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_F 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 -0.244 0.000 0.726 44 T N -1.601 113.111 114.554 0.263 0.000 2.700 44 T HA 0.673 5.023 4.350 -0.000 0.000 0.307 44 T C -0.358 174.524 174.700 0.303 0.000 1.580 44 T CA 0.343 62.636 62.100 0.322 0.000 0.992 44 T CB 1.454 70.428 68.868 0.178 0.000 1.577 44 T HN 1.311 nan 8.240 nan 0.000 0.496 45 G N 1.324 110.301 108.800 0.295 0.000 2.725 45 G HA2 -0.075 3.885 3.960 -0.000 0.000 0.220 45 G HA3 -0.075 3.885 3.960 -0.000 0.000 0.220 45 G C -1.035 174.113 174.900 0.414 0.000 1.357 45 G CA -0.657 44.634 45.100 0.318 0.000 0.866 45 G HN 0.818 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 0.502 4.822 4.320 -0.000 0.000 0.264 46 K C 0.518 177.430 176.600 0.521 0.000 1.010 46 K CA -0.381 56.118 56.287 0.354 0.000 0.940 46 K CB 1.569 34.120 32.500 0.084 0.000 0.983 46 K HN 0.915 nan 8.250 nan 0.000 0.475 47 L N 0.617 122.093 121.223 0.421 0.000 2.350 47 L HA 0.448 4.788 4.340 -0.000 0.000 0.275 47 L C -1.360 175.703 176.870 0.321 0.000 1.099 47 L CA -0.229 54.868 54.840 0.427 0.000 0.808 47 L CB 0.432 42.435 42.059 -0.093 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 0.785 5.445 4.660 -0.000 0.000 0.355 48 W C -0.347 176.213 176.519 0.069 0.000 1.102 48 W CA -0.876 56.516 57.345 0.078 0.000 1.164 48 W CB 0.994 30.517 29.460 0.105 0.000 1.422 48 W HN 0.437 nan 8.180 nan 0.000 0.572 49 R N 0.498 121.174 120.500 0.294 0.000 2.668 49 R HA 0.331 4.671 4.340 -0.000 0.000 0.272 49 R C -2.700 173.718 176.300 0.196 0.000 1.019 49 R CA -2.083 54.135 56.100 0.196 0.000 0.894 49 R CB 2.255 32.590 30.300 0.059 0.000 1.228 49 R HN 0.015 nan 8.270 nan 0.000 0.460 50 P HA -0.044 nan 4.420 nan 0.000 0.257 50 P C 0.748 178.103 177.300 0.093 0.000 1.227 50 P CA 0.258 63.444 63.100 0.143 0.000 0.981 50 P CB 0.361 32.146 31.700 0.143 0.000 1.044 51 V N 3.731 123.698 119.914 0.088 0.000 2.490 51 V HA -0.154 3.966 4.120 -0.000 0.000 0.250 51 V C 2.253 178.374 176.094 0.046 0.000 1.061 51 V CA 2.682 65.018 62.300 0.060 0.000 1.064 51 V CB -1.080 30.777 31.823 0.058 0.000 0.670 51 V HN 0.636 nan 8.190 nan 0.000 0.461 52 G N -1.498 107.331 108.800 0.047 0.000 2.920 52 G HA2 0.133 4.093 3.960 -0.000 0.000 0.208 52 G HA3 0.133 4.093 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 0.888 46.009 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 62.496 62.100 0.038 0.000 4.077 53 T CB -1.152 67.731 68.868 0.025 0.000 2.303 53 T HN 0.944 nan 8.240 nan 0.000 0.398 54 S N -1.431 114.295 115.700 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 1.438 59.664 58.200 0.044 0.000 4.227 54 S CB -1.183 62.035 63.200 0.029 0.000 0.452 54 S HN 2.213 nan 8.310 nan 0.000 0.455 55 V N 3.663 123.602 119.914 0.042 0.000 2.452 55 V HA 0.395 4.515 4.120 -0.000 0.000 0.286 55 V C 0.343 176.459 176.094 0.037 0.000 0.995 55 V CA 0.524 62.844 62.300 0.034 0.000 1.116 55 V CB -0.180 31.653 31.823 0.015 0.000 0.954 55 V HN 0.972 nan 8.190 nan 0.000 0.473 56 A N 5.956 128.799 122.820 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 51.710 52.037 -0.008 0.000 0.984 56 A CB 0.316 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 0.812 175.445 174.700 -0.111 0.000 0.995 57 T CA -0.466 61.578 62.100 -0.094 0.000 0.966 57 T CB 0.658 69.496 68.868 -0.050 0.000 1.237 57 T HN 0.410 nan 8.240 nan 0.000 0.591 58 I N 2.277 122.786 120.570 -0.101 0.000 3.309 58 I HA 0.109 4.279 4.170 -0.000 0.000 0.287 58 I C 0.181 176.269 176.117 -0.048 0.000 1.221 58 I CA 0.391 61.631 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 -1.909 118.479 120.400 -0.021 0.000 1.999 59 D HA -0.155 4.484 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 0.467 54.478 54.000 0.018 0.000 1.286 59 D CB -0.624 40.181 40.800 0.008 0.000 1.248 59 D HN 0.142 nan 8.370 nan 0.000 0.365 60 S N 0.587 116.302 115.700 0.026 0.000 2.710 60 S HA 0.344 4.814 4.470 -0.000 0.000 0.224 60 S C 0.565 175.213 174.600 0.080 0.000 0.948 60 S CA -0.552 57.674 58.200 0.043 0.000 0.949 60 S CB -0.493 62.724 63.200 0.028 0.000 0.778 60 S HN 0.280 nan 8.310 nan 0.000 0.498 61 L N 0.804 122.092 121.223 0.109 0.000 2.397 61 L HA 0.889 5.229 4.340 -0.000 0.000 0.266 61 L C 0.059 177.086 176.870 0.262 0.000 1.040 61 L CA -0.792 54.171 54.840 0.205 0.000 0.800 61 L CB 1.512 43.699 42.059 0.213 0.000 1.324 61 L HN 0.320 nan 8.230 nan 0.000 0.469 62 A N 0.848 123.883 122.820 0.358 0.000 2.590 62 A HA 0.325 4.645 4.320 -0.000 0.000 0.309 62 A C -0.904 176.686 177.584 0.011 0.000 1.039 62 A CA -0.727 51.434 52.037 0.205 0.000 0.824 62 A CB 0.485 19.539 19.000 0.090 0.000 1.247 62 A HN 0.431 nan 8.150 nan 0.000 0.394 63 I N 2.690 122.988 120.570 -0.453 0.000 2.943 63 I HA -0.067 4.103 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 0.530 61.401 61.300 -0.714 0.000 1.409 63 I CB 0.164 37.687 38.000 -0.795 0.000 1.374 63 I HN 0.381 nan 8.210 nan 0.000 0.545 64 V N 6.811 126.646 119.914 -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 0.334 62.625 62.300 -0.014 0.000 1.349 64 V CB -0.496 31.323 31.823 -0.006 0.000 1.428 64 V HN 0.839 nan 8.190 nan 0.000 0.495 65 S N 2.933 118.634 115.700 0.003 0.000 2.707 65 S HA 0.642 5.112 4.470 -0.000 0.000 0.276 65 S C -0.369 174.277 174.600 0.077 0.000 1.179 65 S CA -0.172 58.043 58.200 0.024 0.000 0.992 65 S CB 1.267 64.443 63.200 -0.040 0.000 1.030 65 S HN 0.992 nan 8.310 nan 0.000 0.554 66 D N -0.168 120.275 120.400 0.072 0.000 3.038 66 D HA 0.006 4.646 4.640 -0.000 0.000 0.351 66 D C 0.430 176.746 176.300 0.026 0.000 1.442 66 D CA -0.509 53.536 54.000 0.075 0.000 0.802 66 D CB -0.249 40.650 40.800 0.166 0.000 1.406 66 D HN 0.610 nan 8.370 nan 0.000 0.488 67 R N -0.324 120.155 120.500 -0.035 0.000 2.276 67 R HA -0.062 4.278 4.340 -0.000 0.000 0.243 67 R C 0.890 177.020 176.300 -0.284 0.000 1.161 67 R CA 1.643 57.631 56.100 -0.188 0.000 1.007 67 R CB -0.656 29.463 30.300 -0.300 0.000 0.867 67 R HN 0.205 nan 8.270 nan 0.000 0.472 68 F N 0.091 120.037 119.950 -0.007 0.000 2.704 68 F HA 0.396 4.923 4.527 -0.000 0.000 0.304 68 F C 1.452 177.157 175.800 -0.159 0.000 1.094 68 F CA 0.657 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 0.415 nan 8.300 nan 0.000 0.586 69 G N 0.324 109.125 108.800 0.002 0.000 2.428 69 G HA2 -0.119 3.841 3.960 -0.000 0.000 0.202 69 G HA3 -0.119 3.841 3.960 -0.000 0.000 0.202 69 G C -0.886 173.909 174.900 -0.175 0.000 1.247 69 G CA -1.035 44.017 45.100 -0.080 0.000 1.020 69 G HN 0.046 nan 8.290 nan 0.000 0.529 70 Q N -0.277 119.408 119.800 -0.191 0.000 2.307 70 Q HA 0.547 4.887 4.340 -0.000 0.000 0.262 70 Q C -1.107 174.751 176.000 -0.237 0.000 0.961 70 Q CA -0.577 55.119 55.803 -0.178 0.000 0.882 70 Q CB 1.645 30.323 28.738 -0.100 0.000 1.264 70 Q HN 0.478 nan 8.270 nan 0.000 0.446 71 Y N 1.340 121.662 120.300 0.037 0.000 2.605 71 Y HA 0.034 4.584 4.550 -0.000 0.000 0.336 71 Y C 0.781 176.828 175.900 0.245 0.000 1.111 71 Y CA -0.062 58.105 58.100 0.112 0.000 1.422 71 Y CB 0.459 38.904 38.460 -0.025 0.000 1.193 71 Y HN 0.413 nan 8.280 nan 0.000 0.526 72 S N 4.437 120.358 115.700 0.369 0.000 2.475 72 S HA 0.471 4.941 4.470 -0.000 0.000 0.298 72 S C -0.701 174.217 174.600 0.529 0.000 1.119 72 S CA -0.948 57.495 58.200 0.404 0.000 1.085 72 S CB 0.779 64.113 63.200 0.224 0.000 1.028 72 S HN 0.448 nan 8.310 nan 0.000 0.489 73 F N 3.247 123.398 119.950 0.334 0.000 2.563 73 F HA 0.371 4.898 4.527 -0.000 0.000 0.363 73 F C -0.078 175.657 175.800 -0.109 0.000 1.123 73 F CA -0.687 57.234 58.000 -0.132 0.000 1.307 73 F CB 0.622 39.529 39.000 -0.155 0.000 1.115 73 F HN 0.434 nan 8.300 nan 0.000 0.592 74 V N 6.872 126.171 119.914 -1.026 0.000 2.204 74 V HA 0.103 4.223 4.120 -0.000 0.000 0.264 74 V C -0.390 174.985 176.094 -1.198 0.000 1.106 74 V CA -0.883 60.946 62.300 -0.785 0.000 0.947 74 V CB -0.530 31.072 31.823 -0.369 0.000 1.164 74 V HN 0.829 nan 8.190 nan 0.000 0.461 75 N N 1.913 119.919 118.700 -1.157 0.000 2.329 75 N HA -0.083 4.657 4.740 -0.000 0.000 0.237 75 N C 1.143 176.408 175.510 -0.407 0.000 1.258 75 N CA -0.066 52.561 53.050 -0.706 0.000 0.866 75 N CB 0.730 39.079 38.487 -0.230 0.000 1.102 75 N HN 0.322 nan 8.380 nan 0.000 0.440 76 E N 1.314 121.375 120.200 -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 58.423 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 0.589 109.294 108.800 -0.158 0.000 2.422 77 G HA2 -0.236 3.724 3.960 -0.000 0.000 0.218 77 G HA3 -0.236 3.724 3.960 -0.000 0.000 0.218 77 G C 1.575 176.336 174.900 -0.231 0.000 1.140 77 G CA 0.824 45.827 45.100 -0.160 0.000 0.775 77 G HN 0.295 nan 8.290 nan 0.000 0.545 78 M N 0.827 120.250 119.600 -0.294 0.000 2.549 78 M HA 0.067 4.547 4.480 -0.000 0.000 0.260 78 M C 2.354 178.306 176.300 -0.580 0.000 1.076 78 M CA 0.906 55.932 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 -0.440 119.850 120.500 -0.350 0.000 2.210 79 R HA -0.076 4.264 4.340 -0.000 0.000 0.203 79 R C 1.359 177.560 176.300 -0.165 0.000 1.010 79 R CA 0.939 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 0.458 120.548 120.200 -0.183 0.000 2.110 80 E HA -0.087 4.263 4.350 -0.000 0.000 0.193 80 E C 1.541 178.078 176.600 -0.105 0.000 0.988 80 E CA 2.047 58.373 56.400 -0.124 0.000 0.804 80 E CB -0.144 29.482 29.700 -0.123 0.000 0.745 80 E HN 0.336 nan 8.360 nan 0.000 0.458 81 T N -0.041 114.396 114.554 -0.194 0.000 2.639 81 T HA -0.085 4.265 4.350 -0.000 0.000 0.261 81 T C 1.705 176.444 174.700 0.066 0.000 1.053 81 T CA 1.284 63.310 62.100 -0.123 0.000 1.158 81 T CB -0.683 68.027 68.868 -0.264 0.000 0.863 81 T HN 0.205 nan 8.240 nan 0.000 0.413 82 F N 1.187 121.131 119.950 -0.010 0.000 2.307 82 F HA -0.106 4.421 4.527 -0.000 0.000 0.301 82 F C 2.910 178.734 175.800 0.039 0.000 1.076 82 F CA 0.189 58.190 58.000 0.001 0.000 1.383 82 F CB -0.244 38.744 39.000 -0.020 0.000 1.055 82 F HN 0.188 nan 8.300 nan 0.000 0.526 83 S N 0.014 115.830 115.700 0.193 0.000 2.388 83 S HA -0.095 4.375 4.470 -0.000 0.000 0.223 83 S C 1.985 176.697 174.600 0.187 0.000 1.034 83 S CA 0.608 58.904 58.200 0.159 0.000 0.963 83 S CB -0.055 63.189 63.200 0.073 0.000 0.827 83 S HN 0.240 nan 8.310 nan 0.000 0.481 84 K N 0.541 121.025 120.400 0.139 0.000 2.211 84 K HA 0.040 4.360 4.320 -0.000 0.000 0.203 84 K C 2.003 178.744 176.600 0.235 0.000 1.050 84 K CA 0.954 57.342 56.287 0.169 0.000 0.945 84 K CB -0.209 32.342 32.500 0.084 0.000 0.732 84 K HN 0.373 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 -0.049 4.271 4.320 -0.000 0.000 0.214 85 A C 1.978 179.672 177.584 0.184 0.000 1.189 85 A CA 0.829 52.977 52.037 0.185 0.000 0.615 85 A CB -0.436 18.669 19.000 0.176 0.000 0.830 85 A HN 0.202 nan 8.150 nan 0.000 0.443 86 L N -1.768 119.571 121.223 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 1.354 56.302 54.840 0.180 0.000 0.755 86 L CB -0.563 41.608 42.059 0.186 0.000 0.904 86 L HN 0.500 nan 8.230 nan 0.000 0.435 87 F N 1.669 121.681 119.950 0.104 0.000 2.126 87 F HA -0.283 4.244 4.527 -0.000 0.000 0.299 87 F C 2.095 177.962 175.800 0.110 0.000 1.096 87 F CA 2.045 60.096 58.000 0.086 0.000 1.255 87 F CB -0.284 38.748 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 -0.116 4.524 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 -0.164 40.735 40.800 0.164 0.000 0.909 88 D HN 0.458 nan 8.370 nan 0.000 0.520 89 I N -0.388 120.285 120.570 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 0.018 61.517 61.300 0.332 0.000 1.446 89 I CB -0.250 37.899 38.000 0.249 0.000 1.176 89 I HN -0.058 nan 8.210 nan 0.000 0.446 90 N N 1.376 120.160 118.700 0.139 0.000 2.137 90 N HA -0.257 4.483 4.740 -0.000 0.000 0.190 90 N C 1.884 177.431 175.510 0.062 0.000 1.017 90 N CA 1.540 54.651 53.050 0.100 0.000 0.859 90 N CB -0.386 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 -0.464 119.062 119.600 -0.125 0.000 2.116 91 M HA -0.198 4.282 4.480 -0.000 0.000 0.255 91 M C 0.644 176.868 176.300 -0.126 0.000 1.075 91 M CA 1.723 56.892 55.300 -0.218 0.000 1.087 91 M CB -0.237 32.110 32.600 -0.422 0.000 1.340 91 M HN 0.180 nan 8.290 nan 0.000 0.402 92 W N 0.423 121.760 121.300 0.063 0.000 3.468 92 W HA 0.011 4.671 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 -0.360 56.987 57.345 0.004 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 2.212 122.164 119.800 0.253 0.000 2.061 93 Q HA -0.181 4.159 4.340 -0.000 0.000 0.204 93 Q C -0.149 175.911 176.000 0.100 0.000 0.984 93 Q CA 1.999 57.954 55.803 0.253 0.000 0.846 93 Q CB -1.466 27.357 28.738 0.142 0.000 0.902 93 Q HN 0.093 nan 8.270 nan 0.000 0.421 94 P HA -0.146 nan 4.420 nan 0.000 0.221 94 P C 0.908 178.051 177.300 -0.262 0.000 1.145 94 P CA 0.875 63.910 63.100 -0.109 0.000 0.795 94 P CB 0.124 31.750 31.700 -0.124 0.000 0.775 95 L N -2.405 118.574 121.223 -0.405 0.000 2.477 95 L HA 0.235 4.575 4.340 -0.000 0.000 0.220 95 L C 2.117 178.398 176.870 -0.982 0.000 1.106 95 L CA 0.779 55.089 54.840 -0.884 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 -0.155 119.549 119.950 -0.409 0.000 2.163 96 F HA -0.127 4.400 4.527 -0.000 0.000 0.297 96 F C 2.479 178.188 175.800 -0.153 0.000 1.094 96 F CA 1.194 59.082 58.000 -0.188 0.000 1.290 96 F CB -0.422 38.602 39.000 0.041 0.000 1.017 96 F HN 0.178 nan 8.300 nan 0.000 0.483 97 Q N -0.094 119.731 119.800 0.042 0.000 2.016 97 Q HA -0.111 4.229 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 1.365 57.175 55.803 0.012 0.000 0.833 97 Q CB -0.662 28.083 28.738 0.012 0.000 0.895 97 Q HN 0.361 nan 8.270 nan 0.000 0.427 98 A N 1.477 124.200 122.820 -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 2.184 54.120 52.037 -0.170 0.000 0.638 98 A CB -1.178 17.605 19.000 -0.362 0.000 0.823 98 A HN 0.526 nan 8.150 nan 0.000 0.451 99 T N -4.561 109.797 114.554 -0.328 0.000 3.312 99 T HA 0.279 4.629 4.350 -0.000 0.000 0.251 99 T C 0.535 175.245 174.700 0.016 0.000 1.012 99 T CA 0.363 62.368 62.100 -0.158 0.000 0.925 99 T CB 0.059 68.764 68.868 -0.271 0.000 1.049 99 T HN 0.339 nan 8.240 nan 0.000 0.583 100 K N 0.140 120.560 120.400 0.034 0.000 3.184 100 K HA -0.190 4.130 4.320 -0.000 0.000 0.301 100 K C 0.770 177.441 176.600 0.118 0.000 1.170 100 K CA 1.323 57.654 56.287 0.073 0.000 0.897 100 K CB -2.364 30.175 32.500 0.065 0.000 1.218 100 K HN 0.690 nan 8.250 nan 0.000 0.441 101 T N -1.671 113.002 114.554 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 1.192 63.455 62.100 0.271 0.000 0.912 101 T CB 0.340 69.466 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 0.238 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 0.618 175.448 174.900 -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 -2.906 116.304 119.300 -0.150 0.000 3.951 103 C HA 0.685 5.145 4.460 -0.000 0.000 0.395 103 C C 1.088 176.032 174.990 -0.077 0.000 2.815 103 C CA 0.382 59.353 59.018 -0.078 0.000 1.527 103 C CB -0.946 26.752 27.740 -0.069 0.000 2.094 103 C HN 3.161 nan 8.230 nan 0.000 0.423 104 G N 1.069 109.821 108.800 -0.082 0.000 2.612 104 G HA2 0.298 4.258 3.960 -0.000 0.000 0.686 104 G HA3 0.298 4.258 3.960 -0.000 0.000 0.686 104 G C -3.171 171.688 174.900 -0.068 0.000 1.274 104 G CA -0.406 44.664 45.100 -0.051 0.000 0.849 104 G HN 0.367 nan 8.290 nan 0.000 0.595 105 P HA 0.468 nan 4.420 nan 0.000 0.276 105 P C 0.126 177.421 177.300 -0.009 0.000 1.230 105 P CA -0.330 62.767 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 2.971 123.550 120.570 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 -0.485 60.847 61.300 0.052 0.000 1.277 106 I CB 0.266 38.334 38.000 0.113 0.000 1.434 106 I HN 0.001 nan 8.210 nan 0.000 0.498 107 V N 7.050 126.983 119.914 0.031 0.000 2.498 107 V HA 0.010 4.130 4.120 -0.000 0.000 0.279 107 V C 1.026 177.169 176.094 0.082 0.000 1.048 107 V CA -0.521 61.806 62.300 0.046 0.000 0.967 107 V CB 1.646 33.468 31.823 -0.002 0.000 0.988 107 V HN 0.634 nan 8.190 nan 0.000 0.473 108 L N 5.224 126.540 121.223 0.155 0.000 2.353 108 L HA -0.066 4.274 4.340 -0.000 0.000 0.220 108 L C 2.263 179.235 176.870 0.170 0.000 1.133 108 L CA 1.936 56.924 54.840 0.248 0.000 0.798 108 L CB -0.499 41.694 42.059 0.223 0.000 0.922 108 L HN 0.874 nan 8.230 nan 0.000 0.445 109 S N -2.420 113.319 115.700 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 0.463 58.677 58.200 0.023 0.000 0.943 109 S CB -0.735 62.471 63.200 0.011 0.000 0.779 109 S HN 0.607 nan 8.310 nan 0.000 0.526 110 S N -0.263 115.336 115.700 -0.169 0.000 2.511 110 S HA 0.319 4.789 4.470 -0.000 0.000 0.214 110 S C 0.758 175.071 174.600 -0.478 0.000 0.997 110 S CA -0.487 57.491 58.200 -0.370 0.000 0.908 110 S CB -0.503 62.361 63.200 -0.561 0.000 0.803 110 S HN 0.442 nan 8.310 nan 0.000 0.504 111 F N 2.965 122.907 119.950 -0.013 0.000 2.731 111 F HA 0.299 4.826 4.527 -0.000 0.000 0.298 111 F C 1.658 177.456 175.800 -0.004 0.000 1.106 111 F CA 0.158 58.144 58.000 -0.025 0.000 1.329 111 F CB -0.130 38.846 39.000 -0.039 0.000 1.100 111 F HN 0.275 nan 8.300 nan 0.000 0.592 112 T N -2.101 112.551 114.554 0.163 0.000 2.902 112 T HA 0.702 5.052 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 0.114 62.305 62.100 0.152 0.000 0.941 112 T CB 1.528 70.480 68.868 0.140 0.000 1.432 112 T HN 0.103 nan 8.240 nan 0.000 0.586 113 T N -3.618 111.030 114.554 0.157 0.000 2.711 113 T HA 0.526 4.876 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 1.263 70.193 68.868 0.104 0.000 1.483 113 T HN 0.557 nan 8.240 nan 0.000 0.499 114 T N 2.073 116.691 114.554 0.106 0.000 3.514 114 T HA 0.457 4.807 4.350 -0.000 0.000 0.259 114 T C 0.070 174.823 174.700 0.088 0.000 1.466 114 T CA -0.425 61.756 62.100 0.135 0.000 1.562 114 T CB -0.118 68.795 68.868 0.075 0.000 0.924 114 T HN 0.834 nan 8.240 nan 0.000 0.678 115 T N 1.834 116.442 114.554 0.090 0.000 2.771 115 T HA 0.652 5.002 4.350 -0.000 0.000 0.290 115 T C 0.282 174.970 174.700 -0.020 0.000 1.005 115 T CA -0.856 61.153 62.100 -0.152 0.000 0.944 115 T CB 0.820 69.350 68.868 -0.562 0.000 1.147 115 T HN 0.469 nan 8.240 