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_D 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 0.000 177.460 177.300 0.267 0.000 1.155 43 P CA 0.000 63.132 63.100 0.054 0.000 0.800 43 P CB 0.000 31.550 31.700 -0.250 0.000 0.726 44 T N -1.599 113.103 114.554 0.246 0.000 2.700 44 T HA 0.673 5.023 4.350 -0.000 0.000 0.307 44 T C -0.358 174.504 174.700 0.271 0.000 1.580 44 T CA 0.343 62.626 62.100 0.303 0.000 0.992 44 T CB 1.457 70.421 68.868 0.161 0.000 1.577 44 T HN 1.311 nan 8.240 nan 0.000 0.496 45 G N 1.325 110.290 108.800 0.275 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 -1.036 174.123 174.900 0.431 0.000 1.357 45 G CA -0.657 44.622 45.100 0.300 0.000 0.866 45 G HN 0.818 nan 8.290 nan 0.000 0.548 46 K N -0.283 120.423 120.400 0.511 0.000 2.202 46 K HA 0.501 4.821 4.320 -0.000 0.000 0.264 46 K C 0.517 177.551 176.600 0.724 0.000 1.010 46 K CA -0.380 56.224 56.287 0.528 0.000 0.940 46 K CB 1.567 34.264 32.500 0.328 0.000 0.983 46 K HN 0.916 nan 8.250 nan 0.000 0.475 47 L N 0.523 122.067 121.223 0.535 0.000 2.350 47 L HA 0.455 4.795 4.340 -0.000 0.000 0.275 47 L C -1.520 175.594 176.870 0.407 0.000 1.099 47 L CA -0.194 54.937 54.840 0.485 0.000 0.808 47 L CB 0.430 42.439 42.059 -0.084 0.000 1.149 47 L HN 0.448 nan 8.230 nan 0.000 0.442 48 W N 3.979 125.323 121.300 0.073 0.000 2.785 48 W HA 0.716 5.376 4.660 -0.000 0.000 0.333 48 W C -0.507 176.067 176.519 0.092 0.000 1.062 48 W CA -0.738 56.655 57.345 0.080 0.000 1.233 48 W CB 1.296 30.816 29.460 0.100 0.000 1.413 48 W HN 0.436 nan 8.180 nan 0.000 0.489 49 R N 2.855 123.502 120.500 0.245 0.000 2.750 49 R HA 0.526 4.866 4.340 -0.000 0.000 0.281 49 R C -2.459 173.944 176.300 0.172 0.000 0.972 49 R CA -1.944 54.261 56.100 0.175 0.000 0.912 49 R CB 2.321 32.650 30.300 0.050 0.000 1.187 49 R HN 0.096 nan 8.270 nan 0.000 0.464 50 P HA 0.013 nan 4.420 nan 0.000 0.275 50 P C 0.587 177.934 177.300 0.078 0.000 1.228 50 P CA -0.184 62.990 63.100 0.123 0.000 0.786 50 P CB 1.031 32.797 31.700 0.109 0.000 0.927 51 V N 3.245 123.199 119.914 0.066 0.000 2.270 51 V HA -0.143 3.977 4.120 -0.000 0.000 0.245 51 V C 2.722 178.835 176.094 0.030 0.000 1.043 51 V CA 2.743 65.068 62.300 0.042 0.000 1.014 51 V CB -1.731 30.115 31.823 0.039 0.000 0.645 51 V HN 0.773 nan 8.190 nan 0.000 0.447 52 G N -1.852 106.967 108.800 0.031 0.000 2.408 52 G HA2 0.075 4.035 3.960 -0.000 0.000 0.217 52 G HA3 0.075 4.035 3.960 -0.000 0.000 0.217 52 G C 0.587 175.501 174.900 0.023 0.000 1.150 52 G CA 1.534 46.648 45.100 0.023 0.000 0.776 52 G HN 0.577 nan 8.290 nan 0.000 0.542 53 T N -2.572 112.000 114.554 0.030 0.000 2.573 53 T HA 0.175 4.525 4.350 -0.000 0.000 0.140 53 T C 0.610 175.329 174.700 0.030 0.000 1.981 53 T CA 0.831 62.949 62.100 0.029 0.000 1.055 53 T CB -1.310 67.570 68.868 0.019 0.000 2.532 53 T HN 2.018 nan 8.240 nan 0.000 0.271 54 S N -1.869 113.847 115.700 0.028 0.000 3.961 54 S HA -0.222 4.248 4.470 -0.000 0.000 0.627 54 S C 0.551 175.176 174.600 0.042 0.000 2.148 54 S CA 0.931 59.148 58.200 0.028 0.000 4.099 54 S CB -1.613 61.600 63.200 0.022 0.000 0.219 54 S HN 2.311 nan 8.310 nan 0.000 0.744 55 V N 2.541 122.477 119.914 0.037 0.000 2.924 55 V HA 0.582 4.702 4.120 -0.000 0.000 0.305 55 V C 0.706 176.827 176.094 0.046 0.000 1.073 55 V CA 0.175 62.502 62.300 0.044 0.000 1.098 55 V CB 0.712 32.550 31.823 0.025 0.000 1.000 55 V HN 1.888 nan 8.190 nan 0.000 0.484 56 A N 4.911 127.761 122.820 0.051 0.000 2.253 56 A HA 0.706 5.026 4.320 -0.000 0.000 0.316 56 A C 0.066 177.628 177.584 -0.037 0.000 1.327 56 A CA -0.351 51.705 52.037 0.032 0.000 0.917 56 A CB 0.400 19.450 19.000 0.083 0.000 1.162 56 A HN 0.910 nan 8.150 nan 0.000 0.535 57 T N 2.682 117.225 114.554 -0.019 0.000 2.888 57 T HA 0.476 4.826 4.350 -0.000 0.000 0.284 57 T C 0.167 174.852 174.700 -0.026 0.000 1.017 57 T CA -0.321 61.758 62.100 -0.035 0.000 1.022 57 T CB 0.801 69.658 68.868 -0.018 0.000 1.013 57 T HN 0.411 nan 8.240 nan 0.000 0.465 58 I N 3.405 123.949 120.570 -0.043 0.000 2.826 58 I HA 0.071 4.241 4.170 -0.000 0.000 0.295 58 I C 1.383 177.502 176.117 0.003 0.000 1.213 58 I CA 1.024 62.307 61.300 -0.029 0.000 1.436 58 I CB -0.306 37.666 38.000 -0.047 0.000 1.348 58 I HN 0.799 nan 8.210 nan 0.000 0.570 59 D N 2.526 122.946 120.400 0.033 0.000 2.505 59 D HA -0.215 4.425 4.640 -0.000 0.000 0.175 59 D C 1.270 177.602 176.300 0.053 0.000 0.932 59 D CA 1.465 55.493 54.000 0.047 0.000 1.006 59 D CB -1.194 39.622 40.800 0.027 0.000 1.060 59 D HN 0.528 nan 8.370 nan 0.000 0.471 60 S N -0.857 114.872 115.700 0.049 0.000 2.540 60 S HA 0.382 4.852 4.470 -0.000 0.000 0.218 60 S C 0.512 175.163 174.600 0.085 0.000 0.977 60 S CA -0.294 57.938 58.200 0.053 0.000 0.918 60 S CB 0.167 63.387 63.200 0.034 0.000 0.806 60 S HN 0.276 nan 8.310 nan 0.000 0.496 61 L N 1.994 123.290 121.223 0.121 0.000 2.333 61 L HA 0.814 