4.764 4.640 -0.000 0.000 0.205 159 D C 0.999 177.284 176.300 -0.026 0.000 1.022 159 D CA 0.263 54.258 54.000 -0.008 0.000 0.868 159 D CB 0.231 41.019 40.800 -0.020 0.000 0.953 159 D HN 0.323 nan 8.370 nan 0.000 0.514 160 I N 1.037 121.571 120.570 -0.060 0.000 2.519 160 I HA 0.121 4.291 4.170 -0.000 0.000 0.287 160 I C 1.469 177.572 176.117 -0.023 0.000 1.047 160 I CA -0.122 61.144 61.300 -0.056 0.000 1.381 160 I CB 1.171 39.107 38.000 -0.106 0.000 1.417 160 I HN -0.300 nan 8.210 nan 0.000 0.540 161 R N 2.478 122.970 120.500 -0.013 0.000 2.419 161 R HA 0.302 4.642 4.340 -0.000 0.000 0.235 161 R C -0.329 175.969 176.300 -0.003 0.000 0.899 161 R CA 0.220 56.316 56.100 -0.005 0.000 1.048 161 R CB 0.849 31.146 30.300 -0.005 0.000 1.182 161 R HN 0.551 nan 8.270 nan 0.000 0.544 162 T N 0.613 115.164 114.554 -0.005 0.000 2.956 162 T HA 0.267 4.617 4.350 -0.000 0.000 0.312 162 T C -2.312 172.387 174.700 -0.003 0.000 1.151 162 T CA -1.253 60.846 62.100 -0.002 0.000 1.024 162 T CB 2.685 71.553 68.868 -0.001 0.000 1.140 162 T HN -0.255 nan 8.240 nan 0.000 0.473 163 P HA -0.156 nan 4.420 nan 0.000 0.216 163 P C 1.333 178.633 177.300 -0.000 0.000 1.154 163 P CA 1.089 64.188 63.100 -0.000 0.000 0.865 163 P CB 0.322 32.025 31.700 0.005 0.000 0.789 164 E N 0.270 120.470 120.200 -0.000 0.000 2.077 164 E HA -0.229 4.121 4.350 -0.000 0.000 0.193 164 E C 1.845 178.441 176.600 -0.007 0.000 0.989 164 E CA 1.131 57.528 56.400 -0.005 0.000 0.800 164 E CB -0.441 29.257 29.700 -0.003 0.000 0.746 164 E HN 0.240 nan 8.360 nan 0.000 0.452 165 E N 0.309 120.509 120.200 0.000 0.000 2.085 165 E HA -0.232 4.118 4.350 -0.000 0.000 0.194 165 E C 2.083 178.704 176.600 0.036 0.000 0.994 165 E CA 1.063 57.471 56.400 0.013 0.000 0.801 165 E CB -0.185 29.521 29.700 0.010 0.000 0.743 165 E HN 0.443 nan 8.360 nan 0.000 0.453 166 A N 1.426 124.257 122.820 0.017 0.000 1.902 166 A HA -0.227 4.093 4.320 -0.000 0.000 0.217 166 A C 2.101 179.708 177.584 0.038 0.000 1.181 166 A CA 1.631 53.685 52.037 0.029 0.000 0.623 166 A CB -0.460 18.542 19.000 0.003 0.000 0.818 166 A HN 0.097 nan 8.150 nan 0.000 0.443 167 R N -0.450 120.041 120.500 -0.015 0.000 2.066 167 R HA -0.032 4.308 4.340 -0.000 0.000 0.232 167 R C 2.050 178.234 176.300 -0.193 0.000 1.131 167 R CA 1.453 57.495 56.100 -0.097 0.000 0.955 167 R CB -0.421 29.848 30.300 -0.052 0.000 0.851 167 R HN 0.501 nan 8.270 nan 0.000 0.432 168 L N 0.138 121.298 121.223 -0.105 0.000 2.042 168 L HA -0.215 4.125 4.340 -0.000 0.000 0.210 168 L C 2.367 179.152 176.870 -0.142 0.000 1.076 168 L CA 1.403 56.169 54.840 -0.123 0.000 0.749 168 L CB -0.534 41.489 42.059 -0.062 0.000 0.893 168 L HN 0.232 nan 8.230 nan 0.000 0.432 169 F N 0.553 120.402 119.950 -0.168 0.000 2.069 169 F HA -0.273 4.254 4.527 0.000 0.000 0.298 169 F C 2.255 177.923 175.800 -0.220 0.000 1.113 169 F CA 1.665 59.574 58.000 -0.152 0.000 1.214 169 F CB -0.275 38.665 39.000 -0.100 0.000 0.978 169 F HN -0.140 nan 8.300 nan 0.000 0.474 170 L N 0.141 121.247 121.223 -0.195 0.000 2.042 170 L HA -0.253 4.087 4.340 -0.000 0.000 0.210 170 L C 2.430 178.792 176.870 -0.848 0.000 1.076 170 L CA 1.871 56.431 54.840 -0.465 0.000 0.749 170 L CB -0.732 41.041 42.059 -0.478 0.000 0.893 170 L HN 0.267 nan 8.230 nan 0.000 0.432 171 E N -0.337 119.341 120.200 -0.871 0.000 2.106 171 E HA -0.254 4.096 4.350 -0.000 0.000 0.192 171 E C 2.062 178.455 176.600 -0.345 0.000 0.984 171 E CA 0.948 56.978 56.400 -0.616 0.000 0.806 171 E CB 0.023 29.477 29.700 -0.410 0.000 0.750 171 E HN 0.186 nan 8.360 nan 0.000 0.458 172 K N 1.405 121.579 120.400 -0.377 0.000 2.062 172 K HA -0.121 4.199 4.320 -0.000 0.000 0.205 172 K C 2.016 178.400 176.600 -0.361 0.000 1.051 172 K CA 0.617 56.706 56.287 -0.331 0.000 0.941 172 K CB -0.460 31.841 32.500 -0.332 0.000 0.719 172 K HN 0.045 nan 8.250 nan 0.000 0.440 173 L N 1.272 122.173 121.223 -0.537 0.000 2.012 173 L HA -0.148 4.192 4.340 -0.000 0.000 0.210 173 L C 2.406 179.158 176.870 -0.196 0.000 1.073 173 L CA 1.996 56.580 54.840 -0.427 0.000 0.748 173 L CB -0.589 41.159 42.059 -0.520 0.000 0.891 173 L HN 0.259 nan 8.230 nan 0.000 0.431 174 R N -0.644 119.779 120.500 -0.128 0.000 2.083 174 R HA -0.244 4.096 4.340 -0.000 0.000 0.237 174 R C 2.240 178.550 176.300 0.016 0.000 1.137 174 R CA 1.984 58.099 56.100 0.024 0.000 0.951 174 R CB -0.453 29.961 30.300 0.191 0.000 0.851 174 R HN 0.473 nan 8.270 nan 0.000 0.434 175 N N 0.401 119.096 118.700 -0.009 0.000 2.142 175 N HA -0.097 4.643 4.740 -0.000 0.000 0.186 175 N C 1.749 177.318 175.510 0.097 0.000 1.023 175 N CA 1.524 54.619 53.050 0.074 0.000 0.852 175 N CB -0.112 38.394 38.487 0.031 0.000 0.998 175 N HN 0.264 nan 8.380 nan 0.000 0.424 176 I N 0.154 120.692 120.570 -0.053 0.000 2.163 176 I HA -0.317 3.853 4.170 -0.000 0.000 0.243 176 I C 2.082 178.188 176.117 -0.018 0.000 1.085 176 I CA 0.928 62.185 61.300 -0.072 0.000 1.347 176 I CB -0.266 37.641 38.000 -0.156 0.000 1.044 176 I HN 0.191 nan 8.210 nan 0.000 0.408 177 M N 0.105 119.684 119.600 -0.035 0.000 2.082 177 M HA -0.220 4.260 4.480 -0.000 0.000 0.258 177 M C 2.402 178.693 176.300 -0.015 0.000 1.069 177 M CA 1.817 57.096 55.300 -0.034 0.000 1.102 177 M CB -1.406 31.179 32.600 -0.025 0.000 1.336 177 M HN 0.217 nan 8.290 nan 0.000 0.404 178 R N -1.200 119.318 120.500 0.029 0.000 2.073 178 R HA -0.173 4.167 4.340 -0.000 0.000 0.234 178 R C 2.253 178.557 176.300 0.006 0.000 1.134 178 R CA 1.569 57.679 56.100 0.017 0.000 0.952 178 R CB -0.497 29.823 30.300 0.034 0.000 0.850 178 R HN 0.324 nan 8.270 nan 0.000 0.433 179 Y N 0.355 120.624 120.300 -0.052 0.000 2.145 179 Y HA -0.190 4.360 4.550 0.000 0.000 0.286 179 Y C 2.474 178.329 175.900 -0.075 0.000 1.145 179 Y CA 1.479 59.550 58.100 -0.048 0.000 1.148 179 Y CB -0.412 38.023 38.460 -0.042 0.000 0.981 179 Y HN 0.131 nan 8.280 nan 0.000 0.507 180 A N -0.526 122.328 122.820 0.056 0.000 2.070 180 A HA 0.125 4.445 4.320 -0.000 0.000 0.220 180 A C 2.085 179.582 177.584 -0.145 0.000 1.159 180 A CA 1.348 53.350 52.037 -0.057 0.000 0.656 180 A CB -1.274 17.667 19.000 -0.099 0.000 0.800 180 A HN 0.743 nan 8.150 nan 0.000 0.453 181 G N -1.720 106.994 108.800 -0.142 0.000 2.137 181 G HA2 -0.233 3.727 3.960 -0.000 0.000 0.237 181 G HA3 -0.233 3.727 3.960 -0.000 0.000 0.237 181 G C 0.941 175.618 174.900 -0.373 0.000 1.002 181 G CA 0.919 45.901 45.100 -0.198 0.000 0.702 181 G HN 1.594 nan 8.290 nan 0.000 0.515 182 V N -3.559 116.141 119.914 -0.355 0.000 3.174 182 V HA 0.660 4.780 4.120 -0.000 0.000 0.254 182 V C 0.919 176.965 176.094 -0.079 0.000 1.120 182 V CA 1.511 63.539 62.300 -0.454 0.000 1.114 182 V CB 0.863 32.493 31.823 -0.323 0.000 0.756 182 V HN 1.420 nan 8.190 nan 0.000 0.467 183 S N -1.014 114.660 115.700 -0.044 0.000 2.537 183 S HA 0.455 4.925 4.470 -0.000 0.000 0.271 183 S C 0.148 174.749 174.600 0.003 0.000 1.148 183 S CA -0.701 57.510 58.200 0.019 0.000 0.868 183 S CB 1.985 65.202 63.200 0.029 0.000 1.115 183 S HN 0.143 nan 8.310 nan 0.000 0.461 184 K N 2.065 122.470 120.400 0.009 0.000 2.228 184 K HA 0.238 4.558 4.320 -0.000 0.000 0.202 184 K C 1.277 177.872 176.600 -0.007 0.000 1.051 184 K CA 1.010 57.293 56.287 -0.008 0.000 0.960 184 K CB -0.784 31.703 32.500 -0.020 0.000 0.743 184 K HN 1.406 nan 8.250 nan 0.000 0.458 185 A N 2.245 125.068 122.820 0.004 0.000 2.783 185 A HA -0.170 4.150 4.320 -0.000 0.000 0.292 185 A C -0.712 176.869 177.584 -0.004 0.000 1.495 185 A CA 0.939 52.989 52.037 0.021 0.000 0.787 185 A CB -1.875 17.154 19.000 0.047 0.000 1.017 185 A HN 0.269 nan 8.150 nan 0.000 0.516 186 D N -0.095 120.268 120.400 -0.060 0.000 2.274 186 D HA 0.460 5.100 4.640 -0.000 0.000 0.239 186 D C 1.598 177.806 176.300 -0.153 0.000 1.104 186 D CA -0.429 53.491 54.000 -0.134 0.000 0.840 186 D CB 0.872 41.590 40.800 -0.138 0.000 1.100 186 D HN 0.430 nan 8.370 nan 0.000 0.477 187 M N 1.025 120.480 119.600 -0.242 0.000 2.149 187 M HA -0.205 4.275 4.480 -0.000 0.000 0.261 187 M C 1.897 178.128 176.300 -0.116 0.000 1.064 187 M CA 1.397 56.590 55.300 -0.179 0.000 1.102 187 M CB -0.198 32.237 32.600 -0.274 0.000 1.369 187 M HN 0.487 nan 8.290 nan 0.000 0.408 188 E N 1.623 121.734 120.200 -0.148 0.000 2.114 188 E HA -0.232 4.118 4.350 -0.000 0.000 0.199 188 E C 1.047 177.577 176.600 -0.116 0.000 1.008 188 E CA 1.551 57.886 56.400 -0.108 0.000 0.810 188 E CB 0.066 29.689 29.700 -0.128 0.000 0.739 188 E HN 0.545 nan 8.360 nan 0.000 0.456 189 K N -1.098 119.192 120.400 -0.184 0.000 2.410 189 K HA 0.227 4.547 4.320 -0.000 0.000 0.200 189 K C 0.871 177.429 176.600 -0.070 0.000 1.023 189 K CA 0.396 56.504 56.287 -0.299 0.000 1.149 189 K CB 0.885 33.075 32.500 -0.517 0.000 0.859 189 K HN 0.267 nan 8.250 nan 0.000 0.514 190 G N 2.295 111.093 108.800 -0.003 0.000 2.155 190 G HA2 -0.344 3.616 3.960 -0.000 0.000 0.257 190 G HA3 -0.344 3.616 3.960 -0.000 0.000 0.257 190 G C 0.660 175.589 174.900 