nan 0.000 0.534 116 S N -1.581 114.021 115.700 -0.163 0.000 2.543 116 S HA 0.806 5.276 4.470 -0.000 0.000 0.273 116 S C -0.351 174.130 174.600 -0.199 0.000 1.152 116 S CA -0.532 57.619 58.200 -0.080 0.000 0.910 116 S CB 1.831 65.001 63.200 -0.050 0.000 1.105 116 S HN 1.335 nan 8.310 nan 0.000 0.465 117 G N 0.771 109.448 108.800 -0.206 0.000 2.392 117 G HA2 0.465 4.425 3.960 -0.000 0.000 0.260 117 G HA3 0.465 4.425 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 -0.703 44.205 45.100 -0.320 0.000 0.913 117 G HN 0.571 nan 8.290 nan 0.000 0.483 118 Y N -0.441 119.890 120.300 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 -0.692 57.421 58.100 0.021 0.000 1.125 118 Y CB 2.036 40.480 38.460 -0.027 0.000 1.194 118 Y HN 0.397 nan 8.280 nan 0.000 0.469 119 V N 4.464 124.488 119.914 0.183 0.000 2.349 119 V HA 0.938 5.058 4.120 -0.000 0.000 0.284 119 V C -0.272 175.882 176.094 0.099 0.000 1.014 119 V CA 0.167 62.608 62.300 0.235 0.000 0.826 119 V CB 0.437 32.392 31.823 0.221 0.000 1.009 119 V HN 0.885 nan 8.190 nan 0.000 0.431 120 G N 4.004 112.820 108.800 0.027 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 0.328 175.322 174.900 0.156 0.000 1.291 120 G CA 0.041 45.113 45.100 -0.048 0.000 0.834 120 G HN 1.093 nan 8.290 nan 0.000 0.564 121 A N -1.362 121.498 122.820 0.067 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 -0.124 18.955 19.000 0.131 0.000 0.858 121 A HN 1.763 nan 8.150 nan 0.000 0.474 122 T N -5.515 108.940 114.554 -0.166 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 -0.928 0.000 1.229 122 T CA 0.325 62.238 62.100 -0.312 0.000 1.044 122 T CB 1.153 70.010 68.868 -0.019 0.000 1.184 122 T HN 0.961 nan 8.240 nan 0.000 0.477 123 A N 2.892 125.090 122.820 -1.036 0.000 1.923 123 A HA -0.091 4.229 4.320 -0.000 0.000 0.222 123 A C 2.405 179.728 177.584 -0.435 0.000 1.258 123 A CA 3.246 54.900 52.037 -0.638 0.000 0.670 123 A CB -1.883 17.074 19.000 -0.072 0.000 0.834 123 A HN 1.635 nan 8.150 nan 0.000 0.470 124 G N 0.154 108.790 108.800 -0.272 0.000 2.514 124 G HA2 -0.345 3.615 3.960 -0.000 0.000 0.217 124 G HA3 -0.345 3.615 3.960 -0.000 0.000 0.217 124 G C 1.146 175.911 174.900 -0.226 0.000 1.198 124 G CA 1.776 46.757 45.100 -0.199 0.000 0.780 124 G HN 0.859 nan 8.290 nan 0.000 0.565 125 D N -0.045 120.209 120.400 -0.243 0.000 2.333 125 D HA 0.361 5.001 4.640 -0.000 0.000 0.208 125 D C 2.241 178.388 176.300 -0.254 0.000 0.984 125 D CA 0.948 54.827 54.000 -0.202 0.000 0.873 125 D CB -0.178 40.539 40.800 -0.138 0.000 0.935 125 D HN 0.300 nan 8.370 nan 0.000 0.521 126 A N 0.219 122.781 122.820 -0.430 0.000 2.119 126 A HA 0.065 4.385 4.320 -0.000 0.000 0.217 126 A C 1.981 179.387 177.584 -0.297 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 2.362 127 L HA -0.050 4.290 4.340 -0.000 0.000 0.219 127 L C 0.054 176.746 176.870 -0.298 0.000 1.134 127 L CA 1.672 56.248 54.840 -0.441 0.000 0.807 127 L CB -0.546 41.286 42.059 -0.378 0.000 0.927 127 L HN 0.315 nan 8.230 nan 0.000 0.447 128 D N -0.723 119.577 120.400 -0.166 0.000 2.491 128 D HA 0.169 4.809 4.640 -0.000 0.000 0.228 128 D C 0.030 176.315 176.300 -0.026 0.000 1.183 128 D CA 0.179 54.128 54.000 -0.085 0.000 0.827 128 D CB -0.117 40.635 40.800 -0.080 0.000 0.989 128 D HN 0.217 nan 8.370 nan 0.000 0.494 129 N N 1.294 120.011 118.700 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 52.266 53.050 0.034 0.000 0.871 129 N CB 1.399 39.875 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 -0.043 177.229 177.300 -0.047 0.000 1.207 130 P CA 0.288 63.462 63.100 0.124 0.000 0.780 130 P CB 0.985 32.828 31.700 0.239 0.000 0.789 131 V N 4.923 124.769 119.914 -0.114 0.000 2.459 131 V HA 0.385 4.505 4.120 -0.000 0.000 0.295 131 V C -0.298 175.759 176.094 -0.063 0.000 1.029 131 V CA -0.199 62.039 62.300 -0.104 0.000 0.874 131 V CB 1.996 33.694 31.823 -0.207 0.000 0.985 131 V HN 0.466 nan 8.190 nan 0.000 0.438 132 T N 6.053 120.585 114.554 -0.035 0.000 2.771 132 T HA 0.382 4.732 4.350 -0.000 0.000 0.281 132 T C 0.248 174.970 174.700 0.037 0.000 0.982 132 T CA -0.334 61.756 62.100 -0.016 0.000 0.978 132 T CB 0.475 69.326 68.868 -0.029 0.000 0.930 132 T HN 0.800 nan 8.240 nan 0.000 0.447 133 N N 1.699 120.438 118.700 0.065 0.000 2.725 133 N HA -0.130 4.610 4.740 -0.000 0.000 0.251 133 N C 0.593 176.199 175.510 0.161 0.000 1.031 133 N CA 0.964 54.075 53.050 0.102 0.000 0.720 133 N CB -0.787 37.732 38.487 0.053 0.000 0.930 133 N HN 0.913 nan 8.380 nan 0.000 0.543 134 G N -0.671 108.293 108.800 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 -0.197 45.036 45.100 0.221 0.000 0.946 134 G HN 0.269 nan 8.290 nan 0.000 0.522 135 V N 0.658 120.615 119.914 0.071 0.000 2.313 135 V HA 0.661 4.781 4.120 -0.000 0.000 0.278 135 V C -1.101 174.945 176.094 -0.081 0.000 1.017 135 V CA -0.932 61.405 62.300 0.062 0.000 0.823 135 V CB -0.444 31.381 31.823 0.004 0.000 1.010 135 V HN 0.430 nan 8.190 nan 0.000 0.443 136 F N 6.013 126.096 119.950 0.222 0.000 2.470 136 F HA 0.603 5.130 4.527 -0.000 0.000 0.329 136 F C 0.102 176.036 175.800 0.224 0.000 1.072 136 F CA -0.866 57.292 58.000 0.264 0.000 0.989 136 F CB 2.004 41.213 39.000 0.349 0.000 1.193 136 F HN 0.384 nan 8.300 nan 0.000 0.481 137 I N 2.101 122.892 120.570 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 0.134 0.000 0.999 137 I CA -0.439 60.999 61.300 0.230 0.000 1.129 137 I CB 1.013 39.107 38.000 0.157 0.000 1.288 137 I HN 0.717 nan 8.210 nan 0.000 0.444 138 S N 3.892 119.583 115.700 -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 -0.067 57.892 58.200 -0.402 0.000 1.018 138 S CB 1.281 64.101 63.200 -0.635 0.000 0.899 138 S HN 0.757 nan 8.310 nan 0.000 0.542 139 T N 1.639 116.078 114.554 -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 1.634 63.684 62.100 -0.084 0.000 1.165 139 T CB -0.714 68.111 68.868 -0.072 0.000 0.863 139 T HN 0.623 nan 8.240 nan 0.000 0.427 140 V N 1.218 121.134 119.914 0.004 0.000 2.660 140 V HA -0.196 3.924 4.120 -0.000 0.000 0.257 140 V C 2.372 178.497 176.094 0.051 0.000 1.088 140 V CA 1.745 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 0.400 nan 8.190 nan 0.000 0.481 141 Q N -0.343 119.473 119.800 0.027 0.000 2.123 141 Q HA 0.035 4.375 4.340 -0.000 0.000 0.196 141 Q C 2.200 178.172 176.000 -0.047 0.000 0.958 141 Q CA 1.919 57.758 55.803 0.059 0.000 0.841 141 Q CB -0.435 28.352 28.738 0.083 0.000 0.915 141 Q HN 0.766 nan 8.270 nan 0.000 0.455 142 I N 0.065 120.593 120.570 -0.071 0.000 2.800 142 I HA -0.256 3.914 4.170 -0.000 0.000 0.266 142 I C 1.482 177.499 176.117 -0.168 0.000 1.249 142 I CA 0.663 61.881 61.300 -0.135 0.000 1.458 142 I CB 0.158 38.119 38.000 -0.064 0.000 1.093 142 I HN 0.105 nan 8.210 nan 0.000 0.466 143 M N 0.512 120.043 119.600 -0.114 0.000 2.325 143 M HA -0.042 4.438 4.480 -0.000 0.000 0.265 143 M C 1.897 178.111 176.300 -0.143 0.000 1.094 143 M CA 1.354 56.592 55.300 -0.104 0.000 1.161 143 M CB -1.265 31.308 32.600 -0.044 0.000 1.358 143 M HN 0.278 nan 8.290 nan 0.000 0.446 144 N N 0.598 119.222 118.700 -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 0.882 53.853 53.050 -0.131 0.000 0.846 144 N CB -0.897 37.682 38.487 0.152 0.000 1.010 144 N HN 0.214 nan 8.380 nan 0.000 0.425 145 L N 1.493 122.089 121.223 -1.046 0.000 2.270 145 L HA -0.181 4.159 4.340 -0.000 0.000 0.217 145 L C 2.157 178.581 176.870 -0.742 0.000 1.107 145 L CA 1.698 55.644 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 0.060 119.559 119.800 -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 1.385 56.991 55.803 -0.328 0.000 0.828 146 Q CB -0.251 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 -0.095 120.302 120.500 -0.171 0.000 2.293 147 R HA -0.048 4.292 4.340 -0.000 0.000 0.219 147 R C 2.020 178.262 176.300 -0.096 0.000 1.091 147 R CA 1.152 57.186 56.100 -0.109 0.000 1.004 147 R CB 0.095 30.352 30.300 -0.072 0.000 0.865 147 R HN 0.298 nan 8.270 nan 0.000 0.469 148 T N 0.676 115.152 114.554 -0.130 0.000 2.781 148 T HA 0.045 4.395 4.350 -0.000 0.000 0.252 148 T C 1.712 176.364 174.700 -0.080 0.000 1.039 148 T CA 0.589 62.647 62.100 -0.069 0.000 1.147 148 T CB 0.038 68.901 68.868 -0.007 0.000 0.865 148 T HN 0.106 nan 8.240 nan 0.000 0.423 149 I N 1.402 121.892 120.570 -0.133 0.000 2.399 149 I HA -0.227 3.943 4.170 -0.000 0.000 0.254 149 I C 2.578 178.654 176.117 -0.070 0.000 1.146 149 I CA 0.901 62.146 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 0.222 nan 8.210 nan 0.000 0.432 150 A N 0.343 123.110 122.820 -0.087 0.000 1.855 150 A HA 0.007 4.327 4.320 -0.000 0.000 0.213 150 A C 2.542 180.087 177.584 -0.063 0.000 1.195 150 A CA 1.241 53.235 52.037 -0.071 0.000 0.610 150 A CB -0.784 18.172 19.000 -0.075 0.000 0.837 150 A HN 0.367 nan 8.150 nan 0.000 0.444 151 A N -0.136 122.649 122.820 -0.058 0.000 1.865 151 A HA -0.178 4.142 4.320 -0.000 0.000 0.217 151 A C 2.219 179.772 177.584 -0.051 0.000 1.191 151 A CA 1.640 53.645 52.037 -0.052 0.000 0.623 151 A CB -0.514 18.464 19.000 -0.038 0.000 0.826 151 A HN 0.365 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 -0.095 4.245 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 1.535 57.650 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 0.627 120.206 119.600 -0.034 0.000 2.149 153 M HA -0.140 4.340 4.480 -0.000 0.000 0.261 153 M C 2.164 178.376 176.300 -0.148 0.000 1.064 153 M CA 1.481 56.742 55.300 -0.065 0.000 1.102 153 M CB -0.515 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 -0.064 120.344 120.500 -0.153 0.000 2.075 154 R HA -0.169 4.171 4.340 -0.000 0.000 0.230 154 R C 1.672 177.749 176.300 -0.371 0.000 1.140 154 R CA 2.041 58.016 56.100 -0.208 0.000 0.928 154 R CB -0.527 29.679 30.300 -0.157 0.000 0.834 154 R HN 0.315 nan 8.270 nan 0.000 0.429 155 D N 0.255 120.416 120.400 -0.398 0.000 2.204 155 D HA -0.248 4.391 4.640 -0.000 0.000 0.189 155 D C 1.813 177.241 176.300 -1.452 0.000 1.006 155 D CA 1.874 55.397 54.000 -0.794 0.000 0.855 155 D CB -0.710 39.852 40.800 -0.396 0.000 0.946 155 D HN 0.234 nan 8.370 nan 0.000 0.448 156 V N 0.976 120.311 119.914 -0.965 0.000 2.307 156 V HA -0.149 3.971 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 0.247 nan 8.190 nan 0.000 0.449 157 A N 0.059 122.588 122.820 -0.485 0.000 2.009 157 A HA -0.216 4.104 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 -2.098 118.853 121.223 -0.454 0.000 2.022 158 L HA -0.148 4.192 4.340 -0.000 0.000 0.204 158 L C 2.810 179.564 176.870 -0.192 0.000 1.076 158 L CA 1.386 56.014 54.840 -0.354 0.000 0.749 158 L CB -1.175 40.646 42.059 -0.397 0.000 0.903 158 L HN 0.594 nan 8.230 nan 0.000 0.439 159 W N 0.740 121.955 121.300 -0.142 0.000 2.317 159 W HA -0.252 4.408 4.660 -0.000 0.000 0.318 159 W C 2.583 179.146 176.519 0.074 0.000 1.227 159 W CA 0.898 58.290 57.345 0.078 0.000 1.269 159 W CB -1.382 27.920 29.460 -0.264 0.000 1.155 159 W HN 0.374 nan 8.180 nan 0.000 0.484 160 Q N 1.532 121.240 119.800 -0.153 0.000 2.325 160 Q HA -0.251 4.089 4.340 -0.000 0.000 0.211 160 Q C 2.060 178.180 176.000 0.200 0.000 0.988 160 Q CA 2.328 58.188 55.803 0.095 0.000 0.887 160 Q CB -0.362 28.355 28.738 -0.036 0.000 0.915 160 Q HN 0.498 nan 8.270 nan 0.000 0.440 161 K N -1.354 119.059 120.400 0.021 0.000 2.137 161 K HA -0.120 4.200 4.320 -0.000 0.000 0.202 161 K C 1.811 178.371 176.600 -0.066 0.000 1.052 161 K CA 0.811 57.066 56.287 -0.054 0.000 0.961 161 K CB -0.169 32.217 32.500 -0.190 0.000 0.741 161 K HN 0.261 nan 8.250 nan 0.000 0.452 162 H N 0.818 119.930 119.070 0.070 0.000 2.357 162 H HA -0.109 4.447 4.556 -0.000 0.000 0.301 162 H C 2.159 177.394 175.328 -0.155 0.000 1.082 162 H CA 1.431 57.450 56.048 -0.048 0.000 1.342 162 H CB -0.181 29.532 29.762 -0.081 0.000 1.389 162 H HN 0.190 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 1.942 178.860 176.870 0.079 0.000 1.081 163 L CA 2.030 56.894 54.840 0.040 0.000 0.752 163 L CB -0.651 41.726 42.059 0.531 0.000 0.896 163 L HN 0.107 nan 8.230 nan 0.000 0.433 164 D N -1.345 119.141 120.400 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 -0.196 40.691 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 1.699 176.395 174.700 -0.006 0.000 1.104 165 T CA 1.543 63.650 62.100 0.011 0.000 1.115 165 T CB -0.413 68.460 68.868 0.009 0.000 0.843 165 T HN 0.164 nan 8.240 nan 0.000 0.523 166 A N 0.063 122.867 122.820 -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 52.820 52.037 -0.053 0.000 0.707 166 A CB -0.452 18.491 19.000 -0.095 0.000 0.862 166 A HN 0.430 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 -1.434 113.116 114.554 -0.006 0.000 2.946 168 T HA -0.186 4.164 4.350 -0.000 0.000 0.271 168 T C 1.609 176.356 174.700 0.078 0.000 1.104 168 T CA 1.214 63.352 62.100 0.063 0.000 1.114 168 T CB -0.845 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 1.611 121.251 119.600 0.067 0.000 2.766 169 M HA 0.248 4.728 4.480 -0.000 0.000 0.208 169 M C -0.243 176.180 176.300 0.206 0.000 1.152 169 M CA 0.499 55.860 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 0.224 0.000 2.562 170 L HA 0.230 4.570 4.340 -0.000 0.000 0.307 170 L C -0.206 176.899 176.870 0.391 0.000 1.292 170 L CA -0.485 54.582 54.840 0.380 0.000 0.654 170 L CB -1.375 40.889 42.059 0.342 0.000 0.997 170 L HN 0.025 nan 8.230 nan 0.000 0.521 171 T N 1.308 116.022 114.554 0.265 0.000 2.487 171 T HA -0.101 4.249 4.350 -0.000 0.000 0.490 171 T C -1.338 173.552 174.700 0.316 0.000 0.794 171 T CA 0.778 63.013 62.100 0.226 0.000 3.697 171 T CB -0.695 68.261 68.868 0.147 0.000 0.878 171 T HN 0.600 nan 8.240 nan 0.000 0.259 172 P HA 0.160 nan 4.420 nan 0.000 0.258 172 P C -0.334 177.110 177.300 0.240 0.000 1.403 172 P CA 0.300 63.547 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 0.875 121.408 120.400 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 -0.398 53.704 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 -0.912 119.736 120.570 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 60.650 61.300 0.099 0.000 1.077 174 I CB 2.105 40.178 38.000 0.120 0.000 1.274 174 I HN 0.149 nan 8.210 nan 0.000 0.485 175 S N 1.300 117.030 115.700 0.050 0.000 2.952 175 S HA 0.735 5.205 4.470 -0.000 0.000 0.251 175 S C -0.026 174.590 174.600 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 51.998 52.037 0.023 0.000 0.830 176 A CB 0.362 19.373 19.000 0.019 0.000 1.337 176 A HN 1.713 nan 8.150 nan 0.000 0.400 177 G N 1.352 110.164 108.800 0.021 0.000 2.692 177 G HA2 0.127 4.087 3.960 -0.000 0.000 0.248 177 G HA3 0.127 4.087 3.960 -0.000 0.000 0.248 177 G C 0.523 175.445 174.900 0.036 0.000 1.340 177 G CA 0.180 45.294 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 0.847 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 1.091 123.972 122.820 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 -0.422 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 0.824 nan 8.150 nan 0.000 0.322 180 S N -0.034 115.696 115.700 0.051 0.000 2.690 180 S HA 0.826 5.296 4.470 -0.000 0.000 0.285 180 S C 0.365 174.863 174.600 -0.169 0.000 1.135 180 S CA -0.244 57.912 58.200 -0.073 0.000 1.020 180 S CB 1.686 64.863 63.200 -0.039 0.000 1.159 180 S HN 2.413 nan 8.310 nan 0.000 0.534 181 C N 2.376 121.540 119.300 -0.227 0.000 3.212 181 C HA 0.404 4.864 4.460 -0.000 0.000 0.367 181 C C -0.379 174.544 174.990 -0.111 0.000 0.979 181 C CA -0.697 58.175 59.018 -0.244 0.000 1.283 181 C CB -1.651 25.698 27.740 -0.652 0.000 1.644 181 C HN 1.180 nan 8.230 nan 0.000 0.575 182 N N 3.753 122.433 118.700 -0.033 0.000 1.801 182 N HA -0.198 4.542 4.740 -0.000 0.000 0.315 182 N C 1.207 176.761 175.510 0.073 0.000 1.326 182 N CA 0.995 54.063 53.050 0.031 0.000 0.840 182 N CB 0.224 38.723 38.487 0.020 0.000 1.126 182 N HN 0.897 nan 8.380 nan 0.000 0.499 183 W N 3.988 125.231 121.300 -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 58.718 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 0.342 120.717 120.400 -0.041 0.000 1.988 184 K HA -0.211 4.109 4.320 -0.000 0.000 0.221 184 K C 2.055 178.541 176.600 -0.190 0.000 1.053 184 K CA 2.069 58.268 56.287 -0.147 0.000 0.959 184 K CB -1.256 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 1.647 117.295 115.700 -0.087 0.000 2.389 185 S HA -0.219 4.251 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 1.646 59.825 58.200 -0.034 0.000 1.117 185 S CB -0.601 62.594 63.200 -0.007 0.000 1.020 185 S HN 0.253 nan 8.310 nan 0.000 0.430 186 L N 1.395 122.498 121.223 -0.200 0.000 2.011 186 L HA -0.204 4.136 4.340 -0.000 0.000 0.225 186 L C 2.190 178.876 176.870 -0.307 0.000 1.084 186 L CA 1.800 56.488 54.840 -0.253 0.000 0.791 186 L CB -0.694 41.193 42.059 -0.287 0.000 0.898 186 L HN 0.322 nan 8.230 nan 0.000 0.440 187 L N -1.241 119.612 121.223 -0.617 0.000 1.961 187 L HA -0.229 4.111 4.340 -0.000 0.000 0.210 187 L C 2.567 179.235 176.870 -0.337 0.000 1.072 187 L CA 1.574 56.046 54.840 -0.613 0.000 0.749 187 L CB -0.768 40.786 42.059 -0.841 0.000 0.889 187 L HN 0.398 nan 8.230 nan 0.000 0.432 188 A N -0.849 121.824 122.820 -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 -0.138 0.000 1.161 188 A CA 1.943 53.906 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 0.391 120.095 119.950 -0.409 0.000 2.123 189 F HA 0.228 4.755 4.527 -0.000 0.000 0.289 189 F C 2.380 177.810 175.800 -0.617 0.000 1.099 189 F CA 1.097 58.613 58.000 -0.807 0.000 1.234 189 F CB -0.678 37.840 39.000 -0.803 0.000 1.034 189 F HN 0.164 nan 8.300 nan 0.000 0.479 190 A N 0.406 122.839 122.820 -0.645 0.000 2.070 190 A HA -0.183 4.137 4.320 -0.000 0.000 0.220 190 A C 2.168 179.468 177.584 -0.472 0.000 1.159 190 A CA 1.525 53.177 52.037 -0.642 0.000 0.656 190 A CB -0.911 17.910 19.000 -0.298 0.000 0.800 190 A HN 0.516 nan 8.150 nan 0.000 0.453 191 K N -0.462 119.714 120.400 -0.373 0.000 2.281 191 K HA -0.175 4.145 4.320 -0.000 0.000 0.203 191 K C 0.823 177.272 176.600 -0.251 0.000 1.046 191 K CA 1.637 57.771 56.287 -0.254 0.000 0.938 191 K CB -0.096 