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 3iyl_1_H DATA FIRST_RESID 43 DATA SEQUENCE PTGKLWRPVG TSVATIDSLA IVSDRFGQYS FVNEGMRETF SKALFDINMW DATA SEQUENCE QPLFQATKTG CGPIVLSSFT TTTSGYVGAT AGDALDNPVT NGVFISTVQI DATA SEQUENCE MNLQRTIAAR MRDVALWQKH LDTAMTMLTP DISAGSASCN WKSLLAFAKD DATA SEQUENCE ILPLDNLCLT YPNEFYNVAI HRYPALKPGN PDTKLPDAQA HPLGEVAGAF DATA SEQUENCE NAATSEVGSL VGSSSTLSQA ISTMAGKDLD LIEADTPLPV SVFTPSLAPR DATA SEQUENCE SYRPAFIKPE DAKWIAEFNN SSLIRKTLTY SGATYTVQLG PGPTRVIDMN DATA SEQUENCE AMIDSVLTLD VSGTILPYDT NPDLSTSVPA FVLIQTSVPI QQVTTAANIT DATA SEQUENCE AITVVSAAGA SAINLAINVR GQPRFNMLHL QATFERETIT GIPYIYGLGT DATA SEQUENCE FLIPSPTSSS NFSNPTLMDG LLTVTPVLLR ETTYKGEVVD AIVPATVMAN DATA SEQUENCE QTSEEVASAL ANDAIVLVSN HLNKLANVVG DAIPVASRTD DSATSAIVSR DATA SEQUENCE LAVQHKLSQV GQASPTPPDY PLLWRRAKRA ASMFVSNPSL ALQVGIPVLT DATA SEQUENCE QSGMLSALTS GVGTALRTGS LGKGVTDASE KLRARQSLTV AKQAFFDQIG DATA SEQUENCE SLWP 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 43 P HA 0.000 nan 4.420 nan 0.000 0.216 43 P C 0.000 177.467 177.300 0.278 0.000 1.155 43 P CA 0.000 63.137 63.100 0.061 0.000 0.800 43 P CB 0.000 31.554 31.700 -0.243 0.000 0.726 44 T N -1.597 113.115 114.554 0.263 0.000 2.700 44 T HA 0.674 5.024 4.350 -0.000 0.000 0.307 44 T C -0.359 174.523 174.700 0.303 0.000 1.580 44 T CA 0.343 62.636 62.100 0.322 0.000 0.992 44 T CB 1.459 70.434 68.868 0.178 0.000 1.577 44 T HN 1.311 nan 8.240 nan 0.000 0.496 45 G N 1.325 110.302 108.800 0.295 0.000 2.725 45 G HA2 -0.074 3.886 3.960 -0.000 0.000 0.220 45 G HA3 -0.074 3.886 3.960 -0.000 0.000 0.220 45 G C -1.039 174.109 174.900 0.414 0.000 1.357 45 G CA -0.660 44.630 45.100 0.318 0.000 0.866 45 G HN 0.817 nan 8.290 nan 0.000 0.548 46 K N -0.283 120.366 120.400 0.415 0.000 2.202 46 K HA 0.503 4.823 4.320 -0.000 0.000 0.264 46 K C 0.516 177.429 176.600 0.522 0.000 1.010 46 K CA -0.383 56.117 56.287 0.355 0.000 0.940 46 K CB 1.574 34.124 32.500 0.084 0.000 0.983 46 K HN 0.915 nan 8.250 nan 0.000 0.475 47 L N 0.615 122.091 121.223 0.422 0.000 2.350 47 L HA 0.449 4.789 4.340 -0.000 0.000 0.275 47 L C -1.361 175.702 176.870 0.321 0.000 1.099 47 L CA -0.230 54.866 54.840 0.427 0.000 0.808 47 L CB 0.432 42.434 42.059 -0.094 0.000 1.149 47 L HN 0.460 nan 8.230 nan 0.000 0.442 48 W N 3.582 124.926 121.300 0.073 0.000 2.736 48 W HA 0.784 5.444 4.660 -0.000 0.000 0.355 48 W C -0.348 176.212 176.519 0.069 0.000 1.102 48 W CA -0.877 56.515 57.345 0.078 0.000 1.164 48 W CB 0.993 30.516 29.460 0.105 0.000 1.422 48 W HN 0.437 nan 8.180 nan 0.000 0.572 49 R N 0.498 121.175 120.500 0.294 0.000 2.668 49 R HA 0.331 4.671 4.340 -0.000 0.000 0.272 49 R C -2.701 173.717 176.300 0.196 0.000 1.019 49 R CA -2.082 54.135 56.100 0.196 0.000 0.894 49 R CB 2.255 32.591 30.300 0.059 0.000 1.228 49 R HN 0.015 nan 8.270 nan 0.000 0.460 50 P HA -0.043 nan 4.420 nan 0.000 0.257 50 P C 0.746 178.102 177.300 0.093 0.000 1.227 50 P CA 0.257 63.443 63.100 0.143 0.000 0.981 50 P CB 0.364 32.149 31.700 0.143 0.000 1.044 51 V N 3.735 123.702 119.914 0.088 0.000 2.490 51 V HA -0.154 3.966 4.120 -0.000 0.000 0.250 51 V C 2.252 178.373 176.094 0.046 0.000 1.061 51 V CA 2.682 65.017 62.300 0.060 0.000 1.064 51 V CB -1.079 30.778 31.823 0.058 0.000 0.670 51 V HN 0.636 nan 8.190 nan 0.000 0.461 52 G N -1.496 107.332 108.800 0.047 0.000 2.920 52 G HA2 0.132 4.092 3.960 -0.000 0.000 0.208 52 G HA3 0.132 4.092 3.960 -0.000 0.000 0.208 52 G C 0.460 175.380 174.900 0.033 0.000 1.159 52 G CA 0.889 46.010 45.100 0.035 0.000 0.784 52 G HN 0.517 nan 8.290 nan 0.000 0.535 53 T N -0.952 113.626 114.554 0.041 0.000 0.541 53 T HA -0.176 4.174 4.350 -0.000 0.000 0.774 53 T C 1.214 175.938 174.700 0.041 0.000 0.992 53 T CA 0.373 62.495 62.100 0.038 0.000 4.077 53 T CB -1.153 67.730 68.868 0.025 0.000 2.303 53 T HN 0.944 nan 8.240 nan 0.000 0.398 54 S N -1.431 114.294 115.700 0.042 0.000 4.158 54 S HA -0.296 4.174 4.470 -0.000 0.000 0.538 54 S C 1.196 175.832 174.600 0.060 0.000 1.845 54 S CA 1.439 59.666 58.200 0.044 0.000 4.227 54 S CB -1.182 62.035 63.200 0.029 0.000 0.452 54 S HN 2.212 nan 8.310 nan 0.000 0.455 55 V N 3.661 123.600 119.914 0.042 0.000 2.452 55 V HA 0.396 4.516 4.120 -0.000 0.000 0.286 55 V C 0.342 176.459 176.094 0.037 0.000 0.995 55 V CA 0.522 62.842 62.300 0.034 0.000 1.116 55 V CB -0.175 31.657 31.823 0.015 0.000 0.954 55 V HN 0.972 nan 8.190 nan 0.000 0.473 56 A N 5.955 128.798 122.820 0.038 0.000 2.366 56 A HA 0.689 5.009 4.320 -0.000 0.000 0.322 56 A C 0.416 177.933 177.584 -0.112 0.000 1.397 56 A CA -0.323 51.709 52.037 -0.008 0.000 0.984 56 A CB 0.315 19.343 19.000 0.046 0.000 1.149 56 A HN 0.889 nan 8.150 nan 0.000 0.540 57 T N 1.516 116.023 114.554 -0.079 0.000 2.889 57 T HA 0.405 4.755 4.350 -0.000 0.000 0.278 57 T C 0.813 175.447 174.700 -0.111 0.000 0.995 57 T CA -0.465 61.578 62.100 -0.094 0.000 0.966 57 T CB 0.656 69.494 68.868 -0.050 0.000 1.237 57 T HN 0.411 nan 8.240 nan 0.000 0.591 58 I N 2.276 122.785 120.570 -0.101 0.000 3.309 58 I HA 0.109 4.279 4.170 -0.000 0.000 0.287 58 I C 0.180 176.269 176.117 -0.048 0.000 1.221 58 I CA 0.390 61.630 61.300 -0.100 0.000 1.575 58 I CB -0.919 37.024 38.000 -0.095 0.000 1.254 58 I HN 0.679 nan 8.210 nan 0.000 0.600 59 D N -1.907 118.480 120.400 -0.021 0.000 1.999 59 D HA -0.155 4.485 4.640 -0.000 0.000 0.758 59 D C 1.196 177.520 176.300 0.039 0.000 0.564 59 D CA 0.466 54.477 54.000 0.018 0.000 1.286 59 D CB -0.623 40.182 40.800 0.008 0.000 1.248 59 D HN 0.142 nan 8.370 nan 0.000 0.365 60 S N 0.588 116.304 115.700 0.026 0.000 2.710 60 S HA 0.344 4.814 4.470 -0.000 0.000 0.224 60 S C 0.565 175.212 174.600 0.080 0.000 0.948 60 S CA -0.553 57.673 58.200 0.043 0.000 0.949 60 S CB -0.494 62.722 63.200 0.028 0.000 0.778 60 S HN 0.280 nan 8.310 nan 0.000 0.498 61 L N 0.803 122.091 121.223 0.109 0.000 2.397 61 L HA 0.889 5.229 4.340 -0.000 0.000 0.266 61 L C 0.060 177.087 176.870 0.261 0.000 1.040 61 L CA -0.792 54.170 54.840 0.204 0.000 0.800 61 L CB 1.510 43.696 42.059 0.213 0.000 1.324 61 L HN 0.320 nan 8.230 nan 0.000 0.469 62 A N 0.846 123.880 122.820 0.357 0.000 2.590 62 A HA 0.324 4.644 4.320 -0.000 0.000 0.309 62 A C -0.902 176.688 177.584 0.010 0.000 1.039 62 A CA -0.728 51.432 52.037 0.205 0.000 0.824 62 A CB 0.481 19.535 19.000 0.089 0.000 1.247 62 A HN 0.431 nan 8.150 nan 0.000 0.394 63 I N 2.689 122.987 120.570 -0.453 0.000 2.943 63 I HA -0.068 4.102 4.170 -0.000 0.000 0.296 63 I C 0.797 176.761 176.117 -0.255 0.000 1.220 63 I CA 0.533 61.404 61.300 -0.715 0.000 1.409 63 I CB 0.157 37.681 38.000 -0.794 0.000 1.374 63 I HN 0.381 nan 8.210 nan 0.000 0.545 64 V N 6.813 126.648 119.914 -0.131 0.000 2.220 64 V HA -0.045 4.075 4.120 -0.000 0.000 0.236 64 V C 1.081 177.204 176.094 0.048 0.000 1.314 64 V CA 0.333 62.624 62.300 -0.014 0.000 1.349 64 V CB -0.492 31.327 31.823 -0.006 0.000 1.428 64 V HN 0.839 nan 8.190 nan 0.000 0.495 65 S N 2.933 118.635 115.700 0.003 0.000 2.707 65 S HA 0.642 5.112 4.470 -0.000 0.000 0.276 65 S C -0.368 174.278 174.600 0.077 0.000 1.179 65 S CA -0.172 58.042 58.200 0.024 0.000 0.992 65 S CB 1.266 64.442 63.200 -0.040 0.000 1.030 65 S HN 0.992 nan 8.310 nan 0.000 0.554 66 D N -0.167 120.276 120.400 0.073 0.000 3.038 66 D HA 0.006 4.646 4.640 -0.000 0.000 0.351 66 D C 0.427 176.743 176.300 0.026 0.000 1.442 66 D CA -0.510 53.535 54.000 0.075 0.000 0.802 66 D CB -0.249 40.651 40.800 0.166 0.000 1.406 66 D HN 0.610 nan 8.370 nan 0.000 0.488 67 R N -0.325 120.154 120.500 -0.035 0.000 2.276 67 R HA -0.060 4.280 4.340 -0.000 0.000 0.243 67 R C 0.889 177.019 176.300 -0.283 0.000 1.161 67 R CA 1.638 57.626 56.100 -0.188 0.000 1.007 67 R CB -0.655 29.465 30.300 -0.301 0.000 0.867 67 R HN 0.205 nan 8.270 nan 0.000 0.472 68 F N 0.088 120.034 119.950 -0.007 0.000 2.704 68 F HA 0.397 4.924 4.527 -0.000 0.000 0.304 68 F C 1.452 177.156 175.800 -0.159 0.000 1.094 68 F CA 0.658 58.621 58.000 -0.061 0.000 1.275 68 F CB 1.174 40.152 39.000 -0.037 0.000 1.073 68 F HN 0.414 nan 8.300 nan 0.000 0.586 69 G N 0.323 109.124 108.800 0.002 0.000 2.428 69 G HA2 -0.118 3.842 3.960 -0.000 0.000 0.202 69 G HA3 -0.118 3.842 3.960 -0.000 0.000 0.202 69 G C -0.890 173.905 174.900 -0.175 0.000 1.247 69 G CA -1.036 44.017 45.100 -0.080 0.000 1.020 69 G HN 0.045 nan 8.290 nan 0.000 0.529 70 Q N -0.282 119.403 119.800 -0.190 0.000 2.307 70 Q HA 0.547 4.887 4.340 -0.000 0.000 0.262 70 Q C -1.108 174.750 176.000 -0.237 0.000 0.961 70 Q CA -0.578 55.119 55.803 -0.177 0.000 0.882 70 Q CB 1.649 30.328 28.738 -0.099 0.000 1.264 70 Q HN 0.478 nan 8.270 nan 0.000 0.446 71 Y N 1.337 121.659 120.300 0.038 0.000 2.605 71 Y HA 0.035 4.585 4.550 -0.000 0.000 0.336 71 Y C 0.778 176.825 175.900 0.245 0.000 1.111 71 Y CA -0.064 58.104 58.100 0.113 0.000 1.422 71 Y CB 0.463 38.908 38.460 -0.024 0.000 1.193 71 Y HN 0.413 nan 8.280 nan 0.000 0.526 72 S N 4.440 120.362 115.700 0.369 0.000 2.475 72 S HA 0.470 4.940 4.470 -0.000 0.000 0.298 72 S C -0.700 174.217 174.600 0.529 0.000 1.119 72 S CA -0.947 57.495 58.200 0.404 0.000 1.085 72 S CB 0.775 64.109 63.200 0.224 0.000 1.028 72 S HN 0.448 nan 8.310 nan 0.000 0.489 73 F N 3.255 123.406 119.950 0.334 0.000 2.563 73 F HA 0.370 4.897 4.527 -0.000 0.000 0.363 73 F C -0.079 175.656 175.800 -0.109 0.000 1.123 73 F CA -0.683 57.238 58.000 -0.132 0.000 1.307 73 F CB 0.620 39.527 39.000 -0.156 0.000 1.115 73 F HN 0.434 nan 8.300 nan 0.000 0.592 74 V N 6.874 126.172 119.914 -1.026 0.000 2.204 74 V HA 0.103 4.223 4.120 -0.000 0.000 0.264 74 V C -0.391 174.985 176.094 -1.197 0.000 1.106 74 V CA -0.884 60.945 62.300 -0.785 0.000 0.947 74 V CB -0.523 31.079 31.823 -0.368 0.000 1.164 74 V HN 0.829 nan 8.190 nan 0.000 0.461 75 N N 1.918 119.925 118.700 -1.156 0.000 2.329 75 N HA -0.082 4.658 4.740 -0.000 0.000 0.237 75 N C 1.142 176.408 175.510 -0.407 0.000 1.258 75 N CA -0.067 52.560 53.050 -0.706 0.000 0.866 75 N CB 0.731 39.079 38.487 -0.231 0.000 1.102 75 N HN 0.322 nan 8.380 nan 0.000 0.440 76 E N 1.307 121.369 120.200 -0.231 0.000 2.113 76 E HA -0.233 4.117 4.350 -0.000 0.000 0.210 76 E C 1.841 178.340 176.600 -0.169 0.000 1.040 76 E CA 2.118 58.422 56.400 -0.159 0.000 0.847 76 E CB -1.012 28.639 29.700 -0.082 0.000 0.755 76 E HN 0.861 nan 8.360 nan 0.000 0.459 77 G N 0.586 109.291 108.800 -0.158 0.000 2.422 77 G HA2 -0.235 3.725 3.960 -0.000 0.000 0.218 77 G HA3 -0.235 3.725 3.960 -0.000 0.000 0.218 77 G C 1.574 176.336 174.900 -0.231 0.000 1.140 77 G CA 0.821 45.825 45.100 -0.160 0.000 0.775 77 G HN 0.295 nan 8.290 nan 0.000 0.545 78 M N 0.828 120.251 119.600 -0.294 0.000 2.549 78 M HA 0.068 4.548 4.480 -0.000 0.000 0.260 78 M C 2.353 178.305 176.300 -0.581 0.000 1.076 78 M CA 0.902 55.928 55.300 -0.457 0.000 1.090 78 M CB -0.121 32.228 32.600 -0.418 0.000 1.418 78 M HN 0.362 nan 8.290 nan 0.000 0.486 79 R N -0.441 119.848 120.500 -0.350 0.000 2.210 79 R HA -0.076 4.264 4.340 -0.000 0.000 0.203 79 R C 1.358 177.559 176.300 -0.165 0.000 1.010 79 R CA 0.938 56.902 56.100 -0.227 0.000 1.008 79 R CB -0.009 30.205 30.300 -0.143 0.000 0.923 79 R HN 0.180 nan 8.270 nan 0.000 0.469 80 E N 0.458 120.549 120.200 -0.183 0.000 2.110 80 E HA -0.086 4.264 4.350 -0.000 0.000 0.193 80 E C 1.540 178.077 176.600 -0.104 0.000 0.988 80 E CA 2.045 58.370 56.400 -0.124 0.000 0.804 80 E CB -0.143 29.483 29.700 -0.123 0.000 0.745 80 E HN 0.336 nan 8.360 nan 0.000 0.458 81 T N -0.045 114.393 114.554 -0.194 0.000 2.639 81 T HA -0.084 4.266 4.350 -0.000 0.000 0.261 81 T C 1.704 176.444 174.700 0.066 0.000 1.053 81 T CA 1.282 63.308 62.100 -0.123 0.000 1.158 81 T CB -0.682 68.028 68.868 -0.264 0.000 0.863 81 T HN 0.205 nan 8.240 nan 0.000 0.413 82 F N 1.186 121.130 119.950 -0.010 0.000 2.307 82 F HA -0.106 4.421 4.527 -0.000 0.000 0.301 82 F C 2.912 178.735 175.800 0.039 0.000 1.076 82 F CA 0.190 58.191 58.000 0.001 0.000 1.383 82 F CB -0.243 38.745 39.000 -0.020 0.000 1.055 82 F HN 0.187 nan 8.300 nan 0.000 0.526 83 S N 0.016 115.832 115.700 0.193 0.000 2.388 83 S HA -0.095 4.375 4.470 -0.000 0.000 0.223 83 S C 1.985 176.698 174.600 0.187 0.000 1.034 83 S CA 0.611 58.907 58.200 0.159 0.000 0.963 83 S CB -0.056 63.188 63.200 0.073 0.000 0.827 83 S HN 0.240 nan 8.310 nan 0.000 0.481 84 K N 0.542 121.026 120.400 0.139 0.000 2.211 84 K HA 0.038 4.358 4.320 -0.000 0.000 0.203 84 K C 2.004 178.744 176.600 0.235 0.000 1.050 84 K CA 0.956 57.344 56.287 0.168 0.000 0.945 84 K CB -0.209 32.341 32.500 0.084 0.000 0.732 84 K HN 0.374 nan 8.250 nan 0.000 0.451 85 A N 0.853 123.798 122.820 0.208 0.000 1.874 85 A HA -0.050 4.270 4.320 -0.000 0.000 0.214 85 A C 1.978 179.672 177.584 0.183 0.000 1.189 85 A CA 0.831 52.979 52.037 0.185 0.000 0.615 85 A CB -0.437 18.668 19.000 0.175 0.000 0.830 85 A HN 0.202 nan 8.150 nan 0.000 0.443 86 L N -1.768 119.572 121.223 0.195 0.000 2.093 86 L HA -0.123 4.217 4.340 -0.000 0.000 0.208 86 L C 2.472 179.461 176.870 0.198 0.000 1.085 86 L CA 1.351 56.299 54.840 0.180 0.000 0.755 86 L CB -0.561 41.609 42.059 0.186 0.000 0.904 86 L HN 0.501 nan 8.230 nan 0.000 0.435 87 F N 1.668 121.680 119.950 0.104 0.000 2.126 87 F HA -0.283 4.244 4.527 -0.000 0.000 0.299 87 F C 2.096 177.962 175.800 0.110 0.000 1.096 87 F CA 2.044 60.095 58.000 0.086 0.000 1.255 87 F CB -0.285 38.747 39.000 0.054 0.000 0.997 87 F HN 0.121 nan 8.300 nan 0.000 0.479 88 D N -0.218 120.209 120.400 0.045 0.000 2.350 88 D HA -0.117 4.523 4.640 -0.000 0.000 0.216 88 D C 1.984 178.371 176.300 0.144 0.000 0.968 88 D CA 1.166 55.175 54.000 0.014 0.000 0.894 88 D CB -0.165 40.734 40.800 0.164 0.000 0.909 88 D HN 0.458 nan 8.370 nan 0.000 0.520 89 I N -0.390 120.283 120.570 0.171 0.000 2.729 89 I HA -0.075 4.095 4.170 -0.000 0.000 0.256 89 I C 1.937 178.254 176.117 0.333 0.000 1.115 89 I CA 0.016 61.516 61.300 0.332 0.000 1.446 89 I CB -0.250 37.900 38.000 0.249 0.000 1.176 89 I HN -0.058 nan 8.210 nan 0.000 0.446 90 N N 1.376 120.159 118.700 0.139 0.000 2.137 90 N HA -0.257 4.483 4.740 -0.000 0.000 0.190 90 N C 1.883 177.431 175.510 0.063 0.000 1.017 90 N CA 1.541 54.651 53.050 0.101 0.000 0.859 90 N CB -0.387 38.114 38.487 0.022 0.000 1.002 90 N HN 0.355 nan 8.380 nan 0.000 0.428 91 M N -0.467 119.058 119.600 -0.125 0.000 2.116 91 M HA -0.198 4.282 4.480 -0.000 0.000 0.255 91 M C 0.642 176.866 176.300 -0.127 0.000 1.075 91 M CA 1.722 56.891 55.300 -0.219 0.000 1.087 91 M CB -0.236 32.111 32.600 -0.421 0.000 1.340 91 M HN 0.180 nan 8.290 nan 0.000 0.402 92 W N 0.419 121.757 121.300 0.063 0.000 3.468 92 W HA 0.012 4.672 4.660 -0.000 0.000 0.327 92 W C 1.883 178.419 176.519 0.028 0.000 1.259 92 W CA -0.359 56.989 57.345 0.005 0.000 1.706 92 W CB -0.408 29.057 29.460 0.009 0.000 1.007 92 W HN 0.363 nan 8.180 nan 0.000 0.764 93 Q N 2.210 122.162 119.800 0.253 0.000 2.061 93 Q HA -0.181 4.159 4.340 -0.000 0.000 0.204 93 Q C -0.151 175.909 176.000 0.100 0.000 0.984 93 Q CA 1.994 57.949 55.803 0.253 0.000 0.846 93 Q CB -1.464 27.359 28.738 0.142 0.000 0.902 93 Q HN 0.093 nan 8.270 nan 0.000 0.421 94 P HA -0.145 nan 4.420 nan 0.000 0.223 94 P C 0.906 178.049 177.300 -0.262 0.000 1.144 94 P CA 0.873 63.908 63.100 -0.109 0.000 0.783 94 P CB 0.125 31.750 31.700 -0.124 0.000 0.771 95 L N -2.405 118.575 121.223 -0.405 0.000 2.477 95 L HA 0.235 4.575 4.340 -0.000 0.000 0.220 95 L C 2.114 178.395 176.870 -0.982 0.000 1.106 95 L CA 0.778 55.088 54.840 -0.883 0.000 0.851 95 L CB -1.277 40.056 42.059 -1.210 0.000 0.994 95 L HN -0.235 nan 8.230 nan 0.000 0.462 96 F N -0.162 119.543 119.950 -0.408 0.000 2.163 96 F HA -0.125 4.402 4.527 -0.000 0.000 0.297 96 F C 2.478 178.186 175.800 -0.152 0.000 1.094 96 F CA 1.186 59.073 58.000 -0.188 0.000 1.290 96 F CB -0.416 38.609 39.000 0.041 0.000 1.017 96 F HN 0.178 nan 8.300 nan 0.000 0.483 97 Q N -0.095 119.730 119.800 0.042 0.000 2.016 97 Q HA -0.110 4.230 4.340 -0.000 0.000 0.200 97 Q C 2.537 178.502 176.000 -0.058 0.000 0.978 97 Q CA 1.363 57.173 55.803 0.012 0.000 0.833 97 Q CB -0.661 28.085 28.738 0.012 0.000 0.895 97 Q HN 0.360 nan 8.270 nan 0.000 0.427 98 A N 1.477 124.199 122.820 -0.163 0.000 1.903 98 A HA -0.221 4.099 4.320 -0.000 0.000 0.219 98 A C 2.218 179.708 177.584 -0.156 0.000 1.191 98 A CA 2.182 54.117 52.037 -0.169 0.000 0.638 98 A CB -1.176 17.607 19.000 -0.362 0.000 0.823 98 A HN 0.525 nan 8.150 nan 0.000 0.451 99 T N -4.556 109.801 114.554 -0.328 0.000 3.312 99 T HA 0.279 4.629 4.350 -0.000 0.000 0.251 99 T C 0.535 175.244 174.700 0.016 0.000 1.012 99 T CA 0.363 62.368 62.100 -0.158 0.000 0.925 99 T CB 0.057 68.762 68.868 -0.271 0.000 1.049 99 T HN 0.339 nan 8.240 nan 0.000 0.583 100 K N 0.141 120.561 120.400 0.034 0.000 3.184 100 K HA -0.189 4.131 4.320 -0.000 0.000 0.301 100 K C 0.768 177.439 176.600 0.118 0.000 1.170 100 K CA 1.321 57.652 56.287 0.073 0.000 0.897 100 K CB -2.366 30.173 32.500 0.065 0.000 1.218 100 K HN 0.690 nan 8.250 nan 0.000 0.441 101 T N -1.669 113.005 114.554 0.199 0.000 3.367 101 T HA 0.480 4.830 4.350 -0.000 0.000 0.330 101 T C 1.248 176.101 174.700 0.256 0.000 1.269 101 T CA 1.190 63.453 62.100 0.271 0.000 0.912 101 T CB 0.341 69.467 68.868 0.429 0.000 2.087 101 T HN 0.614 nan 8.240 nan 0.000 0.562 102 G N -0.199 108.744 108.800 0.239 0.000 2.582 102 G HA2 -0.260 3.700 3.960 -0.000 0.000 0.288 102 G HA3 -0.260 3.700 3.960 -0.000 0.000 0.288 102 G C 0.618 175.447 174.900 -0.117 0.000 1.247 102 G CA 0.934 45.908 45.100 -0.210 0.000 0.972 102 G HN 2.097 nan 8.290 nan 0.000 0.557 103 C N -2.907 116.303 119.300 -0.150 0.000 3.951 103 C HA 0.685 5.145 4.460 -0.000 0.000 0.395 103 C C 1.087 176.031 174.990 -0.078 0.000 2.815 103 C CA 0.382 59.353 59.018 -0.078 0.000 1.527 103 C CB -0.948 26.751 27.740 -0.069 0.000 2.094 103 C HN 3.161 nan 8.230 nan 0.000 0.423 104 G N 1.067 109.818 108.800 -0.082 0.000 2.612 104 G HA2 0.299 4.259 3.960 -0.000 0.000 0.686 104 G HA3 0.299 4.259 3.960 -0.000 0.000 0.686 104 G C -3.172 171.687 174.900 -0.068 0.000 1.274 104 G CA -0.406 44.663 45.100 -0.051 0.000 0.849 104 G HN 0.366 nan 8.290 nan 0.000 0.595 105 P HA 0.468 nan 4.420 nan 0.000 0.276 105 P C 0.126 177.420 177.300 -0.009 0.000 1.230 105 P CA -0.330 62.766 63.100 -0.005 0.000 0.776 105 P CB 0.525 32.239 31.700 0.024 0.000 0.888 106 I N 2.970 123.549 120.570 0.015 0.000 2.294 106 I HA 0.086 4.256 4.170 -0.000 0.000 0.295 106 I C -0.016 176.152 176.117 0.085 0.000 1.098 106 I CA -0.484 60.847 61.300 0.052 0.000 1.277 106 I CB 0.265 38.333 38.000 0.113 0.000 1.434 106 I HN 0.001 nan 8.210 nan 0.000 0.498 107 V N 7.046 126.979 119.914 0.031 0.000 2.498 107 V HA 0.010 4.130 4.120 -0.000 0.000 0.279 107 V C 1.025 177.168 176.094 0.082 0.000 1.048 107 V CA -0.522 61.806 62.300 0.046 0.000 0.967 107 V CB 1.649 33.471 31.823 -0.002 0.000 0.988 107 V HN 0.633 nan 8.190 nan 0.000 0.473 108 L N 5.219 126.535 121.223 0.155 0.000 2.353 108 L HA -0.065 4.275 4.340 -0.000 0.000 0.220 108 L C 2.261 179.233 176.870 0.170 0.000 1.133 108 L CA 1.931 56.920 54.840 0.248 0.000 0.798 108 L CB -0.498 41.695 42.059 0.223 0.000 0.922 108 L HN 0.874 nan 8.230 nan 0.000 0.445 109 S N -2.425 113.314 115.700 0.065 0.000 2.720 109 S HA -0.025 4.445 4.470 -0.000 0.000 0.222 109 S C 1.723 176.291 174.600 -0.054 0.000 0.958 109 S CA 0.461 58.675 58.200 0.023 0.000 0.943 109 S CB -0.732 62.474 63.200 0.011 0.000 0.779 109 S HN 0.606 nan 8.310 nan 0.000 0.526 110 S N -0.260 115.339 115.700 -0.169 0.000 2.511 110 S HA 0.319 4.789 4.470 -0.000 0.000 0.214 110 S C 0.759 175.072 174.600 -0.478 0.000 0.997 110 S CA -0.487 57.492 58.200 -0.370 0.000 0.908 110 S CB -0.503 62.360 63.200 -0.561 0.000 0.803 110 S HN 0.442 nan 8.310 nan 0.000 0.504 111 F N 2.964 122.906 119.950 -0.013 0.000 2.731 111 F HA 0.298 4.825 4.527 -0.000 0.000 0.298 111 F C 1.659 177.457 175.800 -0.004 0.000 1.106 111 F CA 0.160 58.145 58.000 -0.025 0.000 1.329 111 F CB -0.133 38.843 39.000 -0.039 0.000 1.100 111 F HN 0.275 nan 8.300 nan 0.000 0.592 112 T N -2.101 112.550 114.554 0.163 0.000 2.902 112 T HA 0.701 5.051 4.350 -0.000 0.000 0.287 112 T C 0.301 175.069 174.700 0.113 0.000 1.048 112 T CA 0.113 62.304 62.100 0.152 0.000 0.941 112 T CB 1.527 70.479 68.868 0.140 0.000 1.432 112 T HN 0.103 nan 8.240 nan 0.000 0.586 113 T N -3.618 111.031 114.554 0.157 0.000 2.711 113 T HA 0.527 4.877 4.350 -0.000 0.000 0.302 113 T C -0.947 173.850 174.700 0.163 0.000 1.373 113 T CA -0.807 61.364 62.100 0.119 0.000 1.000 113 T CB 1.264 70.194 68.868 0.104 0.000 1.483 113 T HN 0.557 nan 8.240 nan 0.000 0.499 114 T N 2.074 116.691 114.554 0.106 0.000 3.514 114 T HA 0.457 4.807 4.350 -0.000 0.000 0.259 114 T C 0.071 174.824 174.700 0.088 0.000 1.466 114 T CA -0.424 61.757 62.100 0.135 0.000 1.562 114 T CB -0.119 68.794 68.868 0.075 0.000 0.924 114 T HN 0.834 nan 8.240 nan 0.000 0.678 115 T N 1.835 116.443 114.554 0.090 0.000 2.771 115 T HA 0.652 5.002 4.350 -0.000 0.000 0.290 115 T C 0.283 174.971 174.700 -0.020 0.000 1.005 115 T CA -0.856 61.153 62.100 -0.152 0.000 0.944 115 T CB 0.817 69.348 68.868 -0.562 0.000 1.147 115 T HN 0.470 nan 8.240 nan 0.000 0.534 116 S N -1.584 114.018 115.700 -0.163 