0.049 0.000 0.983 190 G CA 0.453 45.586 45.100 0.055 0.000 0.676 190 G HN 0.485 nan 8.290 nan 0.000 0.528 191 Q N -1.241 118.567 119.800 0.012 0.000 2.432 191 Q HA 0.423 4.763 4.340 -0.000 0.000 0.205 191 Q C 0.965 176.994 176.000 0.049 0.000 0.945 191 Q CA 0.742 56.561 55.803 0.027 0.000 0.924 191 Q CB 0.647 29.382 28.738 -0.005 0.000 1.016 191 Q HN 0.631 nan 8.270 nan 0.000 0.503 192 L N 0.541 121.792 121.223 0.046 0.000 2.516 192 L HA 0.440 4.780 4.340 -0.000 0.000 0.267 192 L C -1.437 175.490 176.870 0.096 0.000 0.957 192 L CA -0.491 54.399 54.840 0.084 0.000 0.860 192 L CB 1.683 43.796 42.059 0.089 0.000 1.265 192 L HN -0.130 nan 8.230 nan 0.000 0.403 193 R N 3.161 123.745 120.500 0.141 0.000 2.778 193 R HA 0.732 5.072 4.340 -0.000 0.000 0.277 193 R C -1.600 174.809 176.300 0.181 0.000 0.977 193 R CA -0.621 55.568 56.100 0.149 0.000 0.950 193 R CB 2.161 32.544 30.300 0.140 0.000 1.165 193 R HN 0.632 nan 8.270 nan 0.000 0.474 194 C N 1.888 121.287 119.300 0.164 0.000 2.551 194 C HA 0.418 4.878 4.460 -0.000 0.000 0.332 194 C C -1.585 173.483 174.990 0.130 0.000 1.139 194 C CA -0.627 58.487 59.018 0.159 0.000 1.328 194 C CB 0.978 28.824 27.740 0.178 0.000 1.903 194 C HN 0.729 nan 8.230 nan 0.000 0.459 195 D N 5.086 125.557 120.400 0.119 0.000 2.278 195 D HA 0.539 5.179 4.640 -0.000 0.000 0.245 195 D C -0.370 175.968 176.300 0.063 0.000 1.052 195 D CA 0.066 54.122 54.000 0.093 0.000 0.834 195 D CB 1.823 42.683 40.800 0.101 0.000 1.194 195 D HN 0.555 nan 8.370 nan 0.000 0.481 196 I N 1.817 122.417 120.570 0.050 0.000 2.412 196 I HA 0.265 4.435 4.170 -0.000 0.000 0.296 196 I C 0.160 176.292 176.117 0.024 0.000 0.987 196 I CA -0.745 60.571 61.300 0.027 0.000 1.180 196 I CB 1.132 39.142 38.000 0.018 0.000 1.340 196 I HN -0.002 nan 8.210 nan 0.000 0.455 197 N N 5.416 124.122 118.700 0.010 0.000 2.314 197 N HA 0.566 5.306 4.740 -0.000 0.000 0.294 197 N C -1.502 174.014 175.510 0.010 0.000 1.029 197 N CA -0.387 52.670 53.050 0.013 0.000 0.845 197 N CB 3.302 41.793 38.487 0.007 0.000 1.321 197 N HN 0.308 nan 8.380 nan 0.000 0.481 198 V N 1.324 121.249 119.914 0.018 0.000 2.777 198 V HA 0.616 4.736 4.120 -0.000 0.000 0.306 198 V C -1.016 175.093 176.094 0.024 0.000 1.112 198 V CA -0.358 61.953 62.300 0.018 0.000 0.917 198 V CB 1.791 33.618 31.823 0.006 0.000 1.018 198 V HN 0.854 nan 8.190 nan 0.000 0.426 199 S N 6.728 122.452 115.700 0.039 0.000 2.632 199 S HA 0.844 5.314 4.470 -0.000 0.000 0.289 199 S C -0.541 174.076 174.600 0.028 0.000 1.115 199 S CA -0.723 57.503 58.200 0.042 0.000 0.889 199 S CB 1.998 65.254 63.200 0.092 0.000 1.116 199 S HN 1.367 nan 8.310 nan 0.000 0.486 200 I N -1.501 119.074 120.570 0.009 0.000 3.023 200 I HA 0.872 5.042 4.170 -0.000 0.000 0.312 200 I C -0.564 175.592 176.117 0.064 0.000 1.056 200 I CA -1.267 60.038 61.300 0.010 0.000 1.033 200 I CB 2.004 39.950 38.000 -0.090 0.000 1.233 200 I HN 0.855 nan 8.210 nan 0.000 0.462 201 R N 2.771 123.360 120.500 0.147 0.000 2.572 201 R HA 0.412 4.752 4.340 -0.000 0.000 0.273 201 R C -3.001 173.390 176.300 0.152 0.000 1.168 201 R CA -1.312 54.852 56.100 0.107 0.000 1.021 201 R CB 2.200 32.489 30.300 -0.019 0.000 1.249 201 R HN 0.408 nan 8.270 nan 0.000 0.423 202 P HA -0.090 nan 4.420 nan 0.000 0.261 202 P C -0.739 176.491 177.300 -0.117 0.000 1.173 202 P CA 0.267 63.273 63.100 -0.156 0.000 0.760 202 P CB 0.465 32.071 31.700 -0.156 0.000 0.783 203 K N 2.403 122.717 120.400 -0.144 0.000 2.524 203 K HA 0.068 4.388 4.320 -0.000 0.000 0.279 203 K C 1.476 178.022 176.600 -0.090 0.000 0.993 203 K CA 1.405 57.636 56.287 -0.094 0.000 1.030 203 K CB -0.366 32.082 32.500 -0.088 0.000 0.891 203 K HN 0.857 nan 8.250 nan 0.000 0.488 204 G N 1.630 110.382 108.800 -0.079 0.000 2.189 204 G HA2 -0.312 3.648 3.960 -0.000 0.000 0.267 204 G HA3 -0.312 3.648 3.960 -0.000 0.000 0.267 204 G C 0.248 175.095 174.900 -0.089 0.000 0.975 204 G CA 0.780 45.833 45.100 -0.077 0.000 0.644 204 G HN 0.646 nan 8.290 nan 0.000 0.537 205 S N -0.514 115.124 115.700 -0.103 0.000 2.585 205 S HA 0.521 4.991 4.470 -0.000 0.000 0.273 205 S C 1.370 175.869 174.600 -0.168 0.000 1.339 205 S CA 0.767 58.897 58.200 -0.116 0.000 1.028 205 S CB 0.907 64.042 63.200 -0.108 0.000 0.906 205 S HN 0.416 nan 8.310 nan 0.000 0.528 206 K N 1.050 121.351 120.400 -0.164 0.000 2.360 206 K HA 0.203 4.523 4.320 -0.000 0.000 0.196 206 K C 0.213 176.631 176.600 -0.303 0.000 1.049 206 K CA -0.136 56.023 56.287 -0.214 0.000 1.049 206 K CB 0.209 32.647 32.500 -0.105 0.000 0.881 206 K HN 0.579 nan 8.250 nan 0.000 0.542 207 E N 0.629 120.701 120.200 -0.214 0.000 2.390 207 E HA 0.110 4.460 4.350 -0.000 0.000 0.261 207 E C -1.079 175.352 176.600 -0.281 0.000 1.076 207 E CA -0.068 56.253 56.400 -0.132 0.000 0.905 207 E CB 0.390 30.065 29.700 -0.041 0.000 0.984 207 E HN -0.087 nan 8.360 nan 0.000 0.427 208 F N 1.802 121.758 119.950 0.010 0.000 2.415 208 F HA 0.472 4.999 4.527 -0.000 0.000 0.348 208 F C 1.075 176.884 175.800 0.014 0.000 1.119 208 F CA -0.251 57.755 58.000 0.011 0.000 1.069 208 F CB 1.764 40.768 39.000 0.007 0.000 1.124 208 F HN 0.514 nan 8.300 nan 0.000 0.472 209 G N 0.881 109.774 108.800 0.155 0.000 2.634 209 G HA2 0.389 4.349 3.960 -0.000 0.000 0.255 209 G HA3 0.389 4.349 3.960 -0.000 0.000 0.255 209 G C -0.174 174.789 174.900 0.105 0.000 1.205 209 G CA -0.572 44.589 45.100 0.102 0.000 0.884 209 G HN 0.659 nan 8.290 nan 0.000 0.549 210 T N -1.694 112.898 114.554 0.065 0.000 2.919 210 T HA 0.306 4.656 4.350 -0.000 0.000 0.302 210 T C 0.349 175.075 174.700 0.044 0.000 1.031 210 T CA -0.430 61.701 62.100 0.052 0.000 1.127 210 T CB 0.948 69.837 68.868 0.035 0.000 0.952 210 T HN 0.566 nan 8.240 nan 0.000 0.540 211 R N 2.580 123.104 120.500 0.041 0.000 2.346 211 R HA 0.576 4.916 4.340 -0.000 0.000 0.311 211 R C -1.361 174.956 176.300 0.028 0.000 0.983 211 R CA -0.712 55.410 56.100 0.036 0.000 0.880 211 R CB 1.198 31.517 30.300 0.032 0.000 1.100 211 R HN 0.621 nan 8.270 nan 0.000 0.453 212 V N 3.741 123.671 119.914 0.026 0.000 2.513 212 V HA 0.278 4.398 4.120 -0.000 0.000 0.299 212 V C -0.246 175.868 176.094 0.032 0.000 1.035 212 V CA -0.653 61.664 62.300 0.029 0.000 0.889 212 V CB 1.707 33.546 31.823 0.026 0.000 0.988 212 V HN 0.778 nan 8.190 nan 0.000 0.440 213 E N 4.100 124.323 120.200 0.039 0.000 2.151 213 E HA 0.558 4.908 4.350 -0.000 0.000 0.275 213 E C -1.357 175.274 176.600 0.053 0.000 0.936 213 E CA -0.623 55.803 56.400 0.043 0.000 0.777 213 E CB 1.351 31.077 29.700 0.044 0.000 1.108 213 E HN 0.616 nan 8.360 nan 0.000 0.401 214 I N 4.509 125.112 120.570 0.055 0.000 2.330 214 I HA 0.331 4.501 4.170 -0.000 0.000 0.289 214 I C 0.228 176.389 176.117 0.074 0.000 1.001 214 I CA -0.620 60.723 61.300 0.071 0.000 1.193 214 I CB 1.251 39.290 38.000 0.065 0.000 1.345 214 I HN 0.243 nan 8.210 nan 0.000 0.461 215 K N 4.161 124.611 120.400 0.084 0.000 2.166 215 K HA 0.450 4.770 4.320 -0.000 0.000 0.245 215 K C -0.168 176.492 176.600 0.100 0.000 0.967 215 K CA -0.880 55.456 56.287 0.083 0.000 0.863 215 K CB 1.167 33.706 32.500 0.065 0.000 1.107 215 K HN 0.560 nan 8.250 nan 0.000 0.436 216 N N -0.301 118.456 118.700 0.096 0.000 2.727 216 N HA -0.166 4.574 4.740 -0.000 0.000 0.251 216 N C -1.276 174.314 175.510 0.133 0.000 1.040 216 N CA 0.013 53.126 53.050 0.104 0.000 0.712 216 N CB -0.980 37.562 38.487 0.092 0.000 0.912 216 N HN 0.097 nan 8.380 nan 0.000 0.545 217 V N 0.713 120.707 119.914 0.134 0.000 2.383 217 V HA 0.218 4.338 4.120 -0.000 0.000 0.275 217 V C 0.861 177.063 176.094 0.180 0.000 1.036 217 V CA -0.416 61.977 62.300 0.155 0.000 0.889 217 V CB 1.677 33.539 31.823 0.064 0.000 0.985 217 V HN 0.336 nan 8.190 nan 0.000 0.459 218 N N 2.211 121.058 118.700 0.246 0.000 2.236 218 N HA 0.105 4.845 4.740 -0.000 0.000 0.196 218 N C 0.224 175.864 175.510 0.216 0.000 1.114 218 N CA 0.188 53.368 53.050 0.216 0.000 0.859 218 N CB 0.557 39.157 38.487 0.189 0.000 0.982 218 N HN 0.817 nan 8.380 nan 0.000 0.493 219 S N -1.934 113.926 115.700 0.267 0.000 2.570 219 S HA 0.375 4.845 4.470 -0.000 0.000 0.270 219 S C 0.162 174.807 174.600 0.075 0.000 1.149 219 S CA -0.688 57.528 58.200 0.027 0.000 0.837 219 S CB 0.273 63.416 63.200 -0.096 0.000 1.124 219 S HN -0.165 nan 8.310 nan 0.000 0.465 220 F N 1.344 121.277 119.950 -0.029 0.000 2.161 220 F HA 0.066 4.593 4.527 -0.000 0.000 0.300 220 F C 2.711 178.468 175.800 -0.073 0.000 1.089 220 F CA 1.009 58.988 58.000 -0.036 0.000 1.282 220 F CB -0.697 38.275 39.000 -0.046 0.000 1.010 220 F HN 0.519 nan 8.300 nan 0.000 0.485 221 R N -0.590 119.919 120.500 0.014 0.000 2.092 221 R HA -0.103 4.237 4.340 -0.000 0.000 0.231 221 R C 2.186 178.432 176.300 -0.089 0.000 1.119 221 R CA 0.942 56.975 56.100 -0.111 0.000 0.970 221 R CB -1.107 29.032 30.300 -0.267 0.000 0.864 221 R HN 0.226 nan 8.270 nan 0.000 0.440 222 F N 0.437 120.402 119.950 0.025 0.000 2.234 222 F HA -0.148 