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 -0.147 120.031 120.400 -0.369 0.000 2.435 192 D HA 0.014 4.654 4.640 -0.000 0.000 0.257 192 D C 1.798 177.891 176.300 -0.344 0.000 1.290 192 D CA 0.425 54.245 54.000 -0.300 0.000 0.994 192 D CB -0.276 40.347 40.800 -0.296 0.000 1.014 192 D HN -0.136 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 -0.295 3.875 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 1.065 62.116 61.300 -0.414 0.000 1.271 193 I CB -1.302 36.334 38.000 -0.606 0.000 0.978 193 I HN 0.149 nan 8.210 nan 0.000 0.394 194 L N 3.796 124.858 121.223 -0.269 0.000 2.806 194 L HA -0.063 4.277 4.340 -0.000 0.000 0.282 194 L C -1.728 175.070 176.870 -0.119 0.000 1.166 194 L CA -0.553 54.186 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 0.151 nan 8.230 nan 0.000 0.474 195 P HA -0.047 nan 4.420 nan 0.000 0.268 195 P C 0.788 178.060 177.300 -0.047 0.000 1.205 195 P CA -0.551 62.520 63.100 -0.050 0.000 0.771 195 P CB 0.776 32.462 31.700 -0.023 0.000 0.858 196 L N 1.571 122.769 121.223 -0.043 0.000 2.671 196 L HA -0.153 4.187 4.340 -0.000 0.000 0.236 196 L C 0.657 177.505 176.870 -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 -2.003 118.384 120.400 -0.022 0.000 2.623 197 D HA 0.084 4.724 4.640 -0.000 0.000 0.252 197 D C 0.991 177.278 176.300 -0.023 0.000 1.294 197 D CA -0.116 53.879 54.000 -0.009 0.000 0.824 197 D CB 0.259 41.078 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 4.905 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 0.483 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 -1.004 119.938 121.223 -0.468 0.000 4.368 199 L HA 0.187 4.527 4.340 -0.000 0.000 0.430 199 L C 0.653 177.557 176.870 0.057 0.000 1.098 199 L CA 0.225 54.980 54.840 -0.143 0.000 1.557 199 L CB -1.115 40.926 42.059 -0.029 0.000 1.638 199 L HN 0.583 nan 8.230 nan 0.000 0.622 200 C N -0.311 118.816 119.300 -0.289 0.000 2.697 200 C HA 0.248 4.707 4.460 -0.000 0.000 0.267 200 C C 2.123 177.088 174.990 -0.041 0.000 1.278 200 C CA 0.136 59.005 59.018 -0.250 0.000 1.708 200 C CB -0.654 26.871 27.740 -0.358 0.000 1.860 200 C HN 0.438 nan 8.230 nan 0.000 0.589 201 L N -0.468 120.722 121.223 -0.056 0.000 2.470 201 L HA 0.104 4.444 4.340 -0.000 0.000 0.219 201 L C 2.477 179.300 176.870 -0.078 0.000 1.071 201 L CA 0.934 55.733 54.840 -0.068 0.000 0.850 201 L CB -0.507 41.496 42.059 -0.094 0.000 1.040 201 L HN 0.142 nan 8.230 nan 0.000 0.475 202 T N -1.251 113.250 114.554 -0.090 0.000 3.043 202 T HA -0.017 4.333 4.350 -0.000 0.000 0.263 202 T C 0.404 174.790 174.700 -0.524 0.000 1.094 202 T CA 1.001 62.917 62.100 -0.307 0.000 1.127 202 T CB -0.009 68.649 68.868 -0.350 0.000 0.905 202 T HN 0.215 nan 8.240 nan 0.000 0.490 203 Y N -0.777 119.595 120.300 0.120 0.000 2.742 203 Y HA 0.268 4.818 4.550 -0.000 0.000 0.248 203 Y C -1.871 174.133 175.900 0.172 0.000 1.132 203 Y CA -2.357 55.808 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 0.094 177.546 177.300 0.253 0.000 1.106 204 P CA 2.357 65.566 63.100 0.180 0.000 0.998 204 P CB -0.019 31.717 31.700 0.060 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 0.468 176.083 175.510 0.176 0.000 1.511 205 N CA -0.274 52.925 53.050 0.248 0.000 1.097 205 N CB 0.525 39.127 38.487 0.193 0.000 1.395 205 N HN 0.073 nan 8.380 nan 0.000 0.511 206 E N -1.144 119.159 120.200 0.172 0.000 2.633 206 E HA 0.257 4.607 4.350 -0.000 0.000 0.214 206 E C -0.084 176.452 176.600 -0.107 0.000 0.898 206 E CA -0.005 56.404 56.400 0.014 0.000 1.422 206 E CB 0.152 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 -0.865 119.139 119.950 0.090 0.000 2.500 207 F HA 0.146 4.673 4.527 -0.000 0.000 0.285 207 F C 1.682 177.539 175.800 0.094 0.000 1.088 207 F CA 0.379 58.443 58.000 0.106 0.000 1.432 207 F CB -0.147 38.955 39.000 0.170 0.000 1.131 207 F HN 0.082 nan 8.300 nan 0.000 0.582 208 Y N 1.768 122.190 120.300 0.203 0.000 2.114 208 Y HA -0.281 4.269 4.550 -0.000 0.000 0.282 208 Y C 2.136 178.022 175.900 -0.023 0.000 1.165 208 Y CA 1.950 60.119 58.100 0.115 0.000 1.148 208 Y CB -0.864 37.677 38.460 0.135 0.000 0.972 208 Y HN 0.037 nan 8.280 nan 0.000 0.504 209 N N -0.464 118.132 118.700 -0.173 0.000 2.244 209 N HA -0.143 4.597 4.740 -0.000 0.000 0.183 209 N C 1.880 177.046 175.510 -0.572 0.000 1.016 209 N CA 1.577 54.395 53.050 -0.386 0.000 0.866 209 N CB -0.144 38.217 38.487 -0.211 0.000 0.980 209 N HN 0.302 nan 8.380 nan 0.000 0.430 210 V N 1.803 121.485 119.914 -0.387 0.000 2.323 210 V HA -0.139 3.981 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 1.662 63.655 62.300 -0.511 0.000 1.025 210 V CB -0.920 30.576 31.823 -0.546 0.000 0.656 210 V HN 0.230 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 2.276 54.342 52.037 0.047 0.000 0.629 211 A CB -0.803 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 -0.672 119.699 120.570 -0.333 0.000 2.367 212 I HA -0.359 3.811 4.170 -0.000 0.000 0.256 212 I C 1.885 177.946 176.117 -0.094 0.000 1.132 212 I CA 1.796 62.908 61.300 -0.313 0.000 1.397 212 I CB -0.407 37.285 38.000 -0.513 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 1.790 176.990 175.328 -0.212 0.000 0.982 213 H CA -0.101 55.845 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 -0.474 119.914 120.500 -0.187 0.000 2.435 214 R HA 0.105 4.445 4.340 -0.000 0.000 0.221 214 R C -0.663 175.146 176.300 -0.817 0.000 0.885 214 R CA 0.076 55.872 56.100 -0.507 0.000 1.018 214 R CB 0.814 30.702 30.300 -0.687 0.000 1.259 214 R HN 0.131 nan 8.270 nan 0.000 0.597 215 Y N 1.884 122.181 120.300 -0.006 0.000 2.555 215 Y HA 0.302 4.852 4.550 -0.000 0.000 0.326 215 Y C -1.854 174.036 175.900 -0.015 0.000 0.984 215 Y CA -2.839 55.267 58.100 0.010 0.000 1.298 215 Y CB 1.378 39.856 38.460 0.030 0.000 1.094 215 Y HN -0.090 nan 8.280 nan 0.000 0.500 216 P HA -0.036 nan 4.420 nan 0.000 0.259 216 P C 0.753 178.062 177.300 0.016 0.000 1.307 216 P CA 0.720 63.820 63.100 0.000 0.000 0.768 216 P CB 0.221 31.906 31.700 -0.026 0.000 1.199 217 A N 0.320 123.190 122.820 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 0.059 0.000 0.620 217 A CB -0.903 18.165 19.000 0.115 0.000 0.860 217 A HN 0.193 nan 8.150 nan 0.000 0.450 218 L N 1.750 122.987 121.223 0.024 0.000 2.485 218 L HA 0.179 4.519 4.340 -0.000 0.000 0.279 218 L C -0.518 176.273 176.870 -0.133 0.000 1.124 218 L CA 0.108 54.905 54.840 -0.072 0.000 0.888 218 L CB 0.074 42.135 42.059 0.003 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 0.416 4.736 4.320 -0.000 0.000 0.267 219 K C -2.264 174.234 176.600 -0.170 0.000 1.010 219 K CA -1.755 54.441 56.287 -0.153 0.000 0.875 219 K CB 1.127 33.547 32.500 -0.133 0.000 1.106 219 K HN 0.309 nan 8.250 nan 0.000 0.450 220 P HA 0.033 nan 4.420 nan 0.000 0.271 220 P C -0.043 177.222 177.300 -0.058 0.000 1.216 220 P CA -0.358 62.702 63.100 -0.067 0.000 0.776 220 P CB 0.828 32.501 31.700 -0.046 0.000 0.881 221 G N 2.280 111.045 108.800 -0.059 0.000 2.354 221 G HA2 0.026 3.986 3.960 -0.000 0.000 0.266 221 G HA3 0.026 3.986 3.960 -0.000 0.000 0.266 221 G C 0.299 175.196 174.900 -0.005 0.000 1.242 221 G CA -0.276 44.800 45.100 -0.040 0.000 0.923 221 G HN 0.582 nan 8.290 nan 0.000 0.476 222 N N 3.213 121.913 118.700 -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 -1.675 51.382 53.050 0.010 0.000 0.882 222 N CB 1.373 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 -0.447 176.860 177.300 0.012 0.000 1.163 223 P CA 1.370 64.479 63.100 0.016 0.000 0.883 223 P CB 0.205 31.916 31.700 0.018 0.000 0.788 224 D N -1.651 118.755 120.400 0.009 0.000 3.139 224 D HA 0.195 4.835 4.640 -0.000 0.000 0.268 224 D C 0.518 176.822 176.300 0.006 0.000 1.322 224 D CA 0.413 54.418 54.000 0.007 0.000 0.940 224 D CB -0.287 40.516 40.800 0.006 0.000 1.050 224 D HN -0.020 nan 8.370 nan 0.000 0.503 225 T N -0.951 113.607 114.554 0.007 0.000 4.881 225 T HA -0.091 4.259 4.350 -0.000 0.000 0.309 225 T C 0.337 175.040 174.700 0.005 0.000 0.953 225 T CA -0.333 61.770 62.100 0.006 0.000 0.552 225 T CB -0.282 68.589 68.868 0.005 0.000 0.856 225 T HN 0.096 nan 8.240 nan 0.000 0.584 226 K N 0.755 121.159 120.400 0.007 0.000 3.139 226 K HA -0.171 4.149 4.320 -0.000 0.000 0.261 226 K C -0.689 175.912 176.600 0.002 0.000 0.895 226 K CA 0.561 56.852 56.287 0.007 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 -1.608 119.613 121.223 -0.002 0.000 2.350 227 L HA 0.518 4.858 4.340 -0.000 0.000 0.260 227 L C -1.779 175.081 176.870 -0.016 0.000 1.015 227 L CA -2.444 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 -0.198 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 32.081 31.700 -0.053 0.000 1.632 229 D N -4.612 115.778 120.400 -0.017 0.000 2.520 229 D HA 0.252 4.892 4.640 -0.000 0.000 0.386 229 D C 0.762 177.062 176.300 -0.001 0.000 1.267 229 D CA 0.708 54.719 54.000 0.018 0.000 0.958 229 D CB 0.386 41.224 40.800 0.064 0.000 1.462 229 D HN 0.210 nan 8.370 nan 0.000 0.438 230 A N 0.170 122.971 122.820 -0.032 0.000 1.293 230 A HA -0.291 4.029 4.320 -0.000 0.000 0.322 230 A C 0.517 178.056 177.584 -0.076 0.000 1.764 230 A CA 1.474 53.489 52.037 -0.037 0.000 1.092 230 A CB -1.322 17.671 19.000 -0.012 0.000 1.471 230 A HN 0.271 nan 8.150 nan 0.000 0.722 231 Q N 0.827 120.578 119.800 -0.082 0.000 2.421 231 Q HA 0.562 4.902 4.340 -0.000 0.000 0.255 231 Q C 0.121 175.845 176.000 -0.461 0.000 1.013 231 Q CA 0.776 56.462 55.803 -0.195 0.000 0.895 231 Q CB 0.596 29.296 28.738 -0.064 0.000 1.271 231 Q HN 1.497 nan 8.270 nan 0.000 0.460 232 A N 2.910 125.435 122.820 -0.491 0.000 2.318 232 A HA 0.473 4.793 4.320 -0.000 0.000 0.317 232 A C -0.855 176.374 177.584 -0.592 0.000 1.159 232 A CA -0.734 51.008 52.037 -0.491 0.000 0.799 232 A CB 0.558 19.430 19.000 -0.212 0.000 1.194 232 A HN 0.699 nan 8.150 nan 0.000 0.479 233 H N 3.874 122.936 119.070 -0.013 0.000 2.482 233 H HA 0.280 4.836 4.556 -0.000 0.000 0.231 233 H C -2.514 172.811 175.328 -0.005 0.000 1.612 233 H CA -1.591 54.449 56.048 -0.013 0.000 1.279 233 H CB -0.206 29.545 29.762 -0.018 0.000 1.562 233 H HN 0.519 nan 8.280 nan 0.000 0.553 234 P HA 0.038 nan 4.420 nan 0.000 0.284 234 P C 1.264 178.584 177.300 0.034 0.000 1.253 234 P CA -0.666 62.458 63.100 0.039 0.000 0.800 234 P CB 2.009 33.705 31.700 -0.006 0.000 0.961 235 L N 2.416 123.645 121.223 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 2.377 57.280 54.840 0.104 0.000 0.767 235 L CB -1.888 40.255 42.059 0.140 0.000 0.894 235 L HN 0.622 nan 8.230 nan 0.000 0.437 236 G N -1.401 107.464 108.800 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 0.169 45.322 45.100 0.090 0.000 0.959 236 G HN 0.316 nan 8.290 nan 0.000 0.524 237 E N 0.017 120.245 120.200 0.047 0.000 2.170 237 E HA -0.290 4.060 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 2.402 58.828 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 0.219 120.178 119.914 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 1.819 64.215 62.300 0.160 0.000 1.008 238 V CB -1.223 30.682 31.823 0.137 0.000 0.645 238 V HN 0.507 nan 8.190 nan 0.000 0.449 239 A N 1.007 123.909 122.820 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 2.437 54.552 52.037 0.130 0.000 0.638 239 A CB -1.459 17.585 19.000 0.073 0.000 0.823 239 A HN 0.590 nan 8.150 nan 0.000 0.451 240 G N -1.320 107.527 108.800 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 1.305 46.433 45.100 0.046 0.000 0.775 240 G HN 0.842 nan 8.290 nan 0.000 0.548 241 A N 0.368 123.201 122.820 0.022 0.000 1.898 241 A HA 0.306 4.626 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 0.469 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 0.259 nan 8.150 nan 0.000 0.444 242 F N 0.585 120.535 119.950 0.000 0.000 2.695 242 F HA 0.158 4.685 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 58.200 58.000 0.001 0.000 1.412 242 F CB 0.142 39.141 39.000 -0.002 0.000 1.056 242 F HN 0.223 nan 8.300 nan 0.000 0.522 243 N N -0.310 118.454 118.700 0.106 0.000 2.211 243 N HA 0.190 4.930 4.740 -0.000 0.000 0.216 243 N C 0.703 176.239 175.510 0.043 0.000 1.240 243 N CA 0.190 53.290 53.050 0.083 0.000 0.895 243 N CB 0.216 38.749 38.487 0.076 0.000 1.102 243 N HN 0.039 nan 8.380 nan 0.000 0.498 244 A N 1.201 124.028 122.820 0.011 0.000 2.561 244 A HA 0.386 4.706 4.320 -0.000 0.000 0.234 244 A C 0.640 178.225 177.584 0.003 0.000 1.055 244 A CA 0.158 52.194 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 0.464 4.784 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 -1.380 17.631 19.000 0.018 0.000 1.088 245 A HN 1.362 nan 8.150 nan 0.000 0.568 246 T N 0.929 115.479 114.554 -0.006 0.000 2.829 246 T HA 0.165 4.515 4.350 -0.000 0.000 0.293 246 T C 1.402 176.098 174.700 -0.006 0.000 0.970 246 T CA 0.142 62.231 62.100 -0.017 0.000 1.168 246 T CB 0.636 69.489 68.868 -0.026 0.000 0.911 246 T HN 1.047 nan 8.240 nan 0.000 0.535 247 S N 1.776 117.472 115.700 -0.008 0.000 2.440 247 S HA -0.188 4.282 4.470 -0.000 0.000 0.238 247 S C 1.456 176.056 174.600 -0.001 0.000 1.010 247 S CA 0.848 59.047 58.200 -0.002 0.000 0.972 247 S CB -0.385 62.813 63.200 -0.003 0.000 0.774 247 S HN 0.742 nan 8.310 nan 0.000 0.501 248 E N 1.290 121.488 120.200 -0.002 0.000 2.046 248 E HA 0.088 4.438 4.350 -0.000 0.000 0.190 248 E C 0.760 177.363 176.600 0.005 0.000 0.982 248 E CA 1.068 57.468 56.400 0.000 0.000 0.800 248 E CB -0.194 29.506 29.700 0.000 0.000 0.756 248 E HN 0.710 nan 8.360 nan 0.000 0.449 249 V N -3.222 116.697 119.914 0.008 0.000 2.567 249 V HA 0.698 4.818 4.120 -0.000 0.000 0.298 249 V C 1.144 177.248 176.094 0.016 0.000 1.047 249 V CA -0.477 61.831 62.300 0.013 0.000 0.880 249 V CB 1.002 32.836 31.823 0.018 0.000 1.009 249 V HN 0.238 nan 8.190 nan 0.000 0.429 250 G N 3.944 112.753 108.800 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 0.685 175.599 174.900 0.022 0.000 0.963 250 G CA 1.638 46.748 45.100 0.017 0.000 0.865 250 G HN 2.041 nan 8.290 nan 0.000 1.379 251 S N -1.481 114.237 115.700 0.029 0.000 2.652 251 S HA 0.467 4.937 4.470 -0.000 0.000 0.273 251 S C 1.044 175.675 174.600 0.051 0.000 1.172 251 S CA -0.140 58.083 58.200 0.039 0.000 1.009 251 S CB 0.692 63.914 63.200 0.038 0.000 1.094 251 S HN 0.478 nan 8.310 nan 0.000 0.471 252 L N 4.299 125.565 121.223 0.073 0.000 2.013 252 L HA -0.078 4.262 4.340 -0.000 0.000 0.212 252 L C 2.587 179.500 176.870 0.071 0.000 1.073 252 L CA 1.694 56.587 54.840 0.087 0.000 0.753 252 L CB -0.914 41.237 42.059 0.154 0.000 0.890 252 L HN 0.639 nan 8.230 nan 0.000 0.432 253 V N 0.377 120.339 119.914 0.079 0.000 2.490 253 V HA -0.170 3.950 4.120 -0.000 0.000 0.250 253 V C 2.170 178.288 176.094 0.041 0.000 1.061 253 V CA 2.064 64.399 62.300 0.058 0.000 1.064 253 V CB -0.443 31.419 31.823 0.064 0.000 0.670 253 V HN 0.502 nan 8.190 nan 0.000 0.461 254 G N -0.212 108.612 108.800 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 1.793 176.709 174.900 0.027 0.000 1.275 254 G CA 1.143 46.262 45.100 0.032 0.000 0.842 254 G HN 0.719 nan 8.290 nan 0.000 0.555 255 S N 1.149 116.866 115.700 0.027 0.000 2.428 255 S HA -0.275 4.195 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 2.457 60.671 58.200 0.023 0.000 1.009 255 S CB -0.820 62.394 63.200 0.024 0.000 0.803 255 S HN 0.750 nan 8.310 nan 0.000 0.486 256 S N 2.640 118.353 115.700 0.022 0.000 2.345 256 S HA -0.151 4.319 4.470 -0.000 0.000 0.220 256 S C 2.169 176.775 174.600 0.011 0.000 1.031 256 S CA 1.484 59.693 58.200 0.015 0.000 0.996 256 S CB -1.204 62.004 63.200 0.013 0.000 0.882 256 S HN 0.890 nan 8.310 nan 0.000 0.445 257 S N 1.077 116.785 115.700 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 1.785 59.992 58.200 0.011 0.000 0.996 257 S CB -1.966 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 0.911 115.474 114.554 0.015 0.000 2.896 258 T HA -0.049 4.301 4.350 -0.000 0.000 0.270 258 T C 1.471 176.178 174.700 0.012 0.000 1.104 258 T CA 1.492 63.600 62.100 0.014 0.000 1.115 258 T CB -0.606 68.272 68.868 0.016 0.000 0.843 258 T HN 0.443 nan 8.240 nan 0.000 0.523 259 L N 0.442 121.672 121.223 0.011 0.000 2.185 259 L HA 0.068 4.408 4.340 -0.000 0.000 0.198 259 L C 3.027 179.900 176.870 0.005 0.000 1.079 259 L CA 1.158 56.002 54.840 0.008 0.000 0.780 259 L CB -0.430 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 -0.667 115.035 115.700 0.004 0.000 2.400 260 S HA -0.295 4.175 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 1.441 59.642 58.200 0.001 0.000 0.993 260 S CB -0.418 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 0.071 4.411 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 0.583 123.408 122.820 0.008 0.000 1.908 262 A HA -0.159 4.161 4.320 -0.000 0.000 0.218 262 A C 2.280 179.866 177.584 0.003 0.000 1.181 262 A CA 1.696 53.738 52.037 0.008 0.000 0.627 262 A CB -0.911 18.096 19.000 0.010 0.000 0.818 262 A HN 0.523 nan 8.150 nan 0.000 0.445 263 I N -0.093 120.478 120.570 0.002 0.000 2.264 263 I HA -0.257 3.913 4.170 -0.000 0.000 0.248 263 I C 2.664 178.780 176.117 -0.002 0.000 1.111 263 I CA 1.371 62.670 61.300 -0.001 0.000 1.382 263 I CB -0.454 37.545 38.000 -0.002 0.000 1.060 263 I HN 0.267 nan 8.210 nan 0.000 0.418 264 S N 0.659 116.359 115.700 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 2.222 60.422 58.200 0.001 0.000 1.037 264 S CB -0.694 62.508 63.200 0.004 0.000 0.956 264 S HN 0.474 nan 8.310 nan 0.000 0.428 265 T N 3.139 117.694 114.554 0.003 0.000 2.597 265 T HA -0.173 4.177 4.350 -0.000 0.000 0.267 265 T C 1.861 176.557 174.700 -0.007 0.000 1.053 265 T CA 1.546 63.647 62.100 0.002 0.000 1.165 265 T CB -0.480 68.389 68.868 0.002 0.000 0.863 265 T HN 0.136 nan 8.240 nan 0.000 0.427 266 M N 1.100 120.693 119.600 -0.010 0.000 2.116 266 M HA -0.142 4.338 4.480 -0.000 0.000 0.255 266 M C 2.596 178.887 176.300 -0.016 0.000 1.075 266 M CA 1.896 57.185 55.300 -0.018 0.000 1.087 266 M CB -1.435 31.157 32.600 -0.014 0.000 1.340 266 M HN 0.422 nan 8.290 nan 0.000 0.402 267 A N -1.036 121.779 122.820 -0.009 0.000 1.943 267 A HA 0.274 4.594 4.320 -0.000 