0.000 2.543 116 S HA 0.805 5.275 4.470 -0.000 0.000 0.273 116 S C -0.352 174.128 174.600 -0.199 0.000 1.152 116 S CA -0.532 57.620 58.200 -0.081 0.000 0.910 116 S CB 1.828 64.998 63.200 -0.050 0.000 1.105 116 S HN 1.335 nan 8.310 nan 0.000 0.465 117 G N 0.774 109.450 108.800 -0.206 0.000 2.392 117 G HA2 0.466 4.426 3.960 -0.000 0.000 0.260 117 G HA3 0.466 4.426 3.960 -0.000 0.000 0.260 117 G C -2.402 172.282 174.900 -0.361 0.000 1.226 117 G CA -0.702 44.206 45.100 -0.320 0.000 0.913 117 G HN 0.572 nan 8.290 nan 0.000 0.483 118 Y N -0.439 119.892 120.300 0.051 0.000 2.330 118 Y HA 0.593 5.143 4.550 -0.000 0.000 0.336 118 Y C 0.291 176.244 175.900 0.088 0.000 1.036 118 Y CA -0.693 57.420 58.100 0.021 0.000 1.125 118 Y CB 2.035 40.479 38.460 -0.027 0.000 1.194 118 Y HN 0.397 nan 8.280 nan 0.000 0.469 119 V N 4.466 124.490 119.914 0.183 0.000 2.349 119 V HA 0.938 5.058 4.120 -0.000 0.000 0.284 119 V C -0.271 175.882 176.094 0.099 0.000 1.014 119 V CA 0.168 62.609 62.300 0.235 0.000 0.826 119 V CB 0.436 32.392 31.823 0.222 0.000 1.009 119 V HN 0.885 nan 8.190 nan 0.000 0.431 120 G N 4.005 112.820 108.800 0.026 0.000 3.021 120 G HA2 0.683 4.643 3.960 -0.000 0.000 0.290 120 G HA3 0.683 4.643 3.960 -0.000 0.000 0.290 120 G C 0.328 175.321 174.900 0.155 0.000 1.291 120 G CA 0.042 45.112 45.100 -0.048 0.000 0.834 120 G HN 1.093 nan 8.290 nan 0.000 0.564 121 A N -1.362 121.497 122.820 0.066 0.000 2.115 121 A HA 0.561 4.881 4.320 -0.000 0.000 0.211 121 A C 1.153 178.911 177.584 0.290 0.000 1.169 121 A CA 1.877 54.052 52.037 0.231 0.000 0.787 121 A CB -0.123 18.956 19.000 0.131 0.000 0.858 121 A HN 1.763 nan 8.150 nan 0.000 0.474 122 T N -5.510 108.945 114.554 -0.165 0.000 2.982 122 T HA 0.545 4.895 4.350 -0.000 0.000 0.321 122 T C 0.877 175.020 174.700 -0.927 0.000 1.229 122 T CA 0.325 62.238 62.100 -0.312 0.000 1.044 122 T CB 1.154 70.011 68.868 -0.019 0.000 1.184 122 T HN 0.960 nan 8.240 nan 0.000 0.477 123 A N 2.889 125.087 122.820 -1.036 0.000 1.923 123 A HA -0.091 4.229 4.320 -0.000 0.000 0.222 123 A C 2.403 179.727 177.584 -0.434 0.000 1.258 123 A CA 3.243 54.897 52.037 -0.638 0.000 0.670 123 A CB -1.880 17.077 19.000 -0.072 0.000 0.834 123 A HN 1.632 nan 8.150 nan 0.000 0.470 124 G N 0.152 108.789 108.800 -0.272 0.000 2.491 124 G HA2 -0.343 3.617 3.960 -0.000 0.000 0.218 124 G HA3 -0.343 3.617 3.960 -0.000 0.000 0.218 124 G C 1.147 175.911 174.900 -0.225 0.000 1.180 124 G CA 1.772 46.753 45.100 -0.199 0.000 0.774 124 G HN 0.859 nan 8.290 nan 0.000 0.562 125 D N -0.041 120.213 120.400 -0.242 0.000 2.333 125 D HA 0.359 4.999 4.640 -0.000 0.000 0.208 125 D C 2.241 178.389 176.300 -0.254 0.000 0.984 125 D CA 0.949 54.828 54.000 -0.201 0.000 0.873 125 D CB -0.179 40.538 40.800 -0.138 0.000 0.935 125 D HN 0.299 nan 8.370 nan 0.000 0.521 126 A N 0.216 122.779 122.820 -0.430 0.000 2.119 126 A HA 0.066 4.386 4.320 -0.000 0.000 0.217 126 A C 1.982 179.388 177.584 -0.296 0.000 1.153 126 A CA 0.440 52.208 52.037 -0.449 0.000 0.692 126 A CB -0.610 17.779 19.000 -1.018 0.000 0.799 126 A HN 0.328 nan 8.150 nan 0.000 0.458 127 L N 0.001 121.010 121.223 -0.357 0.000 2.275 127 L HA -0.050 4.290 4.340 -0.000 0.000 0.215 127 L C 0.055 176.746 176.870 -0.298 0.000 1.119 127 L CA 1.673 56.249 54.840 -0.441 0.000 0.790 127 L CB -0.546 41.286 42.059 -0.378 0.000 0.919 127 L HN 0.315 nan 8.230 nan 0.000 0.443 128 D N -0.715 119.585 120.400 -0.166 0.000 2.491 128 D HA 0.169 4.809 4.640 -0.000 0.000 0.228 128 D C 0.029 176.313 176.300 -0.026 0.000 1.183 128 D CA 0.180 54.129 54.000 -0.085 0.000 0.827 128 D CB -0.118 40.633 40.800 -0.080 0.000 0.989 128 D HN 0.217 nan 8.370 nan 0.000 0.494 129 N N 1.293 120.010 118.700 0.028 0.000 2.628 129 N HA 0.104 4.844 4.740 -0.000 0.000 0.299 129 N C -2.755 172.821 175.510 0.110 0.000 1.834 129 N CA -0.804 52.267 53.050 0.034 0.000 0.871 129 N CB 1.401 39.876 38.487 -0.019 0.000 1.377 129 N HN 0.059 nan 8.380 nan 0.000 0.493 130 P HA -0.011 nan 4.420 nan 0.000 0.260 130 P C -0.044 177.228 177.300 -0.047 0.000 1.207 130 P CA 0.288 63.463 63.100 0.125 0.000 0.780 130 P CB 0.987 32.831 31.700 0.239 0.000 0.789 131 V N 4.921 124.766 119.914 -0.114 0.000 2.459 131 V HA 0.386 4.506 4.120 -0.000 0.000 0.295 131 V C -0.300 175.756 176.094 -0.063 0.000 1.029 131 V CA -0.200 62.038 62.300 -0.104 0.000 0.874 131 V CB 2.000 33.699 31.823 -0.207 0.000 0.985 131 V HN 0.466 nan 8.190 nan 0.000 0.438 132 T N 6.052 120.585 114.554 -0.035 0.000 2.771 132 T HA 0.383 4.733 4.350 -0.000 0.000 0.281 132 T C 0.246 174.968 174.700 0.037 0.000 0.982 132 T CA -0.333 61.757 62.100 -0.016 0.000 0.978 132 T CB 0.474 69.324 68.868 -0.029 0.000 0.930 132 T HN 0.800 nan 8.240 nan 0.000 0.447 133 N N 1.700 120.440 118.700 0.065 0.000 2.725 133 N HA -0.130 4.610 4.740 -0.000 0.000 0.251 133 N C 0.593 176.200 175.510 0.161 0.000 1.031 133 N CA 0.964 54.075 53.050 0.102 0.000 0.720 133 N CB -0.788 37.731 38.487 0.053 0.000 0.930 133 N HN 0.913 nan 8.380 nan 0.000 0.543 134 G N -0.670 108.294 108.800 0.273 0.000 2.653 134 G HA2 0.405 4.365 3.960 -0.000 0.000 0.265 134 G HA3 0.405 4.365 3.960 -0.000 0.000 0.265 134 G C -0.006 175.038 174.900 0.240 0.000 1.237 134 G CA -0.196 45.037 45.100 0.221 0.000 0.946 134 G HN 0.270 nan 8.290 nan 0.000 0.522 135 V N 0.655 120.612 119.914 0.072 0.000 2.313 135 V HA 0.662 4.782 4.120 -0.000 0.000 0.278 135 V C -1.102 174.943 176.094 -0.081 0.000 1.017 135 V CA -0.932 61.405 62.300 0.062 0.000 0.823 135 V CB -0.438 31.387 31.823 0.004 0.000 1.010 135 V HN 0.430 nan 8.190 nan 0.000 0.443 136 F N 6.016 126.099 119.950 0.222 0.000 2.470 136 F HA 0.604 5.131 4.527 -0.000 0.000 0.329 136 F C 0.100 176.035 175.800 0.224 0.000 1.072 136 F CA -0.866 57.292 58.000 0.264 0.000 0.989 136 F CB 2.006 41.215 39.000 0.349 0.000 1.193 136 F HN 0.385 nan 8.300 nan 0.000 0.481 137 I N 2.101 122.891 120.570 0.368 0.000 2.389 137 I HA 0.360 4.530 4.170 -0.000 0.000 0.288 137 I C -0.152 176.045 176.117 0.133 0.000 0.999 137 I CA -0.439 60.999 61.300 0.230 0.000 1.129 137 I CB 1.016 39.110 38.000 0.157 0.000 1.288 137 I HN 0.717 nan 8.210 nan 0.000 0.444 138 S N 3.893 119.583 115.700 -0.016 0.000 2.584 138 S HA 0.123 4.593 4.470 -0.000 0.000 0.270 138 S C 1.094 175.582 174.600 -0.186 0.000 1.346 138 S CA -0.066 57.892 58.200 -0.403 0.000 1.018 138 S CB 1.281 64.099 63.200 -0.636 0.000 0.899 138 S HN 0.757 nan 8.310 nan 0.000 0.542 139 T N 1.636 116.074 114.554 -0.192 0.000 2.597 139 T HA -0.178 4.172 4.350 -0.000 0.000 0.267 139 T C 1.835 176.511 174.700 -0.040 0.000 1.053 139 T CA 1.635 63.684 62.100 -0.084 0.000 1.165 139 T CB -0.715 68.110 68.868 -0.072 0.000 0.863 139 T HN 0.624 nan 8.240 nan 0.000 0.427 140 V N 1.218 121.135 119.914 0.004 0.000 2.660 140 V HA -0.196 3.924 4.120 -0.000 0.000 0.257 140 V C 2.372 178.496 176.094 0.051 0.000 1.088 140 V CA 1.744 64.079 62.300 0.058 0.000 1.106 140 V CB -0.475 31.448 31.823 0.167 0.000 0.686 140 V HN 0.399 nan 8.190 nan 0.000 0.481 141 Q N -0.303 119.513 119.800 0.026 0.000 2.089 141 Q HA 0.098 4.438 4.340 -0.000 0.000 0.195 141 Q C 2.106 178.077 176.000 -0.047 0.000 0.963 141 Q CA 1.724 57.562 55.803 0.058 0.000 0.834 141 Q CB -0.312 28.476 28.738 0.082 0.000 0.906 141 Q HN 0.680 nan 8.270 nan 0.000 0.452 142 I N 0.454 120.981 120.570 -0.072 0.000 2.800 142 I HA -0.260 3.910 4.170 -0.000 0.000 0.266 142 I C 1.869 177.885 176.117 -0.168 0.000 1.249 142 I CA 0.541 61.760 61.300 -0.136 0.000 1.458 142 I CB -0.092 37.869 38.000 -0.065 0.000 1.093 142 I HN 0.167 nan 8.210 nan 0.000 0.466 143 M N -0.002 119.530 119.600 -0.114 0.000 2.325 143 M HA -0.040 4.440 4.480 -0.000 0.000 0.265 143 M C 1.979 178.193 176.300 -0.143 0.000 1.094 143 M CA 1.503 56.741 55.300 -0.104 0.000 1.161 143 M CB -1.010 31.563 32.600 -0.044 0.000 1.358 143 M HN 0.190 nan 8.290 nan 0.000 0.446 144 N N 0.596 119.220 118.700 -0.127 0.000 2.109 144 N HA -0.105 4.635 4.740 -0.000 0.000 0.188 144 N C 1.697 176.920 175.510 -0.478 0.000 1.034 144 N CA 0.881 53.853 53.050 -0.131 0.000 0.846 144 N CB -0.896 37.683 38.487 0.153 0.000 1.010 144 N HN 0.214 nan 8.380 nan 0.000 0.425 145 L N 1.496 122.091 121.223 -1.045 0.000 2.270 145 L HA -0.181 4.159 4.340 -0.000 0.000 0.217 145 L C 2.156 178.580 176.870 -0.743 0.000 1.107 145 L CA 1.698 55.643 54.840 -1.490 0.000 0.772 145 L CB -0.392 40.848 42.059 -1.365 0.000 0.902 145 L HN 0.178 nan 8.230 nan 0.000 0.439 146 Q N 0.059 119.557 119.800 -0.502 0.000 1.990 146 Q HA -0.128 4.212 4.340 -0.000 0.000 0.195 146 Q C 2.374 178.239 176.000 -0.225 0.000 0.977 146 Q CA 1.383 56.989 55.803 -0.328 0.000 0.828 146 Q CB -0.250 28.344 28.738 -0.239 0.000 0.896 146 Q HN 0.478 nan 8.270 nan 0.000 0.447 147 R N -0.094 120.303 120.500 -0.171 0.000 2.293 147 R HA -0.048 4.292 4.340 -0.000 0.000 0.219 147 R C 2.021 178.263 176.300 -0.096 0.000 1.091 147 R CA 1.152 57.187 56.100 -0.109 0.000 1.004 147 R CB 0.094 30.351 30.300 -0.072 0.000 0.865 147 R HN 0.299 nan 8.270 nan 0.000 0.469 148 T N 0.678 115.154 114.554 -0.130 0.000 2.781 148 T HA 0.044 4.394 4.350 -0.000 0.000 0.252 148 T C 1.712 176.365 174.700 -0.080 0.000 1.039 148 T CA 0.590 62.648 62.100 -0.069 0.000 1.147 148 T CB 0.037 68.901 68.868 -0.007 0.000 0.865 148 T HN 0.107 nan 8.240 nan 0.000 0.423 149 I N 1.400 121.891 120.570 -0.133 0.000 2.399 149 I HA -0.227 3.943 4.170 -0.000 0.000 0.254 149 I C 2.578 178.653 176.117 -0.070 0.000 1.146 149 I CA 0.899 62.143 61.300 -0.092 0.000 1.412 149 I CB -0.257 37.660 38.000 -0.137 0.000 1.076 149 I HN 0.221 nan 8.210 nan 0.000 0.432 150 A N 0.344 123.111 122.820 -0.087 0.000 1.855 150 A HA 0.007 4.327 4.320 -0.000 0.000 0.213 150 A C 2.542 180.088 177.584 -0.063 0.000 1.195 150 A CA 1.240 53.234 52.037 -0.071 0.000 0.610 150 A CB -0.784 18.171 19.000 -0.075 0.000 0.837 150 A HN 0.367 nan 8.150 nan 0.000 0.444 151 A N -0.133 122.652 122.820 -0.058 0.000 1.865 151 A HA -0.178 4.142 4.320 -0.000 0.000 0.217 151 A C 2.219 179.773 177.584 -0.051 0.000 1.191 151 A CA 1.641 53.647 52.037 -0.052 0.000 0.623 151 A CB -0.514 18.463 19.000 -0.038 0.000 0.826 151 A HN 0.366 nan 8.150 nan 0.000 0.444 152 R N -1.606 118.876 120.500 -0.030 0.000 2.096 152 R HA -0.096 4.244 4.340 -0.000 0.000 0.235 152 R C 1.994 178.293 176.300 -0.002 0.000 1.127 152 R CA 1.537 57.652 56.100 0.025 0.000 0.968 152 R CB -0.846 29.472 30.300 0.030 0.000 0.861 152 R HN 0.515 nan 8.270 nan 0.000 0.440 153 M N 0.626 120.205 119.600 -0.034 0.000 2.149 153 M HA -0.140 4.340 4.480 -0.000 0.000 0.261 153 M C 2.164 178.375 176.300 -0.148 0.000 1.064 153 M CA 1.480 56.741 55.300 -0.065 0.000 1.102 153 M CB -0.514 32.059 32.600 -0.044 0.000 1.369 153 M HN 0.025 nan 8.290 nan 0.000 0.408 154 R N -0.066 120.342 120.500 -0.153 0.000 2.075 154 R HA -0.168 4.172 4.340 -0.000 0.000 0.230 154 R C 1.671 177.748 176.300 -0.371 0.000 1.140 154 R CA 2.035 58.011 56.100 -0.208 0.000 0.928 154 R CB -0.523 29.682 30.300 -0.157 0.000 0.834 154 R HN 0.315 nan 8.270 nan 0.000 0.429 155 D N 0.259 120.420 120.400 -0.398 0.000 2.204 155 D HA -0.248 4.392 4.640 -0.000 0.000 0.189 155 D C 1.813 177.242 176.300 -1.452 0.000 1.006 155 D CA 1.872 55.396 54.000 -0.794 0.000 0.855 155 D CB -0.709 39.854 40.800 -0.396 0.000 0.946 155 D HN 0.233 nan 8.370 nan 0.000 0.448 156 V N 0.978 120.313 119.914 -0.964 0.000 2.307 156 V HA -0.150 3.970 4.120 -0.000 0.000 0.245 156 V C 2.338 177.956 176.094 -0.793 0.000 1.045 156 V CA 2.326 64.007 62.300 -1.032 0.000 1.024 156 V CB -0.656 30.679 31.823 -0.813 0.000 0.651 156 V HN 0.246 nan 8.190 nan 0.000 0.449 157 A N 0.058 122.587 122.820 -0.485 0.000 2.009 157 A HA -0.215 4.105 4.320 -0.000 0.000 0.222 157 A C 2.167 179.560 177.584 -0.319 0.000 1.175 157 A CA 2.441 54.297 52.037 -0.302 0.000 0.651 157 A CB -0.581 18.296 19.000 -0.205 0.000 0.815 157 A HN 0.603 nan 8.150 nan 0.000 0.459 158 L N -2.097 118.853 121.223 -0.454 0.000 2.022 158 L HA -0.148 4.192 4.340 -0.000 0.000 0.204 158 L C 2.809 179.564 176.870 -0.192 0.000 1.076 158 L CA 1.385 56.012 54.840 -0.354 0.000 0.749 158 L CB -1.176 40.645 42.059 -0.397 0.000 0.903 158 L HN 0.594 nan 8.230 nan 0.000 0.439 159 W N 0.741 121.956 121.300 -0.142 0.000 2.317 159 W HA -0.252 4.408 4.660 -0.000 0.000 0.318 159 W C 2.582 179.146 176.519 0.075 0.000 1.227 159 W CA 0.899 58.291 57.345 0.078 0.000 1.269 159 W CB -1.382 27.920 29.460 -0.263 0.000 1.155 159 W HN 0.374 nan 8.180 nan 0.000 0.484 160 Q N 1.740 121.448 119.800 -0.153 0.000 2.325 160 Q HA -0.245 4.095 4.340 -0.000 0.000 0.211 160 Q C 2.033 178.153 176.000 0.199 0.000 0.988 160 Q CA 2.557 58.417 55.803 0.095 0.000 0.887 160 Q CB -0.302 28.414 28.738 -0.036 0.000 0.915 160 Q HN 0.582 nan 8.270 nan 0.000 0.440 161 K N -1.650 118.762 120.400 0.021 0.000 2.137 161 K HA -0.115 4.205 4.320 -0.000 0.000 0.202 161 K C 1.740 178.300 176.600 -0.066 0.000 1.052 161 K CA 0.963 57.218 56.287 -0.054 0.000 0.961 161 K CB -0.380 32.006 32.500 -0.190 0.000 0.741 161 K HN 0.215 nan 8.250 nan 0.000 0.452 162 H N 0.909 120.021 119.070 0.070 0.000 2.357 162 H HA -0.081 4.475 4.556 -0.000 0.000 0.301 162 H C 2.194 177.429 175.328 -0.155 0.000 1.082 162 H CA 1.467 57.486 56.048 -0.048 0.000 1.342 162 H CB -0.167 29.546 29.762 -0.081 0.000 1.389 162 H HN 0.196 nan 8.280 nan 0.000 0.511 163 L N 1.488 122.735 121.223 0.039 0.000 2.079 163 L HA -0.179 4.161 4.340 -0.000 0.000 0.210 163 L C 1.943 178.861 176.870 0.079 0.000 1.081 163 L CA 2.033 56.897 54.840 0.040 0.000 0.752 163 L CB -0.650 41.727 42.059 0.530 0.000 0.896 163 L HN 0.108 nan 8.230 nan 0.000 0.433 164 D N -1.348 119.137 120.400 0.142 0.000 2.077 164 D HA -0.213 4.427 4.640 -0.000 0.000 0.196 164 D C 2.179 178.504 176.300 0.042 0.000 0.986 164 D CA 1.897 55.965 54.000 0.113 0.000 0.829 164 D CB -0.197 40.690 40.800 0.145 0.000 0.983 164 D HN 0.524 nan 8.370 nan 0.000 0.453 165 T N -2.074 112.496 114.554 0.026 0.000 2.896 165 T HA -0.146 4.204 4.350 -0.000 0.000 0.270 165 T C 1.700 176.396 174.700 -0.006 0.000 1.104 165 T CA 1.542 63.649 62.100 0.011 0.000 1.115 165 T CB -0.414 68.459 68.868 0.009 0.000 0.843 165 T HN 0.164 nan 8.240 nan 0.000 0.523 166 A N 0.063 122.866 122.820 -0.027 0.000 1.973 166 A HA 0.479 4.799 4.320 -0.000 0.000 0.210 166 A C 2.155 179.712 177.584 -0.044 0.000 1.200 166 A CA 0.814 52.819 52.037 -0.052 0.000 0.707 166 A CB -0.452 18.491 19.000 -0.095 0.000 0.862 166 A HN 0.429 nan 8.150 nan 0.000 0.461 167 M N 0.834 120.385 119.600 -0.082 0.000 2.074 167 M HA -0.096 4.384 4.480 -0.000 0.000 0.259 167 M C 2.317 178.575 176.300 -0.069 0.000 1.079 167 M CA 2.629 57.816 55.300 -0.188 0.000 1.119 167 M CB -0.915 31.386 32.600 -0.497 0.000 1.297 167 M HN 0.521 nan 8.290 nan 0.000 0.416 168 T N -1.436 113.114 114.554 -0.006 0.000 2.946 168 T HA -0.185 4.165 4.350 -0.000 0.000 0.271 168 T C 1.608 176.355 174.700 0.078 0.000 1.104 168 T CA 1.211 63.349 62.100 0.063 0.000 1.114 168 T CB -0.844 68.070 68.868 0.078 0.000 0.867 168 T HN 0.505 nan 8.240 nan 0.000 0.513 169 M N 1.613 121.253 119.600 0.067 0.000 2.766 169 M HA 0.248 4.728 4.480 -0.000 0.000 0.208 169 M C -0.244 176.179 176.300 0.206 0.000 1.152 169 M CA 0.498 55.859 55.300 0.102 0.000 1.013 169 M CB -0.760 31.874 32.600 0.057 0.000 1.813 169 M HN 0.560 nan 8.290 nan 0.000 0.478 170 L N -2.639 118.719 121.223 0.225 0.000 2.562 170 L HA 0.229 4.569 4.340 -0.000 0.000 0.307 170 L C -0.206 176.899 176.870 0.392 0.000 1.292 170 L CA -0.486 54.582 54.840 0.380 0.000 0.654 170 L CB -1.376 40.888 42.059 0.341 0.000 0.997 170 L HN 0.025 nan 8.230 nan 0.000 0.521 171 T N 1.312 116.025 114.554 0.265 0.000 2.487 171 T HA -0.101 4.249 4.350 -0.000 0.000 0.490 171 T C -1.340 173.550 174.700 0.316 0.000 0.794 171 T CA 0.778 63.014 62.100 0.226 0.000 3.697 171 T CB -0.694 68.263 68.868 0.147 0.000 0.878 171 T HN 0.599 nan 8.240 nan 0.000 0.259 172 P HA 0.161 nan 4.420 nan 0.000 0.258 172 P C -0.336 177.108 177.300 0.240 0.000 1.403 172 P CA 0.297 63.544 63.100 0.246 0.000 0.826 172 P CB 0.462 32.263 31.700 0.167 0.000 1.414 173 D N 0.877 121.411 120.400 0.222 0.000 2.542 173 D HA 0.283 4.923 4.640 -0.000 0.000 0.252 173 D C 0.251 176.635 176.300 0.139 0.000 1.222 173 D CA -0.397 53.705 54.000 0.170 0.000 0.895 173 D CB 1.779 42.668 40.800 0.148 0.000 1.207 173 D HN 0.132 nan 8.370 nan 0.000 0.558 174 I N -0.914 119.734 120.570 0.131 0.000 2.947 174 I HA 0.606 4.776 4.170 -0.000 0.000 0.314 174 I C 0.529 176.688 176.117 0.070 0.000 1.028 174 I CA -0.710 60.649 61.300 0.100 0.000 1.077 174 I CB 2.106 40.179 38.000 0.121 0.000 1.274 174 I HN 0.148 nan 8.210 nan 0.000 0.485 175 S N 1.300 117.031 115.700 0.050 0.000 2.952 175 S HA 0.735 5.205 4.470 -0.000 0.000 0.251 175 S C -0.025 174.591 174.600 0.027 0.000 1.021 175 S CA 0.004 58.226 58.200 0.036 0.000 1.067 175 S CB 0.271 63.490 63.200 0.032 0.000 1.002 175 S HN 1.180 nan 8.310 nan 0.000 0.574 176 A N 0.452 123.290 122.820 0.030 0.000 2.500 176 A HA 0.786 5.106 4.320 -0.000 0.000 0.288 176 A C 0.556 178.157 177.584 0.028 0.000 1.045 176 A CA -0.053 51.997 52.037 0.023 0.000 0.830 176 A CB 0.364 19.375 19.000 0.019 0.000 1.337 176 A HN 1.712 nan 8.150 nan 0.000 0.400 177 G N 1.353 110.165 108.800 0.021 0.000 2.692 177 G HA2 0.126 4.086 3.960 -0.000 0.000 0.248 177 G HA3 0.126 4.086 3.960 -0.000 0.000 0.248 177 G C 0.524 175.446 174.900 0.036 0.000 1.340 177 G CA 0.182 45.296 45.100 0.024 0.000 0.896 177 G HN 1.644 nan 8.290 nan 0.000 0.570 178 S N -1.166 114.559 115.700 0.041 0.000 2.589 178 S HA 0.967 5.437 4.470 -0.000 0.000 0.272 178 S C 0.345 174.998 174.600 0.089 0.000 1.096 178 S CA 0.848 59.081 58.200 0.056 0.000 0.985 178 S CB 1.364 64.585 63.200 0.035 0.000 1.278 178 S HN 2.516 nan 8.310 nan 0.000 0.528 179 A N 1.090 123.970 122.820 0.101 0.000 1.320 179 A HA 0.451 4.771 4.320 -0.000 0.000 0.218 179 A C -0.266 177.395 177.584 0.128 0.000 0.940 179 A CA -0.421 51.711 52.037 0.159 0.000 0.663 179 A CB -0.645 18.509 19.000 0.256 0.000 0.547 179 A HN 0.825 nan 8.150 nan 0.000 0.322 180 S N -0.035 115.696 115.700 0.051 0.000 2.690 180 S HA 0.826 5.296 4.470 -0.000 0.000 0.285 180 S C 0.365 174.864 174.600 -0.169 0.000 1.135 180 S CA -0.244 57.913 58.200 -0.073 0.000 1.020 180 S CB 1.686 64.862 63.200 -0.039 0.000 1.159 180 S HN 2.414 nan 8.310 nan 0.000 0.534 181 C N 2.375 121.539 119.300 -0.226 0.000 3.212 181 C HA 0.403 4.863 4.460 -0.000 0.000 0.367 181 C C -0.379 174.545 174.990 -0.111 0.000 0.979 181 C CA -0.695 58.177 59.018 -0.244 0.000 1.283 181 C CB -1.655 25.694 27.740 -0.651 0.000 1.644 181 C HN 1.180 nan 8.230 nan 0.000 0.575 182 N N 3.742 122.422 118.700 -0.033 0.000 1.801 182 N HA -0.199 4.541 4.740 -0.000 0.000 0.315 182 N C 1.206 176.760 175.510 0.073 0.000 1.326 182 N CA 0.998 54.066 53.050 0.031 0.000 0.840 182 N CB 0.222 38.721 38.487 0.020 0.000 1.126 182 N HN 0.897 nan 8.380 nan 0.000 0.499 183 W N 3.989 125.233 121.300 -0.095 0.000 2.275 183 W HA -0.374 4.286 4.660 -0.000 0.000 0.321 183 W C 1.163 177.638 176.519 -0.073 0.000 1.269 183 W CA 1.428 58.717 57.345 -0.092 0.000 1.274 183 W CB -0.130 29.283 29.460 -0.079 0.000 1.141 183 W HN 0.602 nan 8.180 nan 0.000 0.493 184 K N 0.343 120.719 120.400 -0.041 0.000 1.988 184 K HA -0.211 4.109 4.320 -0.000 0.000 0.221 184 K C 2.054 178.541 176.600 -0.190 0.000 1.053 184 K CA 2.070 58.268 56.287 -0.147 0.000 0.959 184 K CB -1.257 31.226 32.500 -0.030 0.000 0.728 184 K HN 0.119 nan 8.250 nan 0.000 0.447 185 S N 1.645 117.293 115.700 -0.087 0.000 2.389 185 S HA -0.220 4.250 4.470 -0.000 0.000 0.229 185 S C 1.985 176.521 174.600 -0.107 0.000 1.048 185 S CA 1.648 59.827 58.200 -0.034 0.000 1.117 185 S CB -0.603 62.593 63.200 -0.007 0.000 1.020 185 S HN 0.254 nan 8.310 nan 0.000 0.430 186 L N 1.392 122.495 121.223 -0.200 0.000 2.011 186 L HA -0.205 4.135 4.340 -0.000 0.000 0.225 186 L C 2.191 178.877 176.870 -0.307 0.000 1.084 186 L CA 1.801 56.489 54.840 -0.253 0.000 0.791 186 L CB -0.694 41.193 42.059 -0.288 0.000 0.898 186 L HN 0.322 nan 8.230 nan 0.000 0.440 187 L N -1.244 119.609 121.223 -0.617 0.000 1.961 187 L HA -0.229 4.111 4.340 -0.000 0.000 0.210 187 L C 2.567 179.234 176.870 -0.337 0.000 1.072 187 L CA 1.575 56.047 54.840 -0.613 0.000 0.749 187 L CB -0.767 40.787 42.059 -0.841 0.000 0.889 187 L HN 0.399 nan 8.230 nan 0.000 0.432 188 A N -0.851 121.821 122.820 -0.246 0.000 2.148 188 A HA -0.296 4.024 4.320 -0.000 0.000 0.222 188 A C 2.022 179.524 177.584 -0.137 0.000 1.161 188 A CA 1.944 53.907 52.037 -0.124 0.000 0.662 188 A CB -0.858 18.129 19.000 -0.021 0.000 0.799 188 A HN 0.541 nan 8.150 nan 0.000 0.466 189 F N 0.386 120.090 119.950 -0.409 0.000 2.123 189 F HA 0.230 4.757 4.527 -0.000 0.000 0.289 189 F C 2.380 177.809 175.800 -0.617 0.000 1.099 189 F CA 1.093 58.609 58.000 -0.806 0.000 1.234 189 F CB -0.677 37.841 39.000 -0.802 0.000 1.034 189 F HN 0.164 nan 8.300 nan 0.000 0.479 190 A N 0.408 122.841 122.820 -0.644 0.000 2.070 190 A HA -0.183 4.137 4.320 -0.000 0.000 0.220 190 A C 2.168 179.469 177.584 -0.473 0.000 1.159 190 A CA 1.525 53.177 52.037 -0.642 0.000 0.656 190 A CB -0.910 