4.379 4.527 -0.000 0.000 0.299 222 F C 2.420 178.016 175.800 -0.340 0.000 1.087 222 F CA 0.936 58.873 58.000 -0.106 0.000 1.340 222 F CB -1.208 37.829 39.000 0.060 0.000 1.031 222 F HN -0.142 nan 8.300 nan 0.000 0.500 223 V N -1.079 118.850 119.914 0.024 0.000 2.407 223 V HA -0.288 3.832 4.120 -0.000 0.000 0.248 223 V C 2.107 178.166 176.094 -0.059 0.000 1.055 223 V CA 2.115 64.394 62.300 -0.035 0.000 1.049 223 V CB -1.019 30.844 31.823 0.068 0.000 0.662 223 V HN 0.438 nan 8.190 nan 0.000 0.455 224 Q N -0.267 119.523 119.800 -0.018 0.000 2.046 224 Q HA -0.182 4.158 4.340 -0.000 0.000 0.200 224 Q C 2.420 178.411 176.000 -0.016 0.000 0.975 224 Q CA 1.757 57.554 55.803 -0.010 0.000 0.836 224 Q CB -0.054 28.689 28.738 0.007 0.000 0.896 224 Q HN 0.577 nan 8.270 nan 0.000 0.428 225 K N 0.108 120.498 120.400 -0.017 0.000 2.026 225 K HA -0.121 4.199 4.320 -0.000 0.000 0.208 225 K C 2.038 178.616 176.600 -0.037 0.000 1.048 225 K CA 1.160 57.474 56.287 0.045 0.000 0.929 225 K CB -0.519 32.117 32.500 0.226 0.000 0.713 225 K HN 0.266 nan 8.250 nan 0.000 0.439 226 A N 1.672 124.235 122.820 -0.429 0.000 1.892 226 A HA -0.171 4.149 4.320 -0.000 0.000 0.218 226 A C 2.380 179.944 177.584 -0.034 0.000 1.188 226 A CA 1.485 53.294 52.037 -0.381 0.000 0.631 226 A CB -0.767 17.839 19.000 -0.657 0.000 0.822 226 A HN 0.199 nan 8.150 nan 0.000 0.447 227 L N -1.075 120.116 121.223 -0.054 0.000 2.056 227 L HA -0.205 4.135 4.340 -0.000 0.000 0.207 227 L C 2.654 179.538 176.870 0.024 0.000 1.078 227 L CA 1.647 56.484 54.840 -0.005 0.000 0.749 227 L CB -0.584 41.466 42.059 -0.016 0.000 0.901 227 L HN 0.490 nan 8.230 nan 0.000 0.433 228 E N -0.746 119.478 120.200 0.041 0.000 2.070 228 E HA -0.317 4.033 4.350 -0.000 0.000 0.197 228 E C 2.000 178.647 176.600 0.078 0.000 1.004 228 E CA 2.084 58.519 56.400 0.058 0.000 0.805 228 E CB -0.248 29.500 29.700 0.080 0.000 0.744 228 E HN 0.460 nan 8.360 nan 0.000 0.451 229 Y N 1.307 121.615 120.300 0.015 0.000 2.133 229 Y HA -0.235 4.315 4.550 -0.000 0.000 0.287 229 Y C 2.366 178.259 175.900 -0.011 0.000 1.134 229 Y CA 1.947 60.056 58.100 0.015 0.000 1.133 229 Y CB 0.019 38.506 38.460 0.046 0.000 0.987 229 Y HN -0.049 nan 8.280 nan 0.000 0.502 230 E N 0.669 120.876 120.200 0.012 0.000 2.110 230 E HA -0.192 4.158 4.350 -0.000 0.000 0.193 230 E C 1.927 178.434 176.600 -0.155 0.000 0.988 230 E CA 1.974 58.326 56.400 -0.081 0.000 0.804 230 E CB -0.546 29.181 29.700 0.044 0.000 0.745 230 E HN 0.669 nan 8.360 nan 0.000 0.458 231 I N 0.422 120.927 120.570 -0.108 0.000 2.179 231 I HA -0.241 3.929 4.170 -0.000 0.000 0.242 231 I C 2.581 178.598 176.117 -0.166 0.000 1.088 231 I CA 1.509 62.743 61.300 -0.110 0.000 1.357 231 I CB -0.369 37.596 38.000 -0.059 0.000 1.051 231 I HN 0.241 nan 8.210 nan 0.000 0.409 232 E N 1.139 121.224 120.200 -0.192 0.000 2.058 232 E HA -0.294 4.056 4.350 -0.000 0.000 0.194 232 E C 2.415 178.841 176.600 -0.290 0.000 0.997 232 E CA 1.308 57.578 56.400 -0.216 0.000 0.801 232 E CB -0.059 29.516 29.700 -0.208 0.000 0.746 232 E HN 0.271 nan 8.360 nan 0.000 0.450 233 R N 0.346 120.577 120.500 -0.448 0.000 2.083 233 R HA -0.214 4.126 4.340 -0.000 0.000 0.237 233 R C 2.265 178.420 176.300 -0.242 0.000 1.137 233 R CA 2.035 57.886 56.100 -0.415 0.000 0.951 233 R CB -0.106 29.869 30.300 -0.541 0.000 0.851 233 R HN 0.303 nan 8.270 nan 0.000 0.434 234 Q N -0.082 119.587 119.800 -0.219 0.000 2.123 234 Q HA -0.085 4.255 4.340 -0.000 0.000 0.199 234 Q C 2.262 178.110 176.000 -0.254 0.000 0.966 234 Q CA 1.310 57.001 55.803 -0.188 0.000 0.845 234 Q CB 0.021 28.665 28.738 -0.155 0.000 0.907 234 Q HN 0.436 nan 8.270 nan 0.000 0.439 235 I N 1.180 121.571 120.570 -0.298 0.000 2.179 235 I HA -0.300 3.870 4.170 -0.000 0.000 0.242 235 I C 1.745 177.710 176.117 -0.253 0.000 1.088 235 I CA 0.804 61.865 61.300 -0.398 0.000 1.357 235 I CB -0.348 37.469 38.000 -0.304 0.000 1.051 235 I HN 0.219 nan 8.210 nan 0.000 0.409 236 N N 0.869 119.465 118.700 -0.173 0.000 2.011 236 N HA -0.188 4.552 4.740 -0.000 0.000 0.199 236 N C 1.888 177.341 175.510 -0.096 0.000 1.047 236 N CA 1.587 54.571 53.050 -0.111 0.000 0.863 236 N CB -0.999 37.425 38.487 -0.105 0.000 1.056 236 N HN 0.110 nan 8.380 nan 0.000 0.427 237 V N 0.718 120.569 119.914 -0.104 0.000 2.278 237 V HA -0.230 3.890 4.120 -0.000 0.000 0.251 237 V C 2.413 178.467 176.094 -0.066 0.000 1.062 237 V CA 1.545 63.801 62.300 -0.074 0.000 1.038 237 V CB -0.672 31.108 31.823 -0.071 0.000 0.646 237 V HN 0.128 nan 8.190 nan 0.000 0.447 238 V N -0.546 119.303 119.914 -0.109 0.000 2.358 238 V HA -0.193 3.927 4.120 -0.000 0.000 0.246 238 V C 2.378 178.468 176.094 -0.007 0.000 1.047 238 V CA 1.866 64.121 62.300 -0.076 0.000 1.035 238 V CB -0.552 31.173 31.823 -0.163 0.000 0.658 238 V HN 0.606 nan 8.190 nan 0.000 0.452 239 E N -0.274 119.918 120.200 -0.014 0.000 2.358 239 E HA -0.128 4.222 4.350 -0.000 0.000 0.195 239 E C 1.765 178.379 176.600 0.024 0.000 1.010 239 E CA 0.422 56.851 56.400 0.049 0.000 0.856 239 E CB 0.012 29.755 29.700 0.071 0.000 0.795 239 E HN 0.677 nan 8.360 nan 0.000 0.504 240 E N -0.182 120.018 120.200 0.000 0.000 2.502 240 E HA 0.010 4.360 4.350 -0.000 0.000 0.194 240 E C 0.926 177.529 176.600 0.006 0.000 1.062 240 E CA 0.267 56.667 56.400 0.001 0.000 0.867 240 E CB 0.295 29.991 29.700 -0.008 0.000 0.888 240 E HN 0.352 nan 8.360 nan 0.000 0.510 241 G N 0.965 109.772 108.800 0.011 0.000 2.176 241 G HA2 -0.248 3.712 3.960 -0.000 0.000 0.253 241 G HA3 -0.248 3.712 3.960 -0.000 0.000 0.253 241 G C 0.471 175.376 174.900 0.009 0.000 0.979 241 G CA -0.130 44.979 45.100 0.014 0.000 0.641 241 G HN 0.480 nan 8.290 nan 0.000 0.530 242 G N -0.578 108.223 108.800 0.001 0.000 2.477 242 G HA2 0.578 4.538 3.960 -0.000 0.000 0.304 242 G HA3 0.578 4.538 3.960 -0.000 0.000 0.304 242 G C -0.279 174.619 174.900 -0.004 0.000 1.175 242 G CA -0.441 44.658 45.100 -0.002 0.000 0.907 242 G HN 0.316 nan 8.290 nan 0.000 0.509 243 E N -0.314 119.886 120.200 -0.001 0.000 2.175 243 E HA 0.232 4.582 4.350 -0.000 0.000 0.278 243 E C -0.464 176.132 176.600 -0.006 0.000 0.969 243 E CA -0.642 55.758 56.400 0.000 0.000 0.796 243 E CB 2.639 32.344 29.700 0.008 0.000 1.104 243 E HN 0.240 nan 8.360 nan 0.000 0.395 244 V N 4.257 124.163 119.914 -0.012 0.000 2.508 244 V HA 0.095 4.215 4.120 -0.000 0.000 0.281 244 V C -0.202 175.893 176.094 0.001 0.000 1.041 244 V CA -0.190 62.101 62.300 -0.015 0.000 1.016 244 V CB 1.246 33.050 31.823 -0.031 0.000 0.984 244 V HN 0.418 nan 8.190 nan 0.000 0.478 245 V N 7.330 127.247 119.914 0.005 0.000 2.481 245 V HA 0.408 4.528 4.120 -0.000 0.000 0.286 245 V C 0.183 176.288 176.094 0.017 0.000 1.042 245 V CA -0.465 61.843 62.300 0.013 0.000 0.928 245 V CB 1.604 33.436 31.823 0.015 0.000 0.986 245 V HN 1.067 nan 8.190 nan 0.000 0.462 246 Q N 6.139 125.951 119.800 0.020 0.000 2.296 246 Q HA 0.351 4.691 4.340 -0.000 0.000 0.263 246 Q C -0.338 175.677 176.000 0.025 0.000 1.026 246 Q CA -0.002 55.815 55.803 0.023 0.000 0.912 246 Q CB 0.506 29.259 28.738 0.024 0.000 1.198 246 Q HN 0.963 nan 8.270 nan 0.000 0.407 247 E N 2.129 122.347 120.200 0.029 0.000 2.447 247 E HA 0.418 4.768 4.350 -0.000 0.000 0.279 247 E C -1.402 175.221 176.600 0.038 0.000 1.053 247 E CA -0.861 55.559 56.400 0.033 0.000 0.840 247 E CB 1.151 30.873 29.700 0.036 0.000 1.409 247 E HN 0.336 nan 8.360 nan 0.000 0.461 248 T N 0.947 115.525 114.554 0.041 0.000 2.875 248 T HA 0.564 4.914 4.350 -0.000 0.000 0.284 248 T C -0.285 174.452 174.700 0.061 0.000 0.995 248 T CA -0.543 61.585 62.100 0.048 0.000 1.060 248 T CB 0.927 69.819 68.868 0.041 0.000 0.967 248 T HN 0.304 nan 8.240 nan 0.000 0.476 249 R N 0.526 121.070 120.500 0.074 0.000 2.888 249 R HA 0.743 5.083 4.340 -0.000 0.000 0.264 249 R C -0.618 175.750 176.300 0.114 0.000 1.045 249 R CA -0.925 55.233 56.100 0.097 0.000 0.962 249 R CB 1.891 32.250 30.300 0.099 0.000 1.210 249 R HN 0.585 nan 8.270 nan 0.000 0.479 250 T N 0.062 114.704 114.554 0.146 0.000 2.926 250 T HA 0.517 4.867 4.350 -0.000 0.000 0.289 250 T C -1.408 173.423 174.700 0.219 0.000 1.054 250 T CA -0.629 61.571 62.100 0.167 0.000 1.015 250 T CB 1.266 70.216 68.868 0.137 0.000 1.167 250 T HN 0.403 nan 8.240 nan 0.000 0.526 251 F N 1.528 121.497 119.950 0.032 0.000 2.493 251 F HA 0.500 5.027 4.527 -0.000 0.000 0.329 251 F C -1.008 174.772 175.800 -0.033 0.000 1.126 251 F CA -0.998 56.987 58.000 -0.026 0.000 0.937 251 F CB 1.358 40.335 39.000 -0.038 0.000 1.146 251 F HN 0.372 nan 8.300 nan 0.000 0.442 252 D N 8.300 128.268 120.400 -0.721 0.000 2.359 252 D HA 0.307 4.947 4.640 -0.000 0.000 0.230 252 D C -1.909 173.665 176.300 -1.210 0.000 1.118 252 D CA -2.239 51.370 54.000 -0.653 0.000 0.844 252 D CB 2.130 42.829 40.800 -0.169 0.000 1.059 252 D HN 0.282 nan 8.370 nan 0.000 0.493 253 P HA -0.152 nan 4.420 nan 0.000 0.215 253 P C 1.335 178.403 177.300 -0.387 0.000 1.153 