0.000 0.213 267 A C 2.179 179.762 177.584 -0.002 0.000 1.181 267 A CA 1.169 53.202 52.037 -0.007 0.000 0.653 267 A CB -1.076 17.920 19.000 -0.006 0.000 0.833 267 A HN 0.470 nan 8.150 nan 0.000 0.451 268 G N 0.372 109.173 108.800 0.002 0.000 2.798 268 G HA2 -0.123 3.837 3.960 -0.000 0.000 0.202 268 G HA3 -0.123 3.837 3.960 -0.000 0.000 0.202 268 G C 1.328 176.240 174.900 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 -0.383 120.036 120.400 0.033 0.000 2.148 269 K HA -0.130 4.190 4.320 -0.000 0.000 0.213 269 K C 0.719 177.385 176.600 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 0.451 nan 8.250 nan 0.000 0.462 270 D N -2.908 117.533 120.400 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 0.066 0.000 1.008 270 D CA 0.043 54.080 54.000 0.062 0.000 0.830 270 D CB -1.237 39.580 40.800 0.028 0.000 0.934 270 D HN -0.099 nan 8.370 nan 0.000 0.437 271 L N 0.594 121.771 121.223 -0.077 0.000 2.083 271 L HA 0.039 4.379 4.340 -0.000 0.000 0.209 271 L C 1.299 178.123 176.870 -0.077 0.000 1.083 271 L CA 1.533 56.252 54.840 -0.202 0.000 0.752 271 L CB -0.915 41.050 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 2.449 272 D HA 0.030 4.670 4.640 -0.000 0.000 0.236 272 D C 1.376 177.679 176.300 0.005 0.000 1.149 272 D CA 0.526 54.514 54.000 -0.019 0.000 0.878 272 D CB 0.401 41.191 40.800 -0.017 0.000 1.198 272 D HN 0.240 nan 8.370 nan 0.000 0.446 273 L N 1.989 123.214 121.223 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 0.911 55.758 54.840 0.011 0.000 0.961 273 L CB -2.143 39.910 42.059 -0.011 0.000 2.130 273 L HN 0.709 nan 8.230 nan 0.000 0.787 274 I N 0.291 120.904 120.570 0.072 0.000 2.493 274 I HA -0.162 4.008 4.170 -0.000 0.000 0.254 274 I C 1.509 177.717 176.117 0.151 0.000 1.160 274 I CA 2.155 63.549 61.300 0.157 0.000 1.445 274 I CB 0.114 38.153 38.000 0.066 0.000 1.086 274 I HN 0.621 nan 8.210 nan 0.000 0.433 275 E N 1.072 121.317 120.200 0.076 0.000 2.995 275 E HA 0.334 4.684 4.350 -0.000 0.000 0.203 275 E C 0.095 176.721 176.600 0.044 0.000 0.980 275 E CA -0.355 56.084 56.400 0.066 0.000 1.172 275 E CB 0.461 30.184 29.700 0.039 0.000 1.088 275 E HN 0.484 nan 8.360 nan 0.000 0.463 276 A N 1.002 123.847 122.820 0.041 0.000 2.540 276 A HA -0.017 4.303 4.320 -0.000 0.000 0.239 276 A C 0.246 177.845 177.584 0.026 0.000 1.061 276 A CA 0.259 52.309 52.037 0.021 0.000 0.758 276 A CB 0.273 19.276 19.000 0.006 0.000 0.991 276 A HN 0.315 nan 8.150 nan 0.000 0.502 277 D N 1.733 122.145 120.400 0.019 0.000 2.564 277 D HA 0.392 5.032 4.640 -0.000 0.000 0.226 277 D C -0.179 176.132 176.300 0.018 0.000 1.149 277 D CA 0.797 54.809 54.000 0.021 0.000 0.994 277 D CB 0.104 40.916 40.800 0.020 0.000 1.029 277 D HN 0.780 nan 8.370 nan 0.000 0.517 278 T N -0.280 114.286 114.554 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 -1.203 60.908 62.100 0.017 0.000 1.129 278 T CB 1.163 70.037 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 0.324 63.441 63.100 0.029 0.000 0.759 279 P CB 0.075 31.790 31.700 0.025 0.000 0.753 280 L N 6.730 127.984 121.223 0.053 0.000 2.406 280 L HA 0.416 4.756 4.340 -0.000 0.000 0.272 280 L C -2.338 174.588 176.870 0.094 0.000 0.980 280 L CA -2.516 52.347 54.840 0.039 0.000 0.831 280 L CB 2.363 44.419 42.059 -0.005 0.000 1.253 280 L HN 0.142 nan 8.230 nan 0.000 0.406 281 P HA -0.035 nan 4.420 nan 0.000 0.264 281 P C 1.033 178.421 177.300 0.146 0.000 1.183 281 P CA -0.066 63.073 63.100 0.065 0.000 0.763 281 P CB 0.787 32.501 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 2.328 178.559 176.094 0.229 0.000 1.068 282 V CA 2.593 65.028 62.300 0.226 0.000 1.070 282 V CB -1.470 30.396 31.823 0.072 0.000 0.664 282 V HN 0.734 nan 8.190 nan 0.000 0.461 283 S N 0.354 116.118 115.700 0.107 0.000 2.387 283 S HA -0.216 4.254 4.470 -0.000 0.000 0.230 283 S C 1.839 176.456 174.600 0.028 0.000 1.035 283 S CA 1.790 60.026 58.200 0.059 0.000 1.014 283 S CB -0.940 62.275 63.200 0.025 0.000 0.836 283 S HN 0.384 nan 8.310 nan 0.000 0.466 284 V N 0.325 120.217 119.914 -0.037 0.000 3.140 284 V HA -0.054 4.066 4.120 -0.000 0.000 0.269 284 V C 1.380 177.242 176.094 -0.387 0.000 1.149 284 V CA 1.386 63.551 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 0.556 nan 8.190 nan 0.000 0.523 285 F N -0.372 119.507 119.950 -0.117 0.000 2.653 285 F HA 0.156 4.683 4.527 -0.000 0.000 0.304 285 F C 1.564 177.336 175.800 -0.047 0.000 1.092 285 F CA 0.334 58.244 58.000 -0.150 0.000 1.279 285 F CB -0.506 38.391 39.000 -0.171 0.000 1.044 285 F HN 0.219 nan 8.300 nan 0.000 0.564 286 T N 0.518 115.143 114.554 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 -0.422 61.729 62.100 0.084 0.000 1.981 286 T CB -2.018 66.889 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 -0.138 177.180 177.300 0.029 0.000 1.242 287 P CA -0.047 63.083 63.100 0.050 0.000 0.768 287 P CB 0.973 32.687 31.700 0.023 0.000 0.820 288 S N 2.951 118.665 115.700 0.024 0.000 2.618 288 S HA 0.416 4.886 4.470 -0.000 0.000 0.277 288 S C 0.006 174.609 174.600 0.005 0.000 1.138 288 S CA -0.982 57.226 58.200 0.013 0.000 0.844 288 S CB 1.325 64.536 63.200 0.018 0.000 1.127 288 S HN 0.377 nan 8.310 nan 0.000 0.474 289 L N -0.298 120.924 121.223 -0.003 0.000 3.833 289 L HA -0.129 4.211 4.340 -0.000 0.000 0.447 289 L C 0.149 177.009 176.870 -0.016 0.000 1.213 289 L CA 1.377 56.211 54.840 -0.009 0.000 0.801 289 L CB -1.668 40.389 42.059 -0.004 0.000 1.676 289 L HN 1.281 nan 8.230 nan 0.000 0.883 290 A N 2.452 125.258 122.820 -0.023 0.000 3.047 290 A HA 0.822 5.142 4.320 -0.000 0.000 0.337 290 A C -2.386 175.164 177.584 -0.056 0.000 1.143 290 A CA -0.437 51.580 52.037 -0.034 0.000 0.905 290 A CB 0.255 19.239 19.000 -0.027 0.000 1.088 290 A HN 0.405 nan 8.150 nan 0.000 0.488 291 P HA 0.421 nan 4.420 nan 0.000 0.228 291 P C -0.633 176.578 177.300 -0.149 0.000 1.714 291 P CA -0.345 62.692 63.100 -0.104 0.000 1.253 291 P CB 0.705 32.351 31.700 -0.090 0.000 1.486 292 R N 1.195 121.582 120.500 -0.188 0.000 2.539 292 R HA 0.536 4.876 4.340 -0.000 0.000 0.275 292 R C 0.802 176.784 176.300 -0.529 0.000 1.077 292 R CA -0.059 55.880 56.100 -0.268 0.000 1.097 292 R CB 0.654 30.841 30.300 -0.188 0.000 1.018 292 R HN 0.431 nan 8.270 nan 0.000 0.483 293 S N 1.448 116.846 115.700 -0.504 0.000 2.578 293 S HA 0.582 5.052 4.470 -0.000 0.000 0.301 293 S C -0.861 173.377 174.600 -0.604 0.000 1.091 293 S CA -0.762 57.086 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 0.461 120.781 120.300 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 -1.346 56.809 58.100 0.092 0.000 0.925 294 Y CB 0.767 39.342 38.460 0.192 0.000 1.323 294 Y HN 0.544 nan 8.280 nan 0.000 0.719 295 R N 0.741 121.462 120.500 0.369 0.000 2.714 295 R HA 0.210 4.550 4.340 -0.000 0.000 0.214 295 R C -3.146 173.245 176.300 0.152 0.000 1.474 295 R CA -1.171 55.061 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 0.380 nan 8.270 nan 0.000 0.748 296 P HA -0.046 nan 4.420 nan 0.000 0.281 296 P C 0.463 177.649 177.300 -0.189 0.000 1.274 296 P CA 0.591 63.680 63.100 -0.019 0.000 0.794 296 P CB 0.603 32.320 31.700 0.028 0.000 1.201 297 A N -3.204 119.505 122.820 -0.184 0.000 2.945 297 A HA -0.224 4.096 4.320 -0.000 0.000 0.263 297 A C 0.676 178.068 177.584 -0.319 0.000 1.293 297 A CA 1.688 53.560 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 -2.135 117.790 119.950 -0.043 0.000 2.533 298 F HA 0.349 4.876 4.527 -0.000 0.000 0.313 298 F C 0.890 176.645 175.800 -0.075 0.000 0.834 298 F CA -0.365 57.610 58.000 -0.041 0.000 1.061 298 F CB -0.099 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 0.638 176.676 176.117 -0.131 0.000 1.180 299 I CA 0.364 61.620 61.300 -0.073 0.000 1.404 299 I CB -0.038 37.817 38.000 -0.241 0.000 1.389 299 I HN -0.083 nan 8.210 nan 0.000 0.549 300 K N 9.016 129.356 120.400 -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 -1.011 55.208 56.287 -0.113 0.000 0.980 300 K CB 0.602 33.054 32.500 -0.081 0.000 0.919 300 K HN 0.379 nan 8.250 nan 0.000 0.484 301 P HA -0.246 nan 4.420 nan 0.000 0.216 301 P C 0.843 178.026 177.300 -0.195 0.000 1.150 301 P CA 1.555 64.522 63.100 -0.222 0.000 0.837 301 P CB 0.157 31.747 31.700 -0.183 0.000 0.786 302 E N 0.115 120.230 120.200 -0.142 0.000 2.358 302 E HA -0.137 4.213 4.350 -0.000 0.000 0.195 302 E C 0.831 177.364 176.600 -0.113 0.000 1.010 302 E CA 0.844 57.175 56.400 -0.115 0.000 0.856 302 E CB -0.829 28.821 29.700 -0.084 0.000 0.795 302 E HN 0.183 nan 8.360 nan 0.000 0.504 303 D N 1.138 121.461 120.400 -0.127 0.000 2.349 303 D HA 0.160 4.800 4.640 -0.000 0.000 0.224 303 D C -0.052 176.172 176.300 -0.127 0.000 1.029 303 D CA 0.817 54.754 54.000 -0.105 0.000 0.879 303 D CB 0.687 41.432 40.800 -0.091 0.000 0.906 303 D HN 0.276 nan 8.370 nan 0.000 0.528 304 A N 0.648 123.340 122.820 -0.212 0.000 2.480 304 A HA 0.105 4.425 4.320 -0.000 0.000 0.302 304 A C 0.994 178.348 177.584 -0.382 0.000 1.151 304 A CA -0.609 51.269 52.037 -0.265 0.000 0.907 304 A CB 0.669 19.428 19.000 -0.401 0.000 1.487 304 A HN -0.274 nan 8.150 nan 0.000 0.396 305 K N 1.594 121.895 120.400 -0.166 0.000 2.184 305 K HA -0.189 4.131 4.320 -0.000 0.000 0.210 305 K C 1.402 177.945 176.600 -0.095 0.000 1.048 305 K CA 2.251 58.471 56.287 -0.112 0.000 0.931 305 K CB -0.209 32.270 32.500 -0.035 0.000 0.718 305 K HN 1.013 nan 8.250 nan 0.000 0.465 306 W N 0.853 122.111 121.300 -0.070 0.000 3.435 306 W HA 0.269 4.929 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 -0.972 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 1.424 121.741 120.570 -0.422 0.000 2.606 307 I HA 0.496 4.666 4.170 -0.000 0.000 0.275 307 I C -0.752 175.174 176.117 -0.319 0.000 1.220 307 I CA -0.272 60.761 61.300 -0.445 0.000 1.098 307 I CB 0.639 38.084 38.000 -0.926 0.000 1.321 307 I HN -0.073 nan 8.210 nan 0.000 0.468 308 A N 5.589 128.281 122.820 -0.213 0.000 2.264 308 A HA 0.819 5.139 4.320 -0.000 0.000 0.304 308 A C -0.543 176.800 177.584 -0.401 0.000 1.100 308 A CA -0.386 51.483 52.037 -0.280 0.000 0.839 308 A CB 0.952 19.801 19.000 -0.252 0.000 1.121 308 A HN 0.764 nan 8.150 nan 0.000 0.496 309 E N -0.418 119.545 120.200 -0.397 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 2.100 121.925 119.950 -0.207 0.000 2.666 310 F HA 0.140 4.667 4.527 -0.000 0.000 0.362 310 F C 0.091 175.815 175.800 -0.127 0.000 1.190 310 F CA -0.712 57.179 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 1.618 120.318 118.700 0.001 0.000 2.498 311 N HA 0.031 4.771 4.740 -0.000 0.000 0.277 311 N C -0.574 174.938 175.510 0.003 0.000 1.208 311 N CA -0.430 52.617 53.050 -0.005 0.000 1.029 311 N CB -0.126 38.338 38.487 -0.038 0.000 1.403 311 N HN 0.342 nan 8.380 nan 0.000 0.500 312 N N 0.674 119.384 118.700 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 -0.759 52.291 53.050 0.001 0.000 0.788 312 N CB 1.783 40.273 38.487 0.004 0.000 1.361 312 N HN 0.157 nan 8.380 nan 0.000 0.489 313 S N 1.045 116.735 115.700 -0.016 0.000 2.482 313 S HA -0.164 4.306 4.470 -0.000 0.000 0.226 313 S C 1.240 175.825 174.600 -0.025 0.000 1.048 313 S CA 1.820 60.010 58.200 -0.017 0.000 1.158 313 S CB -0.555 62.634 63.200 -0.017 0.000 1.130 313 S HN 0.905 nan 8.310 nan 0.000 0.413 314 S N 1.921 117.600 115.700 -0.036 0.000 2.546 314 S HA 0.482 4.952 4.470 -0.000 0.000 0.265 314 S C 0.288 174.846 174.600 -0.069 0.000 1.190 314 S CA -0.861 57.307 58.200 -0.053 0.000 1.014 314 S CB -0.410 62.758 63.200 -0.054 0.000 1.087 314 S HN 0.364 nan 8.310 nan 0.000 0.525 315 L N -0.265 120.904 121.223 -0.090 0.000 2.439 315 L HA 0.526 4.866 4.340 -0.000 0.000 0.259 315 L C -0.206 176.601 176.870 -0.106 0.000 1.129 315 L CA -0.713 54.064 54.840 -0.105 0.000 0.803 315 L CB 0.079 42.065 42.059 -0.123 0.000 1.161 315 L HN 0.585 nan 8.230 nan 0.000 0.462 316 I N 0.910 121.401 120.570 -0.131 0.000 2.976 316 I HA 0.256 4.426 4.170 -0.000 0.000 0.328 316 I C -0.156 175.882 176.117 -0.132 0.000 1.396 316 I CA -0.379 60.837 61.300 -0.141 0.000 0.869 316 I CB 0.155 38.029 38.000 -0.210 0.000 2.156 316 I HN 0.565 nan 8.210 nan 0.000 0.595 317 R N 2.448 122.889 120.500 -0.098 0.000 2.446 317 R HA 0.160 4.500 4.340 -0.000 0.000 0.314 317 R C 0.007 176.271 176.300 -0.060 0.000 1.003 317 R CA 0.163 56.218 56.100 -0.074 0.000 1.018 317 R CB 0.451 30.716 30.300 -0.057 0.000 0.945 317 R HN 0.192 nan 8.270 nan 0.000 0.419 318 K N 1.301 121.669 120.400 -0.054 0.000 2.316 318 K HA 0.437 4.757 4.320 -0.000 0.000 0.234 318 K C -0.653 175.945 176.600 -0.004 0.000 1.054 318 K CA -0.501 55.765 56.287 -0.034 0.000 0.879 318 K CB 1.577 34.049 32.500 -0.047 0.000 1.252 318 K HN 0.561 nan 8.250 nan 0.000 0.471 319 T N -0.444 114.116 114.554 0.010 0.000 2.887 319 T HA 0.753 5.103 4.350 -0.000 0.000 0.292 319 T C -0.902 173.827 174.700 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 69.748 68.868 0.018 0.000 1.203 319 T HN 0.658 nan 8.240 nan 0.000 0.518 320 L N -2.115 119.152 121.223 0.073 0.000 2.787 320 L HA 0.544 4.884 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 1.470 43.597 42.059 0.113 0.000 1.519 320 L HN 0.629 nan 8.230 nan 0.000 0.452 321 T N 3.424 118.029 114.554 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 0.423 62.560 62.100 0.061 0.000 1.081 321 T CB -0.450 68.427 68.868 0.015 0.000 0.891 321 T HN 0.467 nan 8.240 nan 0.000 0.544 322 Y N 3.774 124.131 120.300 0.096 0.000 2.402 322 Y HA 0.436 4.986 4.550 -0.000 0.000 0.332 322 Y C 0.593 176.591 175.900 0.164 0.000 0.960 322 Y CA -1.041 57.159 58.100 0.167 0.000 1.228 322 Y CB 0.627 39.259 38.460 0.286 0.000 1.120 322 Y HN 0.667 nan 8.280 nan 0.000 0.491 323 S N 4.203 119.619 115.700 -0.474 0.000 3.858 323 S HA -0.139 4.331 4.470 -0.000 0.000 0.356 323 S C 1.054 175.522 174.600 -0.218 0.000 1.013 323 S CA 1.469 59.400 58.200 -0.448 0.000 1.083 323 S CB -1.617 61.123 63.200 -0.767 0.000 0.883 323 S HN 2.441 nan 8.310 nan 0.000 0.475 324 G N 0.856 109.574 108.800 -0.137 0.000 5.426 324 G HA2 -0.082 3.878 3.960 -0.000 0.000 0.297 324 G HA3 -0.082 3.878 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 45.971 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 0.453 4.773 4.320 -0.000 0.000 0.235 325 A C 0.709 177.993 177.584 -0.500 0.000 1.035 325 A CA 1.880 53.710 52.037 -0.344 0.000 0.755 325 A CB -0.068 18.681 19.000 -0.419 0.000 0.954 325 A HN 1.278 nan 8.150 nan 0.000 0.511 326 T N 3.323 117.604 114.554 -0.455 0.000 2.733 326 T HA 0.524 4.874 4.350 -0.000 0.000 0.294 326 T C -0.784 173.678 174.700 -0.397 0.000 0.956 326 T CA 0.358 62.269 62.100 -0.314 0.000 0.987 326 T CB -0.046 68.738 68.868 -0.139 0.000 0.920 326 T HN 0.421 nan 8.240 nan 0.000 0.470 327 Y N 0.979 121.331 120.300 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 1.122 39.646 38.460 0.106 0.000 1.277 327 Y HN 0.667 nan 8.280 nan 0.000 0.490 328 T N 0.907 115.593 114.554 0.220 0.000 2.833 328 T HA 0.602 4.952 4.350 -0.000 0.000 0.297 328 T C -0.648 174.098 174.700 0.076 0.000 1.015 328 T CA -0.690 61.472 62.100 0.104 0.000 0.963 328 T CB -0.087 68.817 68.868 0.059 0.000 0.955 328 T HN 0.394 nan 8.240 nan 0.000 0.449 329 V N 3.803 123.741 119.914 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 -0.255 62.043 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 1.900 121.673 119.800 -0.046 0.000 2.252 330 Q HA 0.182 4.522 4.340 -0.000 0.000 0.195 330 Q C 0.523 176.447 176.000 -0.128 0.000 0.974 330 Q CA 0.375 56.134 55.803 -0.074 0.000 0.846 330 Q CB 0.125 28.831 28.738 -0.053 0.000 0.943 330 Q HN 0.627 nan 8.270 nan 0.000 0.516 331 L N 0.030 121.171 121.223 -0.137 0.000 3.730 331 L HA -0.206 4.134 4.340 -0.000 0.000 0.410 331 L C 0.739 177.535 176.870 -0.124 0.000 1.234 331 L CA 0.565 55.292 54.840 -0.188 0.000 0.911 331 L CB -2.320 39.508 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 0.055 4.015 3.960 -0.000 0.000 0.374 332 G HA3 0.055 4.015 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 45.175 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 -0.278 108.529 108.800 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 -1.721 173.187 174.900 0.013 0.000 1.349 334 G CA -0.708 44.402 45.100 0.018 0.000 1.037 334 G HN 0.062 nan 8.290 nan 0.000 0.508 335 P HA 0.073 nan 4.420 nan 0.000 0.229 335 P C 0.271 177.596 177.300 0.040 0.000 1.160 335 P CA 1.341 64.452 63.100 0.017 0.000 0.777 335 P CB -0.005 31.691 31.700 -0.006 0.000 0.814 336 T N -1.247 113.324 114.554 0.029 0.000 2.713 336 T HA -0.230 4.120 4.350 -0.000 0.000 0.482 336 T C -0.116 174.606 174.700 0.037 0.000 0.789 336 T CA 0.006 62.132 62.100 0.044 0.000 2.526 336 T CB -2.073 66.846 68.868 0.085 0.000 1.658 336 T HN 0.269 nan 8.240 nan 0.000 0.523 337 R N 1.112 121.588 120.500 -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 -0.409 55.629 56.100 -0.103 0.000 1.018 337 R CB 0.703 30.926 30.300 -0.128 0.000 0.962 337 R HN 0.687 nan 8.270 nan 0.000 0.428 338 V N 0.729 120.573 119.914 -0.117 0.000 2.715 338 V HA 0.479 4.599 4.120 -0.000 0.000 0.310 338 V C 0.412 176.508 176.094 0.003 0.000 1.054 338 V CA -1.247 61.040 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 3.345 123.990 120.570 0.126 0.000 2.662 339 I HA 0.095 4.265 4.170 -0.000 0.000 0.285 339 I C 0.656 176.888 176.117 0.191 0.000 1.161 339 I CA 0.548 61.972 61.300 0.207 0.000 1.415 339 I CB 0.020 38.222 38.000 0.337 0.000 1.385 339 I HN 0.726 nan 8.210 nan 0.000 0.552 340 D N 6.003 126.508 120.400 0.174 0.000 2.362 340 D HA 0.100 4.740 4.640 -0.000 0.000 0.242 340 D C 0.740 177.001 176.300 -0.066 0.000 1.132 340 D CA -0.130 53.958 54.000 0.147 0.000 0.907 340 D CB 1.157 42.039 40.800 0.136 0.000 1.195 340 D HN 0.367 nan 8.370 nan 0.000 0.429 341 M N 1.133 120.577 119.600 -0.261 0.000 2.447 341 M HA 0.029 4.509 4.480 -0.000 0.000 0.266 341 M C 0.427 176.520 176.300 -0.346 0.000 1.120 341 M CA 0.395 55.405 55.300 -0.483 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 1.382 119.986 118.700 -0.161 0.000 2.444 342 N HA 0.274 5.014 