17.911 19.000 -0.298 0.000 0.800 190 A HN 0.515 nan 8.150 nan 0.000 0.453 191 K N -0.461 119.715 120.400 -0.373 0.000 2.281 191 K HA -0.175 4.145 4.320 -0.000 0.000 0.203 191 K C 0.824 177.274 176.600 -0.251 0.000 1.046 191 K CA 1.638 57.772 56.287 -0.254 0.000 0.938 191 K CB -0.097 32.292 32.500 -0.186 0.000 0.737 191 K HN 0.580 nan 8.250 nan 0.000 0.458 192 D N -0.145 120.033 120.400 -0.369 0.000 2.435 192 D HA 0.014 4.654 4.640 -0.000 0.000 0.257 192 D C 1.798 177.892 176.300 -0.344 0.000 1.290 192 D CA 0.428 54.248 54.000 -0.300 0.000 0.994 192 D CB -0.275 40.347 40.800 -0.296 0.000 1.014 192 D HN -0.135 nan 8.370 nan 0.000 0.378 193 I N 1.137 121.386 120.570 -0.535 0.000 2.253 193 I HA -0.294 3.876 4.170 -0.000 0.000 0.234 193 I C 0.989 176.951 176.117 -0.259 0.000 0.978 193 I CA 1.063 62.115 61.300 -0.414 0.000 1.271 193 I CB -1.300 36.335 38.000 -0.607 0.000 0.978 193 I HN 0.148 nan 8.210 nan 0.000 0.394 194 L N 3.799 124.861 121.223 -0.269 0.000 2.806 194 L HA -0.063 4.277 4.340 -0.000 0.000 0.282 194 L C -1.727 175.071 176.870 -0.119 0.000 1.166 194 L CA -0.556 54.184 54.840 -0.168 0.000 0.969 194 L CB -0.851 41.104 42.059 -0.173 0.000 1.304 194 L HN 0.150 nan 8.230 nan 0.000 0.474 195 P HA -0.048 nan 4.420 nan 0.000 0.268 195 P C 0.789 178.061 177.300 -0.047 0.000 1.205 195 P CA -0.549 62.522 63.100 -0.050 0.000 0.771 195 P CB 0.774 32.460 31.700 -0.023 0.000 0.858 196 L N 1.574 122.771 121.223 -0.043 0.000 2.671 196 L HA -0.153 4.187 4.340 -0.000 0.000 0.236 196 L C 0.658 177.506 176.870 -0.037 0.000 1.178 196 L CA 1.806 56.620 54.840 -0.043 0.000 0.829 196 L CB -1.554 40.485 42.059 -0.033 0.000 0.956 196 L HN 0.394 nan 8.230 nan 0.000 0.455 197 D N -2.002 118.385 120.400 -0.022 0.000 2.623 197 D HA 0.084 4.724 4.640 -0.000 0.000 0.252 197 D C 0.992 177.278 176.300 -0.023 0.000 1.294 197 D CA -0.116 53.879 54.000 -0.009 0.000 0.824 197 D CB 0.258 41.077 40.800 0.032 0.000 1.070 197 D HN 0.211 nan 8.370 nan 0.000 0.487 198 N N 0.242 118.899 118.700 -0.071 0.000 2.199 198 N HA 0.166 4.906 4.740 -0.000 0.000 0.254 198 N C 0.520 175.684 175.510 -0.576 0.000 1.299 198 N CA 0.146 53.115 53.050 -0.134 0.000 0.940 198 N CB 0.482 38.923 38.487 -0.078 0.000 1.051 198 N HN -0.067 nan 8.380 nan 0.000 0.426 199 L N -1.002 119.940 121.223 -0.468 0.000 4.368 199 L HA 0.187 4.527 4.340 -0.000 0.000 0.430 199 L C 0.649 177.554 176.870 0.058 0.000 1.098 199 L CA 0.225 54.980 54.840 -0.143 0.000 1.557 199 L CB -1.115 40.928 42.059 -0.028 0.000 1.638 199 L HN 0.583 nan 8.230 nan 0.000 0.622 200 C N -0.313 118.814 119.300 -0.289 0.000 2.697 200 C HA 0.248 4.708 4.460 -0.000 0.000 0.267 200 C C 2.122 177.088 174.990 -0.041 0.000 1.278 200 C CA 0.135 59.004 59.018 -0.250 0.000 1.708 200 C CB -0.652 26.873 27.740 -0.358 0.000 1.860 200 C HN 0.439 nan 8.230 nan 0.000 0.589 201 L N -0.466 120.724 121.223 -0.055 0.000 2.470 201 L HA 0.104 4.444 4.340 -0.000 0.000 0.219 201 L C 2.476 179.300 176.870 -0.078 0.000 1.071 201 L CA 0.936 55.735 54.840 -0.068 0.000 0.850 201 L CB -0.507 41.495 42.059 -0.094 0.000 1.040 201 L HN 0.141 nan 8.230 nan 0.000 0.475 202 T N -1.253 113.247 114.554 -0.089 0.000 3.043 202 T HA -0.016 4.334 4.350 -0.000 0.000 0.263 202 T C 0.402 174.787 174.700 -0.524 0.000 1.094 202 T CA 0.998 62.913 62.100 -0.307 0.000 1.127 202 T CB -0.008 68.650 68.868 -0.351 0.000 0.905 202 T HN 0.215 nan 8.240 nan 0.000 0.490 203 Y N -0.780 119.592 120.300 0.120 0.000 2.742 203 Y HA 0.268 4.818 4.550 -0.000 0.000 0.248 203 Y C -1.871 174.132 175.900 0.172 0.000 1.132 203 Y CA -2.353 55.812 58.100 0.110 0.000 1.142 203 Y CB 0.319 38.787 38.460 0.014 0.000 1.222 203 Y HN 0.012 nan 8.280 nan 0.000 0.575 204 P HA -0.316 nan 4.420 nan 0.000 0.227 204 P C 0.096 177.548 177.300 0.253 0.000 1.106 204 P CA 2.358 65.566 63.100 0.181 0.000 0.998 204 P CB -0.019 31.717 31.700 0.061 0.000 0.769 205 N N -1.761 117.062 118.700 0.205 0.000 3.025 205 N HA 0.247 4.987 4.740 -0.000 0.000 0.315 205 N C 0.469 176.085 175.510 0.176 0.000 1.511 205 N CA -0.273 52.926 53.050 0.248 0.000 1.097 205 N CB 0.522 39.124 38.487 0.193 0.000 1.395 205 N HN 0.073 nan 8.380 nan 0.000 0.511 206 E N -1.148 119.155 120.200 0.172 0.000 2.633 206 E HA 0.257 4.607 4.350 -0.000 0.000 0.214 206 E C -0.084 176.453 176.600 -0.106 0.000 0.898 206 E CA -0.005 56.404 56.400 0.014 0.000 1.422 206 E CB 0.151 29.870 29.700 0.031 0.000 1.398 206 E HN 0.296 nan 8.360 nan 0.000 0.752 207 F N -0.866 119.138 119.950 0.090 0.000 2.500 207 F HA 0.145 4.672 4.527 -0.000 0.000 0.285 207 F C 1.683 177.540 175.800 0.094 0.000 1.088 207 F CA 0.381 58.444 58.000 0.106 0.000 1.432 207 F CB -0.149 38.953 39.000 0.170 0.000 1.131 207 F HN 0.082 nan 8.300 nan 0.000 0.582 208 Y N 1.771 122.193 120.300 0.203 0.000 2.114 208 Y HA -0.282 4.268 4.550 -0.000 0.000 0.282 208 Y C 2.137 178.024 175.900 -0.023 0.000 1.165 208 Y CA 1.952 60.121 58.100 0.115 0.000 1.148 208 Y CB -0.866 37.675 38.460 0.135 0.000 0.972 208 Y HN 0.037 nan 8.280 nan 0.000 0.504 209 N N -0.461 118.135 118.700 -0.173 0.000 2.244 209 N HA -0.144 4.596 4.740 -0.000 0.000 0.183 209 N C 1.881 177.047 175.510 -0.572 0.000 1.016 209 N CA 1.582 54.401 53.050 -0.386 0.000 0.866 209 N CB -0.148 38.212 38.487 -0.211 0.000 0.980 209 N HN 0.302 nan 8.380 nan 0.000 0.430 210 V N 1.804 121.486 119.914 -0.387 0.000 2.323 210 V HA -0.140 3.980 4.120 -0.000 0.000 0.244 210 V C 2.611 178.428 176.094 -0.462 0.000 1.041 210 V CA 1.663 63.657 62.300 -0.511 0.000 1.025 210 V CB -0.921 30.573 31.823 -0.547 0.000 0.656 210 V HN 0.231 nan 8.190 nan 0.000 0.451 211 A N 0.289 122.989 122.820 -0.200 0.000 1.859 211 A HA -0.257 4.063 4.320 -0.000 0.000 0.217 211 A C 2.192 179.754 177.584 -0.037 0.000 1.198 211 A CA 2.277 54.343 52.037 0.047 0.000 0.629 211 A CB -0.804 18.291 19.000 0.158 0.000 0.830 211 A HN 0.469 nan 8.150 nan 0.000 0.446 212 I N -0.671 119.699 120.570 -0.333 0.000 2.367 212 I HA -0.359 3.811 4.170 -0.000 0.000 0.256 212 I C 1.884 177.944 176.117 -0.095 0.000 1.132 212 I CA 1.794 62.906 61.300 -0.313 0.000 1.397 212 I CB -0.407 37.285 38.000 -0.514 0.000 1.074 212 I HN 0.517 nan 8.210 nan 0.000 0.435 213 H N -0.926 118.039 119.070 -0.175 0.000 2.539 213 H HA 0.136 4.692 4.556 -0.000 0.000 0.267 213 H C 1.791 176.992 175.328 -0.212 0.000 0.982 213 H CA -0.102 55.844 56.048 -0.170 0.000 1.146 213 H CB 0.327 29.965 29.762 -0.207 0.000 1.382 213 H HN 0.280 nan 8.280 nan 0.000 0.577 214 R N -0.475 119.913 120.500 -0.187 0.000 2.435 214 R HA 0.105 4.445 4.340 -0.000 0.000 0.221 214 R C -0.662 175.148 176.300 -0.816 0.000 0.885 214 R CA 0.077 55.873 56.100 -0.507 0.000 1.018 214 R CB 0.814 30.701 30.300 -0.687 0.000 1.259 214 R HN 0.130 nan 8.270 nan 0.000 0.597 215 Y N 1.887 122.183 120.300 -0.006 0.000 2.555 215 Y HA 0.302 4.852 4.550 -0.000 0.000 0.326 215 Y C -1.855 174.036 175.900 -0.015 0.000 0.984 215 Y CA -2.838 55.268 58.100 0.010 0.000 1.298 215 Y CB 1.380 39.859 38.460 0.030 0.000 1.094 215 Y HN -0.090 nan 8.280 nan 0.000 0.500 216 P HA -0.035 nan 4.420 nan 0.000 0.259 216 P C 0.752 178.061 177.300 0.016 0.000 1.307 216 P CA 0.719 63.819 63.100 0.000 0.000 0.768 216 P CB 0.221 31.905 31.700 -0.026 0.000 1.199 217 A N 0.316 123.186 122.820 0.083 0.000 1.871 217 A HA 0.081 4.401 4.320 -0.000 0.000 0.211 217 A C 1.311 178.896 177.584 0.002 0.000 1.207 217 A CA 0.334 52.406 52.037 0.058 0.000 0.620 217 A CB -0.900 18.169 19.000 0.114 0.000 0.860 217 A HN 0.193 nan 8.150 nan 0.000 0.450 218 L N 1.751 122.988 121.223 0.024 0.000 2.485 218 L HA 0.180 4.520 4.340 -0.000 0.000 0.279 218 L C -0.518 176.272 176.870 -0.133 0.000 1.124 218 L CA 0.106 54.902 54.840 -0.072 0.000 0.888 218 L CB 0.080 42.140 42.059 0.002 0.000 1.217 218 L HN 0.185 nan 8.230 nan 0.000 0.464 219 K N 5.289 125.584 120.400 -0.176 0.000 2.293 219 K HA 0.415 4.735 4.320 -0.000 0.000 0.267 219 K C -2.263 174.235 176.600 -0.170 0.000 1.010 219 K CA -1.754 54.441 56.287 -0.153 0.000 0.875 219 K CB 1.125 33.545 32.500 -0.133 0.000 1.106 219 K HN 0.309 nan 8.250 nan 0.000 0.450 220 P HA 0.032 nan 4.420 nan 0.000 0.271 220 P C -0.044 177.221 177.300 -0.059 0.000 1.216 220 P CA -0.357 62.703 63.100 -0.067 0.000 0.776 220 P CB 0.829 32.501 31.700 -0.046 0.000 0.881 221 G N 2.279 111.044 108.800 -0.059 0.000 2.354 221 G HA2 0.027 3.987 3.960 -0.000 0.000 0.266 221 G HA3 0.027 3.987 3.960 -0.000 0.000 0.266 221 G C 0.298 175.194 174.900 -0.005 0.000 1.242 221 G CA -0.278 44.798 45.100 -0.040 0.000 0.923 221 G HN 0.582 nan 8.290 nan 0.000 0.476 222 N N 3.211 121.910 118.700 -0.000 0.000 2.412 222 N HA 0.059 4.799 4.740 -0.000 0.000 0.258 222 N C -1.037 174.480 175.510 0.011 0.000 1.236 222 N CA -1.674 51.383 53.050 0.010 0.000 0.882 222 N CB 1.374 39.868 38.487 0.012 0.000 1.066 222 N HN 0.086 nan 8.380 nan 0.000 0.465 223 P HA -0.076 nan 4.420 nan 0.000 0.214 223 P C -0.445 176.862 177.300 0.012 0.000 1.163 223 P CA 1.369 64.479 63.100 0.016 0.000 0.883 223 P CB 0.205 31.915 31.700 0.018 0.000 0.788 224 D N -1.650 118.756 120.400 0.009 0.000 3.139 224 D HA 0.194 4.834 4.640 -0.000 0.000 0.268 224 D C 0.520 176.823 176.300 0.006 0.000 1.322 224 D CA 0.416 54.421 54.000 0.007 0.000 0.940 224 D CB -0.292 40.511 40.800 0.006 0.000 1.050 224 D HN -0.019 nan 8.370 nan 0.000 0.503 225 T N -0.954 113.604 114.554 0.007 0.000 4.881 225 T HA -0.091 4.259 4.350 -0.000 0.000 0.309 225 T C 0.337 175.041 174.700 0.005 0.000 0.953 225 T CA -0.333 61.770 62.100 0.006 0.000 0.552 225 T CB -0.283 68.588 68.868 0.005 0.000 0.856 225 T HN 0.095 nan 8.240 nan 0.000 0.584 226 K N 0.753 121.157 120.400 0.007 0.000 3.139 226 K HA -0.171 4.149 4.320 -0.000 0.000 0.261 226 K C -0.688 175.913 176.600 0.002 0.000 0.895 226 K CA 0.562 56.853 56.287 0.006 0.000 0.664 226 K CB -0.906 31.600 32.500 0.010 0.000 1.388 226 K HN 0.286 nan 8.250 nan 0.000 0.472 227 L N -1.610 119.611 121.223 -0.002 0.000 2.350 227 L HA 0.518 4.858 4.340 -0.000 0.000 0.260 227 L C -1.779 175.082 176.870 -0.016 0.000 1.015 227 L CA -2.445 52.391 54.840 -0.008 0.000 0.821 227 L CB 1.751 43.808 42.059 -0.003 0.000 1.370 227 L HN -0.199 nan 8.230 nan 0.000 0.416 228 P HA 0.054 nan 4.420 nan 0.000 0.286 228 P C -0.433 176.858 177.300 -0.016 0.000 1.394 228 P CA 0.510 63.586 63.100 -0.039 0.000 0.763 228 P CB 0.414 32.082 31.700 -0.053 0.000 1.632 229 D N -4.614 115.776 120.400 -0.017 0.000 2.520 229 D HA 0.252 4.892 4.640 -0.000 0.000 0.386 229 D C 0.760 177.060 176.300 -0.001 0.000 1.267 229 D CA 0.709 54.719 54.000 0.018 0.000 0.958 229 D CB 0.387 41.226 40.800 0.064 0.000 1.462 229 D HN 0.210 nan 8.370 nan 0.000 0.438 230 A N 0.167 122.968 122.820 -0.032 0.000 1.293 230 A HA -0.291 4.029 4.320 -0.000 0.000 0.322 230 A C 0.514 178.053 177.584 -0.076 0.000 1.764 230 A CA 1.468 53.483 52.037 -0.037 0.000 1.092 230 A CB -1.321 17.672 19.000 -0.012 0.000 1.471 230 A HN 0.270 nan 8.150 nan 0.000 0.722 231 Q N 0.829 120.580 119.800 -0.082 0.000 2.421 231 Q HA 0.563 4.903 4.340 -0.000 0.000 0.255 231 Q C 0.121 175.845 176.000 -0.460 0.000 1.013 231 Q CA 0.775 56.461 55.803 -0.195 0.000 0.895 231 Q CB 0.600 29.299 28.738 -0.064 0.000 1.271 231 Q HN 1.498 nan 8.270 nan 0.000 0.460 232 A N 2.904 125.429 122.820 -0.491 0.000 2.318 232 A HA 0.474 4.794 4.320 -0.000 0.000 0.317 232 A C -0.856 176.373 177.584 -0.592 0.000 1.159 232 A CA -0.734 51.008 52.037 -0.491 0.000 0.799 232 A CB 0.559 19.431 19.000 -0.212 0.000 1.194 232 A HN 0.699 nan 8.150 nan 0.000 0.479 233 H N 3.873 122.935 119.070 -0.013 0.000 2.482 233 H HA 0.280 4.836 4.556 -0.000 0.000 0.231 233 H C -2.515 172.810 175.328 -0.005 0.000 1.612 233 H CA -1.590 54.451 56.048 -0.012 0.000 1.279 233 H CB -0.203 29.548 29.762 -0.018 0.000 1.562 233 H HN 0.519 nan 8.280 nan 0.000 0.553 234 P HA 0.039 nan 4.420 nan 0.000 0.284 234 P C 1.263 178.584 177.300 0.034 0.000 1.253 234 P CA -0.666 62.457 63.100 0.039 0.000 0.800 234 P CB 2.009 33.706 31.700 -0.006 0.000 0.961 235 L N 2.412 123.641 121.223 0.010 0.000 2.211 235 L HA -0.149 4.191 4.340 -0.000 0.000 0.216 235 L C 2.050 179.022 176.870 0.171 0.000 1.092 235 L CA 2.376 57.279 54.840 0.104 0.000 0.767 235 L CB -1.889 40.254 42.059 0.139 0.000 0.894 235 L HN 0.622 nan 8.230 nan 0.000 0.437 236 G N -1.403 107.463 108.800 0.109 0.000 3.379 236 G HA2 -0.013 3.947 3.960 -0.000 0.000 0.253 236 G HA3 -0.013 3.947 3.960 -0.000 0.000 0.253 236 G C 1.184 176.116 174.900 0.053 0.000 1.262 236 G CA 0.168 45.322 45.100 0.090 0.000 0.959 236 G HN 0.315 nan 8.290 nan 0.000 0.524 237 E N 0.019 120.247 120.200 0.047 0.000 2.170 237 E HA -0.289 4.061 4.350 -0.000 0.000 0.229 237 E C 2.424 179.058 176.600 0.056 0.000 1.074 237 E CA 2.399 58.825 56.400 0.043 0.000 0.930 237 E CB -0.269 29.456 29.700 0.042 0.000 0.806 237 E HN 0.252 nan 8.360 nan 0.000 0.478 238 V N 0.221 120.180 119.914 0.074 0.000 2.255 238 V HA -0.182 3.938 4.120 -0.000 0.000 0.243 238 V C 2.355 178.582 176.094 0.221 0.000 1.038 238 V CA 1.820 64.216 62.300 0.160 0.000 1.008 238 V CB -1.224 30.681 31.823 0.137 0.000 0.645 238 V HN 0.507 nan 8.190 nan 0.000 0.449 239 A N 1.007 123.908 122.820 0.136 0.000 1.903 239 A HA -0.227 4.093 4.320 -0.000 0.000 0.219 239 A C 2.373 180.035 177.584 0.130 0.000 1.191 239 A CA 2.438 54.553 52.037 0.130 0.000 0.638 239 A CB -1.461 17.583 19.000 0.073 0.000 0.823 239 A HN 0.591 nan 8.150 nan 0.000 0.451 240 G N -1.320 107.528 108.800 0.080 0.000 2.471 240 G HA2 0.099 4.059 3.960 -0.000 0.000 0.219 240 G HA3 0.099 4.059 3.960 -0.000 0.000 0.219 240 G C 1.565 176.481 174.900 0.026 0.000 1.125 240 G CA 1.308 46.435 45.100 0.045 0.000 0.775 240 G HN 0.842 nan 8.290 nan 0.000 0.548 241 A N 0.370 123.203 122.820 0.022 0.000 1.898 241 A HA 0.307 4.627 4.320 -0.000 0.000 0.214 241 A C 1.627 179.086 177.584 -0.209 0.000 1.183 241 A CA 0.470 52.442 52.037 -0.108 0.000 0.622 241 A CB -0.294 18.611 19.000 -0.158 0.000 0.824 241 A HN 0.258 nan 8.150 nan 0.000 0.444 242 F N 0.590 120.540 119.950 0.000 0.000 2.695 242 F HA 0.157 4.684 4.527 -0.000 0.000 0.301 242 F C 1.346 177.149 175.800 0.005 0.000 1.182 242 F CA 0.199 58.199 58.000 0.001 0.000 1.412 242 F CB 0.141 39.139 39.000 -0.002 0.000 1.056 242 F HN 0.223 nan 8.300 nan 0.000 0.522 243 N N -0.308 118.456 118.700 0.106 0.000 2.211 243 N HA 0.190 4.930 4.740 -0.000 0.000 0.216 243 N C 0.704 176.240 175.510 0.043 0.000 1.240 243 N CA 0.190 53.290 53.050 0.083 0.000 0.895 243 N CB 0.217 38.749 38.487 0.076 0.000 1.102 243 N HN 0.040 nan 8.380 nan 0.000 0.498 244 A N 1.202 124.028 122.820 0.011 0.000 2.561 244 A HA 0.386 4.706 4.320 -0.000 0.000 0.234 244 A C 0.639 178.225 177.584 0.003 0.000 1.055 244 A CA 0.157 52.193 52.037 -0.002 0.000 0.756 244 A CB 0.005 18.984 19.000 -0.035 0.000 0.986 244 A HN 0.252 nan 8.150 nan 0.000 0.505 245 A N 3.628 126.455 122.820 0.011 0.000 2.785 245 A HA 0.465 4.785 4.320 -0.000 0.000 0.294 245 A C 0.983 178.568 177.584 0.001 0.000 1.597 245 A CA 0.309 52.354 52.037 0.013 0.000 1.283 245 A CB -1.379 17.632 19.000 0.018 0.000 1.088 245 A HN 1.363 nan 8.150 nan 0.000 0.568 246 T N 0.927 115.478 114.554 -0.006 0.000 2.829 246 T HA 0.165 4.515 4.350 -0.000 0.000 0.293 246 T C 1.401 176.098 174.700 -0.006 0.000 0.970 246 T CA 0.141 62.230 62.100 -0.017 0.000 1.168 246 T CB 0.640 69.492 68.868 -0.026 0.000 0.911 246 T HN 1.047 nan 8.240 nan 0.000 0.535 247 S N 1.777 117.472 115.700 -0.008 0.000 2.440 247 S HA -0.188 4.282 4.470 -0.000 0.000 0.238 247 S C 1.457 176.056 174.600 -0.001 0.000 1.010 247 S CA 0.848 59.047 58.200 -0.002 0.000 0.972 247 S CB -0.386 62.812 63.200 -0.003 0.000 0.774 247 S HN 0.742 nan 8.310 nan 0.000 0.501 248 E N 1.288 121.487 120.200 -0.002 0.000 2.072 248 E HA 0.088 4.438 4.350 -0.000 0.000 0.190 248 E C 0.759 177.362 176.600 0.005 0.000 0.982 248 E CA 1.067 57.467 56.400 0.000 0.000 0.803 248 E CB -0.193 29.507 29.700 0.000 0.000 0.755 248 E HN 0.710 nan 8.360 nan 0.000 0.453 249 V N -3.225 116.694 119.914 0.008 0.000 2.567 249 V HA 0.698 4.818 4.120 -0.000 0.000 0.298 249 V C 1.145 177.249 176.094 0.016 0.000 1.047 249 V CA -0.479 61.829 62.300 0.013 0.000 0.880 249 V CB 1.003 32.837 31.823 0.018 0.000 1.009 249 V HN 0.237 nan 8.190 nan 0.000 0.429 250 G N 3.938 112.747 108.800 0.015 0.000 3.824 250 G HA2 -0.306 3.654 3.960 -0.000 0.000 0.280 250 G HA3 -0.306 3.654 3.960 -0.000 0.000 0.280 250 G C 0.685 175.598 174.900 0.022 0.000 0.963 250 G CA 1.638 46.749 45.100 0.017 0.000 0.865 250 G HN 2.041 nan 8.290 nan 0.000 1.379 251 S N -1.481 114.236 115.700 0.029 0.000 2.652 251 S HA 0.466 4.936 4.470 -0.000 0.000 0.273 251 S C 1.043 175.674 174.600 0.051 0.000 1.172 251 S CA -0.140 58.084 58.200 0.039 0.000 1.009 251 S CB 0.689 63.911 63.200 0.038 0.000 1.094 251 S HN 0.478 nan 8.310 nan 0.000 0.471 252 L N 4.298 125.564 121.223 0.073 0.000 2.013 252 L HA -0.078 4.262 4.340 -0.000 0.000 0.212 252 L C 2.587 179.499 176.870 0.071 0.000 1.073 252 L CA 1.692 56.584 54.840 0.087 0.000 0.753 252 L CB -0.913 41.239 42.059 0.154 0.000 0.890 252 L HN 0.638 nan 8.230 nan 0.000 0.432 253 V N 0.377 120.339 119.914 0.079 0.000 2.594 253 V HA -0.169 3.951 4.120 -0.000 0.000 0.253 253 V C 2.169 178.288 176.094 0.041 0.000 1.069 253 V CA 2.062 64.397 62.300 0.058 0.000 1.082 253 V CB -0.441 31.420 31.823 0.064 0.000 0.680 253 V HN 0.501 nan 8.190 nan 0.000 0.469 254 G N -0.208 108.616 108.800 0.041 0.000 2.607 254 G HA2 -0.207 3.753 3.960 -0.000 0.000 0.215 254 G HA3 -0.207 3.753 3.960 -0.000 0.000 0.215 254 G C 1.792 176.708 174.900 0.027 0.000 1.275 254 G CA 1.142 46.261 45.100 0.032 0.000 0.842 254 G HN 0.719 nan 8.290 nan 0.000 0.555 255 S N 1.147 116.863 115.700 0.027 0.000 2.428 255 S HA -0.274 4.196 4.470 -0.000 0.000 0.240 255 S C 2.430 177.042 174.600 0.020 0.000 1.036 255 S CA 2.452 60.666 58.200 0.023 0.000 1.009 255 S CB -0.817 62.397 63.200 0.024 0.000 0.803 255 S HN 0.749 nan 8.310 nan 0.000 0.486 256 S N 2.639 118.352 115.700 0.022 0.000 2.345 256 S HA -0.150 4.320 4.470 -0.000 0.000 0.220 256 S C 2.168 176.775 174.600 0.011 0.000 1.031 256 S CA 1.483 59.691 58.200 0.015 0.000 0.996 256 S CB -1.203 62.005 63.200 0.013 0.000 0.882 256 S HN 0.889 nan 8.310 nan 0.000 0.445 257 S N 1.075 116.783 115.700 0.013 0.000 2.345 257 S HA -0.134 4.336 4.470 -0.000 0.000 0.220 257 S C 2.122 176.729 174.600 0.012 0.000 1.031 257 S CA 1.784 59.991 58.200 0.011 0.000 0.996 257 S CB -1.965 61.243 63.200 0.014 0.000 0.882 257 S HN 0.666 nan 8.310 nan 0.000 0.445 258 T N 0.913 115.475 114.554 0.015 0.000 2.896 258 T HA -0.049 4.301 4.350 -0.000 0.000 0.270 258 T C 1.472 176.179 174.700 0.012 0.000 1.104 258 T CA 1.491 63.600 62.100 0.014 0.000 1.115 258 T CB -0.606 68.271 68.868 0.016 0.000 0.843 258 T HN 0.443 nan 8.240 nan 0.000 0.523 259 L N 0.444 121.674 121.223 0.011 0.000 2.185 259 L HA 0.068 4.408 4.340 -0.000 0.000 0.198 259 L C 3.028 179.901 176.870 0.005 0.000 1.079 259 L CA 1.160 56.005 54.840 0.008 0.000 0.780 259 L CB -0.431 41.633 42.059 0.007 0.000 0.955 259 L HN 0.365 nan 8.230 nan 0.000 0.462 260 S N -0.669 115.033 115.700 0.004 0.000 2.400 260 S HA -0.294 4.176 4.470 -0.000 0.000 0.232 260 S C 1.819 176.421 174.600 0.003 0.000 1.025 260 S CA 1.440 59.641 58.200 0.001 0.000 0.993 260 S CB -0.419 62.781 63.200 -0.001 0.000 0.808 260 S HN 0.366 nan 8.310 nan 0.000 0.478 261 Q N 2.794 122.598 119.800 0.006 0.000 1.993 261 Q HA 0.072 4.412 4.340 -0.000 0.000 0.202 261 Q C 2.265 178.269 176.000 0.007 0.000 0.984 261 Q CA 2.390 58.198 55.803 0.008 0.000 0.837 261 Q CB -1.356 27.388 28.738 0.010 0.000 0.902 261 Q HN 0.571 nan 8.270 nan 0.000 0.423 262 A N 0.587 123.412 122.820 0.008 0.000 1.908 262 A HA -0.159 4.161 4.320 -0.000 0.000 0.218 262 A C 2.281 179.867 177.584 0.003 0.000 1.181 262 A CA 1.699 53.741 52.037 0.008 0.000 0.627 262 A CB -0.912 18.094 19.000 0.010 0.000 0.818 262 A HN 0.523 nan 8.150 nan 0.000 0.445 263 I N -0.090 120.481 120.570 0.002 0.000 2.264 263 I HA -0.257 3.913 4.170 -0.000 0.000 0.248 263 I C 2.665 178.781 176.117 -0.002 0.000 1.111 263 I CA 1.372 62.672 61.300 -0.001 0.000 1.382 263 I CB -0.457 37.542 38.000 -0.002 0.000 1.060 263 I HN 0.267 nan 8.210 nan 0.000 0.418 264 S N 0.660 116.360 115.700 0.001 0.000 2.354 264 S HA -0.206 4.264 4.470 -0.000 0.000 0.219 264 S C 2.065 176.666 174.600 0.002 0.000 1.035 264 S CA 2.224 60.425 58.200 0.001 0.000 1.037 264 S CB -0.696 62.506 63.200 0.004 0.000 0.956 264 S HN 0.474 nan 8.310 nan 0.000 0.428 265 T N 3.136 117.692 114.554 0.003 0.000 2.597 265 T HA -0.171 4.179 4.350 -0.000 0.000 0.267 265 T C 1.862 176.558 174.700 -0.007 0.000 1.053 265 T CA 1.542 63.643 62.100 0.002 0.000 1.165 265 T CB -0.479 68.391 68.868 0.002 0.000 0.863 265 T HN 0.136 nan 8.240 nan 0.000 0.427 266 M N 1.100 120.694 119.600 -0.010 0.000 2.116 266 M HA -0.143 4.337 4.480 -0.000 0.000 0.255 266 M C 2.594 178.885 176.300 -0.016 0.000 1.075 266 M CA 1.898 57.187 55.300 -0.018 0.000 1.087 266 M CB -1.433 31.159 32.600 -0.014 0.000 1.340 266 M HN 0.421 nan 8.290 nan 0.000 0.402 267 A N -1.042 121.772 122.820 -0.009 0.000 1.943 