253 P CA 1.027 63.590 63.100 -0.896 0.000 0.853 253 P CB 0.427 31.568 31.700 -0.931 0.000 0.788 254 Q N -0.885 118.740 119.800 -0.292 0.000 2.096 254 Q HA -0.132 4.208 4.340 -0.000 0.000 0.204 254 Q C 2.115 178.047 176.000 -0.114 0.000 0.982 254 Q CA 2.369 58.090 55.803 -0.137 0.000 0.850 254 Q CB -1.527 27.143 28.738 -0.113 0.000 0.901 254 Q HN 0.401 nan 8.270 nan 0.000 0.422 255 T N -3.830 110.621 114.554 -0.172 0.000 3.037 255 T HA 0.248 4.598 4.350 -0.000 0.000 0.252 255 T C 1.322 175.931 174.700 -0.152 0.000 1.073 255 T CA 0.892 62.923 62.100 -0.116 0.000 1.091 255 T CB 0.232 69.077 68.868 -0.039 0.000 0.935 255 T HN 0.410 nan 8.240 nan 0.000 0.488 256 G N 1.488 110.140 108.800 -0.247 0.000 2.198 256 G HA2 -0.232 3.728 3.960 -0.000 0.000 0.260 256 G HA3 -0.232 3.728 3.960 -0.000 0.000 0.260 256 G C -0.176 174.591 174.900 -0.222 0.000 1.025 256 G CA 0.467 45.526 45.100 -0.067 0.000 0.769 256 G HN 0.732 nan 8.290 nan 0.000 0.507 257 K N -0.130 119.933 120.400 -0.562 0.000 2.395 257 K HA 0.692 5.012 4.320 -0.000 0.000 0.247 257 K C 0.190 176.216 176.600 -0.958 0.000 0.973 257 K CA -0.283 55.295 56.287 -1.181 0.000 0.828 257 K CB 1.743 33.538 32.500 -1.175 0.000 1.272 257 K HN 0.255 nan 8.250 nan 0.000 0.439 258 T N -1.134 112.914 114.554 -0.842 0.000 2.867 258 T HA 0.523 4.873 4.350 -0.000 0.000 0.282 258 T C -0.800 173.588 174.700 -0.520 0.000 1.000 258 T CA -0.621 61.277 62.100 -0.338 0.000 1.042 258 T CB 0.322 69.263 68.868 0.121 0.000 0.973 258 T HN 0.382 nan 8.240 nan 0.000 0.465 259 Y N 1.957 122.295 120.300 0.064 0.000 2.425 259 Y HA 0.517 5.067 4.550 -0.000 0.000 0.344 259 Y C -2.245 173.685 175.900 0.050 0.000 0.969 259 Y CA -2.622 55.504 58.100 0.042 0.000 1.052 259 Y CB 2.184 40.640 38.460 -0.008 0.000 1.215 259 Y HN 0.528 nan 8.280 nan 0.000 0.451 260 P HA 0.169 nan 4.420 nan 0.000 0.274 260 P C -0.865 176.501 177.300 0.110 0.000 1.260 260 P CA -0.171 63.003 63.100 0.124 0.000 0.793 260 P CB 1.045 32.804 31.700 0.097 0.000 1.048 261 M N 0.639 120.283 119.600 0.073 0.000 2.363 261 M HA 0.352 4.832 4.480 -0.000 0.000 0.343 261 M C 1.893 178.214 176.300 0.035 0.000 1.165 261 M CA -0.633 54.698 55.300 0.052 0.000 1.046 261 M CB 1.969 34.595 32.600 0.045 0.000 1.648 261 M HN 0.303 nan 8.290 nan 0.000 0.452 262 R N 0.123 120.636 120.500 0.021 0.000 2.120 262 R HA -0.032 4.308 4.340 -0.000 0.000 0.234 262 R C 0.323 176.630 176.300 0.013 0.000 1.123 262 R CA 1.244 57.350 56.100 0.011 0.000 0.975 262 R CB -1.064 29.234 30.300 -0.003 0.000 0.866 262 R HN 0.732 nan 8.270 nan 0.000 0.446 263 T N -0.291 114.272 114.554 0.016 0.000 2.743 263 T HA 0.307 4.657 4.350 -0.000 0.000 0.293 263 T C -0.044 174.667 174.700 0.018 0.000 0.945 263 T CA -0.950 61.160 62.100 0.016 0.000 1.030 263 T CB 1.834 70.714 68.868 0.019 0.000 0.912 263 T HN 0.105 nan 8.240 nan 0.000 0.483 264 K N 2.439 122.848 120.400 0.015 0.000 3.165 264 K HA 0.084 4.404 4.320 -0.000 0.000 0.270 264 K C 0.266 176.873 176.600 0.011 0.000 1.111 264 K CA -0.010 56.285 56.287 0.014 0.000 1.216 264 K CB 0.044 32.551 32.500 0.012 0.000 1.229 264 K HN 0.677 nan 8.250 nan 0.000 0.435 265 E N 2.020 122.228 120.200 0.013 0.000 2.003 265 E HA 0.013 4.363 4.350 -0.000 0.000 0.279 265 E C -0.383 176.218 176.600 0.002 0.000 1.132 265 E CA 0.015 56.421 56.400 0.010 0.000 0.888 265 E CB 0.543 30.254 29.700 0.018 0.000 1.056 265 E HN 0.250 nan 8.360 nan 0.000 0.399 266 E N 1.311 121.508 120.200 -0.004 0.000 2.390 266 E HA 0.222 4.572 4.350 -0.000 0.000 0.261 266 E C -0.264 176.316 176.600 -0.034 0.000 1.076 266 E CA -0.412 55.979 56.400 -0.014 0.000 0.905 266 E CB 1.047 30.739 29.700 -0.013 0.000 0.984 266 E HN 0.500 nan 8.360 nan 0.000 0.427 267 A N 3.080 125.867 122.820 -0.054 0.000 2.425 267 A HA 0.083 4.403 4.320 -0.000 0.000 0.242 267 A C -0.063 177.427 177.584 -0.156 0.000 1.077 267 A CA 0.146 52.115 52.037 -0.114 0.000 0.781 267 A CB 0.361 19.289 19.000 -0.120 0.000 1.020 267 A HN 0.622 nan 8.150 nan 0.000 0.494 268 E N 0.377 120.430 120.200 -0.245 0.000 2.195 268 E HA 0.234 4.584 4.350 -0.000 0.000 0.271 268 E C -0.946 175.402 176.600 -0.419 0.000 0.923 268 E CA -0.832 55.434 56.400 -0.223 0.000 0.790 268 E CB 1.281 30.924 29.700 -0.095 0.000 1.155 268 E HN 0.714 nan 8.360 nan 0.000 0.402 269 D N 1.384 121.636 120.400 -0.248 0.000 2.583 269 D HA -0.152 4.488 4.640 -0.000 0.000 0.232 269 D C -0.118 176.044 176.300 -0.230 0.000 1.128 269 D CA 0.847 54.723 54.000 -0.207 0.000 0.859 269 D CB 0.474 41.236 40.800 -0.064 0.000 1.169 269 D HN 0.451 nan 8.370 nan 0.000 0.481 270 Y N 2.950 123.194 120.300 -0.094 0.000 2.546 270 Y HA 0.107 4.657 4.550 -0.000 0.000 0.287 270 Y C 1.149 176.969 175.900 -0.134 0.000 1.158 270 Y CA 0.063 58.024 58.100 -0.232 0.000 1.307 270 Y CB -0.027 38.014 38.460 -0.699 0.000 1.036 270 Y HN 0.424 nan 8.280 nan 0.000 0.532 271 R N -0.929 119.619 120.500 0.080 0.000 3.322 271 R HA -0.255 4.085 4.340 -0.000 0.000 0.253 271 R C -1.106 175.392 176.300 0.330 0.000 0.987 271 R CA 0.153 56.333 56.100 0.133 0.000 0.666 271 R CB -2.688 27.586 30.300 -0.044 0.000 1.072 271 R HN 0.214 nan 8.270 nan 0.000 0.447 272 Y N 0.993 121.439 120.300 0.242 0.000 2.712 272 Y HA 0.143 4.693 4.550 -0.000 0.000 0.333 272 Y C 0.966 177.101 175.900 0.392 0.000 1.225 272 Y CA 0.948 59.162 58.100 0.190 0.000 1.499 272 Y CB 0.254 38.639 38.460 -0.124 0.000 1.288 272 Y HN 0.256 nan 8.280 nan 0.000 0.575 273 F N 1.589 121.685 119.950 0.244 0.000 2.744 273 F HA 0.615 5.142 4.527 0.000 0.000 0.311 273 F C -3.398 172.461 175.800 0.098 0.000 1.144 273 F CA -3.126 54.969 58.000 0.159 0.000 0.938 273 F CB 1.128 40.197 39.000 0.114 0.000 1.292 273 F HN 0.096 nan 8.300 nan 0.000 0.444 274 P HA 0.008 nan 4.420 nan 0.000 0.264 274 P C -0.671 176.282 177.300 -0.579 0.000 1.193 274 P CA 0.335 63.301 63.100 -0.223 0.000 0.763 274 P CB 0.446 32.117 31.700 -0.050 0.000 0.810 275 D N 5.205 125.317 120.400 -0.480 0.000 2.472 275 D HA -0.031 4.609 4.640 -0.000 0.000 0.248 275 D C -1.259 174.864 176.300 -0.296 0.000 1.174 275 D CA -1.246 52.448 54.000 -0.510 0.000 0.883 275 D CB 0.629 41.225 40.800 -0.340 0.000 1.149 275 D HN 0.264 nan 8.370 nan 0.000 0.488 276 P HA 0.057 nan 4.420 nan 0.000 0.249 276 P C 0.135 177.404 177.300 -0.052 0.000 1.229 276 P CA 0.119 63.175 63.100 -0.073 0.000 0.788 276 P CB 0.548 32.266 31.700 0.029 0.000 1.072 277 D N -0.083 120.263 120.400 -0.090 0.000 2.355 277 D HA 0.120 4.760 4.640 -0.000 0.000 0.218 277 D C 0.661 176.923 176.300 -0.063 0.000 1.004 277 D CA 0.622 54.581 54.000 -0.068 0.000 0.880 277 D CB 0.442 41.190 40.800 -0.086 0.000 0.911 277 D HN 0.284 nan 8.370 nan 0.000 0.528 278 L N 0.623 121.812 121.223 -0.058 0.000 2.408 278 L HA 0.321 4.661 4.340 -0.000 0.000 0.268 278 L C -0.034 176.861 176.870 0.042 0.000 0.986 278 L CA -1.224 53.612 54.840 -0.007 0.000 0.820 278 L CB 2.563 44.614 42.059 -0.012 0.000 1.303 278 L HN -0.262 nan 8.230 nan 0.000 0.411 279 V N 0.083 120.037 119.914 0.067 0.000 2.953 279 V HA 0.474 4.594 4.120 -0.000 0.000 0.304 279 V C -2.174 173.987 176.094 0.113 0.000 1.073 279 V CA -1.836 60.507 62.300 0.072 0.000 1.064 279 V CB -0.240 31.619 31.823 0.060 0.000 1.047 279 V HN 0.564 nan 8.190 nan 0.000 0.478 280 P HA 0.093 nan 4.420 nan 0.000 0.264 280 P C -0.560 176.798 177.300 0.097 0.000 1.179 280 P CA -0.096 63.045 63.100 0.069 0.000 0.763 280 P CB 0.119 31.840 31.700 0.035 0.000 0.806 281 L N 4.158 125.427 121.223 0.077 0.000 2.407 281 L HA 0.157 4.497 4.340 -0.000 0.000 0.282 281 L C 0.045 176.968 176.870 0.089 0.000 1.110 281 L CA 0.494 55.402 54.840 0.112 0.000 0.863 281 L CB -0.661 41.419 42.059 0.036 0.000 1.207 281 L HN 0.186 nan 8.230 nan 0.000 0.454 282 K N 4.098 124.567 120.400 0.115 0.000 2.293 282 K HA 0.537 4.857 4.320 -0.000 0.000 0.267 282 K C -1.244 175.448 176.600 0.153 0.000 1.010 282 K CA -0.586 55.764 56.287 0.105 0.000 0.875 282 K CB 1.595 34.143 32.500 0.079 0.000 1.106 282 K HN 0.407 nan 8.250 nan 0.000 0.450 283 V N 5.101 125.112 119.914 0.161 0.000 2.313 283 V HA 0.180 4.300 4.120 -0.000 0.000 0.278 283 V C 0.045 176.259 176.094 0.200 0.000 1.017 283 V CA -1.045 61.399 62.300 0.241 0.000 0.823 283 V CB 0.962 32.888 31.823 0.173 0.000 1.010 283 V HN 0.618 nan 8.190 nan 0.000 0.443 284 K N 2.992 123.533 120.400 0.235 0.000 2.489 284 K HA 0.007 4.327 4.320 -0.000 0.000 0.278 284 K C 1.244 177.948 176.600 0.172 0.000 1.000 284 K CA 0.117 56.506 56.287 0.171 0.000 1.012 284 K CB 0.998 33.587 32.500 0.148 0.000 0.903 284 K HN 0.579 nan 8.250 nan 0.000 0.485 285 K N 2.714 123.179 120.400 0.108 0.000 2.074 285 K HA -0.238 4.082 4.320 -0.000 0.000 0.209 285 K C 1.165 177.825 176.600 0.101 0.000 1.048 285 K CA 1.947 58.283 56.287 0.081 0.000 0.926 285 K CB 0.125 32.657 32.500 0.054 0.000 0.713 285 K HN 0.428 nan 8.250 nan 0.000 0.444 286 E N -0.763 119.505 120.200 0.115 0.000 2.209 286 E HA -0.200 4.150 4.350 -0.000 0.000 0.196 286 E C 1.315 178.039 176.600 0.206 0.000 0.993 286 E CA 1.186 57.659 56.400 0.122 0.000 0.819 286 E CB -0.199 29.556 29.700 0.091 0.000 0.745 286 E HN 0.470 nan 8.360 nan 0.000 0.477 287 W N 0.439 121.746 121.300 0.012 0.000 2.443 287 W HA 0.094 4.754 4.660 -0.000 0.000 0.296 287 W C 1.611 178.138 176.519 0.012 0.000 1.202 287 W CA 0.502 57.856 57.345 0.016 0.000 1.312 287 W CB -0.451 29.022 29.460 0.021 0.000 1.120 287 W HN 0.001 nan 8.180 nan 0.000 0.536 288 I N 0.725 121.340 120.570 0.074 0.000 2.127 288 I HA -0.352 3.818 4.170 -0.000 0.000 0.241 288 I C 2.282 178.380 176.117 -0.032 0.000 1.075 288 I CA 2.041 63.300 61.300 -0.068 0.000 1.334 288 I CB -0.699 37.274 38.000 -0.045 0.000 1.040 288 I HN -0.058 nan 8.210 nan 0.000 0.405 289 E N 0.262 120.477 120.200 0.026 0.000 2.085 289 E HA -0.306 4.044 4.350 -0.000 0.000 0.194 289 E C 2.142 178.764 176.600 0.036 0.000 0.994 289 E CA 1.566 57.982 56.400 0.027 0.000 0.801 289 E CB -0.160 29.566 29.700 0.043 0.000 0.743 289 E HN 0.494 nan 8.360 nan 0.000 0.453 290 E N 0.532 120.780 120.200 0.080 0.000 2.150 290 E HA -0.174 4.176 4.350 -0.000 0.000 0.193 290 E C 2.006 178.641 176.600 0.059 0.000 0.985 290 E CA 0.687 57.148 56.400 0.100 0.000 0.814 290 E CB 0.052 29.869 29.700 0.196 0.000 0.752 290 E HN 0.260 nan 8.360 nan 0.000 0.466 291 I N 0.687 121.255 120.570 -0.004 0.000 2.286 291 I HA -0.197 3.973 4.170 -0.000 0.000 0.245 291 I C 2.639 178.722 176.117 -0.057 0.000 1.104 291 I CA 0.772 62.032 61.300 -0.066 0.000 1.397 291 I CB -0.129 37.745 38.000 -0.211 0.000 1.072 291 I HN 0.040 nan 8.210 nan 0.000 0.417 292 K N 1.393 121.759 120.400 -0.056 0.000 2.009 292 K HA -0.284 4.036 4.320 -0.000 0.000 0.210 292 K C 2.237 178.823 176.600 -0.024 0.000 1.049 292 K CA 1.879 58.137 56.287 -0.047 0.000 0.929 292 K CB -0.088 32.388 32.500 -0.041 0.000 0.714 292 K HN 0.125 nan 8.250 nan 0.000 0.440 293 K N 0.150 120.547 120.400 -0.005 0.000 2.057 293 K HA -0.123 4.197 4.320 -0.000 0.000 0.207 293 K C 0.884 177.489 176.600 0.008 0.000 1.049 293 K CA 1.630 57.921 56.287 0.006 0.000 0.931 293 K CB 0.026 32.538 32.500 0.019 0.000 0.714 293 K HN 0.123 nan 8.250 nan 0.000 0.440 294 N N 0.933 119.639 118.700 0.011 0.000 2.276 294 N HA 0.007 4.747 4.740 -0.000 0.000 0.212 294 N C -0.233 175.278 175.510 0.002 0.000 1.127 294 N CA -0.061 52.998 53.050 0.015 0.000 0.834 294 N CB 0.195 38.701 38.487 0.031 0.000 1.014 294 N HN 0.226 nan 8.380 nan 0.000 0.491 295 M N 2.146 121.739 119.600 -0.012 0.000 2.269 295 M HA 0.146 4.626 4.480 -0.000 0.000 0.350 295 M C -2.209 174.086 176.300 -0.008 0.000 1.429 295 M CA -1.071 54.214 55.300 -0.025 0.000 1.063 295 M CB 0.267 32.842 32.600 -0.041 0.000 1.841 295 M HN -0.114 nan 8.290 nan 0.000 0.455 296 P HA -0.008 nan 4.420 nan 0.000 0.269 296 P C -1.126 176.200 177.300 0.043 0.000 1.217 296 P CA -0.163 62.949 63.100 0.020 0.000 0.783 296 P CB 0.316 32.025 31.700 0.015 0.000 0.898 297 E N 1.111 121.360 120.200 0.080 0.000 2.384 297 E HA 0.136 4.486 4.350 -0.000 0.000 0.266 297 E C -0.643 176.041 176.600 0.140 0.000 1.012 297 E CA -0.199 56.258 56.400 0.095 0.000 0.901 297 E CB 0.213 29.984 29.700 0.118 0.000 0.967 297 E HN 0.282 nan 8.360 nan 0.000 0.435 298 L N 5.274 126.499 121.223 0.005 0.000 2.358 298 L HA 0.304 4.644 4.340 -0.000 0.000 0.268 298 L C -1.709 174.941 176.870 -0.367 0.000 1.032 298 L CA -2.160 52.591 54.840 -0.149 0.000 0.805 298 L CB 1.100 43.080 42.059 -0.133 0.000 1.253 298 L HN 0.491 nan 8.230 nan 0.000 0.452 299 P HA -0.153 nan 4.420 nan 0.000 0.215 299 P C 0.609 177.751 177.300 -0.264 0.000 1.157 299 P CA 1.209 63.880 63.100 -0.714 0.000 0.868 299 P CB 0.204 31.512 31.700 -0.653 0.000 0.788 300 D N -0.872 119.412 120.400 -0.195 0.000 2.144 300 D HA -0.153 4.487 4.640 -0.000 0.000 0.199 300 D C 2.092 178.405 176.300 0.023 0.000 0.984 300 D CA 1.046 54.996 54.000 -0.083 0.000 0.834 300 D CB -0.462 40.286 40.800 -0.087 0.000 0.955 300 D HN 0.327 nan 8.370 nan 0.000 0.465 301 Q N 0.296 120.089 119.800 -0.012 0.000 1.993 301 Q HA -0.114 4.226 4.340 -0.000 0.000 0.202 301 Q C 2.339 178.375 176.000 0.061 0.000 0.984 301 Q CA 0.938 56.756 55.803 0.024 0.000 0.837 301 Q CB -0.059 28.681 28.738 0.004 0.000 0.902 301 Q HN 0.159 nan 8.270 nan 0.000 0.423 302 R N 0.065 120.598 120.500 0.054 0.000 2.091 302 R HA -0.195 4.145 4.340 -0.000 0.000 0.238 302 R C 2.166 178.546 176.300 0.134 0.000 1.136 302 R CA 1.425 57.590 56.100 0.109 0.000 0.959 302 R CB -0.358 30.034 30.300 0.153 0.000 0.856 302 R HN 0.222 nan 8.270 nan 0.000 0.437 303 F N 1.991 121.930 119.950 -0.018 0.000 2.091 303 F HA -0.258 4.269 4.527 0.000 0.000 0.299 303 F C 2.219 178.021 175.800 0.004 0.000 1.103 303 F CA 1.843 59.835 58.000 -0.013 0.000 1.228 303 F CB -0.031 38.944 39.000 -0.042 0.000 0.984 303 F HN 0.053 nan 8.300 nan 0.000 0.477 304 E N 0.016 120.300 120.200 0.139 0.000 2.152 304 E HA -0.197 4.153 4.350 -0.000 0.000 0.192 304 E C 2.315 178.901 176.600 -0.025 0.000 0.983 304 E CA 0.878 57.299 56.400 0.034 0.000 0.818 304 E CB -0.508 29.244 29.700 0.088 0.000 0.758 304 E HN 0.476 nan 8.360 nan 0.000 0.467 305 R N 0.834 121.338 120.500 0.007 0.000 2.073 305 R HA -0.066 4.274 4.340 -0.000 0.000 0.234 305 R C 2.487 178.776 176.300 -0.018 0.000 1.134 305 R CA 0.902 56.998 56.100 -0.006 0.000 0.952 305 R CB -0.171 30.145 30.300 0.026 0.000 0.850 305 R HN 0.116 nan 8.270 nan 0.000 0.433 306 L N 0.396 121.640 121.223 0.034 0.000 2.056 306 L HA -0.162 4.178 4.340 -0.000 0.000 0.207 306 L C 2.522 179.414 176.870 0.036 0.000 1.078 306 L CA 1.194 56.122 54.840 0.147 0.000 0.749 306 L CB -0.488 41.651 42.059 0.134 0.000 0.901 306 L HN 0.266 nan 8.230 nan 0.000 0.433 307 I N -0.119 120.374 120.570 -0.128 0.000 2.194 307 I HA -0.349 3.821 4.170 -0.000 0.000 0.246 307 I C 2.669 178.745 176.117 -0.068 0.000 1.093 307 I CA 1.548 62.763 61.300 -0.142 0.000 1.355 307 I CB -0.251 37.610 38.000 -0.231 0.000 1.046 307 I HN 0.289 nan 8.210 nan 0.000 0.413 308 K N 0.454 120.811 120.400 -0.071 0.000 1.992 308 K HA -0.156 4.164 4.320 -0.000 0.000 0.210 308 K C 2.051 178.582 176.600 -0.115 0.000 1.036 308 K CA 1.120 57.364 56.287 -0.073 0.000 0.946 308 K CB -0.272 32.187 32.500 -0.069 0.000 0.742 308 K HN 0.105 nan 8.250 nan 0.000 0.442 309 E N -0.569 119.504 120.200 -0.213 0.000 2.233 309 E HA -0.217 4.133 4.350 -0.000 0.000 0.199 309 E C 0.649 176.918 176.600 -0.553 0.000 1.004 309 E CA 1.622 57.741 56.400 -0.469 0.000 0.819 309 E CB 0.128 29.381 29.700 -0.745 0.000 0.738 309 E HN 0.327 nan 8.360 nan 0.000 0.478 310 Y N -2.702 117.621 120.300 0.038 0.000 2.610 310 Y HA 0.312 4.862 4.550 -0.000 0.000 0.254 310 Y C 1.128 177.052 175.900 0.041 0.000 1.110 310 Y CA 0.075 58.221 58.100 0.077 0.000 1.238 310 Y CB 1.128 39.709 38.460 0.202 0.000 1.322 310 Y HN 0.039 nan 8.280 nan 0.000 0.547 311 G N 1.546 110.410 108.800 0.107 0.000 2.203 311 G HA2 -0.301 3.659 3.960 -0.000 0.000 0.263 311 G HA3 -0.301 3.659 3.960 -0.000 0.000 0.263 311 G C 0.152 175.075 174.900 0.037 0.000 1.012 311 G CA 0.335 45.466 45.100 0.050 0.000 0.749 311 G HN 0.279 nan 8.290 nan 0.000 0.512 312 L N 0.830 122.068 121.223 0.026 0.000 2.467 312 L HA 0.395 4.735 4.340 -0.000 0.000 0.270 312 L C 1.607 178.437 176.870 -0.067 0.000 1.205 312 L CA 0.166 54.980 54.840 -0.043 0.000 0.828 312 L CB 0.497 42.479 42.059 -0.129 0.000 1.101 312 L HN 0.482 nan 8.230 nan 0.000 0.479 313 S N 0.288 115.966 115.700 -0.038 0.000 2.624 313 S HA 0.086 4.556 4.470 -0.000 0.000 0.263 313 S C 0.739 175.307 174.600 -0.053 0.000 1.287 313 S CA -0.639 57.557 58.200 -0.007 0.000 0.990 313 S CB 1.020 64.267 63.200 0.078 0.000 0.950 313 S HN 0.665 nan 8.310 nan 0.000 0.561 314 E N -0.184 120.020 120.200 0.006 0.000 2.265 314 E HA -0.147 4.203 4.350 -0.000 0.000 0.196 314 E C 1.469 178.180 176.600 0.185 0.000 0.996 314 E CA 1.208 57.651 56.400 0.072 0.000 0.832 314 E CB -0.295 29.547 29.700 0.236 0.000 0.756 314 E HN 0.849 nan 8.360 nan 0.000 0.491 315 Y N 1.759 122.086 120.300 0.044 0.000 2.200 315 Y HA -0.165 4.385 4.550 -0.000 0.000 0.290 315 Y C 1.866 177.773 175.900 0.012 0.000 1.137 315 Y CA 1.581 59.705 58.100 0.039 0.000 1.163 315 Y CB 0.159 38.624 38.460 0.009 0.000 0.988 315 Y HN -0.066 nan 8.280 nan 0.000 0.518 316 E N 0.563 120.606 120.200 -0.262 0.000 2.028 316 E HA -0.135 4.215 4.350 -0.000 0.000 0.190 316 E C 2.448 178.861 176.600 -0.312 0.000 0.984 316 E CA 0.932 57.097 56.400 -0.390 0.000 0.800 316 E CB -0.401 29.173 29.700 -0.210 0.000 0.758 316 E HN 0.557 nan 8.360 nan 0.000 0.448 317 A N 1.414 124.081 122.820 -0.254 0.000 1.892 317 A HA -0.194 4.126 4.320 -0.000 0.000 0.218 317 A C 2.445 180.037 177.584 0.014 0.000 1.188 317 A CA 2.023 53.912 52.037 -0.247 0.000 0.631 317 A CB -1.503 17.145 19.000 -0.587 0.000 0.822 317 A HN 0.379 nan 8.150 nan 0.000 0.447 318 G N -0.014 