4.740 -0.000 0.000 0.255 342 N C 0.344 175.855 175.510 0.002 0.000 1.255 342 N CA 0.593 53.625 53.050 -0.029 0.000 0.933 342 N CB 0.466 38.934 38.487 -0.032 0.000 1.143 342 N HN 0.273 nan 8.380 nan 0.000 0.453 343 A N 1.074 123.929 122.820 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 0.883 120.530 119.600 0.077 0.000 5.138 344 M HA 0.169 4.649 4.480 -0.000 0.000 0.619 344 M C 0.316 176.748 176.300 0.221 0.000 2.259 344 M CA 0.109 55.428 55.300 0.032 0.000 0.432 344 M CB -0.145 32.283 32.600 -0.288 0.000 1.469 344 M HN 1.183 nan 8.290 nan 0.000 0.661 345 I N 2.075 122.748 120.570 0.172 0.000 2.755 345 I HA -0.236 3.934 4.170 -0.000 0.000 0.138 345 I C -0.021 176.205 176.117 0.182 0.000 0.888 345 I CA 0.354 61.738 61.300 0.141 0.000 2.763 345 I CB -0.790 37.239 38.000 0.048 0.000 0.573 345 I HN 0.503 nan 8.210 nan 0.000 0.352 346 D N 4.626 125.104 120.400 0.130 0.000 4.599 346 D HA -0.028 4.612 4.640 -0.000 0.000 0.245 346 D C 0.504 176.831 176.300 0.045 0.000 1.474 346 D CA 0.904 54.895 54.000 -0.014 0.000 0.960 346 D CB -0.102 40.585 40.800 -0.189 0.000 1.280 346 D HN 0.775 nan 8.370 nan 0.000 0.716 347 S N 0.773 116.556 115.700 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 1.292 64.513 63.200 0.035 0.000 1.313 347 S HN 0.246 nan 8.310 nan 0.000 0.555 348 V N 1.576 121.488 119.914 -0.002 0.000 2.320 348 V HA 0.382 4.502 4.120 -0.000 0.000 0.268 348 V C -0.972 175.081 176.094 -0.068 0.000 1.021 348 V CA -0.396 61.889 62.300 -0.025 0.000 0.813 348 V CB 0.195 31.998 31.823 -0.033 0.000 1.054 348 V HN 0.629 nan 8.190 nan 0.000 0.444 349 L N 3.237 124.411 121.223 -0.082 0.000 2.418 349 L HA 0.390 4.730 4.340 -0.000 0.000 0.274 349 L C 0.778 177.498 176.870 -0.250 0.000 1.135 349 L CA 0.995 55.726 54.840 -0.182 0.000 0.870 349 L CB 1.173 43.077 42.059 -0.259 0.000 1.154 349 L HN 0.606 nan 8.230 nan 0.000 0.462 350 T N 5.144 119.557 114.554 -0.235 0.000 3.068 350 T HA 0.318 4.668 4.350 -0.000 0.000 0.364 350 T C -0.816 173.723 174.700 -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 68.815 68.868 -0.161 0.000 1.060 350 T HN 0.304 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 -0.164 0.000 1.110 351 L CA -0.038 54.685 54.840 -0.195 0.000 0.863 351 L CB 0.330 42.308 42.059 -0.135 0.000 1.207 351 L HN 0.581 nan 8.230 nan 0.000 0.454 352 D N 4.556 124.818 120.400 -0.231 0.000 2.256 352 D HA 0.183 4.823 4.640 -0.000 0.000 0.250 352 D C -1.092 175.194 176.300 -0.024 0.000 1.093 352 D CA -0.307 53.584 54.000 -0.182 0.000 0.882 352 D CB 1.638 42.209 40.800 -0.381 0.000 1.185 352 D HN 0.358 nan 8.370 nan 0.000 0.437 353 V N 3.766 123.729 119.914 0.081 0.000 2.276 353 V HA 0.272 4.392 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 61.761 62.300 0.060 0.000 0.810 353 V CB 0.383 32.243 31.823 0.062 0.000 1.060 353 V HN 0.630 nan 8.190 nan 0.000 0.446 354 S N 1.838 117.608 115.700 0.118 0.000 2.540 354 S HA 0.765 5.235 4.470 -0.000 0.000 0.275 354 S C 0.690 175.354 174.600 0.107 0.000 1.123 354 S CA 0.317 58.614 58.200 0.162 0.000 0.907 354 S CB 2.056 65.345 63.200 0.149 0.000 1.081 354 S HN 1.874 nan 8.310 nan 0.000 0.476 355 G N 1.351 110.227 108.800 0.126 0.000 2.257 355 G HA2 -0.270 3.690 3.960 -0.000 0.000 0.267 355 G HA3 -0.270 3.690 3.960 -0.000 0.000 0.267 355 G C 0.387 175.324 174.900 0.062 0.000 0.984 355 G CA 0.560 45.711 45.100 0.085 0.000 0.626 355 G HN 1.168 nan 8.290 nan 0.000 0.540 356 T N 2.145 116.717 114.554 0.029 0.000 2.913 356 T HA 0.482 4.832 4.350 -0.000 0.000 0.297 356 T C 1.145 175.818 174.700 -0.046 0.000 1.029 356 T CA -0.547 61.528 62.100 -0.041 0.000 1.104 356 T CB 0.371 69.156 68.868 -0.138 0.000 0.964 356 T HN 0.209 nan 8.240 nan 0.000 0.532 357 I N 3.120 123.674 120.570 -0.027 0.000 2.948 357 I HA 0.058 4.228 4.170 -0.000 0.000 0.290 357 I C 0.266 176.374 176.117 -0.014 0.000 1.226 357 I CA 0.179 61.482 61.300 0.004 0.000 1.413 357 I CB 0.565 38.574 38.000 0.015 0.000 1.352 357 I HN 0.453 nan 8.210 nan 0.000 0.597 358 L N 8.499 129.763 121.223 0.070 0.000 2.490 358 L HA 0.409 4.749 4.340 -0.000 0.000 0.261 358 L C -2.301 174.585 176.870 0.026 0.000 1.232 358 L CA -1.047 53.893 54.840 0.167 0.000 0.892 358 L CB 1.339 43.705 42.059 0.511 0.000 1.085 358 L HN 0.257 nan 8.230 nan 0.000 0.491 359 P HA -0.031 nan 4.420 nan 0.000 0.249 359 P C 0.619 178.045 177.300 0.211 0.000 1.686 359 P CA 0.190 63.353 63.100 0.105 0.000 0.873 359 P CB -0.882 30.857 31.700 0.065 0.000 1.828 360 Y N -0.170 120.176 120.300 0.075 0.000 2.639 360 Y HA -0.103 4.447 4.550 -0.000 0.000 0.297 360 Y C 1.671 177.594 175.900 0.039 0.000 1.151 360 Y CA -0.217 57.914 58.100 0.052 0.000 1.335 360 Y CB -0.787 37.723 38.460 0.083 0.000 0.994 360 Y HN 0.073 nan 8.280 nan 0.000 0.548 361 D N 1.857 122.583 120.400 0.543 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 1.992 56.116 54.000 0.207 0.000 0.826 361 D CB -0.634 40.309 40.800 0.239 0.000 0.973 361 D HN 0.492 nan 8.370 nan 0.000 0.460 362 T N 1.062 115.680 114.554 0.107 0.000 2.849 362 T HA -0.113 4.237 4.350 -0.000 0.000 0.230 362 T C 1.156 175.888 174.700 0.053 0.000 1.071 362 T CA 0.330 62.468 62.100 0.063 0.000 1.559 362 T CB -1.212 67.691 68.868 0.058 0.000 1.141 362 T HN 0.246 nan 8.240 nan 0.000 0.417 363 N N 3.896 122.630 118.700 0.056 0.000 2.412 363 N HA 0.054 4.794 4.740 -0.000 0.000 0.279 363 N C -1.863 173.670 175.510 0.039 0.000 1.287 363 N CA -1.278 51.797 53.050 0.042 0.000 0.948 363 N CB 0.860 39.365 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 0.775 178.091 177.300 0.027 0.000 1.148 364 P CA 0.717 63.826 63.100 0.015 0.000 0.779 364 P CB 0.399 32.098 31.700 -0.003 0.000 0.780 365 D N 0.045 120.456 120.400 0.018 0.000 2.149 365 D HA -0.165 4.475 4.640 -0.000 0.000 0.198 365 D C 1.869 178.171 176.300 0.002 0.000 0.990 365 D CA 0.752 54.759 54.000 0.010 0.000 0.839 365 D CB -0.705 40.090 40.800 -0.008 0.000 0.948 365 D HN -0.011 nan 8.370 nan 0.000 0.460 366 L N 0.390 121.595 121.223 -0.030 0.000 2.017 366 L HA -0.022 4.318 4.340 -0.000 0.000 0.208 366 L C 1.257 178.170 176.870 0.072 0.000 1.073 366 L CA 1.003 55.774 54.840 -0.115 0.000 0.745 366 L CB -0.914 41.036 42.059 -0.182 0.000 0.894 366 L HN -0.087 nan 8.230 nan 0.000 0.432 367 S N -1.685 114.116 115.700 0.169 0.000 2.576 367 S HA 0.172 4.642 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 0.682 59.027 58.200 0.242 0.000 1.021 367 S CB 0.300 63.604 63.200 0.174 0.000 0.887 367 S HN 0.632 nan 8.310 nan 0.000 0.542 368 T N 0.513 115.174 114.554 0.179 0.000 7.990 368 T HA -0.190 4.160 4.350 -0.000 0.000 0.305 368 T C 0.184 174.992 174.700 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 1.294 nan 8.240 nan 0.000 0.911 369 S N 2.667 118.499 115.700 0.219 0.000 2.439 369 S HA 0.574 5.044 4.470 -0.000 0.000 0.282 369 S C 0.414 175.108 174.600 0.157 0.000 1.170 369 S CA -0.285 58.044 58.200 0.214 0.000 1.054 369 S CB 1.106 64.500 63.200 0.323 0.000 0.956 369 S HN 1.117 nan 8.310 nan 0.000 0.490 370 V N 1.787 121.666 119.914 -0.058 0.000 2.446 370 V HA 0.434 4.554 4.120 -0.000 0.000 0.276 370 V C -2.118 173.859 176.094 -0.194 0.000 1.030 370 V CA -1.978 60.252 62.300 -0.117 0.000 1.033 370 V CB -0.332 31.403 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 -0.376 176.790 177.300 -0.223 0.000 1.205 371 P CA 0.248 63.103 63.100 -0.408 0.000 0.771 371 P CB 1.389 32.853 31.700 -0.392 0.000 0.858 372 A N 3.396 126.100 122.820 -0.192 0.000 2.555 372 A HA 0.434 4.754 4.320 -0.000 0.000 0.297 372 A C -1.359 176.199 177.584 -0.044 0.000 1.060 372 A CA -0.648 51.316 52.037 -0.122 0.000 0.710 372 A CB 0.633 19.488 19.000 -0.242 0.000 1.282 372 A HN 0.406 nan 8.150 nan 0.000 0.399 373 F N 3.034 122.928 119.950 -0.094 0.000 2.506 373 F HA 0.479 5.006 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 0.484 58.454 58.000 -0.048 0.000 1.195 373 F CB 1.086 40.075 39.000 -0.020 0.000 1.099 373 F HN 0.794 nan 8.300 nan 0.000 0.548 374 V N 7.327 126.876 119.914 -0.609 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 61.116 62.300 -0.390 0.000 0.885 374 V CB 1.570 33.265 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 -0.229 0.000 2.453 375 L HA 0.587 4.927 4.340 -0.000 0.000 0.261 375 L C -0.011 176.847 176.870 -0.020 0.000 1.179 375 L CA 0.292 55.066 54.840 -0.110 0.000 0.813 375 L CB 1.136 43.195 42.059 0.001 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 -0.669 175.575 176.117 0.211 0.000 1.083 376 I CA -0.456 60.933 61.300 0.148 0.000 1.080 376 I CB 1.540 39.678 38.000 0.231 0.000 1.205 376 I HN 0.557 nan 8.210 nan 0.000 0.459 377 Q N 5.780 125.664 119.800 0.141 0.000 2.294 377 Q HA 0.390 4.730 4.340 -0.000 0.000 0.257 377 Q C -0.535 175.581 176.000 0.195 0.000 0.955 377 Q CA -0.338 55.548 55.803 0.139 0.000 0.936 377 Q CB 1.130 29.918 28.738 0.084 0.000 1.188 377 Q HN 0.692 nan 8.270 nan 0.000 0.420 378 T N 0.737 115.462 114.554 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 0.901 116.711 115.700 0.184 0.000 2.331 379 S HA 0.054 4.524 4.470 -0.000 0.000 0.208 379 S C 1.102 175.818 174.600 0.194 0.000 1.032 379 S CA 0.174 58.483 58.200 0.182 0.000 0.991 379 S CB -0.258 63.007 63.200 0.108 0.000 0.980 379 S HN 0.654 nan 8.310 nan 0.000 0.433 380 V N 4.565 124.516 119.914 0.061 0.000 2.843 380 V HA 0.124 4.244 4.120 -0.000 0.000 0.305 380 V C -2.259 173.646 176.094 -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 0.211 177.268 177.300 -0.406 0.000 1.187 381 P CA 0.142 62.565 63.100 -1.130 0.000 0.766 381 P CB 0.410 31.574 31.700 -0.892 0.000 0.820 382 I N 2.116 122.532 120.570 -0.258 0.000 3.427 382 I HA -0.185 3.985 4.170 -0.000 0.000 0.272 382 I C 0.687 176.631 176.117 -0.288 0.000 1.285 382 I CA 0.391 61.471 61.300 -0.365 0.000 1.300 382 I CB 0.027 37.431 38.000 -0.994 0.000 1.378 382 I HN 0.535 nan 8.210 nan 0.000 0.634 383 Q N 2.186 121.829 119.800 -0.262 0.000 2.494 383 Q HA -0.303 4.037 4.340 -0.000 0.000 0.272 383 Q C 0.181 176.109 176.000 -0.121 0.000 1.145 383 Q CA 1.115 56.814 55.803 -0.173 0.000 0.943 383 Q CB -1.169 27.463 28.738 -0.178 0.000 1.338 383 Q HN 0.708 nan 8.270 nan 0.000 0.492 384 Q N -1.276 118.464 119.800 -0.100 0.000 1.321 384 Q HA 0.103 4.443 4.340 -0.000 0.000 0.129 384 Q C -1.068 174.902 176.000 -0.049 0.000 0.724 384 Q CA 0.458 56.214 55.803 -0.078 0.000 0.623 384 Q CB 0.780 29.453 28.738 -0.109 0.000 1.107 384 Q HN 0.284 nan 8.270 nan 0.000 0.324 385 V N 1.838 121.740 119.914 -0.019 0.000 2.339 385 V HA 0.351 4.471 4.120 -0.000 0.000 0.261 385 V C 0.535 176.650 176.094 0.036 0.000 1.058 385 V CA 0.779 63.100 62.300 0.035 0.000 0.897 385 V CB 1.016 32.921 31.823 0.137 0.000 1.052 385 V HN 0.424 nan 8.190 nan 0.000 0.480 386 T N 4.514 119.071 114.554 0.005 0.000 2.755 386 T HA 0.080 4.429 4.350 -0.000 0.000 0.251 386 T C 0.780 175.465 174.700 -0.024 0.000 1.044 386 T CA 1.470 63.564 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 -1.531 113.008 114.554 -0.024 0.000 2.916 387 T HA 0.748 5.098 4.350 -0.000 0.000 0.292 387 T C 1.366 176.044 174.700 -0.036 0.000 1.055 387 T CA -0.248 61.830 62.100 -0.037 0.000 1.009 387 T CB 1.741 70.590 68.868 -0.031 0.000 1.118 387 T HN 0.110 nan 8.240 nan 0.000 0.497 388 A N 1.616 124.406 122.820 -0.050 0.000 1.968 388 A HA -0.230 4.090 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 3.142 55.153 52.037 -0.044 0.000 0.697 388 A CB -1.714 17.262 19.000 -0.041 0.000 0.836 388 A HN 1.721 nan 8.150 nan 0.000 0.497 389 A N -1.297 121.517 122.820 -0.011 0.000 2.178 389 A HA -0.168 4.152 4.320 -0.000 0.000 0.218 389 A C 1.831 179.422 177.584 0.013 0.000 1.157 389 A CA 1.643 53.681 52.037 0.001 0.000 0.689 389 A CB -0.806 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 0.002 175.545 175.510 0.055 0.000 1.016 390 N CA 0.033 53.102 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 2.020 122.615 120.570 0.041 0.000 2.471 391 I HA -0.073 4.097 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 0.877 38.884 38.000 0.011 0.000 1.430 391 I HN 0.168 nan 8.210 nan 0.000 0.533 392 T N 5.084 119.690 114.554 0.086 0.000 2.505 392 T HA -0.183 4.167 4.350 -0.000 0.000 0.259 392 T C 0.750 175.485 174.700 0.057 0.000 1.158 392 T CA 1.862 64.005 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 -0.646 122.212 122.820 0.063 0.000 2.583 393 A HA 0.766 5.086 4.320 -0.000 0.000 0.289 393 A C -1.696 175.920 177.584 0.054 0.000 1.151 393 A CA -0.758 51.311 52.037 0.052 0.000 0.695 393 A CB 1.361 20.391 19.000 0.050 0.000 1.290 393 A HN 0.371 nan 8.150 nan 0.000 0.419 394 I N 1.019 121.616 120.570 0.045 0.000 2.529 394 I HA 0.307 4.477 4.170 -0.000 0.000 0.284 394 I C -0.758 175.381 176.117 0.036 0.000 1.088 394 I CA -0.172 61.148 61.300 0.034 0.000 1.062 394 I CB 2.362 40.373 38.000 0.017 0.000 1.218 394 I HN 0.563 nan 8.210 nan 0.000 0.442 395 T N 5.330 119.901 114.554 0.027 0.000 2.767 395 T HA 0.292 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 61.750 62.100 0.038 0.000 0.996 395 T CB 1.890 70.790 68.868 0.054 0.000 0.927 395 T HN 0.178 nan 8.240 nan 0.000 0.456 396 V N 5.087 124.999 119.914 -0.003 0.000 2.287 396 V HA 0.055 4.175 4.120 -0.000 0.000 0.246 396 V C 1.523 177.605 176.094 -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 -0.365 0.000 1.242 396 V HN 0.823 nan 8.190 nan 0.000 0.497 397 V N 3.755 123.687 119.914 0.029 0.000 3.078 397 V HA 0.020 4.140 4.120 -0.000 0.000 0.265 397 V C 1.042 177.216 176.094 0.133 0.000 1.122 397 V CA 1.854 64.226 62.300 0.120 0.000 1.141 397 V CB 0.439 32.392 31.823 0.218 0.000 0.735 397 V HN 0.839 nan 8.190 nan 0.000 0.498 398 S N -0.847 114.905 115.700 0.087 0.000 2.240 398 S HA 0.584 5.054 4.470 -0.000 0.000 0.234 398 S C -0.502 174.101 174.600 0.005 0.000 0.850 398 S CA -0.103 58.144 58.200 0.078 0.000 1.015 398 S CB 0.123 63.397 63.200 0.124 0.000 1.268 398 S HN 0.761 nan 8.310 nan 0.000 0.384 399 A N 3.007 125.785 122.820 -0.070 0.000 2.252 399 A HA 0.937 5.257 4.320 -0.000 0.000 0.305 399 A C 0.426 177.994 177.584 -0.027 0.000 1.097 399 A CA -0.138 51.810 52.037 -0.147 0.000 0.849 399 A CB 0.834 19.603 19.000 -0.385 0.000 1.142 399 A HN 1.581 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 1.704 nan 8.150 nan 0.000 0.525 401 G N 1.476 110.297 108.800 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 0.727 45.857 45.100 0.050 0.000 0.884 401 G HN 2.531 nan 8.290 nan 0.000 0.537 402 A N 1.193 124.032 122.820 0.032 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 0.218 52.267 52.037 0.021 0.000 0.025 402 A CB -1.666 17.334 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 0.222 58.459 58.200 0.062 0.000 0.975 403 S CB 0.706 63.968 63.200 0.103 0.000 0.937 403 S HN 2.406 nan 8.310 nan 0.000 0.584 404 A N 0.513 123.410 122.820 0.129 0.000 3.056 404 A HA 0.617 4.937 4.320 -0.000 0.000 0.274 404 A C 0.296 178.042 177.584 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 0.076 120.759 120.570 0.189 0.000 2.613 405 I HA 0.072 4.242 4.170 -0.000 0.000 0.312 405 I C -0.050 176.150 176.117 0.138 0.000 1.276 405 I CA 0.272 61.757 61.300 0.309 0.000 0.701 405 I CB -0.565 37.573 38.000 0.231 0.000 2.842 405 I HN 0.667 nan 8.210 nan 0.000 0.821 406 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 0.594 176.056 175.510 -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 1.707 122.825 121.223 -0.175 0.000 2.529 407 L HA 0.428 4.768 4.340 -0.000 0.000 0.223 407 L C 1.260 177.895 176.870 -0.393 0.000 1.113 407 L CA 0.467 55.106 54.840 -0.336 0.000 0.861 407 L CB -0.549 41.161 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 -0.111 51.793 52.037 -0.221 0.000 0.822 408 A CB 0.567 19.407 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 0.119 4.289 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 -0.405 60.900 61.300 0.008 0.000 1.150 409 I CB 0.678 38.680 38.000 0.004 0.000 1.550 409 I HN 0.805 nan 8.210 nan 0.000 0.414 410 N N 5.604 124.335 118.700 0.051 0.000 2.452 410 N HA 0.318 5.058 4.740 -0.000 0.000 0.266 410 N C -0.371 175.166 175.510 0.045 0.000 1.209 410 N CA 0.046 53.132 53.050 0.060 0.000 0.929 410 N CB 1.006 39.539 38.487 0.077 0.000 1.063 410 N HN 0.401 nan 8.380 nan 0.000 0.472 411 V N 4.811 124.751 119.914 0.043 0.000 2.759 411 V HA 0.358 4.478 4.120 -0.000 0.000 0.342 411 V C -0.115 176.001 176.094 0.037 0.000 1.228 411 V CA -0.381 61.941 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 0.568 121.091 120.500 0.039 0.000 2.591 412 R HA -0.067 4.273 4.340 -0.000 0.000 0.306 412 R C 1.053 177.378 176.300 0.042 0.000 1.014 412 R CA 0.273 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 0.950 nan 8.270 nan 0.000 0.400 413 G N 0.824 109.654 108.800 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 0.449 45.585 45.100 0.060 0.000 0.933 413 G HN 0.452 nan 8.290 nan 0.000 0.731 414 Q N 3.268 123.105 119.800 0.061 0.000 2.364 414 Q HA 0.246 4.586 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 -0.768 55.069 55.803 0.057 0.000 0.923 414 Q CB 0.403 29.168 28.738 0.045 0.000 1.477 414 Q HN 0.444 nan 8.270 nan 0.000 0.484 415 P HA -0.019 nan 4.420 nan 0.000 0.267 415 P C -0.455 176.843 177.300 -0.005 0.000 1.209 415 P CA 0.246 63.337 63.100 -0.016 0.000 0.763 415 P CB 0.762 32.367 31.700 -0.157 0.000 0.816 416 R N 2.693 123.218 120.500 0.041 0.000 2.602 416 R HA 0.483 4.823 4.340 -0.000 0.000 0.237 416 R C 0.097 176.530 176.300 0.222 0.000 1.219 416 R CA -0.849 55.324 56.100 0.122 0.000 1.121 416 R CB 0.186 30.543 30.300 0.094 0.000 1.408 416 R HN 0.425 nan 8.270 nan 0.000 0.559 417 F N 0.786 120.717 119.950 -0.031 0.000 2.404 417 F HA 0.264 4.791 4.527 -0.000 0.000 0.354 417 F C 0.884 176.675 175.800 -0.015 0.000 1.122 417 F CA -0.442 57.541 58.000 -0.029 0.000 1.080 417 F CB 0.999 39.987 39.000 -0.020 0.000 1.131 417 F HN 0.264 nan 8.300 nan 0.000 0.471 418 N N 5.284 123.975 118.700 -0.015 0.000 2.414 418 N HA -0.028 4.712 4.740 -0.000 0.000 0.268 