267 A HA 0.276 4.596 4.320 -0.000 0.000 0.213 267 A C 2.178 179.761 177.584 -0.002 0.000 1.181 267 A CA 1.165 53.198 52.037 -0.007 0.000 0.653 267 A CB -1.073 17.923 19.000 -0.006 0.000 0.833 267 A HN 0.471 nan 8.150 nan 0.000 0.451 268 G N 0.377 109.178 108.800 0.002 0.000 2.798 268 G HA2 -0.122 3.838 3.960 -0.000 0.000 0.202 268 G HA3 -0.122 3.838 3.960 -0.000 0.000 0.202 268 G C 1.328 176.239 174.900 0.019 0.000 1.432 268 G CA 1.125 46.230 45.100 0.008 0.000 0.861 268 G HN 0.346 nan 8.290 nan 0.000 0.598 269 K N -0.383 120.037 120.400 0.033 0.000 2.148 269 K HA -0.129 4.191 4.320 -0.000 0.000 0.213 269 K C 0.718 177.385 176.600 0.111 0.000 1.050 269 K CA 1.565 57.898 56.287 0.077 0.000 0.932 269 K CB -0.144 32.409 32.500 0.088 0.000 0.717 269 K HN 0.450 nan 8.250 nan 0.000 0.462 270 D N -2.909 117.533 120.400 0.070 0.000 2.812 270 D HA -0.093 4.547 4.640 -0.000 0.000 0.181 270 D C 0.075 176.414 176.300 0.065 0.000 1.008 270 D CA 0.043 54.080 54.000 0.062 0.000 0.830 270 D CB -1.236 39.580 40.800 0.027 0.000 0.934 270 D HN -0.099 nan 8.370 nan 0.000 0.437 271 L N 0.591 121.768 121.223 -0.077 0.000 2.083 271 L HA 0.039 4.379 4.340 -0.000 0.000 0.209 271 L C 1.300 178.124 176.870 -0.077 0.000 1.083 271 L CA 1.532 56.251 54.840 -0.202 0.000 0.752 271 L CB -0.916 41.049 42.059 -0.156 0.000 0.899 271 L HN 0.475 nan 8.230 nan 0.000 0.433 272 D N -0.020 120.360 120.400 -0.034 0.000 2.419 272 D HA 0.029 4.669 4.640 -0.000 0.000 0.236 272 D C 1.376 177.679 176.300 0.005 0.000 1.165 272 D CA 0.522 54.510 54.000 -0.019 0.000 0.882 272 D CB 0.402 41.191 40.800 -0.018 0.000 1.201 272 D HN 0.240 nan 8.370 nan 0.000 0.443 273 L N 1.984 123.208 121.223 0.002 0.000 4.351 273 L HA -0.237 4.103 4.340 -0.000 0.000 0.410 273 L C 0.487 177.389 176.870 0.053 0.000 1.150 273 L CA 0.910 55.757 54.840 0.011 0.000 0.961 273 L CB -2.140 39.913 42.059 -0.011 0.000 2.130 273 L HN 0.709 nan 8.230 nan 0.000 0.787 274 I N 0.285 120.898 120.570 0.072 0.000 2.493 274 I HA -0.162 4.008 4.170 -0.000 0.000 0.254 274 I C 1.507 177.715 176.117 0.151 0.000 1.160 274 I CA 2.153 63.547 61.300 0.157 0.000 1.445 274 I CB 0.114 38.154 38.000 0.065 0.000 1.086 274 I HN 0.621 nan 8.210 nan 0.000 0.433 275 E N 1.071 121.317 120.200 0.076 0.000 2.995 275 E HA 0.334 4.684 4.350 -0.000 0.000 0.203 275 E C 0.090 176.717 176.600 0.044 0.000 0.980 275 E CA -0.356 56.083 56.400 0.066 0.000 1.172 275 E CB 0.462 30.186 29.700 0.039 0.000 1.088 275 E HN 0.483 nan 8.360 nan 0.000 0.463 276 A N 1.003 123.847 122.820 0.041 0.000 2.540 276 A HA -0.016 4.304 4.320 -0.000 0.000 0.239 276 A C 0.246 177.846 177.584 0.026 0.000 1.061 276 A CA 0.259 52.309 52.037 0.021 0.000 0.758 276 A CB 0.272 19.276 19.000 0.006 0.000 0.991 276 A HN 0.316 nan 8.150 nan 0.000 0.502 277 D N 1.738 122.150 120.400 0.019 0.000 2.564 277 D HA 0.392 5.032 4.640 -0.000 0.000 0.226 277 D C -0.177 176.134 176.300 0.018 0.000 1.149 277 D CA 0.798 54.811 54.000 0.021 0.000 0.994 277 D CB 0.103 40.914 40.800 0.020 0.000 1.029 277 D HN 0.780 nan 8.370 nan 0.000 0.517 278 T N -0.282 114.283 114.554 0.020 0.000 3.230 278 T HA 0.204 4.554 4.350 -0.000 0.000 0.390 278 T C -3.141 171.571 174.700 0.020 0.000 1.761 278 T CA -1.202 60.908 62.100 0.017 0.000 1.129 278 T CB 1.161 70.035 68.868 0.010 0.000 1.583 278 T HN -0.171 nan 8.240 nan 0.000 0.480 279 P HA 0.258 nan 4.420 nan 0.000 0.259 279 P C -0.950 176.366 177.300 0.027 0.000 1.155 279 P CA 0.325 63.442 63.100 0.029 0.000 0.759 279 P CB 0.076 31.791 31.700 0.025 0.000 0.753 280 L N 6.717 127.972 121.223 0.053 0.000 2.439 280 L HA 0.416 4.756 4.340 -0.000 0.000 0.270 280 L C -2.340 174.587 176.870 0.094 0.000 0.972 280 L CA -2.517 52.347 54.840 0.039 0.000 0.836 280 L CB 2.366 44.422 42.059 -0.004 0.000 1.255 280 L HN 0.142 nan 8.230 nan 0.000 0.404 281 P HA -0.036 nan 4.420 nan 0.000 0.264 281 P C 1.033 178.420 177.300 0.146 0.000 1.183 281 P CA -0.066 63.073 63.100 0.065 0.000 0.763 281 P CB 0.786 32.500 31.700 0.024 0.000 0.807 282 V N 2.765 122.772 119.914 0.156 0.000 2.453 282 V HA -0.293 3.827 4.120 -0.000 0.000 0.252 282 V C 2.329 178.561 176.094 0.229 0.000 1.068 282 V CA 2.594 65.030 62.300 0.226 0.000 1.070 282 V CB -1.471 30.395 31.823 0.072 0.000 0.664 282 V HN 0.735 nan 8.190 nan 0.000 0.461 283 S N 0.354 116.118 115.700 0.107 0.000 2.374 283 S HA -0.217 4.253 4.470 -0.000 0.000 0.227 283 S C 1.838 176.455 174.600 0.028 0.000 1.037 283 S CA 1.793 60.028 58.200 0.059 0.000 1.024 283 S CB -0.942 62.273 63.200 0.025 0.000 0.861 283 S HN 0.384 nan 8.310 nan 0.000 0.456 284 V N 0.324 120.216 119.914 -0.037 0.000 3.140 284 V HA -0.053 4.067 4.120 -0.000 0.000 0.269 284 V C 1.381 177.242 176.094 -0.387 0.000 1.149 284 V CA 1.384 63.549 62.300 -0.225 0.000 1.162 284 V CB -1.298 30.306 31.823 -0.365 0.000 0.756 284 V HN 0.555 nan 8.190 nan 0.000 0.523 285 F N -0.374 119.506 119.950 -0.118 0.000 2.653 285 F HA 0.155 4.682 4.527 -0.000 0.000 0.304 285 F C 1.566 177.338 175.800 -0.047 0.000 1.092 285 F CA 0.338 58.247 58.000 -0.151 0.000 1.279 285 F CB -0.503 38.394 39.000 -0.171 0.000 1.044 285 F HN 0.220 nan 8.300 nan 0.000 0.564 286 T N 0.509 115.134 114.554 0.118 0.000 3.397 286 T HA -0.204 4.146 4.350 -0.000 0.000 0.401 286 T C -2.322 172.431 174.700 0.088 0.000 0.769 286 T CA -0.418 61.732 62.100 0.084 0.000 1.981 286 T CB -2.023 66.884 68.868 0.064 0.000 1.714 286 T HN 0.132 nan 8.240 nan 0.000 0.632 287 P HA 0.408 nan 4.420 nan 0.000 0.270 287 P C -0.136 177.182 177.300 0.029 0.000 1.242 287 P CA -0.045 63.085 63.100 0.050 0.000 0.768 287 P CB 0.970 32.684 31.700 0.023 0.000 0.820 288 S N 2.951 118.666 115.700 0.024 0.000 2.618 288 S HA 0.416 4.886 4.470 -0.000 0.000 0.277 288 S C 0.008 174.611 174.600 0.005 0.000 1.138 288 S CA -0.982 57.226 58.200 0.013 0.000 0.844 288 S CB 1.326 64.537 63.200 0.018 0.000 1.127 288 S HN 0.377 nan 8.310 nan 0.000 0.474 289 L N -0.300 120.921 121.223 -0.003 0.000 3.833 289 L HA -0.130 4.210 4.340 -0.000 0.000 0.447 289 L C 0.151 177.011 176.870 -0.016 0.000 1.213 289 L CA 1.376 56.211 54.840 -0.009 0.000 0.801 289 L CB -1.667 40.389 42.059 -0.004 0.000 1.676 289 L HN 1.280 nan 8.230 nan 0.000 0.883 290 A N 2.434 125.240 122.820 -0.023 0.000 3.047 290 A HA 0.822 5.142 4.320 -0.000 0.000 0.337 290 A C -2.385 175.165 177.584 -0.056 0.000 1.143 290 A CA -0.437 51.580 52.037 -0.034 0.000 0.905 290 A CB 0.251 19.235 19.000 -0.027 0.000 1.088 290 A HN 0.405 nan 8.150 nan 0.000 0.488 291 P HA 0.422 nan 4.420 nan 0.000 0.228 291 P C -0.632 176.579 177.300 -0.149 0.000 1.714 291 P CA -0.345 62.693 63.100 -0.104 0.000 1.253 291 P CB 0.706 32.352 31.700 -0.090 0.000 1.486 292 R N 1.196 121.583 120.500 -0.188 0.000 2.539 292 R HA 0.536 4.876 4.340 -0.000 0.000 0.275 292 R C 0.801 176.783 176.300 -0.529 0.000 1.077 292 R CA -0.060 55.879 56.100 -0.268 0.000 1.097 292 R CB 0.655 30.843 30.300 -0.187 0.000 1.018 292 R HN 0.431 nan 8.270 nan 0.000 0.483 293 S N 1.445 116.843 115.700 -0.504 0.000 2.578 293 S HA 0.583 5.053 4.470 -0.000 0.000 0.301 293 S C -0.861 173.376 174.600 -0.605 0.000 1.091 293 S CA -0.762 57.085 58.200 -0.587 0.000 1.032 293 S CB 0.991 64.025 63.200 -0.276 0.000 1.064 293 S HN 0.479 nan 8.310 nan 0.000 0.508 294 Y N 0.459 120.779 120.300 0.033 0.000 3.258 294 Y HA 0.704 5.254 4.550 -0.000 0.000 0.311 294 Y C 0.818 176.767 175.900 0.081 0.000 1.587 294 Y CA -1.347 56.808 58.100 0.092 0.000 0.925 294 Y CB 0.768 39.344 38.460 0.192 0.000 1.323 294 Y HN 0.544 nan 8.280 nan 0.000 0.719 295 R N 0.744 121.465 120.500 0.369 0.000 2.714 295 R HA 0.210 4.550 4.340 -0.000 0.000 0.214 295 R C -3.145 173.246 176.300 0.152 0.000 1.474 295 R CA -1.173 55.059 56.100 0.220 0.000 1.435 295 R CB 0.770 31.232 30.300 0.271 0.000 1.517 295 R HN 0.381 nan 8.270 nan 0.000 0.748 296 P HA -0.047 nan 4.420 nan 0.000 0.281 296 P C 0.464 177.650 177.300 -0.189 0.000 1.274 296 P CA 0.595 63.683 63.100 -0.019 0.000 0.794 296 P CB 0.604 32.321 31.700 0.028 0.000 1.201 297 A N -3.202 119.508 122.820 -0.184 0.000 2.945 297 A HA -0.224 4.096 4.320 -0.000 0.000 0.263 297 A C 0.678 178.071 177.584 -0.319 0.000 1.293 297 A CA 1.689 53.561 52.037 -0.274 0.000 0.944 297 A CB -2.655 16.112 19.000 -0.388 0.000 1.093 297 A HN 0.392 nan 8.150 nan 0.000 0.786 298 F N -2.128 117.796 119.950 -0.043 0.000 2.533 298 F HA 0.349 4.876 4.527 -0.000 0.000 0.313 298 F C 0.891 176.646 175.800 -0.075 0.000 0.834 298 F CA -0.366 57.609 58.000 -0.041 0.000 1.061 298 F CB -0.100 38.892 39.000 -0.014 0.000 0.915 298 F HN 0.143 nan 8.300 nan 0.000 0.693 299 I N 2.820 123.435 120.570 0.075 0.000 2.752 299 I HA -0.071 4.099 4.170 -0.000 0.000 0.286 299 I C 0.637 176.675 176.117 -0.131 0.000 1.180 299 I CA 0.365 61.622 61.300 -0.073 0.000 1.404 299 I CB -0.041 37.814 38.000 -0.241 0.000 1.389 299 I HN -0.083 nan 8.210 nan 0.000 0.549 300 K N 9.018 129.357 120.400 -0.101 0.000 2.436 300 K HA 0.040 4.360 4.320 -0.000 0.000 0.275 300 K C -1.142 175.348 176.600 -0.185 0.000 0.999 300 K CA -1.012 55.207 56.287 -0.113 0.000 0.980 300 K CB 0.603 33.055 32.500 -0.081 0.000 0.919 300 K HN 0.378 nan 8.250 nan 0.000 0.484 301 P HA -0.245 nan 4.420 nan 0.000 0.216 301 P C 0.842 178.025 177.300 -0.195 0.000 1.150 301 P CA 1.552 64.519 63.100 -0.222 0.000 0.837 301 P CB 0.158 31.748 31.700 -0.183 0.000 0.786 302 E N 0.115 120.229 120.200 -0.142 0.000 2.358 302 E HA -0.137 4.213 4.350 -0.000 0.000 0.195 302 E C 0.829 177.361 176.600 -0.113 0.000 1.010 302 E CA 0.840 57.171 56.400 -0.115 0.000 0.856 302 E CB -0.827 28.823 29.700 -0.084 0.000 0.795 302 E HN 0.182 nan 8.360 nan 0.000 0.504 303 D N 1.140 121.463 120.400 -0.127 0.000 2.355 303 D HA 0.159 4.799 4.640 -0.000 0.000 0.218 303 D C -0.050 176.174 176.300 -0.127 0.000 1.004 303 D CA 0.819 54.756 54.000 -0.105 0.000 0.880 303 D CB 0.687 41.432 40.800 -0.091 0.000 0.911 303 D HN 0.277 nan 8.370 nan 0.000 0.528 304 A N 0.646 123.339 122.820 -0.212 0.000 2.480 304 A HA 0.105 4.425 4.320 -0.000 0.000 0.302 304 A C 0.993 178.347 177.584 -0.382 0.000 1.151 304 A CA -0.609 51.269 52.037 -0.265 0.000 0.907 304 A CB 0.670 19.429 19.000 -0.401 0.000 1.487 304 A HN -0.274 nan 8.150 nan 0.000 0.396 305 K N 1.592 121.893 120.400 -0.166 0.000 2.184 305 K HA -0.189 4.131 4.320 -0.000 0.000 0.210 305 K C 1.401 177.944 176.600 -0.095 0.000 1.048 305 K CA 2.247 58.467 56.287 -0.112 0.000 0.931 305 K CB -0.208 32.271 32.500 -0.035 0.000 0.718 305 K HN 1.012 nan 8.250 nan 0.000 0.465 306 W N 0.849 122.107 121.300 -0.071 0.000 3.435 306 W HA 0.268 4.928 4.660 -0.000 0.000 0.303 306 W C 0.020 176.501 176.519 -0.063 0.000 1.297 306 W CA -0.363 56.945 57.345 -0.062 0.000 1.638 306 W CB -0.973 28.450 29.460 -0.062 0.000 1.015 306 W HN -0.071 nan 8.180 nan 0.000 0.760 307 I N 1.423 121.740 120.570 -0.422 0.000 2.606 307 I HA 0.496 4.666 4.170 -0.000 0.000 0.275 307 I C -0.752 175.173 176.117 -0.319 0.000 1.220 307 I CA -0.272 60.761 61.300 -0.445 0.000 1.098 307 I CB 0.638 38.082 38.000 -0.926 0.000 1.321 307 I HN -0.073 nan 8.210 nan 0.000 0.468 308 A N 5.588 128.280 122.820 -0.213 0.000 2.264 308 A HA 0.820 5.140 4.320 -0.000 0.000 0.304 308 A C -0.544 176.799 177.584 -0.401 0.000 1.100 308 A CA -0.387 51.482 52.037 -0.280 0.000 0.839 308 A CB 0.954 19.802 19.000 -0.252 0.000 1.121 308 A HN 0.764 nan 8.150 nan 0.000 0.496 309 E N -0.418 119.544 120.200 -0.396 0.000 2.288 309 E HA 0.559 4.909 4.350 -0.000 0.000 0.268 309 E C -1.613 174.748 176.600 -0.399 0.000 0.885 309 E CA -0.622 55.558 56.400 -0.367 0.000 0.767 309 E CB 1.056 30.643 29.700 -0.189 0.000 1.220 309 E HN 0.305 nan 8.360 nan 0.000 0.427 310 F N 2.098 121.924 119.950 -0.207 0.000 2.666 310 F HA 0.140 4.667 4.527 -0.000 0.000 0.362 310 F C 0.090 175.814 175.800 -0.127 0.000 1.190 310 F CA -0.713 57.177 58.000 -0.183 0.000 1.328 310 F CB -0.857 38.044 39.000 -0.165 0.000 1.682 310 F HN 0.437 nan 8.300 nan 0.000 0.623 311 N N 1.617 120.317 118.700 0.001 0.000 2.498 311 N HA 0.031 4.771 4.740 -0.000 0.000 0.277 311 N C -0.572 174.939 175.510 0.003 0.000 1.208 311 N CA -0.430 52.617 53.050 -0.005 0.000 1.029 311 N CB -0.125 38.340 38.487 -0.038 0.000 1.403 311 N HN 0.343 nan 8.380 nan 0.000 0.500 312 N N 0.678 119.388 118.700 0.016 0.000 2.292 312 N HA 0.224 4.964 4.740 -0.000 0.000 0.303 312 N C -0.205 175.298 175.510 -0.011 0.000 1.140 312 N CA -0.758 52.293 53.050 0.001 0.000 0.788 312 N CB 1.784 40.274 38.487 0.004 0.000 1.361 312 N HN 0.158 nan 8.380 nan 0.000 0.489 313 S N 1.050 116.740 115.700 -0.016 0.000 2.482 313 S HA -0.164 4.306 4.470 -0.000 0.000 0.226 313 S C 1.241 175.826 174.600 -0.025 0.000 1.048 313 S CA 1.823 60.013 58.200 -0.017 0.000 1.158 313 S CB -0.557 62.633 63.200 -0.017 0.000 1.130 313 S HN 0.905 nan 8.310 nan 0.000 0.413 314 S N 1.926 117.604 115.700 -0.036 0.000 2.546 314 S HA 0.482 4.952 4.470 -0.000 0.000 0.265 314 S C 0.289 174.848 174.600 -0.069 0.000 1.190 314 S CA -0.861 57.307 58.200 -0.053 0.000 1.014 314 S CB -0.412 62.755 63.200 -0.054 0.000 1.087 314 S HN 0.364 nan 8.310 nan 0.000 0.525 315 L N -0.268 120.901 121.223 -0.090 0.000 2.439 315 L HA 0.526 4.866 4.340 -0.000 0.000 0.259 315 L C -0.204 176.603 176.870 -0.106 0.000 1.129 315 L CA -0.713 54.064 54.840 -0.105 0.000 0.803 315 L CB 0.076 42.061 42.059 -0.123 0.000 1.161 315 L HN 0.584 nan 8.230 nan 0.000 0.462 316 I N 0.903 121.394 120.570 -0.131 0.000 2.976 316 I HA 0.256 4.426 4.170 -0.000 0.000 0.328 316 I C -0.155 175.883 176.117 -0.132 0.000 1.396 316 I CA -0.379 60.837 61.300 -0.141 0.000 0.869 316 I CB 0.154 38.028 38.000 -0.210 0.000 2.156 316 I HN 0.565 nan 8.210 nan 0.000 0.595 317 R N 2.445 122.886 120.500 -0.098 0.000 2.446 317 R HA 0.158 4.498 4.340 -0.000 0.000 0.314 317 R C 0.009 176.273 176.300 -0.060 0.000 1.003 317 R CA 0.165 56.220 56.100 -0.075 0.000 1.018 317 R CB 0.448 30.713 30.300 -0.057 0.000 0.945 317 R HN 0.191 nan 8.270 nan 0.000 0.419 318 K N 1.304 121.672 120.400 -0.054 0.000 2.316 318 K HA 0.437 4.757 4.320 -0.000 0.000 0.234 318 K C -0.651 175.947 176.600 -0.004 0.000 1.054 318 K CA -0.501 55.766 56.287 -0.034 0.000 0.879 318 K CB 1.574 34.045 32.500 -0.047 0.000 1.252 318 K HN 0.560 nan 8.250 nan 0.000 0.471 319 T N -0.441 114.119 114.554 0.010 0.000 2.887 319 T HA 0.752 5.102 4.350 -0.000 0.000 0.292 319 T C -0.903 173.826 174.700 0.048 0.000 1.087 319 T CA -1.069 61.050 62.100 0.032 0.000 1.009 319 T CB 0.870 69.749 68.868 0.018 0.000 1.203 319 T HN 0.658 nan 8.240 nan 0.000 0.518 320 L N -2.114 119.153 121.223 0.073 0.000 2.787 320 L HA 0.543 4.883 4.340 -0.000 0.000 0.260 320 L C -1.349 175.593 176.870 0.120 0.000 0.921 320 L CA -0.941 53.955 54.840 0.094 0.000 0.984 320 L CB 1.467 43.593 42.059 0.113 0.000 1.519 320 L HN 0.629 nan 8.230 nan 0.000 0.452 321 T N 3.429 118.033 114.554 0.085 0.000 2.775 321 T HA 0.257 4.607 4.350 -0.000 0.000 0.287 321 T C -0.878 173.910 174.700 0.148 0.000 0.909 321 T CA 0.426 62.563 62.100 0.061 0.000 1.081 321 T CB -0.451 68.426 68.868 0.015 0.000 0.891 321 T HN 0.467 nan 8.240 nan 0.000 0.544 322 Y N 3.775 124.132 120.300 0.096 0.000 2.388 322 Y HA 0.436 4.986 4.550 -0.000 0.000 0.328 322 Y C 0.591 176.589 175.900 0.164 0.000 0.963 322 Y CA -1.044 57.156 58.100 0.167 0.000 1.240 322 Y CB 0.627 39.258 38.460 0.286 0.000 1.118 322 Y HN 0.666 nan 8.280 nan 0.000 0.484 323 S N 4.201 119.617 115.700 -0.474 0.000 3.858 323 S HA -0.139 4.331 4.470 -0.000 0.000 0.356 323 S C 1.052 175.521 174.600 -0.218 0.000 1.013 323 S CA 1.469 59.401 58.200 -0.448 0.000 1.083 323 S CB -1.617 61.123 63.200 -0.766 0.000 0.883 323 S HN 2.443 nan 8.310 nan 0.000 0.475 324 G N 0.858 109.575 108.800 -0.138 0.000 5.426 324 G HA2 -0.080 3.880 3.960 -0.000 0.000 0.297 324 G HA3 -0.080 3.880 3.960 -0.000 0.000 0.297 324 G C 0.800 175.620 174.900 -0.132 0.000 1.422 324 G CA 0.932 45.970 45.100 -0.103 0.000 0.938 324 G HN 2.247 nan 8.290 nan 0.000 0.754 325 A N 0.870 123.581 122.820 -0.181 0.000 2.603 325 A HA 0.452 4.772 4.320 -0.000 0.000 0.235 325 A C 0.710 177.994 177.584 -0.500 0.000 1.035 325 A CA 1.882 53.712 52.037 -0.345 0.000 0.755 325 A CB -0.070 18.678 19.000 -0.419 0.000 0.954 325 A HN 1.280 nan 8.150 nan 0.000 0.511 326 T N 3.326 117.606 114.554 -0.455 0.000 2.733 326 T HA 0.524 4.874 4.350 -0.000 0.000 0.294 326 T C -0.783 173.679 174.700 -0.397 0.000 0.956 326 T CA 0.359 62.271 62.100 -0.314 0.000 0.987 326 T CB -0.048 68.737 68.868 -0.139 0.000 0.920 326 T HN 0.421 nan 8.240 nan 0.000 0.470 327 Y N 0.978 121.330 120.300 0.086 0.000 2.567 327 Y HA 0.665 5.215 4.550 -0.000 0.000 0.333 327 Y C 1.001 176.929 175.900 0.047 0.000 1.106 327 Y CA -1.285 56.862 58.100 0.078 0.000 1.157 327 Y CB 1.124 39.648 38.460 0.106 0.000 1.277 327 Y HN 0.666 nan 8.280 nan 0.000 0.490 328 T N 0.909 115.595 114.554 0.220 0.000 2.833 328 T HA 0.602 4.952 4.350 -0.000 0.000 0.297 328 T C -0.647 174.099 174.700 0.076 0.000 1.015 328 T CA -0.690 61.472 62.100 0.104 0.000 0.963 328 T CB -0.086 68.818 68.868 0.059 0.000 0.955 328 T HN 0.394 nan 8.240 nan 0.000 0.449 329 V N 3.807 123.744 119.914 0.039 0.000 2.715 329 V HA 0.118 4.238 4.120 -0.000 0.000 0.299 329 V C 1.209 177.280 176.094 -0.039 0.000 1.054 329 V CA -0.256 62.042 62.300 -0.003 0.000 1.077 329 V CB 1.518 33.320 31.823 -0.035 0.000 0.972 329 V HN 1.022 nan 8.190 nan 0.000 0.484 330 Q N 1.901 121.673 119.800 -0.046 0.000 2.252 330 Q HA 0.182 4.522 4.340 -0.000 0.000 0.195 330 Q C 0.521 176.444 176.000 -0.128 0.000 0.974 330 Q CA 0.376 56.135 55.803 -0.074 0.000 0.846 330 Q CB 0.124 28.830 28.738 -0.053 0.000 0.943 330 Q HN 0.626 nan 8.270 nan 0.000 0.516 331 L N 0.028 121.169 121.223 -0.137 0.000 3.730 331 L HA -0.206 4.134 4.340 -0.000 0.000 0.410 331 L C 0.738 177.534 176.870 -0.124 0.000 1.234 331 L CA 0.565 55.291 54.840 -0.188 0.000 0.911 331 L CB -2.321 39.507 42.059 -0.384 0.000 1.942 331 L HN 0.315 nan 8.230 nan 0.000 0.860 332 G N 0.355 109.103 108.800 -0.087 0.000 3.047 332 G HA2 0.056 4.016 3.960 -0.000 0.000 0.374 332 G HA3 0.056 4.016 3.960 -0.000 0.000 0.374 332 G C -0.505 174.359 174.900 -0.059 0.000 1.277 332 G CA 0.121 45.174 45.100 -0.078 0.000 1.153 332 G HN 0.317 nan 8.290 nan 0.000 0.711 333 P HA -0.170 nan 4.420 nan 0.000 0.219 333 P C 1.407 178.707 177.300 0.001 0.000 1.161 333 P CA 1.962 65.048 63.100 -0.024 0.000 0.909 333 P CB -0.414 31.297 31.700 0.018 0.000 0.793 334 G N -0.279 108.527 108.800 0.011 0.000 2.553 334 G HA2 0.200 4.160 3.960 -0.000 0.000 0.278 334 G HA3 0.200 4.160 3.960 -0.000 0.000 0.278 334 G C -1.720 173.188 174.900 0.013 0.000 1.349 334 G CA -0.709 44.401 45.100 0.018 0.000 1.037 334 G HN 0.061 nan 8.290 nan 0.000 0.508 335 P HA 0.072 nan 4.420 nan 0.000 0.229 335 P C 0.275 177.599 177.300 0.040 0.000 1.160 335 P CA 1.348 64.458 63.100 0.017 0.000 0.777 335 P CB -0.007 31.689 31.700 -0.006 0.000 0.814 336 T N -1.250 113.321 114.554 0.029 0.000 2.713 336 T HA -0.230 4.120 4.350 -0.000 0.000 0.482 336 T C -0.117 174.605 174.700 0.037 0.000 0.789 336 T CA 0.005 62.131 62.100 0.044 0.000 2.526 336 T CB -2.074 66.845 68.868 0.085 0.000 1.658 336 T HN 0.269 nan 8.240 nan 0.000 0.523 337 R N 1.111 121.587 120.500 -0.040 0.000 2.449 337 R HA 0.461 4.801 4.340 -0.000 0.000 0.296 337 R C 0.891 177.144 176.300 -0.078 0.000 1.047 337 R CA -0.408 55.630 56.100 -0.103 0.000 1.018 337 R CB 0.702 30.925 30.300 -0.129 0.000 0.962 337 R HN 0.687 nan 8.270 nan 0.000 0.428 338 V N 0.727 120.571 119.914 -0.117 0.000 2.715 338 V HA 0.479 4.599 4.120 -0.000 0.000 0.310 338 V C 0.413 176.509 176.094 0.003 0.000 1.054 338 V CA -1.248 61.039 62.300 -0.022 0.000 0.928 338 V CB 1.720 33.554 31.823 0.018 0.000 1.007 338 V HN 0.581 nan 8.190 nan 0.000 0.437 339 I N 3.339 123.985 120.570 0.126 0.000 2.662 339 I HA 0.094 4.264 4.170 -0.000 0.000 0.285 339 I C 0.655 176.886 176.117 0.191 0.000 1.161 339 I CA 0.549 61.973 61.300 0.207 0.000 1.415 339 I CB 0.021 38.223 38.000 0.337 0.000 1.385 339 I HN 0.726 nan 8.210 nan 0.000 0.552 340 D N 6.007 126.512 120.400 0.175 0.000 2.362 340 D HA 0.100 4.740 4.640 -0.000 0.000 0.242 340 D C 0.740 177.000 176.300 -0.066 0.000 1.132 340 D CA -0.132 53.956 54.000 0.147 0.000 0.907 340 D CB 1.159 42.041 40.800 0.136 0.000 1.195 340 D HN 0.367 nan 8.370 nan 0.000 0.429 341 M N 1.138 120.581 119.600 -0.261 0.000 2.447 341 M HA 0.028 4.508 4.480 -0.000 0.000 0.266 341 M C 0.428 176.521 176.300 -0.346 0.000 1.120 341 M CA 0.397 55.407 55.300 -0.484 0.000 1.166 341 M CB -0.749 31.605 32.600 -0.410 0.000 1.349 341 M HN 0.230 nan 8.290 nan 0.000 0.463 342 N N 1.383 119.986 118.700 -0.161 0.000 2.444 342 N HA 0.273 5.013 4.740 -0.000 0.000 0.255 342 N C 0.345 175.856 175.510 0.002 0.000 1.255 342 N CA 0.593 53.626 53.050 -0.029 0.000 0.933 342 N CB 0.465 38.933 38.487 -0.032 0.000 1.143 342 N HN 0.273 nan 8.380 nan 0.000 0.453 343 A N 1.073 123.928 122.820 0.058 0.000 2.546 343 A HA -0.157 4.163 4.320 -0.000 0.000 0.295 343 A C 0.177 177.810 177.584 0.081 0.000 1.455 343 A CA 0.467 52.554 52.037 0.084 0.000 0.730 343 A CB -1.416 17.642 19.000 0.097 0.000 1.111 