108.915 108.800 0.215 0.000 2.476 318 G HA2 -0.264 3.696 3.960 -0.000 0.000 0.218 318 G HA3 -0.264 3.696 3.960 -0.000 0.000 0.218 318 G C 1.538 176.474 174.900 0.060 0.000 1.164 318 G CA 1.213 46.483 45.100 0.283 0.000 0.768 318 G HN 0.503 nan 8.290 nan 0.000 0.560 319 I N 0.471 120.987 120.570 -0.091 0.000 2.208 319 I HA -0.141 4.029 4.170 -0.000 0.000 0.245 319 I C 2.607 178.700 176.117 -0.040 0.000 1.097 319 I CA 0.791 62.024 61.300 -0.111 0.000 1.363 319 I CB -0.159 37.682 38.000 -0.266 0.000 1.051 319 I HN 0.140 nan 8.210 nan 0.000 0.413 320 L N -0.361 120.821 121.223 -0.068 0.000 2.217 320 L HA -0.096 4.244 4.340 -0.000 0.000 0.211 320 L C 2.335 179.261 176.870 0.092 0.000 1.107 320 L CA 0.867 55.686 54.840 -0.034 0.000 0.783 320 L CB -0.424 41.556 42.059 -0.132 0.000 0.919 320 L HN 0.147 nan 8.230 nan 0.000 0.442 321 V N -0.680 119.321 119.914 0.144 0.000 2.685 321 V HA -0.057 4.063 4.120 -0.000 0.000 0.244 321 V C 2.054 178.291 176.094 0.239 0.000 1.054 321 V CA 0.784 63.229 62.300 0.241 0.000 1.076 321 V CB -0.381 31.577 31.823 0.226 0.000 0.725 321 V HN 0.394 nan 8.190 nan 0.000 0.467 322 N N -0.071 118.717 118.700 0.146 0.000 2.223 322 N HA -0.122 4.618 4.740 -0.000 0.000 0.185 322 N C 0.863 176.481 175.510 0.180 0.000 1.016 322 N CA 1.091 54.210 53.050 0.116 0.000 0.863 322 N CB -0.249 38.268 38.487 0.049 0.000 0.983 322 N HN 0.460 nan 8.380 nan 0.000 0.429 323 H N 0.878 119.989 119.070 0.068 0.000 2.725 323 H HA 0.233 4.789 4.556 -0.000 0.000 0.283 323 H C 0.760 176.119 175.328 0.051 0.000 1.110 323 H CA -0.504 55.572 56.048 0.047 0.000 1.289 323 H CB 0.552 30.319 29.762 0.008 0.000 1.400 323 H HN -0.070 nan 8.280 nan 0.000 0.493 324 K N 2.906 123.446 120.400 0.232 0.000 2.074 324 K HA -0.187 4.133 4.320 -0.000 0.000 0.209 324 K C 0.776 177.345 176.600 -0.051 0.000 1.048 324 K CA 1.945 58.230 56.287 -0.003 0.000 0.926 324 K CB 0.399 32.639 32.500 -0.434 0.000 0.713 324 K HN 0.463 nan 8.250 nan 0.000 0.444 325 E N 0.049 120.209 120.200 -0.067 0.000 2.268 325 E HA -0.110 4.240 4.350 -0.000 0.000 0.195 325 E C 1.767 178.281 176.600 -0.143 0.000 0.995 325 E CA 0.747 57.081 56.400 -0.110 0.000 0.836 325 E CB 0.116 29.761 29.700 -0.092 0.000 0.763 325 E HN 0.100 nan 8.360 nan 0.000 0.491 326 V N 0.210 119.953 119.914 -0.285 0.000 2.323 326 V HA -0.131 3.989 4.120 -0.000 0.000 0.244 326 V C 2.281 178.398 176.094 0.038 0.000 1.041 326 V CA 1.921 64.114 62.300 -0.179 0.000 1.025 326 V CB -1.029 30.636 31.823 -0.263 0.000 0.656 326 V HN 0.430 nan 8.190 nan 0.000 0.451 327 G N -0.102 108.725 108.800 0.046 0.000 2.440 327 G HA2 -0.279 3.681 3.960 -0.000 0.000 0.218 327 G HA3 -0.279 3.681 3.960 -0.000 0.000 0.218 327 G C 1.225 176.232 174.900 0.178 0.000 1.154 327 G CA 1.172 46.351 45.100 0.132 0.000 0.767 327 G HN 0.497 nan 8.290 nan 0.000 0.552 328 D N -0.155 120.308 120.400 0.104 0.000 2.117 328 D HA -0.099 4.541 4.640 -0.000 0.000 0.197 328 D C 1.953 178.304 176.300 0.086 0.000 0.987 328 D CA 0.501 54.544 54.000 0.072 0.000 0.829 328 D CB -0.402 40.410 40.800 0.019 0.000 0.961 328 D HN 0.338 nan 8.370 nan 0.000 0.460 329 F N 0.461 120.398 119.950 -0.022 0.000 2.075 329 F HA -0.214 4.313 4.527 -0.000 0.000 0.297 329 F C 2.195 177.990 175.800 -0.009 0.000 1.113 329 F CA 1.151 59.131 58.000 -0.033 0.000 1.218 329 F CB -0.357 38.618 39.000 -0.041 0.000 0.984 329 F HN -0.103 nan 8.300 nan 0.000 0.472 330 F N 1.561 121.635 119.950 0.208 0.000 2.065 330 F HA -0.264 4.263 4.527 -0.000 0.000 0.298 330 F C 2.328 178.066 175.800 -0.104 0.000 1.112 330 F CA 2.420 60.453 58.000 0.054 0.000 1.212 330 F CB -0.800 38.185 39.000 -0.025 0.000 0.975 330 F HN 0.083 nan 8.300 nan 0.000 0.476 331 E N -0.399 119.696 120.200 -0.174 0.000 2.150 331 E HA -0.238 4.112 4.350 -0.000 0.000 0.193 331 E C 2.140 178.597 176.600 -0.240 0.000 0.985 331 E CA 1.130 57.351 56.400 -0.298 0.000 0.814 331 E CB -0.296 29.404 29.700 -0.001 0.000 0.752 331 E HN 0.610 nan 8.360 nan 0.000 0.466 332 E N 0.233 120.312 120.200 -0.201 0.000 2.208 332 E HA -0.117 4.233 4.350 -0.000 0.000 0.193 332 E C 1.851 178.313 176.600 -0.230 0.000 0.988 332 E CA 0.642 56.931 56.400 -0.184 0.000 0.828 332 E CB 0.112 29.666 29.700 -0.243 0.000 0.763 332 E HN 0.188 nan 8.360 nan 0.000 0.478 333 A N 0.517 123.120 122.820 -0.362 0.000 1.874 333 A HA -0.062 4.258 4.320 -0.000 0.000 0.214 333 A C 2.238 179.698 177.584 -0.207 0.000 1.189 333 A CA 0.782 52.627 52.037 -0.320 0.000 0.615 333 A CB -0.655 18.183 19.000 -0.270 0.000 0.830 333 A HN 0.228 nan 8.150 nan 0.000 0.443 334 V N -0.114 119.549 119.914 -0.419 0.000 3.026 334 V HA -0.186 3.934 4.120 -0.000 0.000 0.265 334 V C 2.428 178.423 176.094 -0.165 0.000 1.121 334 V CA 2.224 64.282 62.300 -0.402 0.000 1.142 334 V CB -0.834 30.497 31.823 -0.820 0.000 0.730 334 V HN 0.601 nan 8.190 nan 0.000 0.503 335 R N -1.257 119.196 120.500 -0.078 0.000 2.100 335 R HA -0.051 4.289 4.340 -0.000 0.000 0.220 335 R C 2.177 178.479 176.300 0.005 0.000 1.091 335 R CA 1.366 57.459 56.100 -0.012 0.000 0.986 335 R CB -0.198 30.106 30.300 0.007 0.000 0.888 335 R HN 0.645 nan 8.270 nan 0.000 0.444 336 H N -2.160 116.874 119.070 -0.060 0.000 2.428 336 H HA 0.064 4.620 4.556 -0.000 0.000 0.296 336 H C -0.580 174.819 175.328 0.119 0.000 1.062 336 H CA 1.030 57.078 56.048 -0.001 0.000 1.350 336 H CB 0.223 29.964 29.762 -0.035 0.000 1.403 336 H HN 0.014 nan 8.280 nan 0.000 0.533 337 F N 0.295 120.261 119.950 0.027 0.000 2.730 337 F HA 0.279 4.806 4.527 0.000 0.000 0.335 337 F C -0.435 175.352 175.800 -0.022 0.000 1.212 337 F CA -1.408 56.589 58.000 -0.004 0.000 1.016 337 F CB 1.066 40.064 39.000 -0.005 0.000 1.290 337 F HN -0.337 nan 8.300 nan 0.000 0.495 338 K N 3.640 123.826 120.400 -0.358 0.000 3.245 338 K HA 0.020 4.340 4.320 -0.000 0.000 0.285 338 K C -0.239 176.069 176.600 -0.487 0.000 1.156 338 K CA 0.245 56.338 56.287 -0.324 0.000 1.162 338 K CB -0.208 32.195 32.500 -0.161 0.000 1.365 338 K HN 0.475 nan 8.250 nan 0.000 0.316 339 E N 1.092 120.906 120.200 -0.644 0.000 2.546 339 E HA 0.142 4.492 4.350 -0.000 0.000 0.227 339 E C -2.058 174.468 176.600 -0.122 0.000 1.009 339 E CA -2.518 53.628 56.400 -0.424 0.000 0.813 339 E CB 0.866 30.215 29.700 -0.584 0.000 1.269 339 E HN 0.085 nan 8.360 nan 0.000 0.432 340 P HA -0.207 nan 4.420 nan 0.000 0.215 340 P C 1.158 178.599 177.300 0.234 0.000 1.157 340 P CA 1.083 64.272 63.100 0.148 0.000 0.863 340 P CB 0.365 32.225 31.700 0.267 0.000 0.787 341 K N -0.112 120.378 120.400 0.151 0.000 2.063 341 K HA -0.102 4.218 4.320 -0.000 0.000 0.208 341 K C 2.353 179.053 176.600 0.167 0.000 1.048 341 K CA 1.918 58.287 56.287 0.136 0.000 0.928 341 K CB -0.973 31.585 32.500 0.097 0.000 0.713 341 K HN 0.113 nan 8.250 nan 0.000 0.442 342 G N 1.220 110.128 108.800 0.179 0.000 2.402 342 G HA2 -0.200 3.760 3.960 -0.000 0.000 0.216 342 G HA3 -0.200 3.760 3.960 -0.000 0.000 0.216 342 G C 1.556 176.661 174.900 0.342 0.000 1.162 342 G CA 0.562 45.821 45.100 0.264 0.000 0.777 342 G HN 0.223 nan 8.290 nan 0.000 0.539 343 I N 1.103 121.846 120.570 0.289 0.000 2.252 343 I HA -0.163 4.007 4.170 -0.000 0.000 0.245 343 I C 2.915 179.265 176.117 0.388 0.000 1.102 343 I CA 1.024 62.524 61.300 0.334 0.000 1.385 343 I CB -0.291 37.841 38.000 0.221 0.000 1.064 343 I HN 0.143 nan 8.210 nan 0.000 0.414 344 V N -0.239 119.884 119.914 0.348 0.000 2.343 344 V HA -0.242 3.878 4.120 -0.000 0.000 0.247 344 V C 2.147 178.299 176.094 0.096 0.000 1.051 344 V CA 1.897 64.260 62.300 0.106 0.000 1.036 344 V CB -1.256 30.486 31.823 -0.134 0.000 0.654 344 V HN 0.375 nan 8.190 nan 0.000 0.451 345 N N 0.217 118.995 118.700 0.129 0.000 2.018 345 N HA -0.203 4.537 4.740 -0.000 0.000 0.196 345 N C 1.444 176.955 175.510 0.003 0.000 1.043 345 N CA 2.370 55.451 53.050 0.051 0.000 0.856 345 N CB -0.707 37.809 38.487 0.049 0.000 1.042 345 N HN 0.702 nan 8.380 nan 0.000 0.423 346 W N 0.917 122.263 121.300 0.076 0.000 2.425 346 W HA 0.067 4.727 4.660 0.000 0.000 0.277 346 W C 2.168 178.719 176.519 0.053 0.000 1.231 346 W CA 0.001 57.387 57.345 0.068 0.000 1.248 346 W CB -0.573 28.938 29.460 0.086 0.000 1.117 346 W HN 0.090 nan 8.180 nan 0.000 0.568 347 L N 0.139 121.511 121.223 0.248 0.000 2.023 347 L HA -0.096 4.244 4.340 -0.000 0.000 0.205 347 L C 2.019 178.902 176.870 0.020 0.000 1.073 347 L CA 1.995 56.910 54.840 0.124 0.000 0.745 347 L CB -0.807 41.342 42.059 0.150 0.000 0.900 347 L HN -0.053 nan 8.230 nan 0.000 0.435 348 I N -0.227 120.345 120.570 0.002 0.000 2.233 348 I HA -0.203 3.967 4.170 -0.000 0.000 0.243 348 I C 1.755 177.859 176.117 -0.021 0.000 1.093 348 I CA 1.030 62.313 61.300 -0.028 0.000 1.380 348 I CB -0.454 37.525 38.000 -0.036 0.000 1.067 348 I HN 0.335 nan 8.210 nan 0.000 0.413 349 N N 0.070 118.742 118.700 -0.046 0.000 2.446 349 N HA -0.053 4.687 4.740 -0.000 0.000 0.179 349 N C 0.903 176.347 175.510 -0.110 0.000 1.054 349 