418 N C 0.242 175.772 175.510 0.033 0.000 1.286 418 N CA -0.273 52.771 53.050 -0.010 0.000 0.896 418 N CB 0.441 38.887 38.487 -0.068 0.000 1.093 418 N HN 0.527 nan 8.380 nan 0.000 0.480 419 M N 4.906 124.541 119.600 0.058 0.000 2.563 419 M HA -0.111 4.369 4.480 -0.000 0.000 0.423 419 M C -1.026 175.292 176.300 0.029 0.000 1.706 419 M CA 1.011 56.356 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 0.463 nan 8.290 nan 0.000 0.494 420 L N 3.950 125.235 121.223 0.102 0.000 2.434 420 L HA 0.605 4.945 4.340 -0.000 0.000 0.260 420 L C -1.413 175.601 176.870 0.241 0.000 0.983 420 L CA -0.672 54.200 54.840 0.054 0.000 0.820 420 L CB 2.115 44.189 42.059 0.025 0.000 1.361 420 L HN 0.505 nan 8.230 nan 0.000 0.410 421 H N 3.372 122.441 119.070 -0.000 0.000 2.638 421 H HA 0.557 5.113 4.556 -0.000 0.000 0.303 421 H C -0.717 174.599 175.328 -0.021 0.000 1.034 421 H CA -0.970 55.070 56.048 -0.014 0.000 1.225 421 H CB 1.204 30.950 29.762 -0.026 0.000 1.394 421 H HN 0.511 nan 8.280 nan 0.000 0.477 422 L N 2.655 123.932 121.223 0.089 0.000 2.475 422 L HA 0.281 4.621 4.340 -0.000 0.000 0.253 422 L C 0.153 177.007 176.870 -0.027 0.000 1.198 422 L CA -0.475 54.390 54.840 0.042 0.000 0.814 422 L CB 0.299 42.393 42.059 0.059 0.000 1.134 422 L HN 0.684 nan 8.230 nan 0.000 0.478 423 Q N 0.303 120.080 119.800 -0.039 0.000 2.613 423 Q HA 0.606 4.946 4.340 -0.000 0.000 0.231 423 Q C -1.781 174.181 176.000 -0.064 0.000 0.879 423 Q CA -0.623 55.108 55.803 -0.121 0.000 1.083 423 Q CB 0.873 29.574 28.738 -0.062 0.000 1.588 423 Q HN 0.754 nan 8.270 nan 0.000 0.500 424 A N 1.748 124.492 122.820 -0.126 0.000 2.257 424 A HA 0.868 5.188 4.320 -0.000 0.000 0.290 424 A C 0.049 177.649 177.584 0.026 0.000 1.201 424 A CA -0.240 51.820 52.037 0.040 0.000 0.863 424 A CB 1.185 20.307 19.000 0.203 0.000 1.256 424 A HN 0.718 nan 8.150 nan 0.000 0.506 425 T N 0.611 115.217 114.554 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 -0.672 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 0.182 175.993 175.800 0.018 0.000 1.094 426 F CA 0.256 58.281 58.000 0.042 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 6.773 126.284 120.200 -1.147 0.000 2.255 427 E HA 0.197 4.547 4.350 -0.000 0.000 0.256 427 E C 0.838 176.850 176.600 -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 31.003 29.700 -0.371 0.000 1.214 427 E HN 0.705 nan 8.360 nan 0.000 0.417 428 R N 1.841 121.908 120.500 -0.721 0.000 2.327 428 R HA -0.312 4.028 4.340 -0.000 0.000 0.239 428 R C 1.600 177.786 176.300 -0.190 0.000 1.085 428 R CA 2.797 58.716 56.100 -0.300 0.000 0.890 428 R CB -0.262 29.969 30.300 -0.114 0.000 0.983 428 R HN 0.699 nan 8.270 nan 0.000 0.419 429 E N -0.059 120.038 120.200 -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 -0.229 29.429 29.700 -0.071 0.000 0.795 429 E HN 0.489 nan 8.360 nan 0.000 0.492 430 T N -0.433 114.039 114.554 -0.137 0.000 2.946 430 T HA -0.075 4.274 4.350 -0.000 0.000 0.271 430 T C 1.522 176.223 174.700 0.002 0.000 1.104 430 T CA 0.722 62.782 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 2.073 122.662 120.570 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 -0.105 38.034 38.000 0.232 0.000 1.339 431 I HN 0.165 nan 8.210 nan 0.000 0.449 432 T N 0.697 115.252 114.554 0.002 0.000 2.930 432 T HA 0.302 4.652 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 0.799 62.892 62.100 -0.012 0.000 1.134 432 T CB 1.422 70.280 68.868 -0.016 0.000 0.961 432 T HN 0.691 nan 8.240 nan 0.000 0.545 433 G N 2.977 111.755 108.800 -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 0.510 175.358 174.900 -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 3.768 124.294 120.570 -0.073 0.000 3.683 434 I HA -0.100 4.070 4.170 -0.000 0.000 0.302 434 I C -0.549 175.440 176.117 -0.213 0.000 1.225 434 I CA 0.328 61.567 61.300 -0.101 0.000 1.536 434 I CB 0.035 38.006 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 -0.990 0.000 1.153 435 P CA 1.594 64.232 63.100 -0.770 0.000 0.853 435 P CB 0.121 31.166 31.700 -1.093 0.000 0.788 436 Y N -1.086 119.175 120.300 -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 -1.234 56.771 58.100 -0.158 0.000 1.123 436 Y CB 1.513 40.010 38.460 0.060 0.000 1.165 436 Y HN -0.223 nan 8.280 nan 0.000 0.452 437 I N 3.313 123.528 120.570 -0.592 0.000 2.753 437 I HA 0.521 4.691 4.170 -0.000 0.000 0.291 437 I C -2.226 173.347 176.117 -0.907 0.000 1.425 437 I CA -0.709 60.314 61.300 -0.462 0.000 1.039 437 I CB 1.857 39.750 38.000 -0.179 0.000 1.349 437 I HN 0.591 nan 8.210 nan 0.000 0.430 438 Y N 4.515 124.832 120.300 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 40.551 38.460 -0.044 0.000 1.263 438 Y HN 0.560 nan 8.280 nan 0.000 0.454 439 G N 2.833 111.689 108.800 0.092 0.000 2.353 439 G HA2 0.545 4.505 3.960 -0.000 0.000 0.284 439 G HA3 0.545 4.505 3.960 -0.000 0.000 0.284 439 G C -1.409 173.433 174.900 -0.096 0.000 1.172 439 G CA -0.490 44.583 45.100 -0.046 0.000 0.854 439 G HN 0.624 nan 8.290 nan 0.000 0.485 440 L N 2.726 123.672 121.223 -0.462 0.000 2.439 440 L HA 0.582 4.922 4.340 -0.000 0.000 0.270 440 L C 0.390 177.068 176.870 -0.320 0.000 0.972 440 L CA -0.966 53.758 54.840 -0.195 0.000 0.836 440 L CB 2.040 44.076 42.059 -0.039 0.000 1.255 440 L HN 0.629 nan 8.230 nan 0.000 0.404 441 G N 2.229 111.054 108.800 0.042 0.000 3.161 441 G HA2 0.283 4.243 3.960 -0.000 0.000 0.293 441 G HA3 0.283 4.243 3.960 -0.000 0.000 0.293 441 G C 0.099 175.015 174.900 0.027 0.000 0.893 441 G CA -0.002 45.197 45.100 0.165 0.000 1.756 441 G HN 0.585 nan 8.290 nan 0.000 0.549 442 T N 0.276 114.812 114.554 -0.030 0.000 3.204 442 T HA 0.446 4.796 4.350 -0.000 0.000 0.312 442 T C 0.717 175.425 174.700 0.013 0.000 1.254 442 T CA -0.215 61.895 62.100 0.017 0.000 0.913 442 T CB 0.628 69.501 68.868 0.009 0.000 2.143 442 T HN 0.147 nan 8.240 nan 0.000 0.569 443 F N -0.630 119.295 119.950 -0.041 0.000 2.619 443 F HA 0.529 5.056 4.527 -0.000 0.000 0.281 443 F C 0.423 176.181 175.800 -0.069 0.000 1.065 443 F CA -0.201 57.785 58.000 -0.024 0.000 1.304 443 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 0.648 444 L N 2.226 123.520 121.223 0.118 0.000 3.523 444 L HA -0.217 4.123 4.340 -0.000 0.000 0.668 444 L C -0.895 176.027 176.870 0.087 0.000 1.211 444 L CA -0.116 54.734 54.840 0.016 0.000 1.096 444 L CB -1.520 40.393 42.059 -0.243 0.000 1.617 444 L HN 0.025 nan 8.230 nan 0.000 0.873 445 I N 3.486 124.160 120.570 0.174 0.000 2.556 445 I HA 0.087 4.257 4.170 -0.000 0.000 0.284 445 I C -0.625 175.669 176.117 0.296 0.000 1.114 445 I CA -1.438 59.976 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 0.167 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 0.532 63.855 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 -1.416 114.355 115.700 0.117 0.000 2.305 447 S HA 0.246 4.716 4.470 -0.000 0.000 0.208 447 S C -3.201 171.422 174.600 0.038 0.000 0.797 447 S CA -1.219 57.017 58.200 0.059 0.000 1.007 447 S CB 0.194 63.421 63.200 0.045 0.000 1.334 447 S HN -0.088 nan 8.310 nan 0.000 0.380 448 P HA 0.321 nan 4.420 nan 0.000 0.265 448 P C -0.312 176.980 177.300 -0.013 0.000 1.193 448 P CA 0.466 63.564 63.100 -0.003 0.000 0.765 448 P CB 0.797 32.488 31.700 -0.014 0.000 0.823 449 T N 1.117 115.657 114.554 -0.023 0.000 2.804 449 T HA 0.216 4.566 4.350 -0.000 0.000 0.290 449 T C 1.414 176.092 174.700 -0.036 0.000 1.099 449 T CA -0.377 61.711 62.100 -0.020 0.000 1.011 449 T CB 1.022 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 2.361 176.975 174.600 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 62.792 63.200 0.023 0.000 0.803 450 S HN 0.813 nan 8.310 nan 0.000 0.480 451 S N 1.555 117.279 115.700 0.041 0.000 2.368 451 S HA -0.019 4.451 4.470 -0.000 0.000 0.225 451 S C 1.272 175.914 174.600 0.071 0.000 1.030 451 S CA 0.870 59.117 58.200 0.079 0.000 0.999 451 S CB -0.408 62.821 63.200 0.048 0.000 0.844 451 S HN 0.275 nan 8.310 nan 0.000 0.459 452 S N 2.443 118.138 115.700 -0.008 0.000 3.513 452 S HA 0.350 4.820 4.470 -0.000 0.000 0.209 452 S C 0.446 174.962 174.600 -0.140 0.000 1.446 452 S CA -0.547 57.623 58.200 -0.050 0.000 1.150 452 S CB -0.464 62.693 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 -0.379 174.532 175.510 -0.997 0.000 1.148 453 N CA 0.449 53.096 53.050 -0.672 0.000 0.883 453 N CB 0.429 38.360 38.487 -0.927 0.000 1.012 453 N HN 0.431 nan 8.380 nan 0.000 0.507 454 F N -1.216 118.718 119.950 -0.027 0.000 2.936 454 F HA 0.393 4.920 4.527 -0.000 0.000 0.334 454 F C 1.651 177.435 175.800 -0.027 0.000 1.170 454 F CA -0.342 57.645 58.000 -0.023 0.000 1.104 454 F CB 0.151 39.142 39.000 -0.016 0.000 1.216 454 F HN -0.213 nan 8.300 nan 0.000 0.518 455 S N 0.128 115.873 115.700 0.075 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 -0.394 62.784 63.200 -0.038 0.000 0.900 455 S HN 0.535 nan 8.310 nan 0.000 0.469 456 N N 0.921 119.596 118.700 -0.043 0.000 2.469 456 N HA -0.090 4.650 4.740 -0.000 0.000 0.283 456 N C -2.857 172.636 175.510 -0.028 0.000 1.326 456 N CA 0.187 53.216 53.050 -0.035 0.000 0.646 456 N CB 0.111 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 -0.021 nan 4.420 nan 0.000 0.269 457 P C 0.084 177.520 177.300 0.227 0.000 1.461 457 P CA 0.374 63.511 63.100 0.062 0.000 0.809 457 P CB 0.009 31.732 31.700 0.038 0.000 1.503 458 T N 0.886 115.490 114.554 0.084 0.000 2.784 458 T HA 0.104 4.454 4.350 -0.000 0.000 0.291 458 T C 1.081 175.795 174.700 0.023 0.000 0.942 458 T CA -0.192 61.935 62.100 0.046 0.000 1.161 458 T CB -0.307 68.555 68.868 -0.010 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 0.009 0.000 2.627 459 L HA 0.090 4.430 4.340 -0.000 0.000 0.232 459 L C 2.023 178.837 176.870 -0.092 0.000 1.150 459 L CA -0.226 54.562 54.840 -0.086 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 -0.046 119.510 119.600 -0.072 0.000 2.446 460 M HA -0.143 4.337 4.480 -0.000 0.000 0.263 460 M C 1.706 177.894 176.300 -0.187 0.000 1.066 460 M CA 1.050 56.302 55.300 -0.080 0.000 1.087 460 M CB -0.899 31.657 32.600 -0.072 0.000 1.406 460 M HN 0.343 nan 8.290 nan 0.000 0.459 461 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 0.536 54.309 54.000 -0.378 0.000 0.899 461 D CB -0.640 39.978 40.800 -0.303 0.000 0.907 461 D HN 0.258 nan 8.370 nan 0.000 0.514 462 G N 0.296 109.025 108.800 -0.119 0.000 2.572 462 G HA2 0.332 4.292 3.960 -0.000 0.000 0.261 462 G HA3 0.332 4.292 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 -0.813 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 1.698 122.909 121.223 -0.019 0.000 2.404 463 L HA 0.311 4.651 4.340 -0.000 0.000 0.277 463 L C 0.210 177.038 176.870 -0.070 0.000 1.184 463 L CA -0.827 54.003 54.840 -0.016 0.000 1.013 463 L CB -0.094 41.953 42.059 -0.020 0.000 1.318 463 L HN 0.438 nan 8.230 nan 0.000 0.435 464 L N 4.365 125.575 121.223 -0.022 0.000 2.416 464 L HA 0.326 4.666 4.340 -0.000 0.000 0.272 464 L C -0.239 176.546 176.870 -0.142 0.000 1.161 464 L CA 0.758 55.565 54.840 -0.056 0.000 0.845 464 L CB 1.206 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 5.463 119.893 114.554 -0.207 0.000 3.064 465 T HA 0.288 4.638 4.350 -0.000 0.000 0.367 465 T C -0.531 174.030 174.700 -0.231 0.000 1.202 465 T CA -0.299 61.642 62.100 -0.265 0.000 1.133 465 T CB 0.720 69.448 68.868 -0.232 0.000 1.074 465 T HN 0.655 nan 8.240 nan 0.000 0.519 466 V N 4.207 123.968 119.914 -0.254 0.000 2.614 466 V HA 0.695 4.815 4.120 -0.000 0.000 0.291 466 V C 0.039 176.030 176.094 -0.172 0.000 1.049 466 V CA 0.081 62.272 62.300 -0.182 0.000 1.038 466 V CB 0.877 32.600 31.823 -0.166 0.000 0.980 466 V HN 0.932 nan 8.190 nan 0.000 0.481 467 T N 5.827 120.312 114.554 -0.116 0.000 2.963 467 T HA 0.490 4.840 4.350 -0.000 0.000 0.328 467 T C -2.679 171.985 174.700 -0.061 0.000 1.048 467 T CA -1.733 60.312 62.100 -0.092 0.000 1.033 467 T CB 1.211 70.032 68.868 -0.078 0.000 1.010 467 T HN 0.720 nan 8.240 nan 0.000 0.469 468 P HA 0.005 nan 4.420 nan 0.000 0.256 468 P C 0.160 177.444 177.300 -0.027 0.000 1.173 468 P CA -0.047 63.032 63.100 -0.036 0.000 0.768 468 P CB 0.801 32.477 31.700 -0.040 0.000 0.758 469 V N 7.141 127.045 119.914 -0.018 0.000 2.219 469 V HA 0.321 4.441 4.120 -0.000 0.000 0.267 469 V C -0.241 175.842 176.094 -0.020 0.000 1.266 469 V CA -0.268 62.020 62.300 -0.020 0.000 1.270 469 V CB -0.835 30.976 31.823 -0.021 0.000 1.356 469 V HN 0.515 nan 8.190 nan 0.000 0.490 470 L N 5.276 126.489 121.223 -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 -0.095 54.736 54.840 -0.014 0.000 1.395 470 L CB 0.168 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 1.644 122.863 121.223 -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 2.719 57.557 54.840 -0.003 0.000 0.760 471 L CB -0.705 41.356 42.059 0.003 0.000 0.889 471 L HN 0.708 nan 8.230 nan 0.000 0.433 472 R N 0.573 121.076 120.500 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 1.159 57.266 56.100 0.011 0.000 0.975 472 R CB -0.640 29.664 30.300 0.008 0.000 0.871 472 R HN 0.459 nan 8.270 nan 0.000 0.450 473 E N 1.317 121.520 120.200 0.006 0.000 2.146 473 E HA 0.139 4.489 4.350 -0.000 0.000 0.282 473 E C -0.714 175.888 176.600 0.004 0.000 0.989 473 E CA -0.266 56.139 56.400 0.010 0.000 0.799 473 E CB 1.881 31.589 29.700 0.013 0.000 1.088 473 E HN 0.092 nan 8.360 nan 0.000 0.397 474 T N 1.489 116.045 114.554 0.002 0.000 2.893 474 T HA 0.438 4.788 4.350 -0.000 0.000 0.279 474 T C -0.480 174.234 174.700 0.023 0.000 0.991 474 T CA -0.215 61.878 62.100 -0.012 0.000 0.950 474 T CB 1.399 70.235 68.868 -0.053 0.000 1.223 474 T HN 0.321 nan 8.240 nan 0.000 0.585 475 T N 1.742 116.319 114.554 0.038 0.000 2.916 475 T HA 0.558 4.908 4.350 -0.000 0.000 0.298 475 T C -2.091 172.724 174.700 0.193 0.000 1.031 475 T CA -0.335 61.819 62.100 0.090 0.000 0.993 475 T CB 1.068 69.973 68.868 0.061 0.000 1.045 475 T HN 0.491 nan 8.240 nan 0.000 0.454 476 Y N 2.738 123.048 120.300 0.016 0.000 2.361 476 Y HA 0.367 4.917 4.550 -0.000 0.000 0.328 476 Y C 0.116 176.037 175.900 0.036 0.000 1.044 476 Y CA -1.395 56.716 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 3.851 123.931 120.400 -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 1.338 57.362 56.287 -0.439 0.000 0.831 477 K CB -1.671 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 -0.836 107.943 108.800 -0.036 0.000 2.201 478 G HA2 -0.243 3.717 3.960 -0.000 0.000 0.212 478 G HA3 -0.243 3.717 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 0.304 45.419 45.100 0.026 0.000 0.644 478 G HN 0.326 nan 8.290 nan 0.000 0.508 479 E N -0.427 119.798 120.200 0.042 0.000 2.221 479 E HA 0.665 5.015 4.350 -0.000 0.000 0.268 479 E C -0.003 176.644 176.600 0.078 0.000 0.933 479 E CA -0.612 55.822 56.400 0.057 0.000 0.809 479 E CB 2.362 32.093 29.700 0.052 0.000 1.190 479 E HN 0.221 nan 8.360 nan 0.000 0.406 480 V N 2.781 122.736 119.914 0.068 0.000 2.407 480 V HA 0.440 4.560 4.120 -0.000 0.000 0.278 480 V C -0.137 175.992 176.094 0.058 0.000 1.037 480 V CA -0.416 61.923 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 3.064 123.012 119.914 0.056 0.000 3.119 481 V HA 0.547 4.667 4.120 -0.000 0.000 0.311 481 V C 0.124 176.238 176.094 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 34.279 31.823 0.060 0.000 1.123 481 V HN 0.768 nan 8.190 nan 0.000 0.463 482 D N 0.002 120.421 120.400 0.031 0.000 2.500 482 D HA 0.488 5.128 4.640 -0.000 0.000 0.218 482 D C 0.094 176.416 176.300 0.037 0.000 1.140 482 D CA 0.747 54.765 54.000 0.029 0.000 0.830 482 D CB 1.790 42.605 40.800 0.025 0.000 1.055 482 D HN 0.677 nan 8.370 nan 0.000 0.512 483 A N 0.748 123.590 122.820 0.038 0.000 2.549 483 A HA 0.642 4.962 4.320 -0.000 0.000 0.297 483 A C -0.731 176.873 177.584 0.033 0.000 1.061 483 A CA -0.558 51.510 52.037 0.052 0.000 0.690 483 A CB 1.464 20.493 19.000 0.047 0.000 1.287 483 A HN -0.023 nan 8.150 nan 0.000 0.402 484 I N 0.272 120.873 120.570 0.051 0.000 3.062 484 I HA 0.524 4.694 4.170 -0.000 0.000 0.316 484 I C -0.099 176.027 176.117 0.015 0.000 1.041 484 I CA -0.927 60.354 61.300 -0.030 0.000 1.069 484 I CB 1.944 39.866 38.000 -0.131 0.000 1.300 484 I HN 0.263 nan 8.210 nan 0.000 0.518 485 V N 3.255 123.144 119.914 -0.042 0.000 2.711 485 V HA 0.155 4.275 4.120 -0.000 0.000 0.335 485 V C -1.753 174.342 176.094 0.001 0.000 1.235 485 V CA -1.042 61.259 62.300 0.001 0.000 1.250 485 V CB -0.212 31.616 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 3.214 66.355 63.100 0.068 0.000 1.075 486 P CB -0.233 31.547 31.700 0.134 0.000 0.715 487 A N -2.226 120.620 122.820 0.044 0.000 2.009 487 A HA -0.317 4.003 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 3.104 55.166 52.037 0.041 0.000 0.651 487 A CB -1.856 17.164 19.000 0.034 0.000 0.815 487 A HN 0.406 nan 8.150 nan 0.000 0.459 488 T N -0.605 113.966 114.554 0.029 0.000 2.777 488 T HA -0.084 4.266 4.350 -0.000 0.000 0.266 488 T C 1.678 176.425 174.700 0.077 0.000 1.040 488 T CA 1.567 63.700 62.100 0.056 0.000 1.141 488 T CB -0.318 68.586 68.868 0.060 0.000 0.868 488 T HN 0.229 nan 8.240 nan 0.000 0.444 489 V N 1.647 121.558 119.914 -0.005 0.000 3.305 489 V HA 0.053 4.173 4.120 -0.000 0.000 0.269 489 V C 0.826 176.968 176.094 0.079 0.000 1.157 489 V CA 0.426 62.743 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 0.061 119.704 119.600 0.072 0.000 2.235 490 M HA 0.423 4.903 4.480 -0.000 0.000 0.351 490 M C 1.051 177.399 176.300 0.079 0.000 1.178 490 M CA -0.044 55.303 55.300 0.079 0.000 1.143 490 M CB -0.239 32.404 32.600 0.071 0.000 1.530 490 M HN 0.237 nan 8.290 nan 0.000 0.461 491 A N 2.970 125.837 122.820 0.077 0.000 2.409 491 A HA -0.220 4.100 4.320 -0.000 0.000 0.290 491 A C 0.915 178.540 177.584 0.069 0.000 1.440 491 A CA 1.331 53.408 52.037 0.067 0.000 0.775 491 A CB -1.807 17.227 19.000 0.056 0.000 1.069 491 A HN 0.920 nan 8.150 nan 0.000 0.389 492 N N -2.106 116.645 118.700 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 0.376 176.404 176.000 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 -3.251 111.323 114.554 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 -0.098 62.015 62.100 0.023 0.000 0.982 494 T CB 0.831 69.704 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 -0.226 4.244 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 2.181 60.392 58.200 0.020 0.000 1.159 495 S CB -0.596 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 1.300 177.916 176.600 0.026 0.000 1.027 496 E CA 0.087 56.501 56.400 0.022 0.000 0.900 496 E CB -0.111 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 0.983 121.198 120.200 0.024 0.000 2.526 497 E HA -0.020 4.330 4.350 -0.000 0.000 0.198 497 E C 1.044 177.685 176.600 0.067 0.000 1.091 497 E CA 0.129 56.547 56.400 0.030 0.000 0.880 497 E CB 0.411 30.122 29.700 0.018 0.000 0.873 497 E HN 0.142 nan 8.360 nan 0.000 0.527 498 V N -0.315 119.641 119.914 0.069 0.000 2.840 498 V HA 0.087 4.207 4.120 -0.000 0.000 0.234 498 V C 2.005 178.156 176.094 0.095 0.000 1.159 498 V CA 1.076 63.425 62.300 0.083 0.000 1.194 498 V CB 0.018 31.881 31.823 0.067 0.000 0.971 498 V HN 0.314 nan 8.190 nan 0.000 0.494 499 A N -0.704 122.167 122.820 0.084 0.000 2.125 499 A HA -0.144 4.176 4.320 -0.000 0.000 0.219 499 A C 2.201 179.875 177.584 0.150 0.000 1.156 499 A CA 1.938 54.037 52.037 0.105 0.000 0.671 499 A CB -0.361 18.687 19.000 0.080 0.000 0.794 499 A HN 0.437 nan 8.150 nan 0.000 0.459 500 S N -0.869 114.905 115.700 0.123 0.000 2.577 500 S HA 0.520 4.990 4.470 -0.000 0.000 0.219 500 S C 0.859 175.585 174.600 0.210 0.000 0.962 500 S CA 0.309 58.579 58.200 0.118 0.000 0.921 500 S CB -0.809 62.406 63.200 0.026 0.000 0.789 500 S HN 0.746 nan 8.310 nan 0.000 0.497 501 A N 1.444 124.390 122.820 0.210 0.000 2.492 501 A HA 0.361 4.681 4.320 -0.000 0.000 0.236 501 A C 0.020 177.719 177.584 0.193 0.000 1.078 501 A CA -0.046 52.118 52.037 0.211 0.000 0.773 501 A CB 0.098 19.187 19.000 0.148 0.000 1.023 501 A HN 0.589 nan 8.150 nan 0.000 0.504 502 L N 2.318 123.550 121.223 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 0.577 42.133 42.059 -0.838 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 -0.028 0.000 2.494 503 A HA -0.199 4.121 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 1.319 53.313 52.037 -0.072 0.000 1.099 503 A CB -0.850 18.072 19.000 -0.131 0.000 0.783 503 A HN 1.090 nan 8.150 nan 0.000 0.433 504 N N 0.105 118.769 118.700 -0.060 0.000 2.765 504 N HA -0.141 4.599 4.740 -0.000 0.000 0.254 504 N C -0.873 174.597 175.510 -0.067 0.000 1.094 504 N CA 1.315 54.325 53.050 -0.065 0.000 0.680 504 N CB -0.764 37.690 38.487 -0.056 0.000 0.902 504 N HN 1.058 nan 8.380 nan 0.000 0.557 505 D N -1.022 119.343 120.400 -0.059 0.000 2.490 505 D HA 0.682 5.322 4.640 -0.000 0.000 0.232 505 D C 1.285 177.544 176.300 -0.069 0.000 1.053 505 D CA -0.167 53.817 54.000 -0.027 0.000 0.914 505 D CB 0.873 41.690 40.800 0.028 0.000 1.431 505 D HN 0.169 nan 8.370 nan 0.000 0.483 506 A N 1.662 124.435 122.820 -0.077 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 2.661 54.538 52.037 -0.268 0.000 0.681 506 A CB -1.309 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 -0.549 120.012 120.570 -0.015 0.000 2.113 507 I HA -0.310 3.860 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 1.891 63.212 61.300 0.035 0.000 1.314 507 I CB -0.561 37.521 38.000 0.136 0.000 1.022 507 I HN 0.220 nan 8.210 nan 0.000 0.408 508 V N 0.575 120.483 119.914 -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 1.340 63.629 62.300 -0.018 0.000 1.101 508 V CB -0.431 31.385 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 2.000 178.732 176.870 -0.230 0.000 1.078 509 L CA 0.714 55.373 54.840 -0.303 0.000 0.780 509 L CB -0.150 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 -1.411 118.379 119.914 -0.206 0.000 3.623 510 V HA -0.070 4.050 4.120 -0.000 0.000 0.274 510 V C 1.936 178.084 176.094 0.089 0.000 1.244 510 V CA 1.088 63.386 62.300 -0.003 0.000 1.182 510 V CB 0.047 31.847 31.823 -0.037 0.000 0.925 510 V HN 0.305 nan 8.190 nan 0.000 0.462 511 S N 0.170 115.907 115.700 0.061 0.000 2.599 511 S HA 0.057 4.527 4.470 -0.000 0.000 0.236 511 S C 1.737 176.388 174.600 0.086 0.000 1.077 511 S CA 0.270 58.511 58.200 0.069 0.000 0.906 511 S CB 0.015 63.238 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 1.346 176.979 175.510 0.205 0.000 1.019 512 N CA 0.956 54.075 53.050 0.115 0.000 0.881 512 N CB -0.241 38.303 38.487 0.094 0.000 0.972 512 N HN 0.425 nan 8.380 nan 0.000 0.435 513 H N 0.370 119.522 119.070 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 1.098 57.254 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 2.037 178.973 176.870 0.110 0.000 1.080 514 L CA 1.545 56.509 54.840 0.207 0.000 0.754 514 L CB -0.556 41.648 42.059 0.240 0.000 0.893 514 L HN 0.321 nan 8.230 nan 0.000 0.433 515 N N -0.236 118.495 118.700 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 0.961 54.012 53.050 0.001 0.000 0.862 515 N CB 0.045 38.541 38.487 0.014 0.000 0.986 515 N HN 0.200 nan 8.380 nan 0.000 0.429 516 K N 0.526 120.941 120.400 0.025 0.000 2.007 516 K HA 0.006 4.326 4.320 -0.000 0.000 0.206 516 K C 1.826 178.435 176.600 0.014 0.000 1.047 516 K CA 0.397 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 1.375 122.604 121.223 0.011 0.000 2.187 517 L HA -0.089 4.251 4.340 -0.000 0.000 0.213 517 L C 1.945 178.934 176.870 0.197 0.000 1.100 517 L CA 1.726 56.607 54.840 0.068 0.000 0.765 517 L CB -0.820 41.270 42.059 0.053 0.000 0.904 517 L HN 0.074 nan 8.230 nan 0.000 0.437 518 A N -0.337 122.596 122.820 0.188 0.000 2.014 518 A HA -0.152 4.168 4.320 -0.000 0.000 0.218 518 A C 1.829 179.455 177.584 0.070 0.000 1.163 518 A CA 1.282 53.398 52.037 0.132 0.000 0.652 518 A CB -0.381 18.512 19.000 -0.178 0.000 0.808 518 A HN 0.548 nan 8.150 nan 0.000 0.449 519 N N -0.486 118.240 118.700 0.044 0.000 2.392 519 N HA 0.027 4.767 4.740 -0.000 0.000 0.177 519 N C 1.488 177.020 175.510 0.036 0.000 1.066 519 N CA 0.825 53.892 53.050 0.029 0.000 0.895 519 N CB 0.339 38.835 38.487 0.014 0.000 0.988 519 N HN 0.261 nan 8.380 nan 0.000 0.457 520 V N 1.096 121.036 119.914 0.044 0.000 2.346 520 V HA -0.144 3.976 4.120 -0.000 0.000 0.244 520 V C 2.504 178.626 176.094 0.046 0.000 1.037 520 V CA 1.307 63.628 62.300 0.035 0.000 1.029 520 V CB -0.535 31.303 31.823 0.024 0.000 0.663 520 V HN 0.115 nan 8.190 nan 0.000 0.454 521 V N 0.097 120.055 119.914 0.074 0.000 2.270 521 V HA -0.037 4.083 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 2.124 64.471 62.300 0.078 0.000 1.014 521 V CB -2.003 29.896 31.823 0.126 0.000 0.645 521 V HN 0.422 nan 8.190 nan 0.000 0.447 522 G N 0.005 108.848 108.800 0.071 0.000 2.547 522 G HA2 -0.328 3.632 3.960 -0.000 0.000 0.221 522 G HA3 -0.328 3.632 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 1.415 46.544 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 1.140 55.155 54.000 0.024 0.000 0.889 523 D CB -0.312 40.501 40.800 0.021 0.000 1.018 523 D HN 0.209 nan 8.370 nan 0.000 0.448 524 A N 1.436 124.270 122.820 0.024 0.000 1.835 524 A HA -0.067 4.253 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 0.709 52.758 52.037 0.021 0.000 0.615 524 A CB -0.873 18.138 19.000 0.018 0.000 0.838 524 A HN 0.279 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 -1.753 174.383 176.117 0.031 0.000 1.166 525 I CA -1.331 59.987 61.300 0.029 0.000 1.417 525 I CB 0.729 38.749 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 0.374 177.695 177.300 0.034 0.000 1.816 526 P CA -0.058 63.058 63.100 0.027 0.000 0.944 526 P CB -0.043 31.668 31.700 0.018 0.000 1.896 527 V N -0.012 119.930 119.914 0.045 0.000 3.564 527 V HA 0.107 4.227 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 1.092 63.426 62.300 0.057 0.000 1.217 527 V CB -1.444 30.426 31.823 0.078 0.000 0.994 527 V HN 0.401 nan 8.190 nan 0.000 0.446 528 A N 0.212 123.054 122.820 0.037 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 52.374 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 -1.401 114.313 115.700 0.023 0.000 2.611 529 S HA 0.464 4.934 4.470 -0.000 0.000 0.268 529 S C -0.199 174.408 174.600 0.013 0.000 1.156 529 S CA -0.914 57.295 58.200 0.015 0.000 0.817 529 S CB 0.786 63.992 63.200 0.009 0.000 1.122 529 S HN 0.276 nan 8.310 nan 0.000 0.466 530 R N 1.072 121.574 120.500 0.004 0.000 2.858 530 R HA 0.096 4.436 4.340 -0.000 0.000 0.228 530 R C 0.901 177.188 176.300 -0.022 0.000 1.471 530 R CA 0.763 56.861 56.100 -0.003 0.000 1.342 530 R CB -0.936 29.358 30.300 -0.009 0.000 1.152 530 R HN 0.816 nan 8.270 nan 0.000 0.521 531 T N -2.471 112.073 114.554 -0.016 0.000 3.278 531 T HA -0.005 4.345 4.350 -0.000 0.000 0.251 531 T C 0.222 174.896 174.700 -0.044 0.000 1.039 531 T CA -0.513 61.567 62.100 -0.034 0.000 0.935 531 T CB -0.087 68.770 68.868 -0.019 0.000 1.034 531 T HN 0.133 nan 8.240 nan 0.000 0.575 532 D N 3.543 123.922 120.400 -0.036 0.000 2.827 532 D HA -0.147 4.493 4.640 -0.000 0.000 0.217 532 D C 0.103 176.414 176.300 0.017 0.000 1.233 532 D CA 1.470 55.459 54.000 -0.018 0.000 0.618 532 D CB -1.193 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 1.431 177.773 176.300 0.070 0.000 1.304 533 D CA 0.308 54.333 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 -0.156 115.574 115.700 0.050 0.000 2.402 534 S HA -0.263 4.207 4.470 -0.000 0.000 0.233 534 S C 1.938 176.567 174.600 0.048 0.000 1.030 534 S CA 0.938 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 2.387 125.232 122.820 0.042 0.000 1.832 535 A HA -0.018 4.302 4.320 -0.000 0.000 0.214 535 A C 2.594 180.201 177.584 0.037 0.000 1.200 535 A CA 2.243 54.294 52.037 0.024 0.000 0.610 535 A CB -1.830 17.188 19.000 0.030 0.000 0.842 535 A HN 0.769 nan 8.150 nan 0.000 0.444 536 T N -2.614 111.985 114.554 0.076 0.000 3.077 536 T HA -0.062 4.288 4.350 -0.000 0.000 0.269 536 T C 1.743 176.531 174.700 0.148 0.000 1.146 536 T CA 1.904 64.065 62.100 0.103 0.000 1.091 536 T CB -0.306 68.646 68.868 0.141 0.000 0.892 536 T HN 0.324 nan 8.240 nan 0.000 0.533 537 S N 0.034 115.836 115.700 0.170 0.000 2.421 537 S HA 0.360 4.830 4.470 -0.000 0.000 0.224 537 S C 2.443 177.067 174.600 0.039 0.000 1.035 537 S CA 0.625 58.968 58.200 0.239 0.000 0.953 537 S CB -0.693 62.681 63.200 0.289 0.000 0.810 537 S HN 0.722 nan 8.310 nan 0.000 0.497 538 A N 1.623 124.452 122.820 0.016 0.000 1.902 538 A HA 0.015 4.335 4.320 -0.000 0.000 0.217 538 A C 2.001 179.544 177.584 -0.068 0.000 1.181 538 A CA 1.444 53.463 52.037 -0.029 0.000 0.623 538 A CB -0.741 18.239 19.000 -0.033 0.000 0.818 538 A HN 0.612 nan 8.150 nan 0.000 0.443 539 I N -0.792 119.738 120.570 -0.067 0.000 2.252 539 I HA -0.183 3.987 4.170 -0.000 0.000 0.245 539 I C 2.327 178.360 176.117 -0.141 0.000 1.102 539 I CA 0.875 62.124 61.300 -0.084 0.000 1.385 539 I CB -0.364 37.603 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 2.674 178.523 176.094 -0.409 0.000 1.060 540 V CA 2.440 64.472 62.300 -0.447 0.000 1.042 540 V CB -0.746 30.455 31.823 -1.036 0.000 0.650 540 V HN 0.636 nan 8.190 nan 0.000 0.450 541 S N -0.300 115.213 115.700 -0.312 0.000 2.423 541 S HA -0.166 4.304 4.470 -0.000 0.000 0.231 541 S C 2.030 176.548 174.600 -0.137 0.000 1.014 541 S CA 0.747 58.816 58.200 -0.219 0.000 0.965 541 S CB -0.323 62.794 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 2.405 178.673 176.300 -0.054 0.000 1.128 542 R CA 0.991 57.050 56.100 -0.069 0.000 0.960 542 R CB -1.298 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 0.525 121.703 121.223 -0.075 0.000 2.043 543 L HA -0.209 4.131 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 1.564 56.379 54.840 -0.041 0.000 0.752 543 L CB -0.837 41.177 42.059 -0.076 0.000 0.891 543 L HN 0.166 nan 8.230 nan 0.000 0.432 544 A N 0.090 122.885 122.820 -0.042 0.000 1.828 544 A HA -0.180 4.140 4.320 -0.000 0.000 0.215 544 A C 2.282 179.916 177.584 0.084 0.000 1.203 544 A CA 1.878 53.944 52.037 0.048 0.000 0.614 544 A CB -1.114 17.859 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 2.444 64.757 62.300 0.023 0.000 1.098 545 V CB -0.710 31.110 31.823 -0.006 0.000 0.674 545 V HN 0.716 nan 8.190 nan 0.000 0.470 546 Q N -0.230 119.594 119.800 0.040 0.000 2.013 546 Q HA -0.185 4.155 4.340 -0.000 0.000 0.195 546 Q C 2.366 178.404 176.000 0.063 0.000 0.974 546 Q CA 1.661 57.487 55.803 0.039 0.000 0.826 546 Q CB -0.547 28.209 28.738 0.030 0.000 0.895 546 Q HN 0.794 nan 8.270 nan 0.000 0.448 547 H N 0.507 119.573 119.070 -0.005 0.000 2.518 547 H HA -0.042 4.514 4.556 -0.000 0.000 0.289 547 H C 1.683 177.011 175.328 -0.001 0.000 1.051 547 H CA 1.159 57.204 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 1.043 121.525 120.400 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 0.832 57.170 56.287 0.087 0.000 0.952 548 K CB -0.098 32.482 32.500 0.133 0.000 0.729 548 K HN 0.435 nan 8.250 nan 0.000 0.446 549 L N -0.411 120.800 121.223 -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 1.657 56.479 54.840 -0.030 0.000 0.820 549 L CB -1.106 40.945 42.059 -0.014 0.000 0.944 549 L HN -0.014 nan 8.230 nan 0.000 0.452 550 S N -1.259 114.384 115.700 -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 -0.149 0.000 0.987 550 S CA 0.861 58.995 58.200 -0.110 0.000 0.936 550 S CB -0.385 62.744 63.200 -0.119 0.000 0.766 550 S HN 0.587 nan 8.310 nan 0.000 0.528 551 Q N 0.920 120.608 119.800 -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 -0.087 0.000 0.921 551 Q CA 0.077 55.778 55.803 -0.170 0.000 0.911 551 Q CB -0.005 28.599 28.738 -0.224 0.000 1.032 551 Q HN 0.427 nan 8.270 nan 0.000 0.510 552 V N 1.109 120.985 119.914 -0.064 0.000 2.763 552 V HA 0.353 4.473 4.120 -0.000 0.000 0.306 552 V C 0.518 176.592 176.094 -0.033 0.000 1.059 552 V CA 0.817 63.096 62.300 -0.036 0.000 1.138 552 V CB 0.316 32.125 31.823 -0.024 0.000 0.940 552 V HN 0.607 nan 8.190 nan 0.000 0.489 553 G N 4.283 113.068 108.800 -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 -0.543 174.342 174.900 -0.024 0.000 0.911 553 G CA 0.564 45.652 45.100 -0.020 0.000 0.797 553 G HN 1.507 nan 8.290 nan 0.000 0.503 554 Q N 0.106 119.894 119.800 -0.019 0.000 3.232 554 Q HA 0.142 4.482 4.340 -0.000 0.000 0.030 554 Q C 1.321 177.310 176.000 -0.020 0.000 1.707 554 Q CA 0.742 56.533 55.803 -0.020 0.000 0.246 554 Q CB -1.030 27.693 28.738 -0.024 0.000 0.635 554 Q HN 2.651 nan 8.270 nan 0.000 0.323 555 A N 2.470 125.281 122.820 -0.015 0.000 2.254 555 A HA -0.294 4.026 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 2.650 54.679 52.037 -0.013 0.000 0.688 555 A CB -1.309 17.684 19.000 -0.011 0.000 0.821 555 A HN 2.205 nan 8.150 nan 0.000 0.498 556 S N -2.699 112.988 115.700 -0.021 0.000 3.425 556 S HA -0.195 4.275 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 0.828 59.014 58.200 -0.024 0.000 1.183 556 S CB -2.143 61.047 63.200 -0.017 0.000 0.908 556 S HN 0.740 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 0.886 63.981 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 -2.657 172.060 174.700 0.028 0.000 1.146 558 T CA -1.546 60.563 62.100 0.014 0.000 1.016 558 T CB 1.229 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 0.193 nan 4.420 nan 0.000 0.271 559 P C -2.370 174.882 177.300 -0.080 0.000 1.226 559 P CA -1.274 61.815 63.100 -0.018 0.000 0.765 559 P CB -0.238 31.440 31.700 -0.036 0.000 0.835 560 P HA -0.131 nan 4.420 nan 0.000 0.267 560 P C 0.395 177.218 177.300 -0.795 0.000 1.175 560 P CA 0.486 63.338 63.100 -0.413 0.000 0.763 560 P CB 0.762 32.205 31.700 -0.430 0.000 0.795 561 D N 1.199 121.162 120.400 -0.728 0.000 2.128 561 D HA -0.075 4.565 4.640 -0.000 0.000 0.213 561 D C 0.764 176.796 176.300 -0.446 0.000 0.983 561 D CA 1.101 54.819 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 -3.312 116.948 120.300 -0.067 0.000 2.742 562 Y HA -0.281 4.269 4.550 -0.000 0.000 0.472 562 Y C -1.530 174.497 175.900 0.211 0.000 1.278 562 Y CA 0.340 58.455 58.100 0.024 0.000 2.518 562 Y CB -1.957 36.565 38.460 0.103 0.000 1.117 562 Y HN 0.185 nan 8.280 nan 0.000 0.573 563 P HA -0.153 nan 4.420 nan 0.000 0.216 563 P C 1.648 179.072 177.300 0.207 0.000 1.150 563 P CA 2.015 65.275 63.100 0.266 0.000 0.837 563 P CB -0.089 31.698 31.700 0.145 0.000 0.786 564 L N -1.683 119.612 121.223 0.119 0.000 2.179 564 L HA -0.019 4.321 4.340 -0.000 0.000 0.208 564 L C 2.074 178.974 176.870 0.051 0.000 1.096 564 L CA 1.098 55.974 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 -1.612 119.636 121.223 0.042 0.000 2.095 565 L HA -0.153 4.187 4.340 -0.000 0.000 0.204 565 L C 2.325 179.178 176.870 -0.029 0.000 1.080 565 L CA 1.523 56.342 54.840 -0.034 0.000 0.759 565 L CB -0.910 41.103 42.059 -0.077 0.000 0.914 565 L HN 0.436 nan 8.230 nan 0.000 0.439 566 W N 0.695 122.025 121.300 0.049 0.000 2.335 566 W HA -0.205 4.455 4.660 -0.000 0.000 0.311 566 W C 2.926 179.457 176.519 0.020 0.000 1.213 566 W CA 1.265 58.626 57.345 0.026 0.000 1.274 566 W CB -0.243 29.231 29.460 0.023 0.000 1.148 566 W HN 0.073 nan 8.180 nan 0.000 0.498 567 R N 0.895 121.550 120.500 0.258 0.000 2.115 567 R HA -0.140 4.200 4.340 -0.000 0.000 0.230 567 R C 2.311 178.672 176.300 0.101 0.000 1.111 567 R CA 1.499 57.691 56.100 0.153 0.000 0.976 567 R CB -0.366 30.002 30.300 0.113 0.000 0.870 567 R HN 0.117 nan 8.270 nan 0.000 0.445 568 R N -0.123 120.421 120.500 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 0.040 0.000 1.110 568 R CA 1.332 57.458 56.100 0.043 0.000 0.973 568 R CB -0.172 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 0.640 123.480 122.820 0.032 0.000 2.067 569 A HA -0.089 4.231 4.320 -0.000 0.000 0.217 569 A C 1.943 179.567 177.584 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 18.808 19.000 -0.042 0.000 0.808 569 A HN 0.252 nan 8.150 nan 0.000 0.455 570 K N 0.946 121.410 120.400 0.106 0.000 2.057 570 K HA -0.142 4.178 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 1.686 58.041 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 1.986 178.330 176.300 