343 A HN 0.526 nan 8.150 nan 0.000 0.411 344 M N 0.882 120.528 119.600 0.077 0.000 4.752 344 M HA 0.169 4.649 4.480 -0.000 0.000 0.582 344 M C 0.317 176.749 176.300 0.221 0.000 2.135 344 M CA 0.109 55.428 55.300 0.032 0.000 0.515 344 M CB -0.144 32.283 32.600 -0.288 0.000 1.472 344 M HN 1.183 nan 8.290 nan 0.000 0.624 345 I N 2.076 122.749 120.570 0.172 0.000 2.755 345 I HA -0.236 3.934 4.170 -0.000 0.000 0.138 345 I C -0.022 176.205 176.117 0.182 0.000 0.888 345 I CA 0.353 61.738 61.300 0.141 0.000 2.763 345 I CB -0.793 37.236 38.000 0.048 0.000 0.573 345 I HN 0.503 nan 8.210 nan 0.000 0.352 346 D N 4.623 125.101 120.400 0.130 0.000 4.599 346 D HA -0.029 4.611 4.640 -0.000 0.000 0.245 346 D C 0.503 176.830 176.300 0.045 0.000 1.474 346 D CA 0.906 54.897 54.000 -0.015 0.000 0.960 346 D CB -0.103 40.584 40.800 -0.189 0.000 1.280 346 D HN 0.775 nan 8.370 nan 0.000 0.716 347 S N 0.771 116.554 115.700 0.138 0.000 2.694 347 S HA 0.694 5.164 4.470 -0.000 0.000 0.286 347 S C -0.061 174.563 174.600 0.040 0.000 1.080 347 S CA -0.996 57.239 58.200 0.059 0.000 0.953 347 S CB 1.293 64.514 63.200 0.035 0.000 1.313 347 S HN 0.246 nan 8.310 nan 0.000 0.555 348 V N 1.578 121.491 119.914 -0.002 0.000 2.320 348 V HA 0.382 4.502 4.120 -0.000 0.000 0.268 348 V C -0.971 175.082 176.094 -0.068 0.000 1.021 348 V CA -0.396 61.888 62.300 -0.025 0.000 0.813 348 V CB 0.192 31.996 31.823 -0.033 0.000 1.054 348 V HN 0.629 nan 8.190 nan 0.000 0.444 349 L N 3.234 124.407 121.223 -0.082 0.000 2.418 349 L HA 0.389 4.729 4.340 -0.000 0.000 0.274 349 L C 0.778 177.499 176.870 -0.250 0.000 1.135 349 L CA 0.997 55.728 54.840 -0.182 0.000 0.870 349 L CB 1.171 43.075 42.059 -0.259 0.000 1.154 349 L HN 0.606 nan 8.230 nan 0.000 0.462 350 T N 5.142 119.555 114.554 -0.235 0.000 3.068 350 T HA 0.318 4.668 4.350 -0.000 0.000 0.364 350 T C -0.817 173.723 174.700 -0.268 0.000 1.161 350 T CA -0.651 61.311 62.100 -0.230 0.000 1.155 350 T CB 0.043 68.814 68.868 -0.161 0.000 1.060 350 T HN 0.305 nan 8.240 nan 0.000 0.513 351 L N 5.803 126.859 121.223 -0.278 0.000 2.407 351 L HA 0.444 4.784 4.340 -0.000 0.000 0.282 351 L C 0.184 176.956 176.870 -0.163 0.000 1.110 351 L CA -0.039 54.684 54.840 -0.195 0.000 0.863 351 L CB 0.330 42.309 42.059 -0.134 0.000 1.207 351 L HN 0.580 nan 8.230 nan 0.000 0.454 352 D N 4.556 124.817 120.400 -0.231 0.000 2.256 352 D HA 0.183 4.823 4.640 -0.000 0.000 0.250 352 D C -1.093 175.193 176.300 -0.024 0.000 1.093 352 D CA -0.307 53.584 54.000 -0.182 0.000 0.882 352 D CB 1.639 42.210 40.800 -0.382 0.000 1.185 352 D HN 0.358 nan 8.370 nan 0.000 0.437 353 V N 3.766 123.728 119.914 0.081 0.000 2.276 353 V HA 0.271 4.391 4.120 -0.000 0.000 0.268 353 V C -0.128 176.072 176.094 0.176 0.000 1.032 353 V CA -0.575 61.762 62.300 0.060 0.000 0.810 353 V CB 0.386 32.246 31.823 0.062 0.000 1.060 353 V HN 0.630 nan 8.190 nan 0.000 0.446 354 S N 1.842 117.613 115.700 0.118 0.000 2.540 354 S HA 0.766 5.236 4.470 -0.000 0.000 0.275 354 S C 0.692 175.356 174.600 0.107 0.000 1.123 354 S CA 0.316 58.614 58.200 0.162 0.000 0.907 354 S CB 2.056 65.346 63.200 0.149 0.000 1.081 354 S HN 1.874 nan 8.310 nan 0.000 0.476 355 G N 1.352 110.228 108.800 0.126 0.000 2.257 355 G HA2 -0.271 3.689 3.960 -0.000 0.000 0.267 355 G HA3 -0.271 3.689 3.960 -0.000 0.000 0.267 355 G C 0.387 175.325 174.900 0.062 0.000 0.984 355 G CA 0.561 45.712 45.100 0.086 0.000 0.626 355 G HN 1.168 nan 8.290 nan 0.000 0.540 356 T N 2.144 116.716 114.554 0.029 0.000 2.913 356 T HA 0.482 4.832 4.350 -0.000 0.000 0.297 356 T C 1.147 175.819 174.700 -0.046 0.000 1.029 356 T CA -0.547 61.528 62.100 -0.041 0.000 1.104 356 T CB 0.369 69.154 68.868 -0.138 0.000 0.964 356 T HN 0.209 nan 8.240 nan 0.000 0.532 357 I N 3.116 123.670 120.570 -0.027 0.000 2.948 357 I HA 0.057 4.227 4.170 -0.000 0.000 0.290 357 I C 0.267 176.375 176.117 -0.014 0.000 1.226 357 I CA 0.183 61.485 61.300 0.004 0.000 1.413 357 I CB 0.561 38.570 38.000 0.015 0.000 1.352 357 I HN 0.453 nan 8.210 nan 0.000 0.597 358 L N 8.496 129.761 121.223 0.070 0.000 2.490 358 L HA 0.409 4.749 4.340 -0.000 0.000 0.261 358 L C -2.300 174.586 176.870 0.026 0.000 1.232 358 L CA -1.045 53.895 54.840 0.167 0.000 0.892 358 L CB 1.337 43.703 42.059 0.511 0.000 1.085 358 L HN 0.257 nan 8.230 nan 0.000 0.491 359 P HA -0.032 nan 4.420 nan 0.000 0.249 359 P C 0.620 178.047 177.300 0.211 0.000 1.686 359 P CA 0.193 63.356 63.100 0.105 0.000 0.873 359 P CB -0.883 30.856 31.700 0.065 0.000 1.828 360 Y N -0.174 120.172 120.300 0.075 0.000 2.639 360 Y HA -0.103 4.447 4.550 -0.000 0.000 0.297 360 Y C 1.672 177.596 175.900 0.039 0.000 1.151 360 Y CA -0.217 57.914 58.100 0.052 0.000 1.335 360 Y CB -0.789 37.721 38.460 0.083 0.000 0.994 360 Y HN 0.073 nan 8.280 nan 0.000 0.548 361 D N 1.857 122.584 120.400 0.544 0.000 2.097 361 D HA -0.177 4.463 4.640 -0.000 0.000 0.197 361 D C 1.585 177.941 176.300 0.094 0.000 0.984 361 D CA 1.993 56.117 54.000 0.207 0.000 0.826 361 D CB -0.634 40.309 40.800 0.238 0.000 0.973 361 D HN 0.492 nan 8.370 nan 0.000 0.460 362 T N 1.057 115.675 114.554 0.107 0.000 2.849 362 T HA -0.113 4.237 4.350 -0.000 0.000 0.230 362 T C 1.157 175.889 174.700 0.053 0.000 1.071 362 T CA 0.329 62.467 62.100 0.063 0.000 1.559 362 T CB -1.211 67.692 68.868 0.058 0.000 1.141 362 T HN 0.246 nan 8.240 nan 0.000 0.417 363 N N 3.898 122.631 118.700 0.056 0.000 2.412 363 N HA 0.054 4.794 4.740 -0.000 0.000 0.279 363 N C -1.864 173.669 175.510 0.039 0.000 1.287 363 N CA -1.276 51.799 53.050 0.042 0.000 0.948 363 N CB 0.863 39.368 38.487 0.031 0.000 1.255 363 N HN 0.356 nan 8.380 nan 0.000 0.485 364 P HA -0.141 nan 4.420 nan 0.000 0.225 364 P C 0.777 178.093 177.300 0.027 0.000 1.148 364 P CA 0.718 63.827 63.100 0.015 0.000 0.779 364 P CB 0.399 32.097 31.700 -0.003 0.000 0.780 365 D N 0.044 120.454 120.400 0.018 0.000 2.149 365 D HA -0.165 4.475 4.640 -0.000 0.000 0.198 365 D C 1.869 178.170 176.300 0.002 0.000 0.990 365 D CA 0.753 54.759 54.000 0.010 0.000 0.839 365 D CB -0.705 40.091 40.800 -0.008 0.000 0.948 365 D HN -0.011 nan 8.370 nan 0.000 0.460 366 L N 0.389 121.594 121.223 -0.030 0.000 2.017 366 L HA -0.021 4.319 4.340 -0.000 0.000 0.208 366 L C 1.256 178.169 176.870 0.072 0.000 1.073 366 L CA 1.000 55.772 54.840 -0.114 0.000 0.745 366 L CB -0.913 41.037 42.059 -0.181 0.000 0.894 366 L HN -0.087 nan 8.230 nan 0.000 0.432 367 S N -1.680 114.122 115.700 0.169 0.000 2.576 367 S HA 0.171 4.641 4.470 -0.000 0.000 0.272 367 S C 1.023 175.727 174.600 0.173 0.000 1.352 367 S CA 0.684 59.029 58.200 0.242 0.000 1.021 367 S CB 0.297 63.601 63.200 0.174 0.000 0.887 367 S HN 0.632 nan 8.310 nan 0.000 0.542 368 T N 0.520 115.181 114.554 0.179 0.000 7.990 368 T HA -0.190 4.160 4.350 -0.000 0.000 0.305 368 T C 0.183 174.991 174.700 0.180 0.000 2.080 368 T CA 1.397 63.589 62.100 0.154 0.000 3.423 368 T CB -2.086 66.860 68.868 0.129 0.000 1.630 368 T HN 1.293 nan 8.240 nan 0.000 0.911 369 S N 2.663 118.495 115.700 0.219 0.000 2.439 369 S HA 0.574 5.044 4.470 -0.000 0.000 0.282 369 S C 0.415 175.109 174.600 0.157 0.000 1.170 369 S CA -0.285 58.043 58.200 0.214 0.000 1.054 369 S CB 1.109 64.503 63.200 0.323 0.000 0.956 369 S HN 1.118 nan 8.310 nan 0.000 0.490 370 V N 1.783 121.662 119.914 -0.058 0.000 2.446 370 V HA 0.433 4.553 4.120 -0.000 0.000 0.276 370 V C -2.119 173.859 176.094 -0.194 0.000 1.030 370 V CA -1.975 60.255 62.300 -0.117 0.000 1.033 370 V CB -0.336 31.399 31.823 -0.147 0.000 0.993 370 V HN 0.793 nan 8.190 nan 0.000 0.477 371 P HA 0.453 nan 4.420 nan 0.000 0.268 371 P C -0.375 176.791 177.300 -0.223 0.000 1.205 371 P CA 0.248 63.104 63.100 -0.407 0.000 0.771 371 P CB 1.387 32.852 31.700 -0.391 0.000 0.858 372 A N 3.390 126.095 122.820 -0.192 0.000 2.555 372 A HA 0.434 4.754 4.320 -0.000 0.000 0.297 372 A C -1.360 176.198 177.584 -0.044 0.000 1.060 372 A CA -0.648 51.316 52.037 -0.122 0.000 0.710 372 A CB 0.632 19.487 19.000 -0.242 0.000 1.282 372 A HN 0.406 nan 8.150 nan 0.000 0.399 373 F N 3.032 122.926 119.950 -0.094 0.000 2.506 373 F HA 0.480 5.007 4.527 -0.000 0.000 0.371 373 F C 0.331 176.104 175.800 -0.044 0.000 1.078 373 F CA 0.482 58.453 58.000 -0.048 0.000 1.195 373 F CB 1.089 40.077 39.000 -0.020 0.000 1.099 373 F HN 0.795 nan 8.300 nan 0.000 0.548 374 V N 7.324 126.873 119.914 -0.608 0.000 2.638 374 V HA 0.587 4.707 4.120 -0.000 0.000 0.306 374 V C -1.244 174.589 176.094 -0.434 0.000 1.052 374 V CA -0.950 61.117 62.300 -0.389 0.000 0.885 374 V CB 1.569 33.264 31.823 -0.213 0.000 0.999 374 V HN 0.706 nan 8.190 nan 0.000 0.424 375 L N 5.792 126.878 121.223 -0.228 0.000 2.453 375 L HA 0.586 4.926 4.340 -0.000 0.000 0.261 375 L C -0.010 176.848 176.870 -0.020 0.000 1.179 375 L CA 0.292 55.066 54.840 -0.110 0.000 0.813 375 L CB 1.135 43.195 42.059 0.002 0.000 1.110 375 L HN 0.648 nan 8.230 nan 0.000 0.466 376 I N 2.240 122.853 120.570 0.070 0.000 2.540 376 I HA 0.213 4.383 4.170 -0.000 0.000 0.280 376 I C -0.666 175.577 176.117 0.211 0.000 1.083 376 I CA -0.455 60.934 61.300 0.148 0.000 1.080 376 I CB 1.538 39.676 38.000 0.231 0.000 1.205 376 I HN 0.557 nan 8.210 nan 0.000 0.459 377 Q N 5.776 125.661 119.800 0.141 0.000 2.294 377 Q HA 0.390 4.730 4.340 -0.000 0.000 0.257 377 Q C -0.538 175.579 176.000 0.195 0.000 0.955 377 Q CA -0.338 55.549 55.803 0.139 0.000 0.936 377 Q CB 1.132 29.921 28.738 0.084 0.000 1.188 377 Q HN 0.692 nan 8.270 nan 0.000 0.420 378 T N 0.737 115.463 114.554 0.286 0.000 2.895 378 T HA 0.380 4.730 4.350 -0.000 0.000 0.283 378 T C 0.663 175.522 174.700 0.265 0.000 1.014 378 T CA -0.744 61.522 62.100 0.276 0.000 1.037 378 T CB 1.831 70.913 68.868 0.356 0.000 1.006 378 T HN 0.510 nan 8.240 nan 0.000 0.468 379 S N 0.903 116.713 115.700 0.184 0.000 2.331 379 S HA 0.053 4.523 4.470 -0.000 0.000 0.208 379 S C 1.103 175.819 174.600 0.194 0.000 1.032 379 S CA 0.178 58.487 58.200 0.182 0.000 0.991 379 S CB -0.259 63.006 63.200 0.108 0.000 0.980 379 S HN 0.654 nan 8.310 nan 0.000 0.433 380 V N 4.562 124.513 119.914 0.061 0.000 2.843 380 V HA 0.124 4.244 4.120 -0.000 0.000 0.305 380 V C -2.260 173.646 176.094 -0.314 0.000 1.065 380 V CA -1.547 60.711 62.300 -0.071 0.000 1.116 380 V CB 0.351 32.144 31.823 -0.049 0.000 0.968 380 V HN 0.261 nan 8.190 nan 0.000 0.487 381 P HA 0.074 nan 4.420 nan 0.000 0.265 381 P C 0.213 177.269 177.300 -0.406 0.000 1.187 381 P CA 0.142 62.564 63.100 -1.130 0.000 0.766 381 P CB 0.409 31.574 31.700 -0.891 0.000 0.820 382 I N 2.123 122.539 120.570 -0.257 0.000 3.427 382 I HA -0.186 3.984 4.170 -0.000 0.000 0.272 382 I C 0.689 176.633 176.117 -0.288 0.000 1.285 382 I CA 0.394 61.475 61.300 -0.365 0.000 1.300 382 I CB 0.028 37.431 38.000 -0.995 0.000 1.378 382 I HN 0.535 nan 8.210 nan 0.000 0.634 383 Q N 2.180 121.823 119.800 -0.262 0.000 2.494 383 Q HA -0.303 4.037 4.340 -0.000 0.000 0.272 383 Q C 0.182 176.110 176.000 -0.121 0.000 1.145 383 Q CA 1.115 56.815 55.803 -0.173 0.000 0.943 383 Q CB -1.168 27.463 28.738 -0.177 0.000 1.338 383 Q HN 0.708 nan 8.270 nan 0.000 0.492 384 Q N -1.279 118.461 119.800 -0.100 0.000 1.321 384 Q HA 0.103 4.443 4.340 -0.000 0.000 0.129 384 Q C -1.067 174.903 176.000 -0.049 0.000 0.724 384 Q CA 0.459 56.215 55.803 -0.078 0.000 0.623 384 Q CB 0.779 29.451 28.738 -0.109 0.000 1.107 384 Q HN 0.284 nan 8.270 nan 0.000 0.324 385 V N 1.839 121.741 119.914 -0.019 0.000 2.339 385 V HA 0.351 4.471 4.120 -0.000 0.000 0.261 385 V C 0.535 176.651 176.094 0.036 0.000 1.058 385 V CA 0.780 63.100 62.300 0.035 0.000 0.897 385 V CB 1.019 32.924 31.823 0.137 0.000 1.052 385 V HN 0.424 nan 8.190 nan 0.000 0.480 386 T N 4.518 119.075 114.554 0.005 0.000 2.755 386 T HA 0.080 4.429 4.350 -0.000 0.000 0.251 386 T C 0.779 175.465 174.700 -0.024 0.000 1.044 386 T CA 1.470 63.565 62.100 -0.009 0.000 1.154 386 T CB -0.034 68.826 68.868 -0.013 0.000 0.866 386 T HN 0.881 nan 8.240 nan 0.000 0.416 387 T N -1.533 113.007 114.554 -0.024 0.000 2.916 387 T HA 0.748 5.098 4.350 -0.000 0.000 0.292 387 T C 1.367 176.045 174.700 -0.036 0.000 1.055 387 T CA -0.248 61.829 62.100 -0.037 0.000 1.009 387 T CB 1.739 70.589 68.868 -0.031 0.000 1.118 387 T HN 0.109 nan 8.240 nan 0.000 0.497 388 A N 1.606 124.396 122.820 -0.050 0.000 1.968 388 A HA -0.229 4.091 4.320 -0.000 0.000 0.227 388 A C 2.505 180.077 177.584 -0.020 0.000 1.381 388 A CA 3.138 55.149 52.037 -0.044 0.000 0.697 388 A CB -1.713 17.263 19.000 -0.041 0.000 0.836 388 A HN 1.718 nan 8.150 nan 0.000 0.497 389 A N -1.294 121.519 122.820 -0.011 0.000 2.178 389 A HA -0.168 4.152 4.320 -0.000 0.000 0.218 389 A C 1.831 179.423 177.584 0.013 0.000 1.157 389 A CA 1.643 53.681 52.037 0.001 0.000 0.689 389 A CB -0.805 18.195 19.000 0.001 0.000 0.787 389 A HN 0.795 nan 8.150 nan 0.000 0.465 390 N N -0.699 118.008 118.700 0.012 0.000 2.290 390 N HA 0.088 4.828 4.740 -0.000 0.000 0.179 390 N C 0.003 175.546 175.510 0.055 0.000 1.016 390 N CA 0.033 53.101 53.050 0.031 0.000 0.871 390 N CB -0.030 38.472 38.487 0.025 0.000 0.987 390 N HN 0.419 nan 8.380 nan 0.000 0.431 391 I N 2.024 122.618 120.570 0.041 0.000 2.471 391 I HA -0.074 4.096 4.170 -0.000 0.000 0.294 391 I C 1.288 177.442 176.117 0.062 0.000 1.123 391 I CA -0.194 61.143 61.300 0.061 0.000 1.336 391 I CB 0.873 38.880 38.000 0.011 0.000 1.430 391 I HN 0.168 nan 8.210 nan 0.000 0.533 392 T N 5.083 119.688 114.554 0.086 0.000 2.505 392 T HA -0.184 4.166 4.350 -0.000 0.000 0.259 392 T C 0.751 175.485 174.700 0.057 0.000 1.158 392 T CA 1.864 64.007 62.100 0.072 0.000 1.190 392 T CB 0.065 68.984 68.868 0.084 0.000 0.864 392 T HN 0.768 nan 8.240 nan 0.000 0.413 393 A N -0.647 122.211 122.820 0.064 0.000 2.583 393 A HA 0.767 5.087 4.320 -0.000 0.000 0.289 393 A C -1.694 175.922 177.584 0.054 0.000 1.151 393 A CA -0.757 51.311 52.037 0.053 0.000 0.695 393 A CB 1.362 20.393 19.000 0.050 0.000 1.290 393 A HN 0.371 nan 8.150 nan 0.000 0.419 394 I N 1.017 121.614 120.570 0.045 0.000 2.529 394 I HA 0.307 4.477 4.170 -0.000 0.000 0.284 394 I C -0.760 175.379 176.117 0.036 0.000 1.088 394 I CA -0.172 61.148 61.300 0.034 0.000 1.062 394 I CB 2.363 40.374 38.000 0.018 0.000 1.218 394 I HN 0.563 nan 8.210 nan 0.000 0.442 395 T N 5.331 119.902 114.554 0.027 0.000 2.767 395 T HA 0.291 4.641 4.350 -0.000 0.000 0.284 395 T C 0.123 174.822 174.700 -0.002 0.000 0.973 395 T CA -0.372 61.751 62.100 0.038 0.000 0.996 395 T CB 1.888 70.789 68.868 0.054 0.000 0.927 395 T HN 0.178 nan 8.240 nan 0.000 0.456 396 V N 5.089 125.001 119.914 -0.003 0.000 2.287 396 V HA 0.055 4.175 4.120 -0.000 0.000 0.246 396 V C 1.522 177.605 176.094 -0.019 0.000 1.165 396 V CA 0.114 62.348 62.300 -0.110 0.000 1.088 396 V CB 0.463 32.068 31.823 -0.364 0.000 1.242 396 V HN 0.823 nan 8.190 nan 0.000 0.497 397 V N 3.756 123.687 119.914 0.030 0.000 3.078 397 V HA 0.020 4.140 4.120 -0.000 0.000 0.265 397 V C 1.043 177.216 176.094 0.133 0.000 1.122 397 V CA 1.853 64.225 62.300 0.120 0.000 1.141 397 V CB 0.439 32.393 31.823 0.218 0.000 0.735 397 V HN 0.840 nan 8.190 nan 0.000 0.498 398 S N -0.844 114.908 115.700 0.087 0.000 2.240 398 S HA 0.583 5.053 4.470 -0.000 0.000 0.234 398 S C -0.501 174.102 174.600 0.004 0.000 0.850 398 S CA -0.103 58.144 58.200 0.077 0.000 1.015 398 S CB 0.118 63.392 63.200 0.123 0.000 1.268 398 S HN 0.762 nan 8.310 nan 0.000 0.384 399 A N 3.001 125.779 122.820 -0.070 0.000 2.252 399 A HA 0.937 5.257 4.320 -0.000 0.000 0.305 399 A C 0.428 177.996 177.584 -0.027 0.000 1.097 399 A CA -0.137 51.812 52.037 -0.147 0.000 0.849 399 A CB 0.830 19.600 19.000 -0.385 0.000 1.142 399 A HN 1.580 nan 8.150 nan 0.000 0.499 400 A N 0.475 123.266 122.820 -0.048 0.000 2.256 400 A HA 0.603 4.923 4.320 -0.000 0.000 0.317 400 A C 0.621 178.207 177.584 0.004 0.000 1.318 400 A CA 0.044 52.070 52.037 -0.019 0.000 0.894 400 A CB -0.146 18.826 19.000 -0.048 0.000 1.165 400 A HN 1.705 nan 8.150 nan 0.000 0.525 401 G N 1.477 110.298 108.800 0.035 0.000 2.353 401 G HA2 0.601 4.561 3.960 -0.000 0.000 0.239 401 G HA3 0.601 4.561 3.960 -0.000 0.000 0.239 401 G C 0.537 175.448 174.900 0.019 0.000 1.295 401 G CA 0.728 45.858 45.100 0.050 0.000 0.884 401 G HN 2.531 nan 8.290 nan 0.000 0.537 402 A N 1.195 124.035 122.820 0.033 0.000 2.435 402 A HA 0.290 4.610 4.320 -0.000 0.000 0.686 402 A C 0.781 178.369 177.584 0.007 0.000 0.138 402 A CA 0.217 52.267 52.037 0.021 0.000 0.025 402 A CB -1.666 17.335 19.000 0.001 0.000 3.974 402 A HN 2.614 nan 8.150 nan 0.000 0.548 403 S N 1.653 117.377 115.700 0.040 0.000 2.611 403 S HA 0.523 4.993 4.470 -0.000 0.000 0.252 403 S C 0.947 175.576 174.600 0.049 0.000 1.369 403 S CA 0.221 58.459 58.200 0.062 0.000 0.975 403 S CB 0.707 63.969 63.200 0.104 0.000 0.937 403 S HN 2.406 nan 8.310 nan 0.000 0.584 404 A N 0.513 123.411 122.820 0.130 0.000 3.056 404 A HA 0.617 4.937 4.320 -0.000 0.000 0.274 404 A C 0.296 178.041 177.584 0.269 0.000 1.661 404 A CA -0.484 51.645 52.037 0.154 0.000 1.363 404 A CB -1.399 17.854 19.000 0.421 0.000 1.139 404 A HN 1.114 nan 8.150 nan 0.000 0.598 405 I N 0.074 120.758 120.570 0.189 0.000 2.481 405 I HA 0.073 4.243 4.170 -0.000 0.000 0.304 405 I C -0.050 176.150 176.117 0.138 0.000 1.368 405 I CA 0.271 61.756 61.300 0.309 0.000 0.671 405 I CB -0.565 37.574 38.000 0.231 0.000 2.647 405 I HN 0.667 nan 8.210 nan 0.000 0.786 406 N N -0.577 118.143 118.700 0.034 0.000 1.895 406 N HA 0.068 4.808 4.740 -0.000 0.000 0.243 406 N C 0.596 176.058 175.510 -0.081 0.000 1.350 406 N CA 0.075 53.119 53.050 -0.009 0.000 0.789 406 N CB 0.518 39.001 38.487 -0.005 0.000 1.195 406 N HN 0.134 nan 8.380 nan 0.000 0.489 407 L N 1.710 122.828 121.223 -0.175 0.000 2.529 407 L HA 0.427 4.767 4.340 -0.000 0.000 0.223 407 L C 1.261 177.896 176.870 -0.393 0.000 1.113 407 L CA 0.469 55.107 54.840 -0.336 0.000 0.861 407 L CB -0.554 41.156 42.059 -0.582 0.000 1.012 407 L HN 0.134 nan 8.230 nan 0.000 0.461 408 A N 0.092 122.747 122.820 -0.274 0.000 2.251 408 A HA 0.608 4.928 4.320 -0.000 0.000 0.278 408 A C -0.068 177.465 177.584 -0.085 0.000 1.206 408 A CA -0.112 51.793 52.037 -0.221 0.000 0.822 408 A CB 0.568 19.408 19.000 -0.266 0.000 1.187 408 A HN 0.151 nan 8.150 nan 0.000 0.504 409 I N -0.209 120.337 120.570 -0.039 0.000 2.785 409 I HA 0.120 4.290 4.170 -0.000 0.000 0.277 409 I C -1.269 174.864 176.117 0.026 0.000 1.591 409 I CA -0.406 60.899 61.300 0.008 0.000 1.150 409 I CB 0.682 38.684 38.000 0.004 0.000 1.550 409 I HN 0.805 nan 8.210 nan 0.000 0.414 410 N N 5.606 124.337 118.700 0.052 0.000 2.452 410 N HA 0.317 5.057 4.740 -0.000 0.000 0.266 410 N C -0.372 175.165 175.510 0.045 0.000 1.209 410 N CA 0.048 53.134 53.050 0.060 0.000 0.929 410 N CB 1.003 39.537 38.487 0.077 0.000 1.063 410 N HN 0.401 nan 8.380 nan 0.000 0.472 411 V N 4.817 124.757 119.914 0.043 0.000 2.759 411 V HA 0.358 4.478 4.120 -0.000 0.000 0.342 411 V C -0.114 176.002 176.094 0.037 0.000 1.228 411 V CA -0.381 61.942 62.300 0.037 0.000 1.302 411 V CB -1.068 30.777 31.823 0.037 0.000 1.496 411 V HN 0.903 nan 8.190 nan 0.000 0.628 412 R N 0.567 121.091 120.500 0.039 0.000 2.591 412 R HA -0.067 4.273 4.340 -0.000 0.000 0.306 412 R C 1.052 177.378 176.300 0.042 0.000 1.014 412 R CA 0.272 56.394 56.100 0.036 0.000 0.616 412 R CB -1.461 28.857 30.300 0.030 0.000 1.598 412 R HN 0.949 nan 8.270 nan 0.000 0.400 413 G N 0.824 109.655 108.800 0.051 0.000 5.229 413 G HA2 -0.435 3.525 3.960 -0.000 0.000 0.250 413 G HA3 -0.435 3.525 3.960 -0.000 0.000 0.250 413 G C 0.203 175.148 174.900 0.075 0.000 1.380 413 G CA 0.448 45.584 45.100 0.060 0.000 0.933 413 G HN 0.452 nan 8.290 nan 0.000 0.731 414 Q N 3.267 123.103 119.800 0.061 0.000 2.364 414 Q HA 0.245 4.585 4.340 -0.000 0.000 0.263 414 Q C -2.086 173.943 176.000 0.049 0.000 1.276 414 Q CA -0.760 55.077 55.803 0.057 0.000 0.923 414 Q CB 0.400 29.165 28.738 0.045 0.000 1.477 414 Q HN 0.443 nan 8.270 nan 0.000 0.484 415 P HA -0.018 nan 4.420 nan 0.000 0.267 415 P C -0.454 176.843 177.300 -0.005 0.000 1.209 415 P CA 0.242 63.333 63.100 -0.016 0.000 0.763 415 P CB 0.763 32.369 31.700 -0.157 0.000 0.816 416 R N 2.694 123.218 120.500 0.041 0.000 2.602 416 R HA 0.483 4.823 4.340 -0.000 0.000 0.237 416 R C 0.096 176.529 176.300 0.221 0.000 1.219 416 R CA -0.848 55.325 56.100 0.122 0.000 1.121 416 R CB 0.186 30.542 30.300 0.094 0.000 1.408 416 R HN 0.425 nan 8.270 nan 0.000 0.559 417 F N 0.782 120.713 119.950 -0.031 0.000 2.404 417 F HA 0.265 4.792 4.527 -0.000 0.000 0.354 417 F C 0.883 176.674 175.800 -0.015 0.000 1.122 417 F CA -0.443 57.540 58.000 -0.029 0.000 1.080 417 F CB 1.002 39.990 39.000 -0.020 0.000 1.131 417 F HN 0.264 nan 8.300 nan 0.000 0.471 418 N N 5.288 123.979 118.700 -0.015 0.000 2.414 418 N HA -0.028 4.712 4.740 -0.000 0.000 0.268 418 N C 0.242 175.771 175.510 0.033 0.000 1.286 418 N CA -0.273 52.771 53.050 -0.010 0.000 0.896 418 N CB 0.440 38.886 38.487 -0.068 0.000 1.093 418 N HN 0.527 nan 8.380 nan 0.000 0.480 419 M N 4.908 124.543 119.600 0.058 0.000 2.563 419 M HA -0.111 4.369 4.480 -0.000 0.000 0.423 419 M C -1.025 175.293 176.300 0.029 0.000 1.706 419 M CA 1.011 56.357 55.300 0.076 0.000 1.001 419 M CB -0.953 31.676 32.600 