5.154 4.340 -0.000 0.000 0.280 61 L C -0.282 176.775 176.870 0.311 0.000 1.004 61 L CA -0.580 54.387 54.840 0.211 0.000 0.820 61 L CB 1.811 43.996 42.059 0.210 0.000 1.247 61 L HN 0.145 nan 8.230 nan 0.000 0.416 62 A N 3.510 126.486 122.820 0.261 0.000 2.469 62 A HA 0.782 5.102 4.320 -0.000 0.000 0.299 62 A C -0.466 177.028 177.584 -0.150 0.000 1.098 62 A CA -0.731 51.378 52.037 0.120 0.000 0.737 62 A CB 1.345 20.357 19.000 0.020 0.000 1.312 62 A HN 0.531 nan 8.150 nan 0.000 0.414 63 I N 0.446 120.559 120.570 -0.762 0.000 2.710 63 I HA 0.103 4.273 4.170 -0.000 0.000 0.286 63 I C 0.832 176.706 176.117 -0.405 0.000 1.181 63 I CA -0.028 60.631 61.300 -1.067 0.000 1.430 63 I CB 0.212 37.534 38.000 -1.131 0.000 1.367 63 I HN 0.328 nan 8.210 nan 0.000 0.577 64 V N 6.050 125.810 119.914 -0.256 0.000 1.973 64 V HA 0.045 4.165 4.120 -0.000 0.000 0.255 64 V C 1.049 177.138 176.094 -0.008 0.000 1.605 64 V CA 0.052 62.303 62.300 -0.081 0.000 1.542 64 V CB -0.448 31.349 31.823 -0.043 0.000 1.504 64 V HN 0.919 nan 8.190 nan 0.000 0.505 65 S N 3.593 119.253 115.700 -0.067 0.000 2.558 65 S HA 0.139 4.609 4.470 -0.000 0.000 0.288 65 S C -0.228 174.398 174.600 0.043 0.000 1.318 65 S CA 0.032 58.211 58.200 -0.035 0.000 1.056 65 S CB 0.615 63.772 63.200 -0.071 0.000 0.853 65 S HN 0.935 nan 8.310 nan 0.000 0.505 66 D N 0.942 121.390 120.400 0.081 0.000 2.523 66 D HA 0.339 4.979 4.640 -0.000 0.000 0.236 66 D C 1.191 177.532 176.300 0.068 0.000 1.094 66 D CA -0.853 53.239 54.000 0.153 0.000 0.942 66 D CB 1.225 42.261 40.800 0.393 0.000 1.447 66 D HN 0.621 nan 8.370 nan 0.000 0.479 67 R N 0.731 121.246 120.500 0.025 0.000 2.091 67 R HA -0.105 4.235 4.340 -0.000 0.000 0.238 67 R C 1.731 177.928 176.300 -0.172 0.000 1.136 67 R CA 1.430 57.450 56.100 -0.133 0.000 0.959 67 R CB -0.763 29.374 30.300 -0.272 0.000 0.856 67 R HN 0.323 nan 8.270 nan 0.000 0.437 68 F N 1.183 121.119 119.950 -0.023 0.000 2.134 68 F HA 0.102 4.629 4.527 -0.000 0.000 0.299 68 F C 1.624 177.356 175.800 -0.114 0.000 1.097 68 F CA 1.528 59.496 58.000 -0.053 0.000 1.264 68 F CB -0.282 38.695 39.000 -0.037 0.000 1.001 68 F HN 0.487 nan 8.300 nan 0.000 0.479 69 G N -1.052 107.754 108.800 0.010 0.000 2.359 69 G HA2 0.134 4.094 3.960 -0.000 0.000 0.293 69 G HA3 0.134 4.094 3.960 -0.000 0.000 0.293 69 G C -1.659 173.093 174.900 -0.248 0.000 1.300 69 G CA -1.134 43.904 45.100 -0.104 0.000 0.888 69 G HN -0.062 nan 8.290 nan 0.000 0.541 70 Q N -0.123 119.557 119.800 -0.200 0.000 2.279 70 Q HA 0.429 4.769 4.340 -0.000 0.000 0.256 70 Q C -0.921 174.938 176.000 -0.236 0.000 0.937 70 Q CA -0.299 55.391 55.803 -0.189 0.000 0.933 70 Q CB 1.142 29.816 28.738 -0.108 0.000 1.189 70 Q HN 0.475 nan 8.270 nan 0.000 0.417 71 Y N 1.352 121.673 120.300 0.035 0.000 2.605 71 Y HA 0.014 4.564 4.550 -0.000 0.000 0.336 71 Y C 0.773 176.832 175.900 0.266 0.000 1.111 71 Y CA -0.132 58.041 58.100 0.122 0.000 1.422 71 Y CB 0.415 38.862 38.460 -0.020 0.000 1.193 71 Y HN 0.429 nan 8.280 nan 0.000 0.526 72 S N 4.442 120.378 115.700 0.393 0.000 2.475 72 S HA 0.470 4.940 4.470 -0.000 0.000 0.298 72 S C -0.701 174.229 174.600 0.549 0.000 1.119 72 S CA -0.947 57.513 58.200 0.434 0.000 1.085 72 S CB 0.775 64.126 63.200 0.253 0.000 1.028 72 S HN 0.448 nan 8.310 nan 0.000 0.489 73 F N 3.256 123.416 119.950 0.350 0.000 2.563 73 F HA 0.371 4.898 4.527 -0.000 0.000 0.363 73 F C -0.078 175.661 175.800 -0.101 0.000 1.123 73 F CA -0.685 57.240 58.000 -0.124 0.000 1.307 73 F CB 0.622 39.530 39.000 -0.154 0.000 1.115 73 F HN 0.434 nan 8.300 nan 0.000 0.592 74 V N 6.869 126.173 119.914 -1.018 0.000 2.204 74 V HA 0.103 4.223 4.120 -0.000 0.000 0.264 74 V C -0.391 174.987 176.094 -1.194 0.000 1.106 74 V CA -0.883 60.949 62.300 -0.779 0.000 0.947 74 V CB -0.531 31.076 31.823 -0.360 0.000 1.164 74 V HN 0.829 nan 8.190 nan 0.000 0.461 75 N N 1.914 119.921 118.700 -1.155 0.000 2.329 75 N HA -0.083 4.657 4.740 -0.000 0.000 0.237 75 N C 1.142 176.409 175.510 -0.406 0.000 1.258 75 N CA -0.064 52.562 53.050 -0.705 0.000 0.866 75 N CB 0.731 39.079 38.487 -0.231 0.000 1.102 75 N HN 0.322 nan 8.380 nan 0.000 0.440 76 E N 1.315 121.377 120.200 -0.230 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 -0.167 0.000 1.040 76 E CA 2.117 58.422 56.400 -0.158 0.000 0.847 76 E CB -1.011 28.640 29.700 -0.082 0.000 0.755 76 E HN 0.861 nan 8.360 nan 0.000 0.459 77 G N 0.585 109.290 108.800 -0.157 0.000 2.422 77 G HA2 -0.235 3.725 3.960 -0.000 0.000 0.218 77 G HA3 -0.235 3.725 3.960 -0.000 0.000 0.218 77 G C 1.574 176.337 174.900 -0.229 0.000 1.140 77 G CA 0.820 45.824 45.100 -0.159 0.000 0.775 77 G HN 0.295 nan 8.290 nan 0.000 0.545 78 M N 0.828 120.252 119.600 -0.292 0.000 2.549 78 M HA 0.067 4.547 4.480 -0.000 0.000 0.260 78 M C 2.354 178.308 176.300 -0.577 0.000 1.076 78 M CA 0.906 55.933 55.300 -0.454 0.000 1.090 78 M CB -0.122 32.230 32.600 -0.415 0.000 1.418 78 M HN 0.362 nan 8.290 nan 0.000 0.486 79 R N -0.440 119.852 120.500 -0.347 0.000 2.210 79 R HA -0.076 4.264 4.340 -0.000 0.000 0.203 79 R C 1.360 177.563 176.300 -0.162 0.000 1.010 79 R CA 0.941 56.907 56.100 -0.223 0.000 1.008 79 R CB -0.011 30.206 30.300 -0.139 0.000 0.923 79 R HN 0.180 nan 8.270 nan 0.000 0.469 80 E N 0.460 120.551 120.200 -0.180 0.000 2.110 80 E HA -0.087 4.263 4.350 -0.000 0.000 0.193 80 E C 1.544 178.082 176.600 -0.102 0.000 0.988 80 E CA 2.050 58.377 56.400 -0.122 0.000 0.804 80 E CB -0.147 29.481 29.700 -0.121 0.000 0.745 80 E HN 0.337 nan 8.360 nan 0.000 0.458 81 T N -0.044 114.395 114.554 -0.192 0.000 2.639 81 T HA -0.084 4.266 4.350 -0.000 0.000 0.261 81 T C 1.705 176.446 174.700 0.069 0.000 1.053 81 T CA 1.283 63.310 62.100 -0.121 0.000 1.158 81 T CB -0.681 68.030 68.868 -0.261 0.000 0.863 81 T HN 0.205 nan 8.240 nan 0.000 0.413 82 F N 1.185 121.131 119.950 -0.006 0.000 2.307 82 F HA -0.105 4.422 4.527 -0.000 0.000 0.301 82 F C 2.910 178.736 175.800 0.043 0.000 1.076 82 F CA 0.187 58.190 58.000 0.005 0.000 1.383 82 F CB -0.242 38.749 39.000 -0.015 0.000 1.055 82 F HN 0.187 nan 8.300 nan 0.000 0.526 83 S N 0.017 115.835 115.700 0.197 0.000 2.388 83 S HA -0.095 4.375 4.470 -0.000 0.000 0.223 83 S C 1.986 176.700 174.600 0.190 0.000 1.034 83 S CA 0.609 58.907 58.200 0.162 0.000 0.963 83 S CB -0.055 63.191 63.200 0.076 0.000 0.827 83 S HN 0.240 nan 8.310 nan 0.000 0.481 84 K N 0.543 121.028 120.400 0.142 0.000 2.211 84 K HA 0.038 4.358 4.320 -0.000 0.000 0.203 84 K C 2.004 178.746 176.600 0.237 0.000 1.050 84 K CA 0.957 57.346 56.287 0.171 0.000 0.945 84 K CB -0.210 32.342 32.500 0.085 0.000 0.732 84 K HN 0.374 nan 8.250 nan 0.000 0.451 85 A N 0.854 123.800 122.820 0.210 0.000 1.874 85 A HA -0.050 4.270 4.320 -0.000 0.000 0.214 85 A C 1.979 179.674 177.584 0.186 0.000 1.189 85 A CA 0.831 52.981 52.037 0.188 0.000 0.615 85 A CB -0.438 18.669 19.000 0.178 0.000 0.830 85 A HN 0.202 nan 8.150 nan 0.000 0.443 86 L N -1.767 119.574 121.223 0.197 0.000 2.093 86 L HA -0.123 4.217 4.340 -0.000 0.000 0.208 86 L C 2.472 179.462 176.870 0.200 0.000 1.085 86 L CA 1.356 56.305 54.840 0.182 0.000 0.755 86 L CB -0.562 41.610 42.059 0.189 0.000 0.904 86 L HN 0.501 nan 8.230 nan 0.000 0.435 87 F N 1.666 121.680 119.950 0.106 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 0.112 0.000 1.096 87 F CA 2.042 60.095 58.000 0.087 0.000 1.255 87 F CB -0.286 38.748 39.000 0.055 0.000 0.997 87 F HN 0.121 nan 8.300 nan 0.000 0.479 88 D N -0.215 120.213 120.400 0.046 0.000 2.350 88 D HA -0.117 4.523 4.640 -0.000 0.000 0.216 88 D C 1.984 178.371 176.300 0.145 0.000 0.968 88 D CA 1.168 55.177 54.000 0.015 0.000 0.894 88 D CB -0.164 40.735 40.800 0.165 0.000 0.909 88 D HN 0.458 nan 8.370 nan 0.000 0.520 89 I N -0.390 120.284 120.570 0.173 0.000 2.729 89 I HA -0.075 4.095 4.170 -0.000 0.000 0.256 89 I C 1.937 178.255 176.117 0.335 0.000 1.115 89 I CA 0.017 61.517 61.300 0.333 0.000 1.446 89 I CB -0.250 37.900 38.000 0.250 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 0.140 0.000 2.137 90 N HA -0.257 4.483 4.740 -0.000 0.000 0.190 90 N C 1.883 177.431 175.510 0.063 0.000 1.017 90 N CA 1.540 54.651 53.050 0.102 0.000 0.859 90 N CB -0.386 38.114 38.487 0.023 0.000 1.002 90 N HN 0.355 nan 8.380 nan 0.000 0.428 91 M N -0.465 119.061 119.600 -0.124 0.000 2.116 91 M HA -0.198 4.282 4.480 -0.000 0.000 0.255 91 M C 0.643 176.867 176.300 -0.126 0.000 1.075 91 M CA 1.723 56.893 55.300 -0.218 0.000 1.087 91 M CB -0.237 32.111 32.600 -0.421 0.000 1.340 91 M HN 0.180 nan 8.290 nan 0.000 0.402 92 W N 0.421 121.759 121.300 0.063 0.000 3.468 92 W HA 0.012 4.672 4.660 -0.000 0.000 0.327 92 W C 1.883 178.419 176.519 0.029 0.000 1.259 92 W CA -0.361 56.987 57.345 0.005 0.000 1.706 92 W CB -0.407 29.059 29.460 0.010 0.000 1.007 92 W HN 0.363 nan 8.180 nan 0.000 0.764 93 Q N 2.212 122.165 119.800 0.254 0.000 2.061 93 Q HA -0.181 4.159 4.340 -0.000 0.000 0.204 93 Q C -0.150 175.911 176.000 0.101 0.000 0.984 93 Q CA 1.997 57.952 55.803 0.254 0.000 0.846 93 Q CB -1.466 27.358 28.738 0.143 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 -0.261 0.000 1.145 94 P CA 0.876 63.911 63.100 -0.108 0.000 0.795 94 P CB 0.124 31.750 31.700 -0.124 0.000 0.775 95 L N -2.409 118.571 121.223 -0.405 0.000 2.477 95 L HA 0.235 4.575 4.340 -0.000 0.000 0.220 95 L C 2.116 178.397 176.870 -0.981 0.000 1.106 95 L CA 0.777 55.088 54.840 -0.883 0.000 0.851 95 L CB -1.277 40.056 42.059 -1.210 0.000 0.994 95 L HN -0.235 nan 8.230 nan 0.000 0.462 96 F N -0.159 119.546 119.950 -0.409 0.000 2.163 96 F HA -0.126 4.401 4.527 -0.000 0.000 0.297 96 F C 2.478 178.187 175.800 -0.152 0.000 1.094 96 F CA 1.190 59.078 58.000 -0.187 0.000 1.290 96 F CB -0.418 38.607 39.000 0.041 0.000 1.017 96 F HN 0.178 nan 8.300 nan 0.000 0.483 97 Q N -0.093 