0.073 0.000 1.055 571 R CA 0.997 57.137 56.100 0.067 0.000 0.995 571 R CB -0.301 30.032 30.300 0.055 0.000 0.893 571 R HN 0.124 nan 8.270 nan 0.000 0.459 572 A N 1.844 124.705 122.820 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 1.376 53.458 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 -0.915 121.959 122.820 0.091 0.000 1.969 573 A HA -0.072 4.248 4.320 -0.000 0.000 0.218 573 A C 2.464 180.150 177.584 0.169 0.000 1.169 573 A CA 2.141 54.245 52.037 0.112 0.000 0.635 573 A CB -0.816 18.227 19.000 0.072 0.000 0.810 573 A HN 0.552 nan 8.150 nan 0.000 0.445 574 S N -0.959 114.816 115.700 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 1.558 59.822 58.200 0.106 0.000 0.982 574 S CB -0.394 62.851 63.200 0.076 0.000 0.853 574 S HN 0.592 nan 8.310 nan 0.000 0.458 575 M N -0.167 119.494 119.600 0.102 0.000 2.279 575 M HA -0.058 4.422 4.480 -0.000 0.000 0.264 575 M C 1.686 178.037 176.300 0.084 0.000 1.062 575 M CA 1.461 56.808 55.300 0.078 0.000 1.099 575 M CB -0.242 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 0.113 120.075 119.950 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 1.763 59.775 58.000 0.020 0.000 1.193 576 F CB -0.696 38.316 39.000 0.019 0.000 0.996 576 F HN -0.132 nan 8.300 nan 0.000 0.470 577 V N 0.007 119.990 119.914 0.116 0.000 2.370 577 V HA -0.371 3.749 4.120 -0.000 0.000 0.252 577 V C 2.648 178.671 176.094 -0.118 0.000 1.068 577 V CA 2.074 64.372 62.300 -0.003 0.000 1.061 577 V CB -1.295 30.591 31.823 0.104 0.000 0.656 577 V HN 0.573 nan 8.190 nan 0.000 0.455 578 S N 0.300 115.958 115.700 -0.070 0.000 2.380 578 S HA -0.192 4.278 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 1.942 60.104 58.200 -0.064 0.000 1.050 578 S CB -0.311 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 0.734 119.351 118.700 -0.138 0.000 2.851 579 N HA 0.422 5.162 4.740 -0.000 0.000 0.248 579 N C -2.244 173.119 175.510 -0.246 0.000 1.221 579 N CA -2.095 50.869 53.050 -0.144 0.000 0.847 579 N CB 1.470 39.915 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 1.361 178.508 177.300 -0.255 0.000 1.155 580 P CA 1.104 63.818 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 -0.947 114.679 115.700 -0.123 0.000 2.369 581 S HA -0.232 4.238 4.470 -0.000 0.000 0.225 581 S C 1.889 176.497 174.600 0.012 0.000 1.043 581 S CA 1.567 59.751 58.200 -0.026 0.000 1.074 581 S CB -1.236 61.956 63.200 -0.013 0.000 0.962 581 S HN -0.001 nan 8.310 nan 0.000 0.433 582 L N 1.118 122.343 121.223 0.003 0.000 2.166 582 L HA -0.318 4.022 4.340 -0.000 0.000 0.228 582 L C 2.577 179.492 176.870 0.074 0.000 1.101 582 L CA 1.702 56.563 54.840 0.036 0.000 0.821 582 L CB -0.999 41.080 42.059 0.032 0.000 0.908 582 L HN 0.552 nan 8.230 nan 0.000 0.447 583 A N -0.912 121.978 122.820 0.117 0.000 2.292 583 A HA -0.071 4.249 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 1.068 53.197 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 0.527 nan 8.150 nan 0.000 0.492 584 L N -2.005 119.274 121.223 0.093 0.000 2.642 584 L HA 0.101 4.441 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 -0.111 41.998 42.059 0.084 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 -0.408 175.621 176.000 0.049 0.000 0.957 585 Q CA -0.409 55.426 55.803 0.053 0.000 0.919 585 Q CB 2.095 30.859 28.738 0.044 0.000 1.185 585 Q HN -0.031 nan 8.270 nan 0.000 0.408 586 V N 2.409 122.349 119.914 0.043 0.000 2.493 586 V HA 0.256 4.376 4.120 -0.000 0.000 0.292 586 V C 1.210 177.323 176.094 0.031 0.000 1.016 586 V CA 1.144 63.466 62.300 0.037 0.000 1.097 586 V CB 0.130 31.971 31.823 0.031 0.000 0.947 586 V HN 1.107 nan 8.190 nan 0.000 0.479 587 G N 4.917 113.735 108.800 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 -0.680 44.436 45.100 0.027 0.000 0.686 587 G HN 0.459 nan 8.290 nan 0.000 0.503 588 I N 2.166 122.758 120.570 0.037 0.000 2.355 588 I HA 0.340 4.510 4.170 -0.000 0.000 0.288 588 I C -1.819 174.322 176.117 0.041 0.000 0.999 588 I CA -3.084 58.240 61.300 0.041 0.000 1.163 588 I CB 1.296 39.327 38.000 0.052 0.000 1.316 588 I HN -0.040 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 0.491 63.611 63.100 0.033 0.000 0.760 589 P CB 1.153 32.872 31.700 0.031 0.000 0.773 590 V N 2.771 122.703 119.914 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 1.935 64.249 62.300 0.024 0.000 3.223 590 V CB -2.245 29.590 31.823 0.021 0.000 0.459 590 V HN 0.485 nan 8.190 nan 0.000 0.455 591 L N 0.862 122.111 121.223 0.043 0.000 2.195 591 L HA -0.335 4.005 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 2.976 57.852 54.840 0.060 0.000 0.814 591 L CB -0.772 41.352 42.059 0.107 0.000 0.901 591 L HN 0.989 nan 8.230 nan 0.000 0.446 592 T N -4.092 110.493 114.554 0.051 0.000 3.144 592 T HA 0.084 4.434 4.350 -0.000 0.000 0.249 592 T C 0.679 175.399 174.700 0.035 0.000 1.089 592 T CA -0.211 61.919 62.100 0.049 0.000 0.989 592 T CB 0.027 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 1.553 121.368 119.800 0.024 0.000 2.299 593 Q HA 0.342 4.682 4.340 -0.000 0.000 0.246 593 Q C 1.461 177.469 176.000 0.013 0.000 0.935 593 Q CA -0.102 55.712 55.803 0.017 0.000 0.887 593 Q CB 1.419 30.163 28.738 0.011 0.000 1.223 593 Q HN 0.490 nan 8.270 nan 0.000 0.439 594 S N 1.316 117.024 115.700 0.013 0.000 2.392 594 S HA -0.242 4.228 4.470 -0.000 0.000 0.232 594 S C 1.657 176.257 174.600 0.000 0.000 1.041 594 S CA 1.253 59.459 58.200 0.011 0.000 1.026 594 S CB -0.762 62.445 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 -0.041 3.919 3.960 -0.000 0.000 0.216 595 G HA3 -0.041 3.919 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 1.079 46.168 45.100 -0.017 0.000 0.804 595 G HN 0.433 nan 8.290 nan 0.000 0.579 596 M N -0.021 119.558 119.600 -0.036 0.000 2.185 596 M HA 0.138 4.618 4.480 -0.000 0.000 0.308 596 M C 1.349 177.603 176.300 -0.078 0.000 0.967 596 M CA 0.778 56.041 55.300 -0.060 0.000 1.027 596 M CB -0.161 32.409 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 -0.144 0.000 3.467 597 L HA -0.457 3.883 4.340 -0.000 0.000 0.185 597 L C 1.701 178.500 176.870 -0.118 0.000 4.356 597 L CA 1.467 56.195 54.840 -0.185 0.000 0.777 597 L CB -1.909 40.078 42.059 -0.121 0.000 3.491 597 L HN 0.815 nan 8.230 nan 0.000 0.841 598 S N -0.722 114.940 115.700 -0.063 0.000 2.383 598 S HA -0.133 4.337 4.470 -0.000 0.000 0.229 598 S C 1.642 176.210 174.600 -0.053 0.000 1.030 598 S CA 2.146 60.321 58.200 -0.042 0.000 1.002 598 S CB -0.105 63.082 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 0.124 4.444 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 1.372 53.370 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 0.554 121.705 121.223 -0.120 0.000 1.980 600 L HA -0.310 4.030 4.340 -0.000 0.000 0.232 600 L C 2.681 179.474 176.870 -0.129 0.000 1.092 600 L CA 4.071 58.820 54.840 -0.151 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 2.565 601 T HA -0.338 4.012 4.350 -0.000 0.000 0.265 601 T C 2.008 176.668 174.700 -0.065 0.000 1.082 601 T CA 2.840 64.877 62.100 -0.104 0.000 1.173 601 T CB -1.729 67.084 68.868 -0.092 0.000 0.864 601 T HN 0.730 nan 8.240 nan 0.000 0.425 602 S N 1.619 117.287 115.700 -0.054 0.000 2.462 602 S HA 0.026 4.496 4.470 -0.000 0.000 0.243 602 S C 2.116 176.698 174.600 -0.032 0.000 1.003 602 S CA 1.202 59.380 58.200 -0.037 0.000 0.970 602 S CB -1.376 61.805 63.200 -0.032 0.000 0.762 602 S HN 0.870 nan 8.310 nan 0.000 0.510 603 G N 1.340 110.118 108.800 -0.037 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 1.347 176.235 174.900 -0.019 0.000 1.226 603 G CA 0.552 45.637 45.100 -0.025 0.000 0.822 603 G HN 0.443 nan 8.290 nan 0.000 0.546 604 V N 2.207 122.105 119.914 -0.026 0.000 2.418 604 V HA -0.230 3.890 4.120 -0.000 0.000 0.258 604 V C 3.010 179.096 176.094 -0.013 0.000 1.088 604 V CA 2.138 64.428 62.300 -0.017 0.000 1.091 604 V CB -1.309 30.499 31.823 -0.024 0.000 0.669 604 V HN 0.472 nan 8.190 nan 0.000 0.461 605 G N 0.361 109.148 108.800 -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 2.078 47.167 45.100 -0.017 0.000 0.811 605 G HN 0.579 nan 8.290 nan 0.000 0.594 606 T N -0.170 114.378 114.554 -0.011 0.000 2.822 606 T HA 0.037 4.387 4.350 -0.000 0.000 0.270 606 T C 2.459 177.157 174.700 -0.003 0.000 1.064 606 T CA 2.124 64.220 62.100 -0.007 0.000 1.131 606 T CB -0.431 68.434 68.868 -0.006 0.000 0.858 606 T HN 0.508 nan 8.240 nan 0.000 0.483 607 A N 1.701 124.520 122.820 -0.002 0.000 1.908 607 A HA 0.130 4.450 4.320 -0.000 0.000 0.218 607 A C 2.514 180.100 177.584 0.003 0.000 1.181 607 A CA 1.570 53.609 52.037 0.003 0.000 0.627 607 A CB -0.794 18.209 19.000 0.006 0.000 0.818 607 A HN 0.603 nan 8.150 nan 0.000 0.445 608 L N -1.554 119.670 121.223 0.001 0.000 2.156 608 L HA -0.033 4.307 4.340 -0.000 0.000 0.208 608 L C 1.835 178.705 176.870 0.000 0.000 1.095 608 L CA 0.723 55.565 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 0.338 120.837 120.500 -0.002 0.000 3.907 609 R HA 0.018 4.358 4.340 -0.000 0.000 0.241 609 R C 0.263 176.561 176.300 -0.003 0.000 1.784 609 R CA 0.668 56.766 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 -7.735 106.819 114.554 -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 -0.033 68.835 68.868 -0.000 0.000 1.215 610 T HN 0.238 nan 8.240 nan 0.000 0.815 611 G N 1.725 110.527 108.800 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 1.032 175.935 174.900 0.005 0.000 1.088 611 G CA 1.572 46.675 45.100 0.005 0.000 0.734 611 G HN 0.944 nan 8.290 nan 0.000 0.616 612 S N -2.708 112.994 115.700 0.004 0.000 4.158 612 S HA -0.225 4.245 4.470 -0.000 0.000 0.615 612 S C 0.893 175.497 174.600 0.007 0.000 1.866 612 S CA 1.394 59.597 58.200 0.005 0.000 4.249 612 S CB -1.353 61.851 63.200 0.006 0.000 0.202 612 S HN 1.007 nan 8.310 nan 0.000 0.455 613 L N -1.246 119.984 121.223 0.013 0.000 1.967 613 L HA 0.401 4.741 4.340 -0.000 0.000 0.222 613 L C 1.101 177.986 176.870 0.024 0.000 1.189 613 L CA 0.989 55.840 54.840 0.018 0.000 1.303 613 L CB -0.473 41.600 42.059 0.023 0.000 2.607 613 L HN 0.588 nan 8.230 nan 0.000 0.524 614 G N 0.462 109.276 108.800 0.023 0.000 3.530 614 G HA2 0.012 3.972 3.960 -0.000 0.000 0.269 614 G HA3 0.012 3.972 3.960 -0.000 0.000 0.269 614 G C 0.930 175.840 174.900 0.016 0.000 1.314 614 G CA 0.167 45.280 45.100 0.023 0.000 1.441 614 G HN 0.181 nan 8.290 nan 0.000 0.595 615 K N 0.332 120.741 120.400 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 0.960 57.254 56.287 0.012 0.000 0.948 615 K CB -0.225 32.283 32.500 0.012 0.000 0.742 615 K HN 0.267 nan 8.250 nan 0.000 0.458 616 G N 0.864 109.673 108.800 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 1.181 176.088 174.900 0.012 0.000 1.141 616 G CA 0.253 45.361 45.100 0.015 0.000 0.788 616 G HN 0.245 nan 8.290 nan 0.000 0.531 617 V N 1.105 121.025 119.914 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 1.270 63.573 62.300 0.006 0.000 1.121 617 V CB -0.632 31.193 31.823 0.004 0.000 0.714 617 V HN 0.270 nan 8.190 nan 0.000 0.487 618 T N 2.266 116.823 114.554 0.004 0.000 2.784 618 T HA 0.067 4.417 4.350 -0.000 0.000 0.291 618 T C 0.417 175.119 174.700 0.004 0.000 0.942 618 T CA 0.491 62.592 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 0.618 nan 8.240 nan 0.000 0.534 619 D N 1.445 121.846 120.400 0.001 0.000 2.811 619 D HA -0.219 4.421 4.640 -0.000 0.000 0.231 619 D C 0.958 177.260 176.300 0.004 0.000 1.157 619 D CA 0.838 54.839 54.000 0.002 0.000 0.716 619 D CB -0.993 39.809 40.800 0.004 0.000 1.077 619 D HN 0.757 nan 8.370 nan 0.000 0.428 620 A N -0.243 122.579 122.820 0.004 0.000 2.259 620 A HA 0.106 4.426 4.320 -0.000 0.000 0.208 620 A C 2.128 179.714 177.584 0.004 0.000 1.201 620 A CA 1.310 53.350 52.037 0.005 0.000 0.824 620 A CB 0.246 19.249 19.000 0.006 0.000 0.838 620 A HN 0.286 nan 8.150 nan 0.000 0.485 621 S N -0.115 115.586 115.700 0.002 0.000 2.355 621 S HA -0.063 4.407 4.470 -0.000 0.000 0.216 621 S C 1.724 176.325 174.600 0.002 0.000 1.037 621 S CA 1.062 59.263 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 0.924 121.126 120.200 0.002 0.000 2.150 622 E HA -0.083 4.267 4.350 -0.000 0.000 0.193 622 E C 2.096 178.698 176.600 0.004 0.000 0.985 622 E CA 0.644 57.046 56.400 0.003 0.000 0.814 622 E CB -0.076 29.625 29.700 0.003 0.000 0.752 622 E HN 0.440 nan 8.360 nan 0.000 0.466 623 K N 1.152 121.555 120.400 0.005 0.000 2.057 623 K HA -0.120 4.200 4.320 -0.000 0.000 0.207 623 K C 2.208 178.812 176.600 0.007 0.000 1.049 623 K CA 0.699 56.990 56.287 0.006 0.000 0.931 623 K CB -0.024 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 0.899 122.126 121.223 0.006 0.000 2.005 624 L HA -0.162 4.178 4.340 -0.000 0.000 0.207 624 L C 2.671 179.544 176.870 0.006 0.000 1.072 624 L CA 1.227 56.071 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 0.227 nan 8.230 nan 0.000 0.433 625 R N 0.458 120.961 120.500 0.005 0.000 2.159 625 R HA -0.166 4.174 4.340 -0.000 0.000 0.237 625 R C 1.833 178.136 176.300 0.005 0.000 1.131 625 R CA 1.483 57.586 56.100 0.005 0.000 0.982 625 R CB -0.351 29.951 30.300 0.004 0.000 0.868 625 R HN 0.538 nan 8.270 nan 0.000 0.453 626 A N 0.490 123.313 122.820 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 0.528 52.568 52.037 0.004 0.000 0.645 626 A CB -0.233 18.769 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 2.284 178.591 176.300 0.011 0.000 1.119 627 R CA 1.518 57.623 56.100 0.010 0.000 0.970 627 R CB -0.247 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 -0.234 119.573 119.800 0.011 0.000 2.167 628 Q HA -0.108 4.232 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 1.521 57.332 55.803 0.012 0.000 0.855 628 Q CB 0.000 28.745 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 1.786 176.385 174.600 -0.001 0.000 1.027 629 S CA 0.867 59.068 58.200 0.003 0.000 0.991 629 S CB -0.071 63.130 63.200 0.001 0.000 0.823 629 S HN 0.328 nan 8.310 nan 0.000 0.469 630 L N 0.370 121.592 121.223 -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 1.621 56.455 54.840 -0.009 0.000 0.752 630 L CB -1.012 41.043 42.059 -0.007 0.000 0.906 630 L HN 0.368 nan 8.230 nan 0.000 0.436 631 T N -0.876 113.681 114.554 0.005 0.000 2.881 631 T HA -0.118 4.232 4.350 -0.000 0.000 0.270 631 T C 1.801 176.510 174.700 0.015 0.000 1.068 631 T CA 0.940 63.050 62.100 0.017 0.000 1.131 631 T CB 0.025 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 1.095 121.016 119.914 0.011 0.000 2.453 632 V HA 0.050 4.170 4.120 -0.000 0.000 0.247 632 V C 2.858 178.954 176.094 0.004 0.000 1.048 632 V CA 1.594 63.903 62.300 0.014 0.000 1.049 632 V CB -0.868 30.962 31.823 0.012 0.000 0.672 632 V HN 0.603 nan 8.190 nan 0.000 0.457 633 A N -0.380 122.435 122.820 -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 0.503 nan 8.150 nan 0.000 0.447 634 K N -0.553 119.805 120.400 -0.069 0.000 2.217 634 K HA -0.171 4.149 4.320 -0.000 0.000 0.202 634 K C 2.116 178.567 176.600 -0.249 0.000 1.051 634 K CA 1.433 57.620 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 0.369 nan 8.250 nan 0.000 0.453 635 Q N 0.879 120.635 119.800 -0.074 0.000 2.119 635 Q HA -0.031 4.309 4.340 -0.000 0.000 0.201 635 Q C 1.683 177.704 176.000 0.034 0.000 0.972 635 Q CA 1.841 57.670 55.803 0.044 0.000 0.847 635 Q CB -0.360 28.432 28.738 0.089 0.000 0.903 635 Q HN 0.367 nan 8.270 nan 0.000 0.433 636 A N -0.121 122.709 122.820 0.017 0.000 1.933 636 A HA -0.135 4.185 4.320 -0.000 0.000 0.218 636 A C 2.050 179.673 177.584 0.065 0.000 1.175 636 A CA 1.341 53.401 52.037 0.037 0.000 0.628 636 A CB -1.020 17.999 19.000 0.031 0.000 0.814 636 A HN 0.624 nan 8.150 nan 0.000 0.444 637 F N -0.444 119.421 119.950 -0.142 0.000 2.039 637 F HA -0.165 4.362 4.527 -0.000 0.000 0.294 637 F C 1.926 177.689 175.800 -0.062 0.000 1.130 637 F CA 1.702 59.608 58.000 -0.156 0.000 1.189 637 F CB -0.275 38.547 39.000 -0.297 0.000 0.983 637 F HN 0.198 nan 8.300 nan 0.000 0.471 638 F N 1.654 121.360 119.950 -0.406 0.000 2.184 638 F HA -0.263 4.264 4.527 -0.000 0.000 0.301 638 F C 2.308 177.921 175.800 -0.312 0.000 1.076 638 F CA 1.369 59.061 58.000 -0.513 0.000 1.295 638 F CB -1.356 37.508 39.000 -0.226 0.000 1.026 638 F HN 0.165 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 2.131 178.420 176.300 -0.019 0.000 0.974 639 D CA 1.062 55.069 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 0.442 nan 8.370 nan 0.000 0.478 640 Q N -0.046 119.731 119.800 -0.039 0.000 2.123 640 Q HA 0.013 4.353 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 0.283 56.084 55.803 -0.003 0.000 0.841 640 Q CB 0.327 29.102 28.738 0.062 0.000 0.915 640 Q HN 0.195 nan 8.270 nan 0.000 0.455 641 I N 0.966 121.426 120.570 -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 1.748 62.902 61.300 -0.242 0.000 1.392 641 I CB -1.243 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 0.050 108.808 108.800 -0.069 0.000 2.484 642 G HA2 -0.157 3.803 3.960 -0.000 0.000 0.218 642 G HA3 -0.157 3.803 3.960 -0.000 0.000 0.218 642 G C 1.718 176.629 174.900 0.018 0.000 1.130 642 G CA 1.007 46.094 45.100 -0.021 0.000 0.784 642 G HN 0.550 nan 8.290 nan 0.000 0.543 643 S N 0.229 115.940 115.700 0.019 0.000 2.541 643 S HA 0.155 4.625 4.470 -0.000 0.000 0.219 643 S C 2.233 176.826 174.600 -0.012 0.000 1.025 643 S CA 0.283 58.486 58.200 0.004 0.000 0.917 643 S CB -0.575 62.618 63.200 -0.012 0.000 0.859 643 S HN 0.152 nan 8.310 nan 0.000 0.584 644 L N -0.152 121.041 121.223 -0.049 0.000 1.991 644 L HA -0.112 4.228 4.340 -0.000 0.000 0.221 644 L C 1.064 177.771 176.870 -0.273 0.000 1.079 644 L CA 1.483 56.175 54.840 -0.247 0.000 0.778 644 L CB -0.743 41.053 42.059 -0.438 0.000 0.893 644 L HN 0.469 nan 8.230 nan 0.000 0.437 645 W N 1.811 123.116 121.300 0.008 0.000 2.175 645 W HA 0.274 4.934 4.660 -0.000 0.000 0.350 645 W C -1.971 174.540 176.519 -0.014 0.000 0.877 645 W CA -1.867 55.494 57.345 0.026 0.000 1.544 645 W CB -0.271 29.250 29.460 0.101 0.000 1.585 645 W HN 0.049 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