0.048 0.000 2.123 419 M HN 0.462 nan 8.290 nan 0.000 0.494 420 L N 3.946 125.231 121.223 0.102 0.000 2.409 420 L HA 0.606 4.946 4.340 -0.000 0.000 0.262 420 L C -1.411 175.604 176.870 0.241 0.000 0.992 420 L CA -0.673 54.199 54.840 0.054 0.000 0.817 420 L CB 2.116 44.190 42.059 0.025 0.000 1.350 420 L HN 0.504 nan 8.230 nan 0.000 0.411 421 H N 3.366 122.436 119.070 -0.000 0.000 2.685 421 H HA 0.556 5.112 4.556 -0.000 0.000 0.307 421 H C -0.718 174.598 175.328 -0.021 0.000 1.017 421 H CA -0.970 55.070 56.048 -0.014 0.000 1.237 421 H CB 1.211 30.957 29.762 -0.026 0.000 1.409 421 H HN 0.511 nan 8.280 nan 0.000 0.488 422 L N 2.659 123.935 121.223 0.089 0.000 2.475 422 L HA 0.280 4.620 4.340 -0.000 0.000 0.253 422 L C 0.152 177.006 176.870 -0.027 0.000 1.198 422 L CA -0.472 54.394 54.840 0.042 0.000 0.814 422 L CB 0.298 42.392 42.059 0.059 0.000 1.134 422 L HN 0.684 nan 8.230 nan 0.000 0.478 423 Q N 0.309 120.085 119.800 -0.039 0.000 2.613 423 Q HA 0.606 4.946 4.340 -0.000 0.000 0.231 423 Q C -1.779 174.182 176.000 -0.064 0.000 0.879 423 Q CA -0.623 55.107 55.803 -0.121 0.000 1.083 423 Q CB 0.875 29.576 28.738 -0.061 0.000 1.588 423 Q HN 0.754 nan 8.270 nan 0.000 0.500 424 A N 1.748 124.493 122.820 -0.126 0.000 2.257 424 A HA 0.867 5.187 4.320 -0.000 0.000 0.290 424 A C 0.050 177.649 177.584 0.025 0.000 1.201 424 A CA -0.239 51.821 52.037 0.039 0.000 0.863 424 A CB 1.183 20.304 19.000 0.203 0.000 1.256 424 A HN 0.719 nan 8.150 nan 0.000 0.506 425 T N 0.610 115.216 114.554 0.086 0.000 3.816 425 T HA 0.228 4.578 4.350 -0.000 0.000 0.232 425 T C -0.542 174.210 174.700 0.087 0.000 1.125 425 T CA -0.219 61.917 62.100 0.059 0.000 1.609 425 T CB -0.671 68.210 68.868 0.022 0.000 0.805 425 T HN 0.500 nan 8.240 nan 0.000 0.647 426 F N 3.196 123.162 119.950 0.027 0.000 2.635 426 F HA 0.209 4.736 4.527 -0.000 0.000 0.379 426 F C 0.183 175.994 175.800 0.018 0.000 1.094 426 F CA 0.256 58.281 58.000 0.041 0.000 1.300 426 F CB 0.560 39.594 39.000 0.056 0.000 1.035 426 F HN 0.152 nan 8.300 nan 0.000 0.581 427 E N 6.776 126.287 120.200 -1.147 0.000 2.255 427 E HA 0.197 4.547 4.350 -0.000 0.000 0.256 427 E C 0.839 176.851 176.600 -0.980 0.000 0.887 427 E CA -0.606 55.295 56.400 -0.831 0.000 0.782 427 E CB 1.525 31.002 29.700 -0.371 0.000 1.214 427 E HN 0.705 nan 8.360 nan 0.000 0.417 428 R N 1.842 121.909 120.500 -0.722 0.000 2.327 428 R HA -0.312 4.028 4.340 -0.000 0.000 0.239 428 R C 1.599 177.785 176.300 -0.191 0.000 1.085 428 R CA 2.797 58.717 56.100 -0.300 0.000 0.890 428 R CB -0.265 29.966 30.300 -0.114 0.000 0.983 428 R HN 0.699 nan 8.270 nan 0.000 0.419 429 E N -0.057 120.040 120.200 -0.172 0.000 2.299 429 E HA -0.081 4.269 4.350 -0.000 0.000 0.193 429 E C 1.495 178.044 176.600 -0.085 0.000 0.998 429 E CA 1.347 57.691 56.400 -0.093 0.000 0.851 429 E CB -0.228 29.430 29.700 -0.071 0.000 0.795 429 E HN 0.491 nan 8.360 nan 0.000 0.492 430 T N -0.432 114.040 114.554 -0.137 0.000 2.946 430 T HA -0.075 4.275 4.350 -0.000 0.000 0.271 430 T C 1.523 176.224 174.700 0.002 0.000 1.104 430 T CA 0.722 62.781 62.100 -0.068 0.000 1.114 430 T CB -0.332 68.486 68.868 -0.084 0.000 0.867 430 T HN 0.229 nan 8.240 nan 0.000 0.513 431 I N 2.078 122.668 120.570 0.032 0.000 3.731 431 I HA 0.142 4.312 4.170 -0.000 0.000 0.341 431 I C -0.023 176.113 176.117 0.032 0.000 1.532 431 I CA -0.422 60.932 61.300 0.090 0.000 1.163 431 I CB -0.110 38.030 38.000 0.232 0.000 1.339 431 I HN 0.165 nan 8.210 nan 0.000 0.449 432 T N 0.701 115.256 114.554 0.002 0.000 2.930 432 T HA 0.301 4.651 4.350 -0.000 0.000 0.306 432 T C 1.299 175.986 174.700 -0.022 0.000 1.045 432 T CA 0.800 62.893 62.100 -0.012 0.000 1.134 432 T CB 1.421 70.279 68.868 -0.016 0.000 0.961 432 T HN 0.692 nan 8.240 nan 0.000 0.545 433 G N 2.980 111.759 108.800 -0.036 0.000 4.754 433 G HA2 -0.296 3.664 3.960 -0.000 0.000 0.222 433 G HA3 -0.296 3.664 3.960 -0.000 0.000 0.222 433 G C 0.510 175.357 174.900 -0.087 0.000 1.377 433 G CA 0.004 45.074 45.100 -0.051 0.000 0.942 433 G HN 0.814 nan 8.290 nan 0.000 0.671 434 I N 3.771 124.297 120.570 -0.073 0.000 3.683 434 I HA -0.100 4.070 4.170 -0.000 0.000 0.302 434 I C -0.549 175.441 176.117 -0.212 0.000 1.225 434 I CA 0.327 61.566 61.300 -0.101 0.000 1.536 434 I CB 0.038 38.009 38.000 -0.049 0.000 1.561 434 I HN 0.211 nan 8.210 nan 0.000 0.666 435 P HA -0.145 nan 4.420 nan 0.000 0.215 435 P C -0.544 176.162 177.300 -0.989 0.000 1.153 435 P CA 1.594 64.232 63.100 -0.769 0.000 0.853 435 P CB 0.121 31.166 31.700 -1.093 0.000 0.788 436 Y N -1.086 119.174 120.300 -0.066 0.000 2.338 436 Y HA 0.664 5.214 4.550 -0.000 0.000 0.333 436 Y C 0.039 175.776 175.900 -0.271 0.000 0.968 436 Y CA -1.232 56.773 58.100 -0.158 0.000 1.123 436 Y CB 1.513 40.009 38.460 0.060 0.000 1.165 436 Y HN -0.223 nan 8.280 nan 0.000 0.452 437 I N 3.316 123.531 120.570 -0.592 0.000 2.753 437 I HA 0.522 4.692 4.170 -0.000 0.000 0.291 437 I C -2.225 173.349 176.117 -0.906 0.000 1.425 437 I CA -0.710 60.313 61.300 -0.461 0.000 1.039 437 I CB 1.859 39.752 38.000 -0.178 0.000 1.349 437 I HN 0.591 nan 8.210 nan 0.000 0.430 438 Y N 4.518 124.834 120.300 0.028 0.000 2.492 438 Y HA 0.668 5.218 4.550 -0.000 0.000 0.346 438 Y C 0.463 176.341 175.900 -0.037 0.000 0.997 438 Y CA -0.970 57.121 58.100 -0.016 0.000 1.025 438 Y CB 2.118 40.552 38.460 -0.044 0.000 1.263 438 Y HN 0.559 nan 8.280 nan 0.000 0.454 439 G N 2.831 111.687 108.800 0.092 0.000 2.353 439 G HA2 0.546 4.506 3.960 -0.000 0.000 0.284 439 G HA3 0.546 4.506 3.960 -0.000 0.000 0.284 439 G C -1.412 173.430 174.900 -0.096 0.000 1.172 439 G CA -0.492 44.580 45.100 -0.047 0.000 0.854 439 G HN 0.624 nan 8.290 nan 0.000 0.485 440 L N 2.719 123.664 121.223 -0.463 0.000 2.439 440 L HA 0.581 4.921 4.340 -0.000 0.000 0.270 440 L C 0.392 177.070 176.870 -0.320 0.000 0.972 440 L CA -0.966 53.757 54.840 -0.195 0.000 0.836 440 L CB 2.040 44.075 42.059 -0.039 0.000 1.255 440 L HN 0.629 nan 8.230 nan 0.000 0.404 441 G N 2.228 111.053 108.800 0.041 0.000 3.161 441 G HA2 0.282 4.242 3.960 -0.000 0.000 0.293 441 G HA3 0.282 4.242 3.960 -0.000 0.000 0.293 441 G C 0.100 175.016 174.900 0.027 0.000 0.893 441 G CA -0.000 45.198 45.100 0.164 0.000 1.756 441 G HN 0.585 nan 8.290 nan 0.000 0.549 442 T N 0.271 114.806 114.554 -0.031 0.000 3.204 442 T HA 0.446 4.796 4.350 -0.000 0.000 0.312 442 T C 0.717 175.424 174.700 0.013 0.000 1.254 442 T CA -0.217 61.893 62.100 0.017 0.000 0.913 442 T CB 0.629 69.503 68.868 0.009 0.000 2.143 442 T HN 0.147 nan 8.240 nan 0.000 0.569 443 F N -0.629 119.297 119.950 -0.041 0.000 2.667 443 F HA 0.529 5.056 4.527 -0.000 0.000 0.288 443 F C 0.422 176.181 175.800 -0.069 0.000 1.086 443 F CA -0.202 57.784 58.000 -0.024 0.000 1.297 443 F CB 0.446 39.448 39.000 0.004 0.000 1.059 443 F HN 0.335 nan 8.300 nan 0.000 0.624 444 L N 2.232 123.525 121.223 0.117 0.000 3.523 444 L HA -0.217 4.123 4.340 -0.000 0.000 0.668 444 L C -0.894 176.028 176.870 0.087 0.000 1.211 444 L CA -0.114 54.735 54.840 0.015 0.000 1.096 444 L CB -1.517 40.396 42.059 -0.242 0.000 1.617 444 L HN 0.025 nan 8.230 nan 0.000 0.873 445 I N 3.500 124.175 120.570 0.174 0.000 2.556 445 I HA 0.088 4.258 4.170 -0.000 0.000 0.284 445 I C -0.627 175.667 176.117 0.296 0.000 1.114 445 I CA -1.439 59.975 61.300 0.190 0.000 1.418 445 I CB 0.698 38.757 38.000 0.098 0.000 1.394 445 I HN 0.168 nan 8.210 nan 0.000 0.552 446 P HA -0.039 nan 4.420 nan 0.000 0.245 446 P C -0.214 177.177 177.300 0.152 0.000 1.212 446 P CA 0.530 63.853 63.100 0.371 0.000 0.774 446 P CB 0.240 32.149 31.700 0.348 0.000 0.999 447 S N -1.413 114.358 115.700 0.117 0.000 2.305 447 S HA 0.245 4.715 4.470 -0.000 0.000 0.208 447 S C -3.200 171.422 174.600 0.038 0.000 0.797 447 S CA -1.218 57.017 58.200 0.059 0.000 1.007 447 S CB 0.188 63.415 63.200 0.045 0.000 1.334 447 S HN -0.088 nan 8.310 nan 0.000 0.380 448 P HA 0.320 nan 4.420 nan 0.000 0.265 448 P C -0.312 176.981 177.300 -0.013 0.000 1.193 448 P CA 0.469 63.567 63.100 -0.003 0.000 0.765 448 P CB 0.795 32.486 31.700 -0.014 0.000 0.823 449 T N 1.123 115.663 114.554 -0.023 0.000 2.804 449 T HA 0.216 4.566 4.350 -0.000 0.000 0.290 449 T C 1.414 176.093 174.700 -0.036 0.000 1.099 449 T CA -0.377 61.711 62.100 -0.020 0.000 1.011 449 T CB 1.021 69.888 68.868 -0.003 0.000 1.291 449 T HN 0.151 nan 8.240 nan 0.000 0.523 450 S N 1.199 116.888 115.700 -0.019 0.000 2.399 450 S HA -0.127 4.343 4.470 -0.000 0.000 0.231 450 S C 2.360 176.975 174.600 0.024 0.000 1.022 450 S CA 1.524 59.715 58.200 -0.015 0.000 0.983 450 S CB -0.422 62.791 63.200 0.023 0.000 0.803 450 S HN 0.813 nan 8.310 nan 0.000 0.480 451 S N 1.557 117.282 115.700 0.041 0.000 2.368 451 S HA -0.019 4.451 4.470 -0.000 0.000 0.225 451 S C 1.273 175.915 174.600 0.071 0.000 1.030 451 S CA 0.871 59.118 58.200 0.079 0.000 0.999 451 S CB -0.409 62.820 63.200 0.048 0.000 0.844 451 S HN 0.276 nan 8.310 nan 0.000 0.459 452 S N 2.442 118.137 115.700 -0.008 0.000 3.513 452 S HA 0.350 4.820 4.470 -0.000 0.000 0.209 452 S C 0.447 174.962 174.600 -0.140 0.000 1.446 452 S CA -0.547 57.623 58.200 -0.050 0.000 1.150 452 S CB -0.465 62.692 63.200 -0.072 0.000 1.266 452 S HN 0.426 nan 8.310 nan 0.000 0.502 453 N N 0.417 118.963 118.700 -0.257 0.000 2.197 453 N HA 0.210 4.950 4.740 -0.000 0.000 0.201 453 N C -0.380 174.531 175.510 -0.998 0.000 1.148 453 N CA 0.449 53.095 53.050 -0.672 0.000 0.883 453 N CB 0.429 38.359 38.487 -0.928 0.000 1.012 453 N HN 0.431 nan 8.380 nan 0.000 0.507 454 F N -1.219 118.715 119.950 -0.027 0.000 2.936 454 F HA 0.393 4.920 4.527 -0.000 0.000 0.334 454 F C 1.652 177.435 175.800 -0.027 0.000 1.170 454 F CA -0.342 57.644 58.000 -0.023 0.000 1.104 454 F CB 0.150 39.141 39.000 -0.016 0.000 1.216 454 F HN -0.213 nan 8.300 nan 0.000 0.518 455 S N 0.129 115.874 115.700 0.076 0.000 2.327 455 S HA -0.063 4.407 4.470 -0.000 0.000 0.213 455 S C 0.457 175.050 174.600 -0.011 0.000 1.032 455 S CA 0.789 59.003 58.200 0.023 0.000 0.960 455 S CB -0.393 62.784 63.200 -0.037 0.000 0.900 455 S HN 0.534 nan 8.310 nan 0.000 0.469 456 N N 0.920 119.594 118.700 -0.043 0.000 2.469 456 N HA -0.090 4.650 4.740 -0.000 0.000 0.283 456 N C -2.856 172.637 175.510 -0.028 0.000 1.326 456 N CA 0.187 53.216 53.050 -0.035 0.000 0.646 456 N CB 0.110 38.590 38.487 -0.012 0.000 0.894 456 N HN 0.168 nan 8.380 nan 0.000 0.533 457 P HA -0.022 nan 4.420 nan 0.000 0.269 457 P C 0.085 177.521 177.300 0.227 0.000 1.461 457 P CA 0.377 63.514 63.100 0.062 0.000 0.809 457 P CB 0.007 31.730 31.700 0.038 0.000 1.503 458 T N 0.885 115.489 114.554 0.084 0.000 2.784 458 T HA 0.104 4.454 4.350 -0.000 0.000 0.291 458 T C 1.080 175.794 174.700 0.022 0.000 0.942 458 T CA -0.193 61.934 62.100 0.046 0.000 1.161 458 T CB -0.309 68.552 68.868 -0.011 0.000 0.885 458 T HN 0.031 nan 8.240 nan 0.000 0.534 459 L N 5.630 126.858 121.223 0.008 0.000 2.627 459 L HA 0.091 4.431 4.340 -0.000 0.000 0.232 459 L C 2.021 178.835 176.870 -0.092 0.000 1.150 459 L CA -0.226 54.562 54.840 -0.087 0.000 0.917 459 L CB -0.233 41.727 42.059 -0.165 0.000 1.104 459 L HN 0.674 nan 8.230 nan 0.000 0.445 460 M N -0.049 119.508 119.600 -0.073 0.000 2.460 460 M HA -0.142 4.338 4.480 -0.000 0.000 0.263 460 M C 1.705 177.893 176.300 -0.187 0.000 1.071 460 M CA 1.048 56.300 55.300 -0.080 0.000 1.096 460 M CB -0.898 31.658 32.600 -0.072 0.000 1.408 460 M HN 0.343 nan 8.290 nan 0.000 0.463 461 D N -0.042 120.194 120.400 -0.274 0.000 2.351 461 D HA -0.046 4.594 4.640 -0.000 0.000 0.216 461 D C 0.977 177.180 176.300 -0.162 0.000 0.968 461 D CA 0.533 54.306 54.000 -0.378 0.000 0.899 461 D CB -0.639 39.980 40.800 -0.303 0.000 0.907 461 D HN 0.258 nan 8.370 nan 0.000 0.514 462 G N 0.297 109.026 108.800 -0.119 0.000 2.572 462 G HA2 0.331 4.291 3.960 -0.000 0.000 0.261 462 G HA3 0.331 4.291 3.960 -0.000 0.000 0.261 462 G C -0.384 174.500 174.900 -0.026 0.000 1.197 462 G CA -0.812 44.248 45.100 -0.066 0.000 0.870 462 G HN 0.331 nan 8.290 nan 0.000 0.548 463 L N 1.687 122.899 121.223 -0.019 0.000 2.404 463 L HA 0.313 4.653 4.340 -0.000 0.000 0.277 463 L C 0.209 177.037 176.870 -0.070 0.000 1.184 463 L CA -0.828 54.002 54.840 -0.016 0.000 1.013 463 L CB -0.092 41.955 42.059 -0.020 0.000 1.318 463 L HN 0.438 nan 8.230 nan 0.000 0.435 464 L N 4.360 125.570 121.223 -0.022 0.000 2.416 464 L HA 0.326 4.666 4.340 -0.000 0.000 0.272 464 L C -0.240 176.544 176.870 -0.142 0.000 1.161 464 L CA 0.760 55.566 54.840 -0.056 0.000 0.845 464 L CB 1.205 43.308 42.059 0.073 0.000 1.119 464 L HN 0.443 nan 8.230 nan 0.000 0.464 465 T N 5.461 119.891 114.554 -0.207 0.000 3.064 465 T HA 0.288 4.638 4.350 -0.000 0.000 0.367 465 T C -0.532 174.030 174.700 -0.231 0.000 1.202 465 T CA -0.299 61.642 62.100 -0.265 0.000 1.133 465 T CB 0.721 69.450 68.868 -0.232 0.000 1.074 465 T HN 0.656 nan 8.240 nan 0.000 0.519 466 V N 4.200 123.962 119.914 -0.254 0.000 2.614 466 V HA 0.696 4.816 4.120 -0.000 0.000 0.291 466 V C 0.038 176.029 176.094 -0.172 0.000 1.049 466 V CA 0.079 62.270 62.300 -0.181 0.000 1.038 466 V CB 0.880 32.604 31.823 -0.165 0.000 0.980 466 V HN 0.932 nan 8.190 nan 0.000 0.481 467 T N 5.822 120.306 114.554 -0.116 0.000 2.963 467 T HA 0.490 4.840 4.350 -0.000 0.000 0.328 467 T C -2.678 171.986 174.700 -0.061 0.000 1.048 467 T CA -1.732 60.313 62.100 -0.091 0.000 1.033 467 T CB 1.208 70.029 68.868 -0.078 0.000 1.010 467 T HN 0.720 nan 8.240 nan 0.000 0.469 468 P HA 0.004 nan 4.420 nan 0.000 0.256 468 P C 0.161 177.445 177.300 -0.027 0.000 1.173 468 P CA -0.045 63.033 63.100 -0.036 0.000 0.768 468 P CB 0.797 32.473 31.700 -0.040 0.000 0.758 469 V N 7.141 127.044 119.914 -0.018 0.000 2.219 469 V HA 0.320 4.440 4.120 -0.000 0.000 0.267 469 V C -0.237 175.845 176.094 -0.020 0.000 1.266 469 V CA -0.267 62.020 62.300 -0.020 0.000 1.270 469 V CB -0.838 30.973 31.823 -0.021 0.000 1.356 469 V HN 0.515 nan 8.190 nan 0.000 0.490 470 L N 5.266 126.479 121.223 -0.016 0.000 4.450 470 L HA 0.027 4.367 4.340 -0.000 0.000 0.217 470 L C 0.377 177.242 176.870 -0.009 0.000 1.090 470 L CA -0.096 54.736 54.840 -0.014 0.000 1.395 470 L CB 0.167 42.215 42.059 -0.019 0.000 1.704 470 L HN 0.302 nan 8.230 nan 0.000 0.713 471 L N 1.645 122.863 121.223 -0.007 0.000 2.021 471 L HA -0.259 4.081 4.340 -0.000 0.000 0.215 471 L C 2.578 179.450 176.870 0.002 0.000 1.074 471 L CA 2.720 57.558 54.840 -0.003 0.000 0.760 471 L CB -0.704 41.357 42.059 0.003 0.000 0.889 471 L HN 0.709 nan 8.230 nan 0.000 0.433 472 R N 0.572 121.076 120.500 0.005 0.000 2.153 472 R HA -0.171 4.169 4.340 -0.000 0.000 0.252 472 R C 0.469 176.776 176.300 0.011 0.000 1.158 472 R CA 1.160 57.267 56.100 0.011 0.000 0.975 472 R CB -0.642 29.662 30.300 0.008 0.000 0.871 472 R HN 0.459 nan 8.270 nan 0.000 0.450 473 E N 1.319 121.522 120.200 0.006 0.000 2.146 473 E HA 0.139 4.489 4.350 -0.000 0.000 0.282 473 E C -0.713 175.889 176.600 0.004 0.000 0.989 473 E CA -0.266 56.140 56.400 0.010 0.000 0.799 473 E CB 1.879 31.587 29.700 0.013 0.000 1.088 473 E HN 0.092 nan 8.360 nan 0.000 0.397 474 T N 1.492 116.047 114.554 0.002 0.000 2.893 474 T HA 0.437 4.787 4.350 -0.000 0.000 0.279 474 T C -0.478 174.235 174.700 0.023 0.000 0.991 474 T CA -0.215 61.878 62.100 -0.012 0.000 0.950 474 T CB 1.397 70.233 68.868 -0.053 0.000 1.223 474 T HN 0.320 nan 8.240 nan 0.000 0.585 475 T N 1.750 116.326 114.554 0.038 0.000 2.916 475 T HA 0.558 4.908 4.350 -0.000 0.000 0.298 475 T C -2.090 172.725 174.700 0.193 0.000 1.031 475 T CA -0.335 61.819 62.100 0.090 0.000 0.993 475 T CB 1.067 69.971 68.868 0.061 0.000 1.045 475 T HN 0.491 nan 8.240 nan 0.000 0.454 476 Y N 2.740 123.049 120.300 0.016 0.000 2.361 476 Y HA 0.367 4.917 4.550 -0.000 0.000 0.328 476 Y C 0.116 176.038 175.900 0.036 0.000 1.044 476 Y CA -1.398 56.714 58.100 0.020 0.000 1.085 476 Y CB 0.959 39.422 38.460 0.005 0.000 1.194 476 Y HN 0.574 nan 8.280 nan 0.000 0.438 477 K N 3.852 123.931 120.400 -0.535 0.000 3.130 477 K HA -0.214 4.106 4.320 -0.000 0.000 0.282 477 K C 0.830 177.340 176.600 -0.150 0.000 1.145 477 K CA 1.337 57.360 56.287 -0.440 0.000 0.831 477 K CB -1.672 30.487 32.500 -0.569 0.000 1.226 477 K HN 1.590 nan 8.250 nan 0.000 0.478 478 G N -0.833 107.945 108.800 -0.036 0.000 2.201 478 G HA2 -0.244 3.716 3.960 -0.000 0.000 0.212 478 G HA3 -0.244 3.716 3.960 -0.000 0.000 0.212 478 G C -0.175 174.750 174.900 0.042 0.000 0.994 478 G CA 0.307 45.422 45.100 0.026 0.000 0.644 478 G HN 0.326 nan 8.290 nan 0.000 0.508 479 E N -0.433 119.792 120.200 0.042 0.000 2.221 479 E HA 0.665 5.015 4.350 -0.000 0.000 0.268 479 E C -0.003 176.643 176.600 0.078 0.000 0.933 479 E CA -0.613 55.821 56.400 0.057 0.000 0.809 479 E CB 2.360 32.092 29.700 0.052 0.000 1.190 479 E HN 0.221 nan 8.360 nan 0.000 0.406 480 V N 2.776 122.731 119.914 0.068 0.000 2.407 480 V HA 0.440 4.560 4.120 -0.000 0.000 0.278 480 V C -0.138 175.991 176.094 0.058 0.000 1.037 480 V CA -0.417 61.922 62.300 0.066 0.000 0.900 480 V CB 0.939 32.800 31.823 0.064 0.000 0.983 480 V HN 0.435 nan 8.190 nan 0.000 0.459 481 V N 3.065 123.013 119.914 0.056 0.000 3.119 481 V HA 0.546 4.666 4.120 -0.000 0.000 0.311 481 V C 0.125 176.239 176.094 0.033 0.000 1.259 481 V CA -0.650 61.679 62.300 0.047 0.000 1.067 481 V CB 2.420 34.278 31.823 0.060 0.000 1.123 481 V HN 0.768 nan 8.190 nan 0.000 0.463 482 D N 0.002 120.420 120.400 0.031 0.000 2.474 482 D HA 0.488 5.128 4.640 -0.000 0.000 0.213 482 D C 0.095 176.418 176.300 0.037 0.000 1.120 482 D CA 0.749 54.766 54.000 0.029 0.000 0.836 482 D CB 1.790 42.605 40.800 0.025 0.000 1.019 482 D HN 0.677 nan 8.370 nan 0.000 0.507 483 A N 0.747 123.589 122.820 0.038 0.000 2.549 483 A HA 0.643 4.963 4.320 -0.000 0.000 0.297 483 A C -0.734 176.870 177.584 0.033 0.000 1.061 483 A CA -0.558 51.510 52.037 0.052 0.000 0.690 483 A CB 1.465 20.494 19.000 0.047 0.000 1.287 483 A HN -0.023 nan 8.150 nan 0.000 0.402 484 I N 0.273 120.874 120.570 0.051 0.000 3.062 484 I HA 0.524 4.694 4.170 -0.000 0.000 0.316 484 I C -0.102 176.023 176.117 0.015 0.000 1.041 484 I CA -0.929 60.353 61.300 -0.030 0.000 1.069 484 I CB 1.949 39.871 38.000 -0.131 0.000 1.300 484 I HN 0.263 nan 8.210 nan 0.000 0.518 485 V N 3.276 123.165 119.914 -0.042 0.000 2.711 485 V HA 0.155 4.275 4.120 -0.000 0.000 0.335 485 V C -1.751 174.343 176.094 0.001 0.000 1.235 485 V CA -1.043 61.257 62.300 0.001 0.000 1.250 485 V CB -0.210 31.618 31.823 0.008 0.000 1.469 485 V HN 0.596 nan 8.190 nan 0.000 0.646 486 P HA -0.446 nan 4.420 nan 0.000 0.232 486 P C 1.790 179.110 177.300 0.033 0.000 0.768 486 P CA 3.213 66.353 63.100 0.068 0.000 1.075 486 P CB -0.230 31.550 31.700 0.134 0.000 0.715 487 A N -2.225 120.621 122.820 0.044 0.000 2.009 487 A HA -0.316 4.004 4.320 -0.000 0.000 0.222 487 A C 2.288 179.896 177.584 0.040 0.000 1.175 487 A CA 3.101 55.162 52.037 0.041 0.000 0.651 487 A CB -1.856 17.165 19.000 0.035 0.000 0.815 487 A HN 0.405 nan 8.150 nan 0.000 0.459 488 T N -0.606 113.966 114.554 0.029 0.000 2.777 488 T HA -0.084 4.266 4.350 -0.000 0.000 0.266 488 T C 1.678 176.424 174.700 0.078 0.000 1.040 488 T CA 1.567 63.700 62.100 0.056 0.000 1.141 488 T CB -0.317 68.587 68.868 0.060 0.000 0.868 488 T HN 0.229 nan 8.240 nan 0.000 0.444 489 V N 1.652 121.563 119.914 -0.005 0.000 3.305 489 V HA 0.053 4.173 4.120 -0.000 0.000 0.269 489 V C 0.828 176.969 176.094 0.079 0.000 1.157 489 V CA 0.424 62.742 62.300 0.029 0.000 1.157 489 V CB -0.934 30.803 31.823 -0.143 0.000 0.772 489 V HN 0.426 nan 8.190 nan 0.000 0.498 490 M N 0.064 119.707 119.600 0.072 0.000 2.235 490 M HA 0.421 4.901 4.480 -0.000 0.000 0.351 490 M C 1.053 177.401 176.300 0.079 0.000 1.178 490 M CA -0.037 55.311 55.300 0.079 0.000 1.143 490 M CB -0.248 32.395 32.600 0.071 0.000 1.530 490 M HN 0.238 nan 8.290 nan 0.000 0.461 491 A N 2.971 125.838 122.820 0.077 0.000 2.409 491 A HA -0.220 4.100 4.320 -0.000 0.000 0.290 491 A C 0.916 178.541 177.584 0.069 0.000 1.440 491 A CA 1.331 53.408 52.037 0.067 0.000 0.775 491 A CB -1.805 17.229 19.000 0.056 0.000 1.069 491 A HN 0.920 nan 8.150 nan 0.000 0.389 492 N N -2.105 116.646 118.700 0.085 0.000 2.075 492 N HA 0.030 4.770 4.740 -0.000 0.000 0.226 492 N C 0.104 175.665 175.510 0.085 0.000 1.343 492 N CA 0.168 53.274 53.050 0.093 0.000 0.881 492 N CB 0.374 38.946 38.487 0.141 0.000 1.100 492 N HN 0.625 nan 8.380 nan 0.000 0.495 493 Q N 0.493 120.346 119.800 0.088 0.000 2.180 493 Q HA 0.325 4.665 4.340 -0.000 0.000 0.241 493 Q C 0.377 176.405 176.000 0.048 0.000 0.970 493 Q CA -0.257 55.589 55.803 0.072 0.000 0.919 493 Q CB 1.328 30.120 28.738 0.090 0.000 1.222 493 Q HN 0.183 nan 8.270 nan 0.000 0.482 494 T N -3.250 111.324 114.554 0.033 0.000 2.922 494 T HA 0.382 4.732 4.350 -0.000 0.000 0.281 494 T C 1.033 175.749 174.700 0.026 0.000 1.005 494 T CA -0.099 62.015 62.100 0.023 0.000 0.982 494 T CB 0.830 69.703 68.868 0.008 0.000 1.158 494 T HN 0.353 nan 8.240 nan 0.000 0.566 495 S N 1.027 116.739 115.700 0.019 0.000 2.407 495 S HA -0.225 4.245 4.470 -0.000 0.000 0.244 495 S C 1.774 176.388 174.600 0.024 0.000 1.077 495 S CA 2.178 60.390 58.200 0.020 0.000 1.159 495 S CB -0.595 62.611 63.200 0.011 0.000 1.045 495 