N CA 0.916 53.911 53.050 -0.092 0.000 0.905 349 N CB 0.190 38.579 38.487 -0.164 0.000 0.973 349 N HN 0.471 nan 8.380 nan 0.000 0.448 350 D N -0.405 119.954 120.400 -0.070 0.000 3.203 350 D HA 0.014 4.654 4.640 -0.000 0.000 0.249 350 D C 1.755 178.078 176.300 0.038 0.000 1.522 350 D CA -0.217 53.775 54.000 -0.014 0.000 1.248 350 D CB 0.035 40.873 40.800 0.063 0.000 1.126 350 D HN -0.068 nan 8.370 nan 0.000 0.326 351 L N 1.728 122.991 121.223 0.066 0.000 2.017 351 L HA -0.105 4.235 4.340 -0.000 0.000 0.208 351 L C 2.213 179.058 176.870 -0.041 0.000 1.073 351 L CA 1.420 56.272 54.840 0.021 0.000 0.745 351 L CB -0.686 41.370 42.059 -0.005 0.000 0.894 351 L HN -0.029 nan 8.230 nan 0.000 0.432 352 L N 0.183 121.368 121.223 -0.063 0.000 2.013 352 L HA -0.164 4.176 4.340 -0.000 0.000 0.212 352 L C 2.549 179.400 176.870 -0.033 0.000 1.073 352 L CA 2.207 57.005 54.840 -0.069 0.000 0.753 352 L CB -1.814 40.207 42.059 -0.063 0.000 0.890 352 L HN 0.427 nan 8.230 nan 0.000 0.432 353 G N -1.547 107.241 108.800 -0.019 0.000 2.422 353 G HA2 -0.176 3.784 3.960 -0.000 0.000 0.218 353 G HA3 -0.176 3.784 3.960 -0.000 0.000 0.218 353 G C 1.689 176.587 174.900 -0.004 0.000 1.140 353 G CA 0.569 45.663 45.100 -0.008 0.000 0.775 353 G HN 0.341 nan 8.290 nan 0.000 0.545 354 L N -0.204 121.019 121.223 -0.000 0.000 2.093 354 L HA 0.073 4.413 4.340 -0.000 0.000 0.208 354 L C 2.851 179.722 176.870 0.002 0.000 1.085 354 L CA 0.429 55.274 54.840 0.008 0.000 0.755 354 L CB -0.260 41.813 42.059 0.024 0.000 0.904 354 L HN 0.197 nan 8.230 nan 0.000 0.435 355 L N -0.874 120.342 121.223 -0.012 0.000 2.056 355 L HA -0.174 4.166 4.340 -0.000 0.000 0.207 355 L C 2.813 179.679 176.870 -0.007 0.000 1.078 355 L CA 1.083 55.913 54.840 -0.016 0.000 0.749 355 L CB -0.469 41.563 42.059 -0.045 0.000 0.901 355 L HN 0.191 nan 8.230 nan 0.000 0.433 356 R N 0.137 120.633 120.500 -0.006 0.000 2.083 356 R HA -0.189 4.151 4.340 -0.000 0.000 0.237 356 R C 1.900 178.202 176.300 0.003 0.000 1.137 356 R CA 1.887 57.987 56.100 0.001 0.000 0.951 356 R CB -0.418 29.884 30.300 0.003 0.000 0.851 356 R HN 0.364 nan 8.270 nan 0.000 0.434 357 D N 0.289 120.691 120.400 0.003 0.000 2.117 357 D HA -0.119 4.521 4.640 -0.000 0.000 0.197 357 D C 1.571 177.875 176.300 0.007 0.000 0.987 357 D CA 1.176 55.179 54.000 0.005 0.000 0.829 357 D CB -0.066 40.737 40.800 0.006 0.000 0.961 357 D HN 0.075 nan 8.370 nan 0.000 0.460 358 K N -0.268 120.136 120.400 0.007 0.000 2.504 358 K HA 0.054 4.374 4.320 -0.000 0.000 0.195 358 K C 0.990 177.595 176.600 0.008 0.000 1.036 358 K CA 0.675 56.967 56.287 0.009 0.000 0.984 358 K CB 0.213 32.719 32.500 0.010 0.000 0.788 358 K HN 0.227 nan 8.250 nan 0.000 0.488 359 G N 2.776 111.580 108.800 0.006 0.000 2.198 359 G HA2 -0.264 3.696 3.960 -0.000 0.000 0.257 359 G HA3 -0.264 3.696 3.960 -0.000 0.000 0.257 359 G C -0.017 174.888 174.900 0.008 0.000 1.042 359 G CA 0.504 45.608 45.100 0.006 0.000 0.791 359 G HN 0.471 nan 8.290 nan 0.000 0.502 360 I N 0.197 120.771 120.570 0.007 0.000 2.474 360 I HA 0.745 4.915 4.170 -0.000 0.000 0.294 360 I C 0.529 176.651 176.117 0.008 0.000 1.005 360 I CA -0.401 60.904 61.300 0.008 0.000 1.113 360 I CB 1.744 39.750 38.000 0.010 0.000 1.289 360 I HN 0.302 nan 8.210 nan 0.000 0.436 361 S N 5.706 121.416 115.700 0.016 0.000 2.585 361 S HA 0.160 4.630 4.470 -0.000 0.000 0.273 361 S C 0.912 175.511 174.600 -0.002 0.000 1.339 361 S CA -0.610 57.608 58.200 0.029 0.000 1.028 361 S CB 1.464 64.691 63.200 0.045 0.000 0.906 361 S HN 0.797 nan 8.310 nan 0.000 0.528 362 I N 1.282 121.830 120.570 -0.037 0.000 2.454 362 I HA -0.104 4.066 4.170 -0.000 0.000 0.254 362 I C 1.906 178.016 176.117 -0.012 0.000 1.156 362 I CA 1.447 62.677 61.300 -0.118 0.000 1.433 362 I CB -0.616 37.221 38.000 -0.272 0.000 1.082 362 I HN 0.794 nan 8.210 nan 0.000 0.432 363 E N 0.466 120.678 120.200 0.019 0.000 2.153 363 E HA -0.174 4.176 4.350 -0.000 0.000 0.194 363 E C 1.469 178.101 176.600 0.053 0.000 0.988 363 E CA 1.366 57.794 56.400 0.047 0.000 0.811 363 E CB -0.175 29.546 29.700 0.035 0.000 0.746 363 E HN 0.567 nan 8.360 nan 0.000 0.466 364 E N 0.635 120.858 120.200 0.039 0.000 2.499 364 E HA 0.088 4.438 4.350 -0.000 0.000 0.199 364 E C -0.366 176.259 176.600 0.042 0.000 1.016 364 E CA -0.103 56.320 56.400 0.038 0.000 0.933 364 E CB 0.622 30.338 29.700 0.028 0.000 1.050 364 E HN 0.122 nan 8.360 nan 0.000 0.462 365 S N 0.992 116.722 115.700 0.051 0.000 2.549 365 S HA 0.132 4.602 4.470 -0.000 0.000 0.279 365 S C -1.746 172.908 174.600 0.089 0.000 1.321 365 S CA -1.141 57.090 58.200 0.051 0.000 1.054 365 S CB 1.332 64.536 63.200 0.007 0.000 0.899 365 S HN -0.176 nan 8.310 nan 0.000 0.497 366 P HA -0.010 nan 4.420 nan 0.000 0.218 366 P C -0.115 177.294 177.300 0.180 0.000 1.149 366 P CA 0.496 63.660 63.100 0.106 0.000 0.817 366 P CB -0.107 31.639 31.700 0.078 0.000 0.785 367 V N 1.492 121.518 119.914 0.187 0.000 2.397 367 V HA 0.035 4.155 4.120 -0.000 0.000 0.262 367 V C 0.770 177.030 176.094 0.276 0.000 1.047 367 V CA 0.002 62.465 62.300 0.270 0.000 1.003 367 V CB -0.382 31.572 31.823 0.217 0.000 1.037 367 V HN 0.045 nan 8.190 nan 0.000 0.480 368 K N 6.051 126.453 120.400 0.003 0.000 2.126 368 K HA 0.304 4.624 4.320 -0.000 0.000 0.257 368 K C -1.559 174.773 176.600 -0.447 0.000 1.007 368 K CA -1.580 54.531 56.287 -0.294 0.000 0.928 368 K CB 0.754 32.854 32.500 -0.666 0.000 1.013 368 K HN 0.220 nan 8.250 nan 0.000 0.473 369 P HA -0.205 nan 4.420 nan 0.000 0.217 369 P C 0.152 177.060 177.300 -0.653 0.000 1.148 369 P CA 1.365 63.858 63.100 -1.012 0.000 0.828 369 P CB 0.266 31.313 31.700 -1.088 0.000 0.783 370 E N -1.501 118.258 120.200 -0.735 0.000 2.058 370 E HA -0.211 4.139 4.350 -0.000 0.000 0.194 370 E C 1.915 178.414 176.600 -0.169 0.000 0.997 370 E CA 1.309 57.372 56.400 -0.561 0.000 0.801 370 E CB -0.862 28.590 29.700 -0.414 0.000 0.746 370 E HN 0.552 nan 8.360 nan 0.000 0.450 371 H N -0.734 118.250 119.070 -0.144 0.000 2.395 371 H HA -0.034 4.522 4.556 0.000 0.000 0.299 371 H C 2.006 177.304 175.328 -0.050 0.000 1.070 371 H CA 0.569 56.574 56.048 -0.071 0.000 1.356 371 H CB 0.099 29.844 29.762 -0.029 0.000 1.401 371 H HN 0.044 nan 8.280 nan 0.000 0.524 372 L N 1.081 122.363 121.223 0.098 0.000 2.027 372 L HA -0.053 4.287 4.340 -0.000 0.000 0.206 372 L C 2.532 179.422 176.870 0.034 0.000 1.074 372 L CA 1.548 56.446 54.840 0.097 0.000 0.745 372 L CB -0.666 41.537 42.059 0.240 0.000 0.898 372 L HN 0.215 nan 8.230 nan 0.000 0.433 373 A N -0.891 121.935 122.820 0.010 0.000 1.908 373 A HA -0.295 4.025 4.320 -0.000 0.000 0.218 373 A C 2.317 179.894 177.584 -0.012 0.000 1.181 373 A CA 2.009 54.088 52.037 0.071 0.000 0.627 373 A CB -0.737 18.308 19.000 0.076 0.000 0.818 373 A HN 0.621 nan 8.150 nan 0.000 0.445 374 E N -0.732 119.434 120.200 -0.056 0.000 2.047 374 E HA -0.187 4.163 4.350 -0.000 0.000 0.191 374 E C 1.941 178.433 176.600 -0.179 0.000 0.987 374 E CA 1.267 57.593 56.400 -0.124 0.000 0.799 374 E CB -0.205 29.465 29.700 -0.051 0.000 0.752 374 E HN 0.457 nan 8.360 nan 0.000 0.449 375 L N 0.578 121.711 121.223 -0.149 0.000 1.989 375 L HA -0.164 4.176 4.340 -0.000 0.000 0.211 375 L C 2.252 178.931 176.870 -0.318 0.000 1.071 375 L CA 1.529 56.229 54.840 -0.234 0.000 0.749 375 L CB -0.567 41.344 42.059 -0.246 0.000 0.890 375 L HN 0.047 nan 8.230 nan 0.000 0.431 376 V N -0.301 119.457 119.914 -0.260 0.000 2.720 376 V HA -0.272 3.848 4.120 -0.000 0.000 0.256 376 V C 2.630 178.662 176.094 -0.103 0.000 1.082 376 V CA 1.815 64.004 62.300 -0.184 0.000 1.101 376 V CB -0.821 31.033 31.823 0.050 0.000 0.693 376 V HN 0.497 nan 8.190 nan 0.000 0.479 377 K N 0.154 120.340 120.400 -0.357 0.000 2.001 377 K HA -0.114 4.206 4.320 -0.000 0.000 0.208 377 K C 2.090 178.486 176.600 -0.340 0.000 1.048 377 K CA 1.412 57.267 56.287 -0.721 0.000 0.932 377 K CB -0.184 31.766 32.500 -0.918 0.000 0.715 377 K HN 0.402 nan 8.250 nan 0.000 0.437 378 L N 1.070 122.137 121.223 -0.260 0.000 2.079 378 L HA -0.211 4.129 4.340 -0.000 0.000 0.210 378 L C 2.324 179.121 176.870 -0.121 0.000 1.081 378 L CA 0.637 55.373 54.840 -0.173 0.000 0.752 378 L CB -0.522 41.440 42.059 -0.163 0.000 0.896 378 L HN 0.225 nan 8.230 nan 0.000 0.433 379 I N 0.308 120.795 120.570 -0.138 0.000 2.252 379 I HA -0.233 3.937 4.170 -0.000 0.000 0.245 379 I C 2.589 178.716 176.117 0.018 0.000 1.102 379 I CA 1.424 62.686 61.300 -0.063 0.000 1.385 379 I CB -0.875 37.061 38.000 -0.106 0.000 1.064 379 I HN 0.234 nan 8.210 nan 0.000 0.414 380 K N 1.648 122.073 120.400 0.041 0.000 2.025 380 K HA -0.136 4.184 4.320 -0.000 0.000 0.207 380 K C 1.805 178.447 176.600 0.071 0.000 1.049 380 K CA 1.420 57.774 56.287 0.112 0.000 0.933 380 K CB -0.147 32.506 32.500 0.255 0.000 0.714 380 K HN 0.257 nan 8.250 nan 0.000 0.438 381 E N 0.314 120.525 120.200 0.017 0.000 2.511 381 E HA -0.030 4.320 4.350 -0.000 0.000 0.196 