119.732 119.800 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 0.360 nan 8.270 nan 0.000 0.427 98 A N 1.478 124.200 122.820 -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 2.183 54.118 52.037 -0.169 0.000 0.638 98 A CB -1.177 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 -4.553 109.804 114.554 -0.328 0.000 3.312 99 T HA 0.279 4.629 4.350 -0.000 0.000 0.251 99 T C 0.534 175.244 174.700 0.016 0.000 1.012 99 T CA 0.362 62.367 62.100 -0.158 0.000 0.925 99 T CB 0.057 68.762 68.868 -0.271 0.000 1.049 99 T HN 0.339 nan 8.240 nan 0.000 0.583 100 K N 0.138 120.559 120.400 0.034 0.000 3.184 100 K HA -0.189 4.130 4.320 -0.000 0.000 0.301 100 K C 0.769 177.440 176.600 0.118 0.000 1.170 100 K CA 1.323 57.654 56.287 0.073 0.000 0.897 100 K CB -2.365 30.174 32.500 0.065 0.000 1.218 100 K HN 0.690 nan 8.250 nan 0.000 0.441 101 T N -1.671 113.003 114.554 0.199 0.000 3.367 101 T HA 0.480 4.830 4.350 -0.000 0.000 0.330 101 T C 1.247 176.101 174.700 0.256 0.000 1.269 101 T CA 1.190 63.452 62.100 0.271 0.000 0.912 101 T CB 0.343 69.469 68.868 0.430 0.000 2.087 101 T HN 0.614 nan 8.240 nan 0.000 0.562 102 G N -0.198 108.745 108.800 0.239 0.000 2.582 102 G HA2 -0.260 3.700 3.960 -0.000 0.000 0.288 102 G HA3 -0.260 3.700 3.960 -0.000 0.000 0.288 102 G C 0.618 175.448 174.900 -0.117 0.000 1.247 102 G CA 0.935 45.909 45.100 -0.209 0.000 0.972 102 G HN 2.097 nan 8.290 nan 0.000 0.557 103 C N -2.907 116.304 119.300 -0.150 0.000 3.951 103 C HA 0.685 5.145 4.460 -0.000 0.000 0.395 103 C C 1.088 176.031 174.990 -0.078 0.000 2.815 103 C CA 0.382 59.353 59.018 -0.078 0.000 1.527 103 C CB -0.947 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 1.067 109.818 108.800 -0.082 0.000 2.612 104 G HA2 0.299 4.259 3.960 -0.000 0.000 0.686 104 G HA3 0.299 4.259 3.960 -0.000 0.000 0.686 104 G C -3.171 171.688 174.900 -0.068 0.000 1.274 104 G CA -0.406 44.664 45.100 -0.051 0.000 0.849 104 G HN 0.366 nan 8.290 nan 0.000 0.595 105 P HA 0.468 nan 4.420 nan 0.000 0.276 105 P C 0.125 177.421 177.300 -0.008 0.000 1.230 105 P CA -0.330 62.768 63.100 -0.004 0.000 0.776 105 P CB 0.524 32.239 31.700 0.025 0.000 0.888 106 I N 2.969 123.548 120.570 0.016 0.000 2.294 106 I HA 0.086 4.256 4.170 -0.000 0.000 0.295 106 I C -0.017 176.153 176.117 0.087 0.000 1.098 106 I CA -0.486 60.846 61.300 0.054 0.000 1.277 106 I CB 0.266 38.336 38.000 0.115 0.000 1.434 106 I HN 0.001 nan 8.210 nan 0.000 0.498 107 V N 7.045 126.979 119.914 0.033 0.000 2.498 107 V HA 0.010 4.130 4.120 -0.000 0.000 0.279 107 V C 1.025 177.170 176.094 0.085 0.000 1.048 107 V CA -0.522 61.807 62.300 0.048 0.000 0.967 107 V CB 1.649 33.472 31.823 0.000 0.000 0.988 107 V HN 0.634 nan 8.190 nan 0.000 0.473 108 L N 5.218 126.537 121.223 0.159 0.000 2.353 108 L HA -0.065 4.275 4.340 -0.000 0.000 0.220 108 L C 2.261 179.237 176.870 0.177 0.000 1.133 108 L CA 1.931 56.924 54.840 0.254 0.000 0.798 108 L CB -0.497 41.699 42.059 0.229 0.000 0.922 108 L HN 0.874 nan 8.230 nan 0.000 0.445 109 S N -2.421 113.321 115.700 0.071 0.000 2.720 109 S HA -0.025 4.445 4.470 -0.000 0.000 0.222 109 S C 1.722 176.294 174.600 -0.047 0.000 0.958 109 S CA 0.461 58.678 58.200 0.029 0.000 0.943 109 S CB -0.734 62.475 63.200 0.015 0.000 0.779 109 S HN 0.607 nan 8.310 nan 0.000 0.526 110 S N -0.264 115.339 115.700 -0.162 0.000 2.511 110 S HA 0.319 4.789 4.470 -0.000 0.000 0.214 110 S C 0.757 175.077 174.600 -0.466 0.000 0.997 110 S CA -0.487 57.495 58.200 -0.363 0.000 0.908 110 S CB -0.502 62.364 63.200 -0.557 0.000 0.803 110 S HN 0.441 nan 8.310 nan 0.000 0.504 111 F N 2.966 122.917 119.950 0.003 0.000 2.731 111 F HA 0.299 4.826 4.527 -0.000 0.000 0.298 111 F C 1.658 177.474 175.800 0.027 0.000 1.106 111 F CA 0.159 58.157 58.000 -0.003 0.000 1.329 111 F CB -0.128 38.858 39.000 -0.022 0.000 1.100 111 F HN 0.275 nan 8.300 nan 0.000 0.592 112 T N -2.102 112.566 114.554 0.189 0.000 2.902 112 T HA 0.702 5.052 4.350 -0.000 0.000 0.287 112 T C 0.302 175.089 174.700 0.146 0.000 1.048 112 T CA 0.113 62.322 62.100 0.181 0.000 0.941 112 T CB 1.529 70.492 68.868 0.158 0.000 1.432 112 T HN 0.103 nan 8.240 nan 0.000 0.586 113 T N -3.619 111.046 114.554 0.185 0.000 2.711 113 T HA 0.526 4.876 4.350 -0.000 0.000 0.302 113 T C -0.947 173.858 174.700 0.176 0.000 1.373 113 T CA -0.808 61.378 62.100 0.143 0.000 1.000 113 T CB 1.263 70.213 68.868 0.137 0.000 1.483 113 T HN 0.557 nan 8.240 nan 0.000 0.499 114 T N 2.073 116.696 114.554 0.114 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 61.758 62.100 0.138 0.000 1.562 114 T CB -0.118 68.796 68.868 0.076 0.000 0.924 114 T HN 0.834 nan 8.240 nan 0.000 0.678 115 T N 1.832 116.441 114.554 0.091 0.000 2.771 115 T HA 0.653 5.003 4.350 -0.000 0.000 0.290 115 T C 0.281 174.968 174.700 -0.022 0.000 1.005 115 T CA -0.857 61.150 62.100 -0.155 0.000 0.944 115 T CB 0.820 69.348 68.868 -0.566 