S HN 0.939 nan 8.310 nan 0.000 0.438 496 E N 0.567 120.777 120.200 0.018 0.000 2.481 496 E HA 0.118 4.468 4.350 -0.000 0.000 0.198 496 E C 1.301 177.917 176.600 0.026 0.000 1.027 496 E CA 0.087 56.500 56.400 0.022 0.000 0.900 496 E CB -0.110 29.595 29.700 0.009 0.000 0.993 496 E HN 0.608 nan 8.360 nan 0.000 0.482 497 E N 0.982 121.196 120.200 0.024 0.000 2.516 497 E HA -0.020 4.330 4.350 -0.000 0.000 0.199 497 E C 1.049 177.689 176.600 0.067 0.000 1.069 497 E CA 0.133 56.551 56.400 0.030 0.000 0.876 497 E CB 0.412 30.123 29.700 0.018 0.000 0.843 497 E HN 0.142 nan 8.360 nan 0.000 0.530 498 V N -0.311 119.645 119.914 0.069 0.000 2.840 498 V HA 0.087 4.207 4.120 -0.000 0.000 0.234 498 V C 2.007 178.158 176.094 0.095 0.000 1.159 498 V CA 1.077 63.427 62.300 0.083 0.000 1.194 498 V CB 0.021 31.884 31.823 0.067 0.000 0.971 498 V HN 0.314 nan 8.190 nan 0.000 0.494 499 A N -0.706 122.165 122.820 0.084 0.000 2.125 499 A HA -0.144 4.176 4.320 -0.000 0.000 0.219 499 A C 2.201 179.874 177.584 0.150 0.000 1.156 499 A CA 1.936 54.036 52.037 0.105 0.000 0.671 499 A CB -0.360 18.689 19.000 0.081 0.000 0.794 499 A HN 0.437 nan 8.150 nan 0.000 0.459 500 S N -0.867 114.907 115.700 0.123 0.000 2.577 500 S HA 0.521 4.991 4.470 -0.000 0.000 0.219 500 S C 0.858 175.583 174.600 0.210 0.000 0.962 500 S CA 0.308 58.578 58.200 0.118 0.000 0.921 500 S CB -0.811 62.404 63.200 0.026 0.000 0.789 500 S HN 0.746 nan 8.310 nan 0.000 0.497 501 A N 1.445 124.391 122.820 0.210 0.000 2.492 501 A HA 0.360 4.680 4.320 -0.000 0.000 0.236 501 A C 0.021 177.721 177.584 0.193 0.000 1.078 501 A CA -0.044 52.120 52.037 0.211 0.000 0.773 501 A CB 0.098 19.186 19.000 0.148 0.000 1.023 501 A HN 0.589 nan 8.150 nan 0.000 0.504 502 L N 2.320 123.552 121.223 0.015 0.000 2.262 502 L HA 0.486 4.826 4.340 -0.000 0.000 0.288 502 L C 0.814 177.624 176.870 -0.100 0.000 1.035 502 L CA -0.556 54.126 54.840 -0.263 0.000 0.820 502 L CB 0.576 42.132 42.059 -0.837 0.000 1.204 502 L HN 0.988 nan 8.230 nan 0.000 0.424 503 A N 4.707 127.510 122.820 -0.027 0.000 2.494 503 A HA -0.198 4.122 4.320 -0.000 0.000 0.291 503 A C 0.871 178.408 177.584 -0.078 0.000 0.951 503 A CA 1.317 53.311 52.037 -0.072 0.000 1.099 503 A CB -0.849 18.073 19.000 -0.131 0.000 0.783 503 A HN 1.090 nan 8.150 nan 0.000 0.433 504 N N 0.110 118.774 118.700 -0.060 0.000 2.725 504 N HA -0.142 4.598 4.740 -0.000 0.000 0.256 504 N C -0.873 174.597 175.510 -0.067 0.000 1.087 504 N CA 1.315 54.325 53.050 -0.065 0.000 0.690 504 N CB -0.763 37.690 38.487 -0.056 0.000 0.891 504 N HN 1.058 nan 8.380 nan 0.000 0.553 505 D N -1.016 119.349 120.400 -0.059 0.000 2.490 505 D HA 0.682 5.322 4.640 -0.000 0.000 0.232 505 D C 1.285 177.543 176.300 -0.069 0.000 1.053 505 D CA -0.167 53.816 54.000 -0.027 0.000 0.914 505 D CB 0.874 41.691 40.800 0.028 0.000 1.431 505 D HN 0.169 nan 8.370 nan 0.000 0.483 506 A N 1.666 124.439 122.820 -0.078 0.000 1.893 506 A HA -0.297 4.023 4.320 -0.000 0.000 0.222 506 A C 2.220 179.685 177.584 -0.198 0.000 1.309 506 A CA 2.660 54.536 52.037 -0.268 0.000 0.681 506 A CB -1.308 17.370 19.000 -0.536 0.000 0.842 506 A HN 0.717 nan 8.150 nan 0.000 0.468 507 I N -0.550 120.012 120.570 -0.015 0.000 2.113 507 I HA -0.309 3.861 4.170 -0.000 0.000 0.242 507 I C 2.237 178.350 176.117 -0.007 0.000 1.057 507 I CA 1.887 63.208 61.300 0.035 0.000 1.314 507 I CB -0.559 37.523 38.000 0.136 0.000 1.022 507 I HN 0.220 nan 8.210 nan 0.000 0.408 508 V N 0.578 120.485 119.914 -0.011 0.000 2.759 508 V HA -0.199 3.921 4.120 -0.000 0.000 0.256 508 V C 2.173 178.227 176.094 -0.066 0.000 1.080 508 V CA 1.338 63.627 62.300 -0.018 0.000 1.101 508 V CB -0.431 31.386 31.823 -0.011 0.000 0.698 508 V HN 0.379 nan 8.190 nan 0.000 0.477 509 L N -0.616 120.505 121.223 -0.170 0.000 2.168 509 L HA 0.021 4.361 4.340 -0.000 0.000 0.203 509 L C 2.001 178.733 176.870 -0.230 0.000 1.078 509 L CA 0.715 55.373 54.840 -0.303 0.000 0.780 509 L CB -0.151 41.514 42.059 -0.658 0.000 0.939 509 L HN 0.158 nan 8.230 nan 0.000 0.451 510 V N -1.414 118.376 119.914 -0.206 0.000 3.623 510 V HA -0.070 4.050 4.120 -0.000 0.000 0.274 510 V C 1.939 178.086 176.094 0.089 0.000 1.244 510 V CA 1.089 63.387 62.300 -0.004 0.000 1.182 510 V CB 0.047 31.848 31.823 -0.037 0.000 0.925 510 V HN 0.305 nan 8.190 nan 0.000 0.462 511 S N 0.173 115.910 115.700 0.061 0.000 2.599 511 S HA 0.057 4.527 4.470 -0.000 0.000 0.236 511 S C 1.738 176.389 174.600 0.086 0.000 1.077 511 S CA 0.272 58.513 58.200 0.069 0.000 0.906 511 S CB 0.014 63.237 63.200 0.039 0.000 0.804 511 S HN 0.548 nan 8.310 nan 0.000 0.497 512 N N 0.755 119.512 118.700 0.096 0.000 2.331 512 N HA 0.019 4.759 4.740 -0.000 0.000 0.180 512 N C 1.347 176.980 175.510 0.205 0.000 1.019 512 N CA 0.958 54.077 53.050 0.115 0.000 0.881 512 N CB -0.241 38.302 38.487 0.094 0.000 0.972 512 N HN 0.425 nan 8.380 nan 0.000 0.435 513 H N 0.370 119.521 119.070 0.136 0.000 2.287 513 H HA 0.215 4.771 4.556 -0.000 0.000 0.309 513 H C 1.837 177.255 175.328 0.150 0.000 1.059 513 H CA 1.097 57.252 56.048 0.180 0.000 1.357 513 H CB -0.389 29.550 29.762 0.296 0.000 1.409 513 H HN 0.012 nan 8.280 nan 0.000 0.515 514 L N 0.159 121.514 121.223 0.220 0.000 2.081 514 L HA -0.240 4.100 4.340 -0.000 0.000 0.212 514 L C 2.038 178.974 176.870 0.110 0.000 1.080 514 L CA 1.548 56.512 54.840 0.207 0.000 0.754 514 L CB -0.556 41.647 42.059 0.240 0.000 0.893 514 L HN 0.321 nan 8.230 nan 0.000 0.433 515 N N -0.237 118.495 118.700 0.053 0.000 2.205 515 N HA -0.158 4.582 4.740 -0.000 0.000 0.186 515 N C 1.780 177.299 175.510 0.015 0.000 1.015 515 N CA 0.962 54.013 53.050 0.002 0.000 0.862 515 N CB 0.045 38.541 38.487 0.015 0.000 0.986 515 N HN 0.199 nan 8.380 nan 0.000 0.429 516 K N 0.527 120.942 120.400 0.026 0.000 2.007 516 K HA 0.006 4.326 4.320 -0.000 0.000 0.206 516 K C 1.826 178.434 176.600 0.015 0.000 1.047 516 K CA 0.398 56.690 56.287 0.010 0.000 0.937 516 K CB -0.997 31.495 32.500 -0.013 0.000 0.718 516 K HN 0.203 nan 8.250 nan 0.000 0.438 517 L N 1.374 122.604 121.223 0.011 0.000 2.187 517 L HA -0.088 4.252 4.340 -0.000 0.000 0.213 517 L C 1.943 178.931 176.870 0.197 0.000 1.100 517 L CA 1.726 56.607 54.840 0.068 0.000 0.765 517 L CB -0.822 41.268 42.059 0.052 0.000 0.904 517 L HN 0.074 nan 8.230 nan 0.000 0.437 518 A N -0.341 122.593 122.820 0.189 0.000 2.014 518 A HA -0.151 4.169 4.320 -0.000 0.000 0.218 518 A C 1.828 179.454 177.584 0.070 0.000 1.163 518 A CA 1.276 53.392 52.037 0.133 0.000 0.652 518 A CB -0.380 18.514 19.000 -0.177 0.000 0.808 518 A HN 0.548 nan 8.150 nan 0.000 0.449 519 N N -0.491 118.236 118.700 0.045 0.000 2.392 519 N HA 0.027 4.767 4.740 -0.000 0.000 0.177 519 N C 1.489 177.021 175.510 0.036 0.000 1.066 519 N CA 0.826 53.894 53.050 0.029 0.000 0.895 519 N CB 0.341 38.836 38.487 0.014 0.000 0.988 519 N HN 0.260 nan 8.380 nan 0.000 0.457 520 V N 1.104 121.044 119.914 0.044 0.000 2.346 520 V HA -0.144 3.976 4.120 -0.000 0.000 0.244 520 V C 2.505 178.626 176.094 0.046 0.000 1.037 520 V CA 1.310 63.631 62.300 0.035 0.000 1.029 520 V CB -0.536 31.302 31.823 0.024 0.000 0.663 520 V HN 0.115 nan 8.190 nan 0.000 0.454 521 V N 0.093 120.052 119.914 0.074 0.000 2.270 521 V HA -0.036 4.084 4.120 -0.000 0.000 0.245 521 V C 2.568 178.703 176.094 0.068 0.000 1.043 521 V CA 2.121 64.468 62.300 0.078 0.000 1.014 521 V CB -2.002 29.897 31.823 0.126 0.000 0.645 521 V HN 0.422 nan 8.190 nan 0.000 0.447 522 G N 0.005 108.847 108.800 0.071 0.000 2.547 522 G HA2 -0.327 3.633 3.960 -0.000 0.000 0.221 522 G HA3 -0.327 3.633 3.960 -0.000 0.000 0.221 522 G C 1.351 176.272 174.900 0.035 0.000 1.140 522 G CA 1.414 46.543 45.100 0.047 0.000 0.760 522 G HN 0.575 nan 8.290 nan 0.000 0.583 523 D N 0.336 120.755 120.400 0.032 0.000 2.128 523 D HA 0.072 4.712 4.640 -0.000 0.000 0.213 523 D C 2.938 179.253 176.300 0.024 0.000 0.983 523 D CA 1.137 55.151 54.000 0.024 0.000 0.889 523 D CB -0.311 40.502 40.800 0.021 0.000 1.018 523 D HN 0.208 nan 8.370 nan 0.000 0.448 524 A N 1.439 124.273 122.820 0.024 0.000 1.835 524 A HA -0.069 4.251 4.320 -0.000 0.000 0.215 524 A C 1.538 179.135 177.584 0.022 0.000 1.199 524 A CA 0.713 52.762 52.037 0.021 0.000 0.615 524 A CB -0.874 18.136 19.000 0.018 0.000 0.838 524 A HN 0.280 nan 8.150 nan 0.000 0.444 525 I N 1.279 121.865 120.570 0.027 0.000 2.754 525 I HA 0.076 4.246 4.170 -0.000 0.000 0.285 525 I C -1.754 174.382 176.117 0.031 0.000 1.166 525 I CA -1.329 59.988 61.300 0.029 0.000 1.417 525 I CB 0.728 38.748 38.000 0.033 0.000 1.382 525 I HN 0.230 nan 8.210 nan 0.000 0.588 526 P HA 0.089 nan 4.420 nan 0.000 0.212 526 P C 0.373 177.694 177.300 0.034 0.000 1.816 526 P CA -0.058 63.058 63.100 0.027 0.000 0.944 526 P CB -0.042 31.668 31.700 0.018 0.000 1.896 527 V N -0.009 119.933 119.914 0.045 0.000 3.564 527 V HA 0.108 4.228 4.120 -0.000 0.000 0.283 527 V C 1.550 177.674 176.094 0.050 0.000 1.227 527 V CA 1.088 63.422 62.300 0.057 0.000 1.217 527 V CB -1.442 30.428 31.823 0.078 0.000 0.994 527 V HN 0.400 nan 8.190 nan 0.000 0.446 528 A N 0.213 123.056 122.820 0.038 0.000 2.795 528 A HA 0.688 5.008 4.320 -0.000 0.000 0.282 528 A C 0.350 177.948 177.584 0.024 0.000 0.964 528 A CA 0.318 52.373 52.037 0.031 0.000 1.045 528 A CB 0.297 19.313 19.000 0.027 0.000 1.174 528 A HN 0.548 nan 8.150 nan 0.000 0.493 529 S N -1.377 114.337 115.700 0.023 0.000 2.611 529 S HA 0.458 4.928 4.470 -0.000 0.000 0.268 529 S C -0.201 174.407 174.600 0.013 0.000 1.156 529 S CA -0.930 57.279 58.200 0.015 0.000 0.817 529 S CB 0.769 63.975 63.200 0.009 0.000 1.122 529 S HN 0.285 nan 8.310 nan 0.000 0.466 530 R N 1.040 121.542 120.500 0.004 0.000 2.858 530 R HA 0.097 4.437 4.340 -0.000 0.000 0.228 530 R C 0.896 177.182 176.300 -0.022 0.000 1.471 530 R CA 0.758 56.856 56.100 -0.003 0.000 1.342 530 R CB -0.971 29.324 30.300 -0.009 0.000 1.152 530 R HN 0.816 nan 8.270 nan 0.000 0.521 531 T N -2.443 112.101 114.554 -0.016 0.000 3.278 531 T HA -0.005 4.345 4.350 -0.000 0.000 0.251 531 T C 0.226 174.899 174.700 -0.044 0.000 1.039 531 T CA -0.521 61.559 62.100 -0.034 0.000 0.935 531 T CB -0.096 68.760 68.868 -0.019 0.000 1.034 531 T HN 0.134 nan 8.240 nan 0.000 0.575 532 D N 3.541 123.919 120.400 -0.036 0.000 2.827 532 D HA -0.147 4.493 4.640 -0.000 0.000 0.217 532 D C 0.102 176.413 176.300 0.017 0.000 1.233 532 D CA 1.470 55.460 54.000 -0.018 0.000 0.618 532 D CB -1.194 39.471 40.800 -0.226 0.000 0.984 532 D HN 0.878 nan 8.370 nan 0.000 0.399 533 D N -1.698 118.726 120.400 0.040 0.000 2.319 533 D HA -0.014 4.626 4.640 -0.000 0.000 0.235 533 D C 1.432 177.774 176.300 0.070 0.000 1.304 533 D CA 0.308 54.334 54.000 0.042 0.000 0.894 533 D CB 0.498 41.322 40.800 0.040 0.000 1.183 533 D HN 0.033 nan 8.370 nan 0.000 0.472 534 S N -0.155 115.575 115.700 0.050 0.000 2.402 534 S HA -0.263 4.207 4.470 -0.000 0.000 0.233 534 S C 1.938 176.566 174.600 0.048 0.000 1.030 534 S CA 0.939 59.169 58.200 0.050 0.000 1.003 534 S CB -0.984 62.233 63.200 0.028 0.000 0.813 534 S HN 0.675 nan 8.310 nan 0.000 0.477 535 A N 2.388 125.233 122.820 0.042 0.000 1.832 535 A HA -0.018 4.302 4.320 -0.000 0.000 0.214 535 A C 2.595 180.201 177.584 0.037 0.000 1.200 535 A CA 2.245 54.296 52.037 0.024 0.000 0.610 535 A CB -1.831 17.186 19.000 0.030 0.000 0.842 535 A HN 0.769 nan 8.150 nan 0.000 0.444 536 T N -2.614 111.986 114.554 0.076 0.000 3.077 536 T HA -0.062 4.288 4.350 -0.000 0.000 0.269 536 T C 1.743 176.532 174.700 0.147 0.000 1.146 536 T CA 1.905 64.067 62.100 0.103 0.000 1.091 536 T CB -0.307 68.645 68.868 0.141 0.000 0.892 536 T HN 0.325 nan 8.240 nan 0.000 0.533 537 S N 0.032 115.834 115.700 0.170 0.000 2.421 537 S HA 0.360 4.830 4.470 -0.000 0.000 0.224 537 S C 2.443 177.066 174.600 0.039 0.000 1.035 537 S CA 0.625 58.968 58.200 0.238 0.000 0.953 537 S CB -0.692 62.682 63.200 0.289 0.000 0.810 537 S HN 0.722 nan 8.310 nan 0.000 0.497 538 A N 1.617 124.446 122.820 0.016 0.000 1.902 538 A HA 0.017 4.337 4.320 -0.000 0.000 0.217 538 A C 2.000 179.543 177.584 -0.068 0.000 1.181 538 A CA 1.437 53.456 52.037 -0.029 0.000 0.623 538 A CB -0.738 18.242 19.000 -0.033 0.000 0.818 538 A HN 0.612 nan 8.150 nan 0.000 0.443 539 I N -0.793 119.737 120.570 -0.067 0.000 2.252 539 I HA -0.182 3.988 4.170 -0.000 0.000 0.245 539 I C 2.327 178.359 176.117 -0.141 0.000 1.102 539 I CA 0.869 62.118 61.300 -0.084 0.000 1.385 539 I CB -0.362 37.604 38.000 -0.056 0.000 1.064 539 I HN 0.133 nan 8.210 nan 0.000 0.414 540 V N 1.208 120.987 119.914 -0.225 0.000 2.324 540 V HA -0.316 3.804 4.120 -0.000 0.000 0.250 540 V C 2.675 178.524 176.094 -0.409 0.000 1.060 540 V CA 2.441 64.473 62.300 -0.447 0.000 1.042 540 V CB -0.746 30.456 31.823 -1.036 0.000 0.650 540 V HN 0.636 nan 8.190 nan 0.000 0.450 541 S N -0.296 115.216 115.700 -0.313 0.000 2.423 541 S HA -0.166 4.304 4.470 -0.000 0.000 0.231 541 S C 2.031 176.548 174.600 -0.137 0.000 1.014 541 S CA 0.751 58.820 58.200 -0.219 0.000 0.965 541 S CB -0.324 62.793 63.200 -0.139 0.000 0.785 541 S HN 0.470 nan 8.310 nan 0.000 0.495 542 R N 1.378 121.810 120.500 -0.114 0.000 2.062 542 R HA 0.236 4.576 4.340 -0.000 0.000 0.229 542 R C 2.406 178.674 176.300 -0.054 0.000 1.128 542 R CA 0.992 57.051 56.100 -0.069 0.000 0.960 542 R CB -1.299 28.967 30.300 -0.058 0.000 0.855 542 R HN 0.446 nan 8.270 nan 0.000 0.432 543 L N 0.526 121.704 121.223 -0.075 0.000 2.043 543 L HA -0.210 4.130 4.340 -0.000 0.000 0.212 543 L C 2.627 179.497 176.870 -0.001 0.000 1.075 543 L CA 1.563 56.378 54.840 -0.041 0.000 0.752 543 L CB -0.836 41.177 42.059 -0.076 0.000 0.891 543 L HN 0.167 nan 8.230 nan 0.000 0.432 544 A N 0.091 122.886 122.820 -0.042 0.000 1.828 544 A HA -0.180 4.140 4.320 -0.000 0.000 0.215 544 A C 2.281 179.915 177.584 0.083 0.000 1.203 544 A CA 1.880 53.945 52.037 0.048 0.000 0.614 544 A CB -1.115 17.858 19.000 -0.045 0.000 0.844 544 A HN 0.135 nan 8.150 nan 0.000 0.445 545 V N 0.647 120.574 119.914 0.021 0.000 2.511 545 V HA -0.309 3.811 4.120 -0.000 0.000 0.257 545 V C 2.762 178.876 176.094 0.034 0.000 1.088 545 V CA 2.443 64.757 62.300 0.023 0.000 1.098 545 V CB -0.710 31.109 31.823 -0.006 0.000 0.674 545 V HN 0.716 nan 8.190 nan 0.000 0.470 546 Q N -0.233 119.591 119.800 0.040 0.000 2.013 546 Q HA -0.184 4.156 4.340 -0.000 0.000 0.195 546 Q C 2.366 178.403 176.000 0.063 0.000 0.974 546 Q CA 1.658 57.484 55.803 0.039 0.000 0.826 546 Q CB -0.545 28.211 28.738 0.030 0.000 0.895 546 Q HN 0.794 nan 8.270 nan 0.000 0.448 547 H N 0.508 119.575 119.070 -0.005 0.000 2.518 547 H HA -0.042 4.514 4.556 -0.000 0.000 0.289 547 H C 1.684 177.011 175.328 -0.001 0.000 1.051 547 H CA 1.157 57.202 56.048 -0.005 0.000 1.280 547 H CB 0.395 30.152 29.762 -0.009 0.000 1.380 547 H HN 0.040 nan 8.280 nan 0.000 0.566 548 K N 1.044 121.526 120.400 0.136 0.000 2.116 548 K HA -0.047 4.273 4.320 -0.000 0.000 0.203 548 K C 2.274 178.862 176.600 -0.020 0.000 1.052 548 K CA 0.834 57.173 56.287 0.087 0.000 0.952 548 K CB -0.100 32.480 32.500 0.133 0.000 0.729 548 K HN 0.435 nan 8.250 nan 0.000 0.446 549 L N -0.410 120.802 121.223 -0.020 0.000 2.341 549 L HA 0.114 4.454 4.340 -0.000 0.000 0.214 549 L C 1.800 178.634 176.870 -0.060 0.000 1.115 549 L CA 1.659 56.481 54.840 -0.030 0.000 0.820 549 L CB -1.105 40.946 42.059 -0.013 0.000 0.944 549 L HN -0.014 nan 8.230 nan 0.000 0.452 550 S N -1.259 114.385 115.700 -0.095 0.000 2.515 550 S HA -0.119 4.351 4.470 -0.000 0.000 0.231 550 S C 1.932 176.443 174.600 -0.148 0.000 0.987 550 S CA 0.861 58.995 58.200 -0.110 0.000 0.936 550 S CB -0.386 62.743 63.200 -0.119 0.000 0.766 550 S HN 0.587 nan 8.310 nan 0.000 0.528 551 Q N 0.921 120.608 119.800 -0.187 0.000 2.376 551 Q HA 0.345 4.685 4.340 -0.000 0.000 0.206 551 Q C 0.298 176.246 176.000 -0.086 0.000 0.921 551 Q CA 0.078 55.779 55.803 -0.170 0.000 0.911 551 Q CB -0.004 28.600 28.738 -0.223 0.000 1.032 551 Q HN 0.428 nan 8.270 nan 0.000 0.510 552 V N 1.103 120.979 119.914 -0.064 0.000 2.763 552 V HA 0.355 4.475 4.120 -0.000 0.000 0.306 552 V C 0.516 176.590 176.094 -0.033 0.000 1.059 552 V CA 0.812 63.090 62.300 -0.036 0.000 1.138 552 V CB 0.321 32.130 31.823 -0.024 0.000 0.940 552 V HN 0.606 nan 8.190 nan 0.000 0.489 553 G N 4.281 113.066 108.800 -0.024 0.000 3.276 553 G HA2 -0.053 3.907 3.960 -0.000 0.000 0.679 553 G HA3 -0.053 3.907 3.960 -0.000 0.000 0.679 553 G C -0.543 174.343 174.900 -0.024 0.000 0.911 553 G CA 0.564 45.652 45.100 -0.020 0.000 0.797 553 G HN 1.506 nan 8.290 nan 0.000 0.503 554 Q N 0.108 119.896 119.800 -0.019 0.000 3.232 554 Q HA 0.142 4.482 4.340 -0.000 0.000 0.030 554 Q C 1.322 177.310 176.000 -0.020 0.000 1.707 554 Q CA 0.744 56.535 55.803 -0.020 0.000 0.246 554 Q CB -1.030 27.694 28.738 -0.024 0.000 0.635 554 Q HN 2.652 nan 8.270 nan 0.000 0.323 555 A N 2.477 125.287 122.820 -0.015 0.000 2.254 555 A HA -0.295 4.025 4.320 -0.000 0.000 0.224 555 A C 1.066 178.642 177.584 -0.014 0.000 1.184 555 A CA 2.658 54.687 52.037 -0.013 0.000 0.688 555 A CB -1.310 17.683 19.000 -0.011 0.000 0.821 555 A HN 2.206 nan 8.150 nan 0.000 0.498 556 S N -2.702 112.986 115.700 -0.021 0.000 3.425 556 S HA -0.196 4.274 4.470 -0.000 0.000 0.377 556 S C -0.515 174.076 174.600 -0.015 0.000 0.989 556 S CA 0.829 59.015 58.200 -0.024 0.000 1.183 556 S CB -2.144 61.046 63.200 -0.017 0.000 0.908 556 S HN 0.741 nan 8.310 nan 0.000 0.472 557 P HA 0.060 nan 4.420 nan 0.000 0.228 557 P C 0.067 177.364 177.300 -0.004 0.000 1.151 557 P CA 0.888 63.983 63.100 -0.008 0.000 0.770 557 P CB -0.265 31.430 31.700 -0.008 0.000 0.786 558 T N 3.330 117.882 114.554 -0.003 0.000 2.963 558 T HA 0.309 4.659 4.350 -0.000 0.000 0.343 558 T C -2.658 172.059 174.700 0.028 0.000 1.146 558 T CA -1.545 60.563 62.100 0.014 0.000 1.016 558 T CB 1.228 70.120 68.868 0.039 0.000 1.046 558 T HN 0.062 nan 8.240 nan 0.000 0.496 559 P HA 0.192 nan 4.420 nan 0.000 0.271 559 P C -2.371 174.881 177.300 -0.080 0.000 1.226 559 P CA -1.273 61.816 63.100 -0.018 0.000 0.765 559 P CB -0.239 31.439 31.700 -0.037 0.000 0.835 560 P HA -0.130 nan 4.420 nan 0.000 0.267 560 P C 0.395 177.217 177.300 -0.796 0.000 1.175 560 P CA 0.485 63.337 63.100 -0.413 0.000 0.763 560 P CB 0.763 32.205 31.700 -0.430 0.000 0.795 561 D N 1.200 121.163 120.400 -0.728 0.000 2.128 561 D HA -0.075 4.565 4.640 -0.000 0.000 0.213 561 D C 0.763 176.796 176.300 -0.446 0.000 0.983 561 D CA 1.100 54.818 54.000 -0.470 0.000 0.889 561 D CB -0.054 40.600 40.800 -0.243 0.000 1.018 561 D HN 0.683 nan 8.370 nan 0.000 0.448 562 Y N -3.309 116.951 120.300 -0.067 0.000 2.716 562 Y HA -0.281 4.269 4.550 -0.000 0.000 0.473 562 Y C -1.529 174.498 175.900 0.211 0.000 1.306 562 Y CA 0.342 58.456 58.100 0.024 0.000 2.486 562 Y CB -1.958 36.563 38.460 0.103 0.000 1.090 562 Y HN 0.185 nan 8.280 nan 0.000 0.556 563 P HA -0.152 nan 4.420 nan 0.000 0.216 563 P C 1.647 179.072 177.300 0.207 0.000 1.150 563 P CA 2.012 65.272 63.100 0.266 0.000 0.837 563 P CB -0.088 31.699 31.700 0.145 0.000 0.786 564 L N -1.681 119.613 121.223 0.119 0.000 2.179 564 L HA -0.019 4.321 4.340 -0.000 0.000 0.208 564 L C 2.073 178.974 176.870 0.051 0.000 1.096 564 L CA 1.098 55.975 54.840 0.061 0.000 0.779 564 L CB -0.460 41.600 42.059 0.001 0.000 0.922 564 L HN -0.136 nan 8.230 nan 0.000 0.443 565 L N -1.613 119.635 121.223 0.042 0.000 2.095 565 L HA -0.153 4.187 4.340 -0.000 0.000 0.204 565 L C 2.326 179.178 176.870 -0.029 0.000 1.080 565 L CA 1.521 56.340 54.840 -0.034 0.000 0.759 565 L CB -0.909 41.105 42.059 -0.076 0.000 0.914 565 L HN 0.436 nan 8.230 nan 0.000 0.439 566 W N 0.696 122.025 121.300 0.049 0.000 2.335 566 W HA -0.206 4.454 4.660 -0.000 0.000 0.311 566 W C 2.925 179.457 176.519 0.020 0.000 1.213 566 W CA 1.269 58.629 57.345 0.026 0.000 1.274 566 W CB -0.245 29.229 29.460 0.023 0.000 1.148 566 W HN 0.073 nan 8.180 nan 0.000 0.498 567 R N 0.895 121.549 120.500 0.258 0.000 2.115 567 R HA -0.141 4.199 4.340 -0.000 0.000 0.230 567 R C 2.312 178.672 176.300 0.101 0.000 1.111 567 R CA 1.502 57.694 56.100 0.153 0.000 0.976 567 R CB -0.367 30.001 30.300 0.113 0.000 0.870 567 R HN 0.117 nan 8.270 nan 0.000 0.445 568 R N -0.124 120.420 120.500 0.074 0.000 2.090 568 R HA -0.025 4.315 4.340 -0.000 0.000 0.228 568 R C 1.873 178.197 176.300 0.041 0.000 1.110 568 R CA 1.333 57.459 56.100 0.043 0.000 0.973 568 R CB -0.173 30.138 30.300 0.018 0.000 0.869 568 R HN 0.277 nan 8.270 nan 0.000 0.440 569 A N 0.639 123.478 122.820 0.032 0.000 2.067 569 A HA -0.089 4.231 4.320 -0.000 0.000 0.217 569 A C 1.942 179.567 177.584 0.068 0.000 1.156 569 A CA 1.069 53.119 52.037 0.022 0.000 0.683 569 A CB -0.166 18.809 19.000 -0.042 0.000 0.808 569 A HN 0.252 nan 8.150 nan 0.000 0.455 570 K N 0.945 121.409 120.400 0.106 0.000 2.057 570 K HA -0.141 4.179 4.320 -0.000 0.000 0.206 570 K C 2.156 178.809 176.600 0.087 0.000 1.050 570 K CA 1.683 58.039 56.287 0.114 0.000 0.935 570 K CB -0.223 32.352 32.500 0.125 0.000 0.715 570 K HN 0.585 nan 8.250 nan 0.000 0.439 571 R N -0.460 120.085 120.500 0.075 0.000 2.193 571 R HA 0.142 4.482 4.340 -0.000 0.000 0.213 571 R C 1.987 178.331 176.300 0.073 0.000 1.055 571 R CA 0.998 57.138 56.100 0.067 0.000 0.995 