381 E C -0.371 176.228 176.600 -0.002 0.000 1.066 381 E CA 0.173 56.574 56.400 0.002 0.000 0.871 381 E CB 0.106 29.780 29.700 -0.043 0.000 0.863 381 E HN 0.205 nan 8.360 nan 0.000 0.520 382 K N -1.325 119.077 120.400 0.003 0.000 3.209 382 K HA -0.211 4.109 4.320 -0.000 0.000 0.289 382 K C 0.814 177.408 176.600 -0.009 0.000 1.191 382 K CA 0.365 56.656 56.287 0.006 0.000 0.851 382 K CB -1.881 30.629 32.500 0.017 0.000 1.242 382 K HN 0.018 nan 8.250 nan 0.000 0.480 383 V N 0.224 120.121 119.914 -0.030 0.000 2.427 383 V HA -0.104 4.016 4.120 -0.000 0.000 0.248 383 V C 1.295 177.369 176.094 -0.033 0.000 1.051 383 V CA 2.031 64.308 62.300 -0.038 0.000 1.048 383 V CB -0.626 31.161 31.823 -0.061 0.000 0.666 383 V HN 0.466 nan 8.190 nan 0.000 0.456 384 I N -2.921 117.628 120.570 -0.036 0.000 3.145 384 I HA 0.707 4.877 4.170 -0.000 0.000 0.313 384 I C -0.107 176.010 176.117 -0.000 0.000 1.122 384 I CA -0.760 60.527 61.300 -0.023 0.000 0.987 384 I CB 2.133 40.109 38.000 -0.039 0.000 1.236 384 I HN -0.002 nan 8.210 nan 0.000 0.453 385 S N 0.707 116.419 115.700 0.021 0.000 2.646 385 S HA 0.323 4.793 4.470 -0.000 0.000 0.276 385 S C 0.817 175.474 174.600 0.095 0.000 1.222 385 S CA -0.128 58.104 58.200 0.054 0.000 1.014 385 S CB 1.394 64.624 63.200 0.050 0.000 0.991 385 S HN 0.737 nan 8.310 nan 0.000 0.533 386 T N 1.717 116.363 114.554 0.153 0.000 2.653 386 T HA -0.158 4.192 4.350 -0.000 0.000 0.268 386 T C 1.842 176.682 174.700 0.233 0.000 1.035 386 T CA 1.654 63.918 62.100 0.274 0.000 1.154 386 T CB -0.412 68.598 68.868 0.238 0.000 0.862 386 T HN 0.619 nan 8.240 nan 0.000 0.441 387 K N 0.799 121.280 120.400 0.135 0.000 2.044 387 K HA -0.108 4.212 4.320 -0.000 0.000 0.210 387 K C 2.140 178.800 176.600 0.100 0.000 1.049 387 K CA 1.333 57.680 56.287 0.101 0.000 0.927 387 K CB -0.438 32.100 32.500 0.064 0.000 0.713 387 K HN 0.294 nan 8.250 nan 0.000 0.443 388 I N 0.260 120.879 120.570 0.082 0.000 2.286 388 I HA -0.112 4.058 4.170 -0.000 0.000 0.245 388 I C 2.497 178.650 176.117 0.061 0.000 1.104 388 I CA 1.241 62.574 61.300 0.054 0.000 1.397 388 I CB -1.763 36.252 38.000 0.024 0.000 1.072 388 I HN 0.216 nan 8.210 nan 0.000 0.417 389 G N 0.971 109.818 108.800 0.078 0.000 2.442 389 G HA2 -0.282 3.678 3.960 -0.000 0.000 0.219 389 G HA3 -0.282 3.678 3.960 -0.000 0.000 0.219 389 G C 1.851 176.874 174.900 0.206 0.000 1.141 389 G CA 0.711 45.825 45.100 0.022 0.000 0.763 389 G HN 0.306 nan 8.290 nan 0.000 0.554 390 K N -0.161 120.456 120.400 0.362 0.000 2.228 390 K HA 0.098 4.418 4.320 -0.000 0.000 0.202 390 K C 2.353 179.057 176.600 0.175 0.000 1.051 390 K CA 0.733 57.220 56.287 0.333 0.000 0.960 390 K CB 0.028 32.657 32.500 0.216 0.000 0.743 390 K HN 0.350 nan 8.250 nan 0.000 0.458 391 E N -0.219 120.051 120.200 0.117 0.000 2.072 391 E HA -0.145 4.205 4.350 -0.000 0.000 0.190 391 E C 1.820 178.451 176.600 0.053 0.000 0.982 391 E CA 1.304 57.745 56.400 0.069 0.000 0.803 391 E CB 0.247 29.975 29.700 0.047 0.000 0.755 391 E HN 0.213 nan 8.360 nan 0.000 0.453 392 V N -0.540 119.398 119.914 0.041 0.000 2.488 392 V HA -0.122 3.998 4.120 -0.000 0.000 0.246 392 V C 2.215 178.322 176.094 0.022 0.000 1.046 392 V CA 1.207 63.513 62.300 0.010 0.000 1.053 392 V CB -0.520 31.286 31.823 -0.028 0.000 0.679 392 V HN 0.227 nan 8.190 nan 0.000 0.458 393 I N 0.154 120.760 120.570 0.059 0.000 2.286 393 I HA -0.233 3.937 4.170 -0.000 0.000 0.248 393 I C 2.703 178.872 176.117 0.086 0.000 1.115 393 I CA 1.941 63.297 61.300 0.093 0.000 1.392 393 I CB -0.187 37.937 38.000 0.206 0.000 1.065 393 I HN 0.308 nan 8.210 nan 0.000 0.418 394 K N 0.363 120.814 120.400 0.084 0.000 2.057 394 K HA -0.253 4.067 4.320 -0.000 0.000 0.207 394 K C 2.084 178.708 176.600 0.040 0.000 1.049 394 K CA 1.706 58.029 56.287 0.060 0.000 0.931 394 K CB -0.085 32.448 32.500 0.055 0.000 0.714 394 K HN 0.408 nan 8.250 nan 0.000 0.440 395 E N -0.026 120.193 120.200 0.031 0.000 2.230 395 E HA -0.074 4.276 4.350 -0.000 0.000 0.192 395 E C 1.986 178.593 176.600 0.011 0.000 0.987 395 E CA 0.285 56.695 56.400 0.017 0.000 0.841 395 E CB 0.125 29.829 29.700 0.008 0.000 0.783 395 E HN 0.309 nan 8.360 nan 0.000 0.481 396 M N 0.070 119.678 119.600 0.013 0.000 2.082 396 M HA -0.209 4.271 4.480 -0.000 0.000 0.258 396 M C 2.275 178.596 176.300 0.034 0.000 1.069 396 M CA 1.328 56.635 55.300 0.013 0.000 1.102 396 M CB -0.071 32.543 32.600 0.024 0.000 1.336 396 M HN 0.028 nan 8.290 nan 0.000 0.404 397 V N -0.264 119.676 119.914 0.043 0.000 2.343 397 V HA -0.245 3.875 4.120 -0.000 0.000 0.247 397 V C 2.145 178.257 176.094 0.031 0.000 1.051 397 V CA 2.013 64.338 62.300 0.042 0.000 1.036 397 V CB -0.632 31.215 31.823 0.039 0.000 0.654 397 V HN 0.432 nan 8.190 nan 0.000 0.451 398 E N 0.303 120.517 120.200 0.025 0.000 2.150 398 E HA -0.144 4.206 4.350 -0.000 0.000 0.193 398 E C 2.220 178.828 176.600 0.015 0.000 0.985 398 E CA 1.808 58.219 56.400 0.018 0.000 0.814 398 E CB -0.100 29.610 29.700 0.016 0.000 0.752 398 E HN 0.822 nan 8.360 nan 0.000 0.466 399 T N -5.291 109.270 114.554 0.012 0.000 3.234 399 T HA 0.392 4.742 4.350 -0.000 0.000 0.235 399 T C 1.586 176.292 174.700 0.010 0.000 0.971 399 T CA 0.615 62.718 62.100 0.005 0.000 1.292 399 T CB 0.344 69.208 68.868 -0.007 0.000 0.994 399 T HN 0.228 nan 8.240 nan 0.000 0.412 400 G N 1.285 110.090 108.800 0.007 0.000 2.227 400 G HA2 -0.075 3.885 3.960 -0.000 0.000 0.168 400 G HA3 -0.075 3.885 3.960 -0.000 0.000 0.168 400 G C -0.150 174.726 174.900 -0.040 0.000 1.006 400 G CA -0.270 44.842 45.100 0.020 0.000 0.684 400 G HN 0.717 nan 8.290 nan 0.000 0.489 401 K N 1.736 122.091 120.400 -0.076 0.000 2.202 401 K HA 0.515 4.835 4.320 -0.000 0.000 0.264 401 K C 0.875 177.318 176.600 -0.261 0.000 1.010 401 K CA 0.160 56.365 56.287 -0.137 0.000 0.940 401 K CB 0.592 33.039 32.500 -0.088 0.000 0.983 401 K HN 0.211 nan 8.250 nan 0.000 0.475 402 T N 1.556 115.901 114.554 -0.348 0.000 2.903 402 T HA -0.014 4.336 4.350 -0.000 0.000 0.314 402 T C -1.600 172.967 174.700 -0.222 0.000 1.078 402 T CA -1.365 60.480 62.100 -0.425 0.000 1.114 402 T CB 0.153 68.849 68.868 -0.286 0.000 0.987 402 T HN 0.406 nan 8.240 nan 0.000 0.548 403 P HA -0.194 nan 4.420 nan 0.000 0.215 403 P C 1.934 179.171 177.300 -0.106 0.000 1.157 403 P CA 1.682 64.711 63.100 -0.120 0.000 0.874 403 P CB -0.256 31.374 31.700 -0.117 0.000 0.790 404 S N -0.606 115.031 115.700 -0.105 0.000 2.399 404 S HA -0.228 4.242 4.470 -0.000 0.000 0.231 404 S C 2.292 176.847 174.600 -0.075 0.000 1.022 404 S CA 1.011 59.160 58.200 -0.085 0.000 0.983 404 S CB -1.331 61.822 63.200 -0.078 0.000 0.803 404 S HN 0.127 nan 8.310 nan 0.000 0.480 405 Q N 1.057 120.805 119.800 -0.087 0.000 2.030 405 Q HA -0.112 4.228 4.340 -0.000 0.000 0.204 405 Q C 2.293 178.257 176.000 -0.061 0.000 0.986 405 Q CA 2.182 57.940 55.803 -0.074 0.000 0.843 405 Q CB -0.406 28.278 28.738 -0.090 0.000 0.904 405 Q HN 0.925 nan 8.270 nan 0.000 0.420 406 I N -2.875 117.656 120.570 -0.065 0.000 2.928 406 I HA -0.068 4.102 4.170 -0.000 0.000 0.266 406 I C 1.957 178.049 176.117 -0.042 0.000 1.234 406 I CA 0.219 61.490 61.300 -0.049 0.000 1.483 406 I CB -0.214 37.759 38.000 -0.045 0.000 1.097 406 I HN -0.045 nan 8.210 nan 0.000 0.455 407 V N 2.093 121.977 119.914 -0.050 0.000 2.307 407 V HA -0.270 3.850 4.120 -0.000 0.000 0.245 407 V C 2.729 178.802 176.094 -0.036 0.000 1.045 407 V CA 2.529 64.802 62.300 -0.044 0.000 1.024 407 V CB -0.497 31.293 31.823 -0.055 0.000 0.651 407 V HN 0.567 nan 8.190 nan 0.000 0.449 408 E N 0.283 120.460 120.200 -0.038 0.000 2.028 408 E HA -0.252 4.098 4.350 -0.000 0.000 0.191 408 E C 2.089 178.674 176.600 -0.026 0.000 0.988 408 E CA 1.618 58.000 56.400 -0.031 0.000 0.799 408 E CB -0.217 29.464 29.700 -0.032 0.000 0.755 408 E HN 0.656 nan 8.360 nan 0.000 0.447 409 E N -0.209 119.975 120.200 -0.027 0.000 2.331 409 E HA -0.164 4.186 4.350 -0.000 0.000 0.199 409 E C 1.078 177.667 176.600 -0.018 0.000 1.008 409 E CA 0.879 57.266 56.400 -0.022 0.000 0.843 409 E CB 0.126 29.811 29.700 -0.025 0.000 0.761 409 E HN 0.174 nan 8.360 nan 0.000 0.507 410 K N -0.797 119.592 120.400 -0.018 0.000 2.520 410 K HA 0.198 4.518 4.320 -0.000 0.000 0.206 410 K C -0.098 176.494 176.600 -0.012 0.000 1.122 410 K CA 0.342 56.621 56.287 -0.013 0.000 1.045 410 K CB 1.942 34.435 32.500 -0.012 0.000 0.932 410 K HN 0.127 nan 8.250 nan 0.000 0.571 411 G N 2.960 111.751 108.800 -0.015 0.000 3.019 411 G HA2 -0.174 3.786 3.960 -0.000 0.000 0.686 411 G HA3 -0.174 3.786 3.960 -0.000 0.000 0.686 411 G C -0.255 174.635 174.900 -0.016 0.000 1.056 411 G CA -0.521 44.571 45.100 -0.014 0.000 0.774 411 G HN 0.097 nan 8.290 nan 0.000 0.583 412 L N 0.000 121.213 121.223 -0.017 0.000 2.949 412 L HA 0.000 4.340 4.340 -0.000 0.000 0.249 412 L CA 0.000 54.828 54.840 -0.020 0.000 0.813 412 L CB 0.000 42.045 42.059 -0.023 0.000 0.961 412 L HN 0.000 nan 8.230 nan 0.000 0.502