0.000 1.147 115 T HN 0.469 nan 8.240 nan 0.000 0.534 116 S N -1.581 114.018 115.700 -0.168 0.000 2.543 116 S HA 0.806 5.276 4.470 -0.000 0.000 0.273 116 S C -0.352 174.127 174.600 -0.203 0.000 1.152 116 S CA -0.532 57.617 58.200 -0.084 0.000 0.910 116 S CB 1.829 64.998 63.200 -0.052 0.000 1.105 116 S HN 1.335 nan 8.310 nan 0.000 0.465 117 G N 0.774 109.449 108.800 -0.209 0.000 2.393 117 G HA2 0.466 4.426 3.960 -0.000 0.000 0.264 117 G HA3 0.466 4.426 3.960 -0.000 0.000 0.264 117 G C -2.402 172.282 174.900 -0.360 0.000 1.221 117 G CA -0.702 44.205 45.100 -0.323 0.000 0.912 117 G HN 0.571 nan 8.290 nan 0.000 0.483 118 Y N -0.440 119.894 120.300 0.057 0.000 2.330 118 Y HA 0.593 5.143 4.550 -0.000 0.000 0.336 118 Y C 0.290 176.249 175.900 0.099 0.000 1.036 118 Y CA -0.694 57.432 58.100 0.043 0.000 1.125 118 Y CB 2.036 40.509 38.460 0.021 0.000 1.194 118 Y HN 0.397 nan 8.280 nan 0.000 0.469 119 V N 4.464 124.491 119.914 0.187 0.000 2.349 119 V HA 0.939 5.059 4.120 -0.000 0.000 0.284 119 V C -0.271 175.857 176.094 0.057 0.000 1.014 119 V CA 0.168 62.587 62.300 0.200 0.000 0.826 119 V CB 0.437 32.379 31.823 0.198 0.000 1.009 119 V HN 0.885 nan 8.190 nan 0.000 0.431 120 G N 4.005 112.762 108.800 -0.073 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 0.327 175.131 174.900 -0.160 0.000 1.291 120 G CA 0.042 45.047 45.100 -0.157 0.000 0.834 120 G HN 1.094 nan 8.290 nan 0.000 0.564 121 A N -1.362 121.351 122.820 -0.178 0.000 2.115 121 A HA 0.561 4.881 4.320 -0.000 0.000 0.211 121 A C 1.152 178.601 177.584 -0.225 0.000 1.169 121 A CA 1.877 53.876 52.037 -0.062 0.000 0.787 121 A CB -0.123 18.872 19.000 -0.009 0.000 0.858 121 A HN 1.765 nan 8.150 nan 0.000 0.474 122 T N -5.512 108.728 114.554 -0.522 0.000 2.982 122 T HA 0.545 4.895 4.350 -0.000 0.000 0.321 122 T C 0.876 175.122 174.700 -0.756 0.000 1.229 122 T CA 0.325 62.045 62.100 -0.634 0.000 1.044 122 T CB 1.152 69.886 68.868 -0.222 0.000 1.184 122 T HN 0.961 nan 8.240 nan 0.000 0.477 123 A N 2.894 125.267 122.820 -0.745 0.000 1.923 123 A HA -0.091 4.229 4.320 -0.000 0.000 0.222 123 A C 2.404 179.819 177.584 -0.282 0.000 1.258 123 A CA 3.245 55.055 52.037 -0.378 0.000 0.670 123 A CB -1.881 17.085 19.000 -0.057 0.000 0.834 123 A HN 1.634 nan 8.150 nan 0.000 0.470 124 G N 0.154 108.829 108.800 -0.210 0.000 2.514 124 G HA2 -0.344 3.616 3.960 -0.000 0.000 0.217 124 G HA3 -0.344 3.616 3.960 -0.000 0.000 0.217 124 G C 1.146 175.940 174.900 -0.177 0.000 1.198 124 G CA 1.774 46.779 45.100 -0.159 0.000 0.780 124 G HN 0.859 nan 8.290 nan 0.000 0.565 125 D N -0.046 120.235 120.400 -0.200 0.000 2.333 125 D HA 0.361 5.001 4.640 -0.000 0.000 0.208 125 D C 2.240 178.423 176.300 -0.196 0.000 0.984 125 D CA 0.948 54.846 54.000 -0.169 0.000 0.873 125 D CB -0.177 40.540 40.800 -0.138 0.000 0.935 125 D HN 0.300 nan 8.370 nan 0.000 0.521 126 A N 0.220 122.860 122.820 -0.300 0.000 2.119 126 A HA 0.065 4.385 4.320 -0.000 0.000 0.217 126 A C 1.981 179.464 177.584 -0.169 0.000 1.153 126 A CA 0.440 52.311 52.037 -0.276 0.000 0.692 126 A CB -0.610 18.059 19.000 -0.551 0.000 0.799 126 A HN 0.328 nan 8.150 nan 0.000 0.458 127 L N 0.003 121.076 121.223 -0.249 0.000 2.275 127 L HA -0.051 4.289 4.340 -0.000 0.000 0.215 127 L C 0.055 176.772 176.870 -0.254 0.000 1.119 127 L CA 1.674 56.292 54.840 -0.371 0.000 0.790 127 L CB -0.547 41.320 42.059 -0.321 0.000 0.919 127 L HN 0.315 nan 8.230 nan 0.000 0.443 128 D N -0.722 119.601 120.400 -0.128 0.000 2.491 128 D HA 0.169 4.809 4.640 -0.000 0.000 0.228 128 D C 0.030 176.326 176.300 -0.007 0.000 1.183 128 D CA 0.179 54.143 54.000 -0.061 0.000 0.827 128 D CB -0.117 40.646 40.800 -0.062 0.000 0.989 128 D HN 0.217 nan 8.370 nan 0.000 0.494 129 N N 1.292 120.023 118.700 0.051 0.000 2.628 129 N HA 0.104 4.844 4.740 -0.000 0.000 0.299 129 N C -2.755 172.830 175.510 0.124 0.000 1.834 129 N CA -0.803 52.276 53.050 0.049 0.000 0.871 129 N CB 1.400 39.882 38.487 -0.008 0.000 1.377 129 N HN 0.059 nan 8.380 nan 0.000 0.493 130 P HA -0.011 nan 4.420 nan 0.000 0.260 130 P C -0.044 177.232 177.300 -0.040 0.000 1.207 130 P CA 0.288 63.470 63.100 0.136 0.000 0.780 130 P CB 0.986 32.836 31.700 0.250 0.000 0.789 131 V N 4.921 124.770 119.914 -0.109 0.000 2.459 131 V HA 0.385 4.505 4.120 -0.000 0.000 0.295 131 V C -0.299 175.758 176.094 -0.061 0.000 1.029 131 V CA -0.200 62.040 62.300 -0.101 0.000 0.874 131 V CB 1.998 33.698 31.823 -0.205 0.000 0.985 131 V HN 0.466 nan 8.190 nan 0.000 0.438 132 T N 6.053 120.587 114.554 -0.034 0.000 2.771 132 T HA 0.383 4.733 4.350 -0.000 0.000 0.281 132 T C 0.248 174.970 174.700 0.038 0.000 0.982 132 T CA -0.333 61.758 62.100 -0.016 0.000 0.978 132 T CB 0.474 69.325 68.868 -0.028 0.000 0.930 132 T HN 0.800 nan 8.240 nan 0.000 0.447 133 N N 1.698 120.437 118.700 0.065 0.000 2.725 133 N HA -0.130 4.610 4.740 -0.000 0.000 0.251 133 N C 0.593 176.200 