571 R CB -0.303 30.030 30.300 0.055 0.000 0.893 571 R HN 0.123 nan 8.270 nan 0.000 0.459 572 A N 1.844 124.706 122.820 0.069 0.000 1.855 572 A HA 0.067 4.387 4.320 -0.000 0.000 0.215 572 A C 2.518 180.167 177.584 0.107 0.000 1.191 572 A CA 1.377 53.459 52.037 0.075 0.000 0.613 572 A CB -0.801 18.227 19.000 0.047 0.000 0.829 572 A HN 0.485 nan 8.150 nan 0.000 0.442 573 A N -0.916 121.958 122.820 0.091 0.000 1.969 573 A HA -0.071 4.249 4.320 -0.000 0.000 0.218 573 A C 2.463 180.149 177.584 0.169 0.000 1.169 573 A CA 2.139 54.243 52.037 0.112 0.000 0.635 573 A CB -0.814 18.229 19.000 0.072 0.000 0.810 573 A HN 0.552 nan 8.150 nan 0.000 0.445 574 S N -0.957 114.817 115.700 0.124 0.000 2.357 574 S HA -0.154 4.316 4.470 -0.000 0.000 0.221 574 S C 2.090 176.752 174.600 0.103 0.000 1.031 574 S CA 1.557 59.821 58.200 0.106 0.000 0.982 574 S CB -0.395 62.851 63.200 0.076 0.000 0.853 574 S HN 0.593 nan 8.310 nan 0.000 0.458 575 M N -0.167 119.495 119.600 0.102 0.000 2.279 575 M HA -0.059 4.421 4.480 -0.000 0.000 0.264 575 M C 1.687 178.038 176.300 0.084 0.000 1.062 575 M CA 1.467 56.814 55.300 0.078 0.000 1.099 575 M CB -0.243 32.403 32.600 0.077 0.000 1.394 575 M HN 0.541 nan 8.290 nan 0.000 0.426 576 F N 0.112 120.074 119.950 0.021 0.000 2.053 576 F HA -0.138 4.389 4.527 -0.000 0.000 0.292 576 F C 1.860 177.671 175.800 0.018 0.000 1.125 576 F CA 1.764 59.776 58.000 0.020 0.000 1.193 576 F CB -0.698 38.313 39.000 0.019 0.000 0.996 576 F HN -0.132 nan 8.300 nan 0.000 0.470 577 V N 0.012 119.996 119.914 0.117 0.000 2.370 577 V HA -0.373 3.747 4.120 -0.000 0.000 0.252 577 V C 2.648 178.672 176.094 -0.118 0.000 1.068 577 V CA 2.077 64.376 62.300 -0.002 0.000 1.061 577 V CB -1.301 30.585 31.823 0.105 0.000 0.656 577 V HN 0.574 nan 8.190 nan 0.000 0.455 578 S N 0.296 115.954 115.700 -0.069 0.000 2.380 578 S HA -0.193 4.277 4.470 -0.000 0.000 0.217 578 S C 1.219 175.751 174.600 -0.113 0.000 1.036 578 S CA 1.945 60.107 58.200 -0.064 0.000 1.050 578 S CB -0.312 62.874 63.200 -0.024 0.000 1.016 578 S HN 0.688 nan 8.310 nan 0.000 0.419 579 N N 0.733 119.351 118.700 -0.138 0.000 2.851 579 N HA 0.422 5.162 4.740 -0.000 0.000 0.248 579 N C -2.244 173.118 175.510 -0.246 0.000 1.221 579 N CA -2.094 50.870 53.050 -0.144 0.000 0.847 579 N CB 1.469 39.914 38.487 -0.071 0.000 1.150 579 N HN 0.041 nan 8.380 nan 0.000 0.507 580 P HA -0.287 nan 4.420 nan 0.000 0.220 580 P C 1.362 178.509 177.300 -0.255 0.000 1.155 580 P CA 1.103 63.816 63.100 -0.644 0.000 0.880 580 P CB 0.256 31.671 31.700 -0.476 0.000 0.790 581 S N -0.943 114.683 115.700 -0.124 0.000 2.369 581 S HA -0.233 4.237 4.470 -0.000 0.000 0.225 581 S C 1.889 176.496 174.600 0.012 0.000 1.043 581 S CA 1.572 59.756 58.200 -0.026 0.000 1.074 581 S CB -1.237 61.956 63.200 -0.013 0.000 0.962 581 S HN -0.000 nan 8.310 nan 0.000 0.433 582 L N 1.119 122.343 121.223 0.003 0.000 2.166 582 L HA -0.319 4.021 4.340 -0.000 0.000 0.228 582 L C 2.578 179.492 176.870 0.073 0.000 1.101 582 L CA 1.703 56.565 54.840 0.036 0.000 0.821 582 L CB -1.000 41.077 42.059 0.031 0.000 0.908 582 L HN 0.552 nan 8.230 nan 0.000 0.447 583 A N -0.912 121.977 122.820 0.116 0.000 2.292 583 A HA -0.072 4.248 4.320 -0.000 0.000 0.209 583 A C 1.931 179.585 177.584 0.117 0.000 1.209 583 A CA 1.071 53.201 52.037 0.154 0.000 0.746 583 A CB -0.506 18.657 19.000 0.271 0.000 0.764 583 A HN 0.528 nan 8.150 nan 0.000 0.492 584 L N -2.007 119.272 121.223 0.093 0.000 2.642 584 L HA 0.102 4.442 4.340 -0.000 0.000 0.233 584 L C 0.482 177.398 176.870 0.076 0.000 1.077 584 L CA -0.045 54.847 54.840 0.087 0.000 0.879 584 L CB -0.110 41.999 42.059 0.083 0.000 1.151 584 L HN 0.379 nan 8.230 nan 0.000 0.495 585 Q N 1.472 121.311 119.800 0.065 0.000 2.288 585 Q HA 0.253 4.593 4.340 -0.000 0.000 0.258 585 Q C -0.409 175.620 176.000 0.049 0.000 0.957 585 Q CA -0.409 55.426 55.803 0.053 0.000 0.919 585 Q CB 2.099 30.863 28.738 0.044 0.000 1.185 585 Q HN -0.031 nan 8.270 nan 0.000 0.408 586 V N 2.408 122.347 119.914 0.043 0.000 2.493 586 V HA 0.257 4.377 4.120 -0.000 0.000 0.292 586 V C 1.210 177.322 176.094 0.031 0.000 1.016 586 V CA 1.144 63.466 62.300 0.037 0.000 1.097 586 V CB 0.133 31.974 31.823 0.031 0.000 0.947 586 V HN 1.107 nan 8.190 nan 0.000 0.479 587 G N 4.918 113.737 108.800 0.031 0.000 2.151 587 G HA2 -0.139 3.821 3.960 -0.000 0.000 0.156 587 G HA3 -0.139 3.821 3.960 -0.000 0.000 0.156 587 G C -0.415 174.503 174.900 0.030 0.000 1.017 587 G CA -0.681 44.435 45.100 0.027 0.000 0.686 587 G HN 0.459 nan 8.290 nan 0.000 0.503 588 I N 2.169 122.761 120.570 0.037 0.000 2.355 588 I HA 0.340 4.510 4.170 -0.000 0.000 0.288 588 I C -1.822 174.320 176.117 0.041 0.000 0.999 588 I CA -3.085 58.240 61.300 0.041 0.000 1.163 588 I CB 1.298 39.329 38.000 0.052 0.000 1.316 588 I HN -0.041 nan 8.210 nan 0.000 0.454 589 P HA 0.057 nan 4.420 nan 0.000 0.260 589 P C 0.854 178.176 177.300 0.036 0.000 1.172 589 P CA 0.493 63.613 63.100 0.033 0.000 0.760 589 P CB 1.152 32.871 31.700 0.031 0.000 0.773 590 V N 2.775 122.707 119.914 0.030 0.000 0.651 590 V HA -0.433 3.687 4.120 -0.000 0.000 0.092 590 V C 2.449 178.560 176.094 0.029 0.000 1.306 590 V CA 1.934 64.248 62.300 0.024 0.000 3.223 590 V CB -2.245 29.591 31.823 0.021 0.000 0.459 590 V HN 0.485 nan 8.190 nan 0.000 0.455 591 L N 0.859 122.108 121.223 0.043 0.000 2.195 591 L HA -0.336 4.004 4.340 -0.000 0.000 0.225 591 L C 2.243 179.146 176.870 0.054 0.000 1.096 591 L CA 2.979 57.855 54.840 0.060 0.000 0.814 591 L CB -0.772 41.351 42.059 0.107 0.000 0.901 591 L HN 0.989 nan 8.230 nan 0.000 0.446 592 T N -4.088 110.496 114.554 0.051 0.000 3.144 592 T HA 0.084 4.434 4.350 -0.000 0.000 0.249 592 T C 0.678 175.399 174.700 0.035 0.000 1.089 592 T CA -0.210 61.919 62.100 0.049 0.000 0.989 592 T CB 0.028 68.926 68.868 0.051 0.000 0.992 592 T HN 0.320 nan 8.240 nan 0.000 0.540 593 Q N 1.550 121.365 119.800 0.025 0.000 2.299 593 Q HA 0.342 4.682 4.340 -0.000 0.000 0.246 593 Q C 1.459 177.467 176.000 0.013 0.000 0.935 593 Q CA -0.104 55.710 55.803 0.017 0.000 0.887 593 Q CB 1.421 30.166 28.738 0.011 0.000 1.223 593 Q HN 0.490 nan 8.270 nan 0.000 0.439 594 S N 1.312 117.020 115.700 0.013 0.000 2.392 594 S HA -0.241 4.229 4.470 -0.000 0.000 0.232 594 S C 1.656 176.257 174.600 0.000 0.000 1.041 594 S CA 1.250 59.456 58.200 0.011 0.000 1.026 594 S CB -0.760 62.448 63.200 0.012 0.000 0.845 594 S HN 0.845 nan 8.310 nan 0.000 0.465 595 G N 2.794 111.590 108.800 -0.006 0.000 2.604 595 G HA2 -0.042 3.918 3.960 -0.000 0.000 0.216 595 G HA3 -0.042 3.918 3.960 -0.000 0.000 0.216 595 G C 0.590 175.472 174.900 -0.030 0.000 1.265 595 G CA 1.078 46.168 45.100 -0.017 0.000 0.804 595 G HN 0.432 nan 8.290 nan 0.000 0.579 596 M N -0.020 119.559 119.600 -0.036 0.000 2.185 596 M HA 0.139 4.619 4.480 -0.000 0.000 0.308 596 M C 1.349 177.602 176.300 -0.078 0.000 0.967 596 M CA 0.778 56.042 55.300 -0.060 0.000 1.027 596 M CB -0.159 32.411 32.600 -0.049 0.000 1.463 596 M HN 0.432 nan 8.290 nan 0.000 0.431 597 L N -1.144 119.993 121.223 -0.143 0.000 3.467 597 L HA -0.456 3.884 4.340 -0.000 0.000 0.185 597 L C 1.699 178.499 176.870 -0.118 0.000 4.356 597 L CA 1.465 56.194 54.840 -0.185 0.000 0.777 597 L CB -1.909 40.078 42.059 -0.120 0.000 3.491 597 L HN 0.815 nan 8.230 nan 0.000 0.841 598 S N -0.721 114.941 115.700 -0.063 0.000 2.383 598 S HA -0.132 4.338 4.470 -0.000 0.000 0.229 598 S C 1.641 176.209 174.600 -0.053 0.000 1.030 598 S CA 2.143 60.318 58.200 -0.042 0.000 1.002 598 S CB -0.104 63.083 63.200 -0.021 0.000 0.829 598 S HN 0.563 nan 8.310 nan 0.000 0.467 599 A N 1.527 124.309 122.820 -0.064 0.000 1.831 599 A HA 0.125 4.445 4.320 -0.000 0.000 0.213 599 A C 2.070 179.604 177.584 -0.083 0.000 1.223 599 A CA 1.369 53.368 52.037 -0.064 0.000 0.604 599 A CB -1.282 17.681 19.000 -0.062 0.000 0.878 599 A HN 0.560 nan 8.150 nan 0.000 0.450 600 L N 0.555 121.706 121.223 -0.120 0.000 1.980 600 L HA -0.310 4.030 4.340 -0.000 0.000 0.232 600 L C 2.680 179.473 176.870 -0.129 0.000 1.092 600 L CA 4.071 58.820 54.840 -0.152 0.000 0.808 600 L CB -1.492 40.401 42.059 -0.278 0.000 0.908 600 L HN 0.658 nan 8.230 nan 0.000 0.442 601 T N -2.113 112.351 114.554 -0.150 0.000 2.536 601 T HA -0.338 4.012 4.350 -0.000 0.000 0.263 601 T C 2.007 176.668 174.700 -0.065 0.000 1.115 601 T CA 2.838 64.876 62.100 -0.104 0.000 1.180 601 T CB -1.728 67.084 68.868 -0.093 0.000 0.864 601 T HN 0.730 nan 8.240 nan 0.000 0.419 602 S N 1.617 117.284 115.700 -0.054 0.000 2.462 602 S HA 0.026 4.496 4.470 -0.000 0.000 0.243 602 S C 2.116 176.697 174.600 -0.032 0.000 1.003 602 S CA 1.199 59.376 58.200 -0.037 0.000 0.970 602 S CB -1.374 61.806 63.200 -0.032 0.000 0.762 602 S HN 0.869 nan 8.310 nan 0.000 0.510 603 G N 1.342 110.120 108.800 -0.038 0.000 2.518 603 G HA2 0.006 3.966 3.960 -0.000 0.000 0.213 603 G HA3 0.006 3.966 3.960 -0.000 0.000 0.213 603 G C 1.346 176.235 174.900 -0.020 0.000 1.226 603 G CA 0.551 45.636 45.100 -0.025 0.000 0.822 603 G HN 0.443 nan 8.290 nan 0.000 0.546 604 V N 2.206 122.104 119.914 -0.026 0.000 2.418 604 V HA -0.229 3.891 4.120 -0.000 0.000 0.258 604 V C 3.010 179.096 176.094 -0.014 0.000 1.088 604 V CA 2.138 64.428 62.300 -0.017 0.000 1.091 604 V CB -1.308 30.500 31.823 -0.024 0.000 0.669 604 V HN 0.471 nan 8.190 nan 0.000 0.461 605 G N 0.359 109.147 108.800 -0.021 0.000 2.666 605 G HA2 -0.355 3.605 3.960 -0.000 0.000 0.215 605 G HA3 -0.355 3.605 3.960 -0.000 0.000 0.215 605 G C 1.779 176.672 174.900 -0.011 0.000 1.294 605 G CA 2.075 47.165 45.100 -0.017 0.000 0.811 605 G HN 0.578 nan 8.290 nan 0.000 0.594 606 T N -0.166 114.382 114.554 -0.011 0.000 2.822 606 T HA 0.037 4.387 4.350 -0.000 0.000 0.270 606 T C 2.460 177.158 174.700 -0.003 0.000 1.064 606 T CA 2.126 64.222 62.100 -0.007 0.000 1.131 606 T CB -0.433 68.432 68.868 -0.006 0.000 0.858 606 T HN 0.508 nan 8.240 nan 0.000 0.483 607 A N 1.706 124.525 122.820 -0.002 0.000 1.908 607 A HA 0.127 4.447 4.320 -0.000 0.000 0.218 607 A C 2.515 180.100 177.584 0.003 0.000 1.181 607 A CA 1.577 53.616 52.037 0.003 0.000 0.627 607 A CB -0.798 18.206 19.000 0.006 0.000 0.818 607 A HN 0.603 nan 8.150 nan 0.000 0.445 608 L N -1.557 119.666 121.223 0.001 0.000 2.156 608 L HA -0.033 4.307 4.340 -0.000 0.000 0.208 608 L C 1.839 178.709 176.870 0.000 0.000 1.095 608 L CA 0.725 55.566 54.840 0.002 0.000 0.770 608 L CB -0.366 41.694 42.059 0.001 0.000 0.914 608 L HN 0.262 nan 8.230 nan 0.000 0.439 609 R N 0.335 120.834 120.500 -0.002 0.000 3.907 609 R HA 0.017 4.357 4.340 -0.000 0.000 0.241 609 R C 0.264 176.563 176.300 -0.003 0.000 1.784 609 R CA 0.671 56.769 56.100 -0.003 0.000 1.509 609 R CB -0.231 30.066 30.300 -0.005 0.000 1.275 609 R HN 0.414 nan 8.270 nan 0.000 0.642 610 T N -7.740 106.814 114.554 -0.001 0.000 3.669 610 T HA -0.015 4.335 4.350 -0.000 0.000 0.294 610 T C 1.673 176.374 174.700 0.001 0.000 0.884 610 T CA 0.045 62.145 62.100 -0.000 0.000 0.815 610 T CB -0.032 68.836 68.868 -0.000 0.000 1.215 610 T HN 0.237 nan 8.240 nan 0.000 0.815 611 G N 1.724 110.526 108.800 0.003 0.000 2.717 611 G HA2 -0.085 3.875 3.960 -0.000 0.000 0.224 611 G HA3 -0.085 3.875 3.960 -0.000 0.000 0.224 611 G C 1.032 175.936 174.900 0.005 0.000 1.088 611 G CA 1.570 46.673 45.100 0.005 0.000 0.734 611 G HN 0.941 nan 8.290 nan 0.000 0.616 612 S N -2.703 112.999 115.700 0.004 0.000 4.158 612 S HA -0.226 4.244 4.470 -0.000 0.000 0.615 612 S C 0.896 175.500 174.600 0.007 0.000 1.866 612 S CA 1.398 59.601 58.200 0.005 0.000 4.249 612 S CB -1.352 61.852 63.200 0.006 0.000 0.202 612 S HN 1.007 nan 8.310 nan 0.000 0.455 613 L N -1.258 119.973 121.223 0.013 0.000 1.967 613 L HA 0.401 4.741 4.340 -0.000 0.000 0.222 613 L C 1.100 177.984 176.870 0.024 0.000 1.189 613 L CA 0.988 55.839 54.840 0.018 0.000 1.303 613 L CB -0.475 41.598 42.059 0.023 0.000 2.607 613 L HN 0.588 nan 8.230 nan 0.000 0.524 614 G N 0.463 109.277 108.800 0.023 0.000 3.530 614 G HA2 0.013 3.973 3.960 -0.000 0.000 0.269 614 G HA3 0.013 3.973 3.960 -0.000 0.000 0.269 614 G C 0.929 175.839 174.900 0.016 0.000 1.314 614 G CA 0.167 45.281 45.100 0.023 0.000 1.441 614 G HN 0.181 nan 8.290 nan 0.000 0.595 615 K N 0.333 120.742 120.400 0.015 0.000 2.283 615 K HA -0.020 4.300 4.320 -0.000 0.000 0.202 615 K C 2.243 178.850 176.600 0.012 0.000 1.048 615 K CA 0.959 57.253 56.287 0.012 0.000 0.948 615 K CB -0.225 32.282 32.500 0.012 0.000 0.742 615 K HN 0.267 nan 8.250 nan 0.000 0.458 616 G N 0.867 109.676 108.800 0.015 0.000 2.708 616 G HA2 -0.145 3.815 3.960 -0.000 0.000 0.210 616 G HA3 -0.145 3.815 3.960 -0.000 0.000 0.210 616 G C 1.180 176.087 174.900 0.012 0.000 1.141 616 G CA 0.253 45.362 45.100 0.015 0.000 0.788 616 G HN 0.245 nan 8.290 nan 0.000 0.531 617 V N 1.101 121.021 119.914 0.010 0.000 2.913 617 V HA -0.013 4.107 4.120 -0.000 0.000 0.260 617 V C 1.368 177.464 176.094 0.004 0.000 1.098 617 V CA 1.268 63.572 62.300 0.006 0.000 1.121 617 V CB -0.631 31.194 31.823 0.004 0.000 0.714 617 V HN 0.270 nan 8.190 nan 0.000 0.487 618 T N 2.268 116.825 114.554 0.004 0.000 2.784 618 T HA 0.067 4.417 4.350 -0.000 0.000 0.291 618 T C 0.417 175.120 174.700 0.004 0.000 0.942 618 T CA 0.493 62.594 62.100 0.003 0.000 1.161 618 T CB 0.069 68.940 68.868 0.004 0.000 0.885 618 T HN 0.619 nan 8.240 nan 0.000 0.534 619 D N 1.441 121.842 120.400 0.001 0.000 2.811 619 D HA -0.220 4.420 4.640 -0.000 0.000 0.231 619 D C 0.959 177.261 176.300 0.004 0.000 1.157 619 D CA 0.838 54.840 54.000 0.002 0.000 0.716 619 D CB -0.994 39.808 40.800 0.004 0.000 1.077 619 D HN 0.757 nan 8.370 nan 0.000 0.428 620 A N -0.241 122.581 122.820 0.004 0.000 2.259 620 A HA 0.106 4.426 4.320 -0.000 0.000 0.208 620 A C 2.128 179.715 177.584 0.004 0.000 1.201 620 A CA 1.313 53.353 52.037 0.005 0.000 0.824 620 A CB 0.245 19.248 19.000 0.006 0.000 0.838 620 A HN 0.286 nan 8.150 nan 0.000 0.485 621 S N -0.119 115.582 115.700 0.002 0.000 2.355 621 S HA -0.063 4.407 4.470 -0.000 0.000 0.216 621 S C 1.723 176.325 174.600 0.002 0.000 1.037 621 S CA 1.058 59.259 58.200 0.002 0.000 0.955 621 S CB -0.242 62.958 63.200 -0.000 0.000 0.877 621 S HN 0.625 nan 8.310 nan 0.000 0.488 622 E N 0.929 121.130 120.200 0.002 0.000 2.150 622 E HA -0.084 4.266 4.350 -0.000 0.000 0.193 622 E C 2.096 178.699 176.600 0.004 0.000 0.985 622 E CA 0.648 57.050 56.400 0.003 0.000 0.814 622 E CB -0.077 29.625 29.700 0.003 0.000 0.752 622 E HN 0.441 nan 8.360 nan 0.000 0.466 623 K N 1.153 121.556 120.400 0.005 0.000 2.057 623 K HA -0.120 4.200 4.320 -0.000 0.000 0.207 623 K C 2.209 178.813 176.600 0.007 0.000 1.049 623 K CA 0.698 56.989 56.287 0.006 0.000 0.931 623 K CB -0.025 32.480 32.500 0.008 0.000 0.714 623 K HN 0.144 nan 8.250 nan 0.000 0.440 624 L N 0.903 122.130 121.223 0.006 0.000 2.005 624 L HA -0.163 4.177 4.340 -0.000 0.000 0.207 624 L C 2.671 179.545 176.870 0.006 0.000 1.072 624 L CA 1.231 56.075 54.840 0.006 0.000 0.744 624 L CB -0.412 41.650 42.059 0.005 0.000 0.895 624 L HN 0.228 nan 8.230 nan 0.000 0.433 625 R N 0.454 120.957 120.500 0.005 0.000 2.159 625 R HA -0.165 4.175 4.340 -0.000 0.000 0.237 625 R C 1.834 178.137 176.300 0.005 0.000 1.131 625 R CA 1.479 57.582 56.100 0.005 0.000 0.982 625 R CB -0.350 29.953 30.300 0.004 0.000 0.868 625 R HN 0.538 nan 8.270 nan 0.000 0.453 626 A N 0.494 123.317 122.820 0.005 0.000 1.970 626 A HA -0.013 4.307 4.320 -0.000 0.000 0.216 626 A C 2.192 179.779 177.584 0.005 0.000 1.170 626 A CA 0.530 52.569 52.037 0.004 0.000 0.645 626 A CB -0.234 18.768 19.000 0.004 0.000 0.816 626 A HN 0.249 nan 8.150 nan 0.000 0.447 627 R N -0.587 119.917 120.500 0.007 0.000 2.092 627 R HA -0.102 4.238 4.340 -0.000 0.000 0.231 627 R C 2.285 178.592 176.300 0.011 0.000 1.119 627 R CA 1.520 57.626 56.100 0.010 0.000 0.970 627 R CB -0.248 30.060 30.300 0.013 0.000 0.864 627 R HN 0.645 nan 8.270 nan 0.000 0.440 628 Q N -0.236 119.570 119.800 0.011 0.000 2.167 628 Q HA -0.107 4.233 4.340 -0.000 0.000 0.202 628 Q C 2.132 178.138 176.000 0.010 0.000 0.970 628 Q CA 1.517 57.327 55.803 0.012 0.000 0.855 628 Q CB 0.002 28.746 28.738 0.011 0.000 0.911 628 Q HN 0.164 nan 8.270 nan 0.000 0.438 629 S N 0.160 115.863 115.700 0.006 0.000 2.382 629 S HA -0.107 4.363 4.470 -0.000 0.000 0.228 629 S C 1.785 176.385 174.600 -0.001 0.000 1.027 629 S CA 0.865 59.067 58.200 0.003 0.000 0.991 629 S CB -0.070 63.130 63.200 0.001 0.000 0.823 629 S HN 0.327 nan 8.310 nan 0.000 0.469 630 L N 0.369 121.592 121.223 -0.001 0.000 2.072 630 L HA -0.013 4.327 4.340 -0.000 0.000 0.205 630 L C 2.966 179.830 176.870 -0.010 0.000 1.079 630 L CA 1.622 56.456 54.840 -0.009 0.000 0.752 630 L CB -1.013 41.042 42.059 -0.007 0.000 0.906 630 L HN 0.368 nan 8.230 nan 0.000 0.436 631 T N -0.875 113.682 114.554 0.005 0.000 2.881 631 T HA -0.119 4.231 4.350 -0.000 0.000 0.270 631 T C 1.802 176.511 174.700 0.015 0.000 1.068 631 T CA 0.942 63.052 62.100 0.017 0.000 1.131 631 T CB 0.024 68.915 68.868 0.038 0.000 0.871 631 T HN 0.055 nan 8.240 nan 0.000 0.479 632 V N 1.098 121.019 119.914 0.011 0.000 2.453 632 V HA 0.049 4.169 4.120 -0.000 0.000 0.247 632 V C 2.859 178.955 176.094 0.004 0.000 1.048 632 V CA 1.598 63.906 62.300 0.014 0.000 1.049 632 V CB -0.870 30.960 31.823 0.012 0.000 0.672 632 V HN 0.604 nan 8.190 nan 0.000 0.457 633 A N -0.382 122.433 122.820 -0.009 0.000 1.970 633 A HA -0.156 4.164 4.320 -0.000 0.000 0.216 633 A C 2.278 179.841 177.584 -0.035 0.000 1.170 633 A CA 1.659 53.686 52.037 -0.016 0.000 0.645 633 A CB -0.331 18.655 19.000 -0.024 0.000 0.816 633 A HN 0.504 nan 8.150 nan 0.000 0.447 634 K N -0.554 119.805 120.400 -0.069 0.000 2.217 634 K HA -0.170 4.150 4.320 -0.000 0.000 0.202 634 K C 2.116 178.566 176.600 -0.249 0.000 1.051 634 K CA 1.431 57.618 56.287 -0.166 0.000 0.952 634 K CB -0.063 32.323 32.500 -0.190 0.000 0.736 634 K HN 0.368 nan 8.250 nan 0.000 0.453 635 Q N 0.881 120.636 119.800 -0.074 0.000 2.119 635 Q HA -0.031 4.309 4.340 -0.000 0.000 0.201 635 Q C 1.683 177.703 176.000 0.034 0.000 0.972 635 Q CA 1.841 57.670 55.803 0.043 0.000 0.847 635 Q CB -0.360 28.432 28.738 0.089 0.000 0.903 635 Q HN 0.368 nan 8.270 nan 0.000 0.433 636 A N -0.125 122.705 122.820 0.017 0.000 1.933 636 A HA -0.135 4.185 4.320 -0.000 0.000 0.218 636 A C 2.049 179.672 177.584 0.065 0.000 1.175 636 A CA 1.340 53.399 52.037 0.037 0.000 0.628 636 A CB -1.018 18.001 19.000 0.031 0.000 0.814 636 A HN 0.624 nan 8.150 nan 0.000 0.444 637 F N -0.446 119.419 119.950 -0.143 0.000 2.039 637 F HA -0.164 4.363 4.527 -0.000 0.000 0.294 637 F C 1.925 177.688 175.800 -0.062 0.000 1.130 637 F CA 1.696 59.602 58.000 -0.156 0.000 1.189 637 F CB -0.274 38.548 39.000 -0.297 0.000 0.983 637 F HN 0.198 nan 8.300 nan 0.000 0.471 638 F N 1.657 121.363 119.950 -0.407 0.000 2.184 638 F HA -0.263 4.264 4.527 -0.000 0.000 0.301 638 F C 2.308 177.920 175.800 -0.312 0.000 1.076 638 F CA 1.367 59.060 58.000 -0.513 0.000 1.295 638 F CB -1.357 37.507 39.000 -0.226 0.000 1.026 638 F HN 0.166 nan 8.300 nan 0.000 0.494 639 D N -0.367 120.044 120.400 0.019 0.000 2.178 639 D HA -0.150 4.490 4.640 -0.000 0.000 0.202 639 D C 2.132 178.421 176.300 -0.019 0.000 0.974 639 D CA 1.063 55.070 54.000 0.011 0.000 0.841 639 D CB -0.229 40.589 40.800 0.030 0.000 0.953 639 D HN 0.441 nan 8.370 nan 0.000 0.478 640 Q N -0.044 119.733 119.800 -0.039 0.000 2.123 640 Q HA 0.012 4.352 4.340 -0.000 0.000 0.196 640 Q C 2.351 178.345 176.000 -0.010 0.000 0.958 640 Q CA 0.285 56.086 55.803 -0.003 0.000 0.841 640 Q CB 0.326 29.101 28.738 0.062 0.000 0.915 640 Q HN 0.195 nan 8.270 nan 0.000 0.455 641 I N 0.964 121.424 120.570 -0.183 0.000 2.315 641 I HA -0.217 3.953 4.170 -0.000 0.000 0.251 641 I C 2.152 178.239 176.117 -0.050 0.000 1.125 641 I CA 1.747 62.902 61.300 -0.242 0.000 1.392 641 I CB -1.242 36.336 38.000 -0.703 0.000 1.065 641 I HN 0.328 nan 8.210 nan 0.000 0.424 642 G N 0.045 108.804 108.800 -0.069 0.000 2.484 642 G HA2 -0.156 3.804 3.960 -0.000 0.000 0.218 642 G HA3 -0.156 3.804 3.960 -0.000 0.000 0.218 642 G C 1.717 176.628 174.900 0.018 0.000 1.130 642 G CA 1.007 46.094 45.100 -0.021 0.000 0.784 642 G HN 0.551 nan 8.290 nan 0.000 0.543 643 S N 0.223 115.935 115.700 0.019 0.000 2.541 643 S HA 0.156 4.626 4.470 -0.000 0.000 0.219 643 S C 2.232 176.825 174.600 -0.012 0.000 1.025 643 S CA 0.279 58.481 58.200 0.004 0.000 0.917 643 S CB -0.572 62.620 63.200 -0.012 0.000 0.859 643 S HN 0.152 nan 8.310 nan 0.000 0.584 644 L N -0.149 121.044 121.223 -0.049 0.000 1.991 644 L HA -0.111 4.229 4.340 -0.000 0.000 0.221 644 L C 1.063 177.769 176.870 -0.273 0.000 1.079 644 L CA 1.482 56.174 54.840 -0.247 0.000 0.778 644 L CB -0.742 41.055 42.059 -0.437 0.000 0.893 644 L HN 0.469 nan 8.230 nan 0.000 0.437 645 W N 1.809 123.114 121.300 0.008 0.000 2.175 645 W HA 0.274 4.934 4.660 -0.000 0.000 0.350 645 W C -1.971 174.539 176.519 -0.014 0.000 0.877 645 W CA -1.868 55.493 57.345 0.026 0.000 1.544 645 W CB -0.273 29.248 29.460 0.102 0.000 1.585 645 W HN 0.048 nan 8.180 nan 0.000 0.347 646 P HA 0.000 nan 4.420 nan 0.000 0.216 646 P CA 0.000 63.140 63.100 0.067 0.000 0.800 646 P CB 0.000 31.714 31.700 0.023 0.000 0.726