175.510 0.162 0.000 1.031 133 N CA 0.964 54.075 53.050 0.102 0.000 0.720 133 N CB -0.789 37.730 38.487 0.053 0.000 0.930 133 N HN 0.913 nan 8.380 nan 0.000 0.543 134 G N -0.670 108.294 108.800 0.274 0.000 2.653 134 G HA2 0.406 4.366 3.960 -0.000 0.000 0.265 134 G HA3 0.406 4.366 3.960 -0.000 0.000 0.265 134 G C -0.006 175.039 174.900 0.243 0.000 1.237 134 G CA -0.196 45.038 45.100 0.223 0.000 0.946 134 G HN 0.269 nan 8.290 nan 0.000 0.522 135 V N 0.653 120.613 119.914 0.076 0.000 2.313 135 V HA 0.662 4.782 4.120 -0.000 0.000 0.278 135 V C -1.102 174.949 176.094 -0.072 0.000 1.017 135 V CA -0.932 61.410 62.300 0.070 0.000 0.823 135 V CB -0.438 31.392 31.823 0.011 0.000 1.010 135 V HN 0.430 nan 8.190 nan 0.000 0.443 136 F N 6.015 126.106 119.950 0.235 0.000 2.470 136 F HA 0.603 5.130 4.527 -0.000 0.000 0.329 136 F C 0.101 176.048 175.800 0.246 0.000 1.072 136 F CA -0.866 57.301 58.000 0.279 0.000 0.989 136 F CB 2.006 41.224 39.000 0.363 0.000 1.193 136 F HN 0.385 nan 8.300 nan 0.000 0.481 137 I N 2.110 122.914 120.570 0.391 0.000 2.389 137 I HA 0.359 4.529 4.170 -0.000 0.000 0.288 137 I C -0.150 176.066 176.117 0.165 0.000 0.999 137 I CA -0.438 61.018 61.300 0.259 0.000 1.129 137 I CB 1.011 39.119 38.000 0.181 0.000 1.288 137 I HN 0.717 nan 8.210 nan 0.000 0.444 138 S N 3.893 119.611 115.700 0.029 0.000 2.584 138 S HA 0.123 4.593 4.470 -0.000 0.000 0.270 138 S C 1.095 175.595 174.600 -0.166 0.000 1.346 138 S CA -0.067 57.911 58.200 -0.370 0.000 1.018 138 S CB 1.281 64.132 63.200 -0.583 0.000 0.899 138 S HN 0.757 nan 8.310 nan 0.000 0.542 139 T N 1.639 116.083 114.554 -0.184 0.000 2.597 139 T HA -0.178 4.172 4.350 -0.000 0.000 0.267 139 T C 1.835 176.515 174.700 -0.033 0.000 1.053 139 T CA 1.636 63.690 62.100 -0.077 0.000 1.165 139 T CB -0.716 68.112 68.868 -0.068 0.000 0.863 139 T HN 0.624 nan 8.240 nan 0.000 0.427 140 V N 1.217 121.134 119.914 0.005 0.000 2.660 140 V HA -0.196 3.924 4.120 -0.000 0.000 0.257 140 V C 2.373 178.501 176.094 0.057 0.000 1.088 140 V CA 1.746 64.082 62.300 0.060 0.000 1.106 140 V CB -0.475 31.452 31.823 0.172 0.000 0.686 140 V HN 0.400 nan 8.190 nan 0.000 0.481 141 Q N -0.494 119.331 119.800 0.042 0.000 2.123 141 Q HA 0.077 4.417 4.340 -0.000 0.000 0.196 141 Q C 2.160 178.142 176.000 -0.030 0.000 0.958 141 Q CA 1.694 57.545 55.803 0.080 0.000 0.841 141 Q CB -0.328 28.484 28.738 0.124 0.000 0.915 141 Q HN 0.662 nan 8.270 nan 0.000 0.455 142 I N 0.553 121.090 120.570 -0.055 0.000 2.800 142 I HA -0.266 3.904 4.170 -0.000 0.000 0.266 142 I C 1.680 177.701 176.117 -0.158 0.000 1.249 142 I CA 0.496 61.722 61.300 -0.122 0.000 1.458 142 I CB 0.129 38.098 38.000 -0.051 0.000 1.093 142 I HN 0.173 nan 8.210 nan 0.000 0.466 143 M N -0.230 119.307 119.600 -0.106 0.000 2.325 143 M HA -0.058 4.422 4.480 -0.000 0.000 0.265 143 M C 1.920 178.138 176.300 -0.137 0.000 1.094 143 M CA 1.451 56.693 55.300 -0.097 0.000 1.161 143 M CB -1.125 31.451 32.600 -0.040 0.000 1.358 143 M HN 0.192 nan 8.290 nan 0.000 0.446 144 N N 0.597 119.225 118.700 -0.120 0.000 2.109 144 N HA -0.105 4.635 4.740 -0.000 0.000 0.188 144 N C 1.696 176.923 175.510 -0.473 0.000 1.034 144 N CA 0.881 53.856 53.050 -0.126 0.000 0.846 144 N CB -0.896 37.685 38.487 0.157 0.000 1.010 144 N HN 0.214 nan 8.380 nan 0.000 0.425 145 L N 1.492 122.092 121.223 -1.039 0.000 2.270 145 L HA -0.181 4.159 4.340 -0.000 0.000 0.217 145 L C 2.155 178.583 176.870 -0.737 0.000 1.107 145 L CA 1.698 55.648 54.840 -1.483 0.000 0.772 145 L CB -0.391 40.854 42.059 -1.356 0.000 0.902 145 L HN 0.178 nan 8.230 nan 0.000 0.439 146 Q N 0.059 119.561 119.800 -0.496 0.000 1.990 146 Q HA -0.128 4.212 4.340 -0.000 0.000 0.195 146 Q C 2.374 178.242 176.000 -0.221 0.000 0.977 146 Q CA 1.381 56.991 55.803 -0.323 0.000 0.828 146 Q CB -0.251 28.347 28.738 -0.234 0.000 0.896 146 Q HN 0.478 nan 8.270 nan 0.000 0.447 147 R N -0.093 120.307 120.500 -0.167 0.000 2.293 147 R HA -0.048 4.292 4.340 -0.000 0.000 0.219 147 R C 2.021 178.265 176.300 -0.094 0.000 1.091 147 R CA 1.153 57.190 56.100 -0.106 0.000 1.004 147 R CB 0.094 30.353 30.300 -0.069 0.000 0.865 147 R HN 0.299 nan 8.270 nan 0.000 0.469 148 T N 0.679 115.157 114.554 -0.127 0.000 2.781 148 T HA 0.044 4.394 4.350 -0.000 0.000 0.252 148 T C 1.712 176.366 174.700 -0.077 0.000 1.039 148 T CA 0.592 62.652 62.100 -0.066 0.000 1.147 148 T CB 0.036 68.902 68.868 -0.004 0.000 0.865 148 T HN 0.107 nan 8.240 nan 0.000 0.423 149 I N 1.399 121.891 120.570 -0.130 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 -0.067 0.000 1.146 149 I CA 0.897 62.144 61.300 -0.089 0.000 1.412 149 I CB -0.258 37.662 38.000 -0.134 0.000 1.076 149 I HN 0.222 nan 8.210 nan 0.000 0.432 150 A N 0.346 123.115 122.820 -0.084 0.000 1.855 150 A HA 0.006 4.326 4.320 -0.000 0.000 0.213 150 A C 2.542 180.089 177.584 -0.062 0.000 1.195 150 A CA 1.241 53.237 52.037 -0.069 0.000 0.610 150 A CB -0.787 18.170 19.000 -0.072 0.000 0.837 150 A HN 0.367 nan 8.150 nan 0.000 0.444 151 A N -0.133 122.653 122.820 -0.057 0.000 1.865 151 A HA -0.179 4.141 4.320 -0.000 0.000 0.217 151 A C 2.223 179.778 177.584 -0.049 0.000 1.191 151 A CA 1.637 53.643 52.037 -0.050 0.000 0.623 151 A CB -0.518 18.460 19.000 -0.036 0.000 0.826 151 A HN 0.369 nan 8.150 nan 0.000 0.444 152 R N -1.621 118.862 120.500 -0.028 0.000 2.096 152 R HA -0.099 4.241 4.340 -0.000 0.000 0.235 152 R C 2.000 178.299 176.300 -0.001 0.000 1.127 152 R CA 1.542 57.658 56.100 0.026 0.000 0.968 152 R CB -0.824 29.495 30.300 0.032 0.000 0.861 152 R HN 0.514 nan 8.270 nan 0.000 0.440 153 M N 0.624 120.204 119.600 -0.033 0.000 2.149 153 M HA -0.141 4.339 4.480 -0.000 0.000 0.261 153 M C 2.164 178.377 176.300 -0.146 0.000 1.064 153 M CA 1.481 56.743 55.300 -0.063 0.000 1.102 153 M CB -0.518 32.057 32.600 -0.042 0.000 1.369 153 M HN 0.023 nan 8.290 nan 0.000 0.408 154 R N -0.134 120.275 120.500 -0.152 0.000 2.075 154 R HA -0.166 4.175 4.340 -0.000 0.000 0.230 154 R C 1.835 177.913 176.300 -0.370 0.000 1.140 154 R CA 2.004 57.980 56.100 -0.207 0.000 0.928 154 R CB -0.610 29.596 30.300 -0.156 0.000 0.834 154 R HN 0.370 nan 8.270 nan 0.000 0.429 155 D N -0.034 120.128 120.400 -0.397 0.000 2.204 155 D HA -0.246 4.394 4.640 -0.000 0.000 0.189 155 D C 1.756 177.186 176.300 -1.451 0.000 1.006 155 D CA 2.174 55.699 54.000 -0.793 0.000 0.855 155 D CB -0.283 40.280 40.800 -0.395 0.000 0.946 155 D HN 0.215 nan 8.370 nan 0.000 0.448 156 V N 1.077 120.413 119.914 -0.963 0.000 2.307 156 V HA -0.160 3.960 4.120 -0.000 0.000 0.245 156 V C 2.397 178.016 176.094 -0.792 0.000 1.045 156 V CA 2.252 63.934 62.300 -1.031 0.000 1.024 156 V CB -0.500 30.836 31.823 -0.812 0.000 0.651 156 V HN 0.252 nan 8.190 nan 0.000 0.449 157 A N 0.063 122.593 122.820 -0.484 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 2.442 54.299 52.037 -0.301 0.000 0.651 157 A CB -0.582 18.296 19.000 -0.204 0.000 0.815 157 A HN 0.603 nan 8.150 nan 0.000 0.459 158 L N -2.097 118.855 121.223 -0.453 0.000 2.022 158 L HA -0.149 4.191 4.340 -0.000 0.000 0.204 158 L C 2.810 179.565 176.870 -0.191 0.000 1.076 158 L CA 1.387 56.014 54.840 -0.354 0.000 0.749 158 L CB -1.177 40.645 42.059 -0.396 0.000 0.903 158 L HN 0.594 nan 8.230 nan 0.000 0.439 159 W N 0.742 121.957 121.300 -0.141 0.000 2.317 159 W HA -0.253 4.407 4.660 -0.000 0.000 0.318 159 W C 2.583 179.147 176.519 0.075 0.000 1.227 159 W CA 0.901 58.293 57.345 0.078 0.000 1.269 159 W CB -1.382 27.919 29.460 -0.264 0.000 1.155 159 W HN 0.375 nan 8.180 nan 0.000 0.484 160 Q N 1.620 121.329 119.800 -0.152 0.000 2.325 160 Q HA -0.250 4.090 4.340 -0.000 0.000 0.211 160 Q C 2.059 178.179 176.000 0.200 0.000 0.988 160 Q CA 2.430 58.290 55.803 0.095 0.000 0.887 160 Q CB -0.345 28.372 28.738 -0.035 0.000 0.915 160 Q HN 0.537 nan 8.270 nan 0.000 0.440 161 K N -1.442 118.971 120.400 0.021 0.000 2.137 161 K HA -0.121 4.199 4.320 -0.000 0.000 0.202 161 K C 1.766 178.327 176.600 -0.065 0.000 1.052 161 K CA 0.881 57.135 56.287 -0.054 0.000 0.961 161 K CB -0.259 32.127 32.500 -0.190 0.000 0.741 161 K HN 0.241 nan 8.250 nan 0.000 0.452 162 H N 0.859 119.971 119.070 0.070 0.000 2.357 162 H HA -0.099 4.457 4.556 -0.000 0.000 0.301 162 H C 2.178 177.413 175.328 -0.155 0.000 1.082 162 H CA 1.456 57.475 56.048 -0.048 0.000 1.342 162 H CB -0.173 29.541 29.762 -0.080 0.000 1.389 162 H HN 0.197 nan 8.280 nan 0.000 0.511 163 L N 1.486 122.733 121.223 0.040 0.000 2.079 163 L HA -0.179 4.161 4.340 -0.000 0.000 0.210 163 L C 1.943 178.861 176.870 0.080 0.000 1.081 163 L CA 2.030 56.894 54.840 0.040 0.000 0.752 163 L CB -0.650 41.728 42.059 0.530 0.000 0.896 163 L HN 0.106 nan 8.230 nan 0.000 0.433 164 D N -1.343 119.143 120.400 0.143 0.000 2.077 164 D HA -0.213 4.427 4.640 -0.000 0.000 0.196 164 D C 2.179 178.505 176.300 0.042 0.000 0.986 164 D CA 1.899 55.967 54.000 0.114 0.000 0.829 164 D CB -0.197 40.691 40.800 0.146 0.000 0.983 164 D HN 0.525 nan 8.370 nan 0.000 0.453 165 T N -2.074 112.496 114.554 0.027 0.000 2.896 165 T HA -0.147 4.203 4.350 -0.000 0.000 0.270 165 T C 1.699 176.396 174.700 -0.006 0.000 1.104 165 T CA 1.545 63.652 62.100 0.011 0.000 1.115 165 T CB -0.414 68.459 68.868 0.009 0.000 0.843 165 T HN 0.164 nan 8.240 nan 0.000 0.523 166 A N 0.063 122.867 122.820 -0.027 0.000 1.973 166 A HA 0.479 4.799 4.320 -0.000 0.000 0.210 166 A C 2.155 179.713 177.584 -0.044 0.000 1.200 166 A CA 0.815 52.821 52.037 -0.052 0.000 0.707 166 A CB -0.453 18.491 19.000 -0.094 0.000 0.862 166 A HN 0.429 nan 8.150 nan 0.000 0.461 167 M N 0.834 120.385 119.600 -0.082 0.000 2.074 167 M HA -0.096 4.384 4.480 -0.000 0.000 0.259 167 M C 2.317 178.576 176.300 -0.069 0.000 1.079 167 M CA 2.629 57.816 55.300 -0.188 0.000 1.119 167 M CB -0.916 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 -1.435 113.116 114.554 -0.005 0.000 2.946 168 T HA -0.186 4.164 4.350 -0.000 0.000 0.271 168 T C 1.608 176.355 174.700 0.079 0.000 1.104 168 T CA 1.214 63.352 62.100 0.064 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 -0.242 176.182 176.300 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 0.225 0.000 2.562 170 L HA 0.229 4.569 4.340 -0.000 0.000 0.307 170 L C -0.207 176.898 176.870 0.392 0.000 1.292 170 L CA -0.485 54.583 54.840 0.380 0.000 0.654 170 L CB -1.376 40.888 42.059 0.342 0.000 0.997 170 L HN 0.025 nan 8.230 nan 0.000 0.521 171 T N 1.314 116.027 114.554 0.266 0.000 2.487 171 T HA -0.101 4.249 4.350 -0.000 0.000 0.490 171 T C -1.342 173.548 174.700 0.316 0.000 0.794 171 T CA 0.778 63.014 62.100 0.226 0.000 3.697 171 T CB -0.693 68.263 68.868 0.147 0.000 0.878 171 T HN 0.599 nan 8.240 nan 0.000 0.259 172 P HA 0.162 nan 4.420 nan 0.000 0.258 172 P C -0.338 177.107 177.300 0.240 0.000 1.403 172 P CA 0.295 63.542 63.100 0.246 0.000 0.826 172 P CB 0.463 32.263 31.700 0.168 0.000 1.414 173 D N 0.877 121.410 120.400 0.222 0.000 2.542 173 D HA 0.283 4.923 4.640 -0.000 0.000 0.252 173 D C 0.251 176.634 176.300 0.140 0.000 1.222 173 D CA -0.397 53.705 54.000 0.170 0.000 0.895 173 D CB 1.781 42.669 40.800 0.148 0.000 1.207 173 D HN 0.132 nan 8.370 nan 0.000 0.558 174 I N -0.914 119.735 120.570 0.131 0.000 2.947 174 I HA 0.606 4.776 4.170 -0.000 0.000 0.314 174 I C 0.528 176.687 176.117 0.070 0.000 1.028 174 I CA -0.711 60.649 61.300 0.100 0.000 1.077 174 I CB 2.106 40.179 38.000 0.121 0.000 1.274 174 I HN 0.149 nan 8.210 nan 0.000 0.485 175 S N 1.295 117.025 115.700 0.051 0.000 2.952 175 S HA 0.735 5.205 4.470 -0.000 0.000 0.251 175 S C -0.027 174.590 174.600 0.027 0.000 1.021 175 S CA 0.004 58.226 58.200 0.037 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 0.453 123.291 122.820 0.030 0.000 2.500 176 A HA 0.787 5.107 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 0.363 19.375 19.000 0.019 0.000 1.337 176 A HN 1.713 nan 8.150 nan 0.000 0.400 177 G N 1.351 110.164 108.800 0.022 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 45.295 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 1.365 64.586 63.200 0.035 0.000 1.278 178 S HN 2.516 nan 8.310 nan 0.000 0.528 179 A N 1.092 123.972 122.820 0.101 0.000 1.320 179 A HA 0.451 4.771 4.320 -0.000 0.000 0.218 179 A C -0.267 177.394 177.584 0.128 0.000 0.940 179 A CA -0.422 51.710 52.037 0.159 0.000 0.663 179 A CB -0.643 18.510 19.000 0.256 0.000 0.547 179 A HN 0.824 nan 8.150 nan 0.000 0.322 180 S N -0.035 115.696 115.700 0.051 0.000 2.690 180 S HA 0.826 5.296 4.470 -0.000 0.000 0.285 180 S C 0.364 174.863 174.600 -0.168 0.000 1.135 180 S CA -0.244 57.912 58.200 -0.073 0.000 1.020 180 S CB 1.687 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 -0.378 174.545 174.990 -0.111 0.000 0.979 181 C CA -0.696 58.176 59.018 -0.244 0.000 1.283 181 C CB -1.651 25.698 27.740 -0.651 0.000 1.644 181 C HN 1.180 nan 8.230 nan 0.000 0.575 182 N N 3.750 122.431 118.700 -0.033 0.000 1.801 182 N HA -0.199 4.541 4.740 -0.000 0.000 0.315 182 N C 1.206 176.760 175.510 0.074 0.000 1.326 182 N CA 0.997 54.066 53.050 0.031 0.000 0.840 182 N CB 0.222 38.721 38.487 0.021 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 -0.373 4.287 4.660 -0.000 0.000 0.321 183 W C 1.162 177.638 176.519 -0.073 0.000 1.269 183 W CA 1.426 58.716 57.345 -0.092 0.000 1.274 183 W CB -0.130 29.283 29.460 -0.079 0.000 1.141 183 W HN 0.602 nan 8.180 nan 0.000 0.493 184 K N 0.343 120.718 120.400 -0.041 0.000 1.988 184 K HA -0.211 4.109 4.320 -0.000 0.000 0.221 184 K C 2.054 178.541 176.600 -0.189 0.000 1.053 184 K CA 2.069 58.268 56.287 -0.147 0.000 0.959 184 K CB -1.257 31.226 32.500 -0.029 0.000 0.728 184 K HN 0.118 nan 8.250 nan 0.000 0.447 185 S N 1.648 117.296 115.700 -0.086 0.000 2.389 185 S HA -0.219 4.250 4.470 -0.000 0.000 0.229 185 S C 1.985 176.521 174.600 -0.107 0.000 1.048 185 S CA 1.646 59.826 58.200 -0.034 0.000 1.117 185 S CB -0.602 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 1.394 122.497 121.223 -0.200 0.000 2.011 186 L HA -0.204 4.136 4.340 -0.000 0.000 0.225 186 L C 2.191 178.877 176.870 -0.307 0.000 1.084 186 L CA 1.801 56.489 54.840 -0.253 0.000 0.791 186 L CB -0.694 41.192 42.059 -0.287 0.000 0.898 186 L HN 0.322 nan 8.230 nan 0.000 0.440 187 L N -1.242 119.611 121.223 -0.617 0.000 1.961 187 L HA -0.229 4.111 4.340 -0.000 0.000 0.210 187 L C 2.567 179.234 176.870 -0.337 0.000 1.072 187 L CA 1.573 56.045 54.840 -0.613 0.000 0.749 187 L CB -0.767 40.787 42.059 -0.841 0.000 0.889 187 L HN 0.399 nan 8.230 nan 0.000 0.432 188 A N -0.851 121.821 122.820 -0.246 0.000 2.148 188 A HA -0.295 4.025 4.320 -0.000 0.000 0.222 188 A C 2.022 179.523 177.584 -0.137 0.000 1.161 188 A CA 1.939 53.901 52.037 -0.124 0.000 0.662 188 A CB -0.857 18.131 19.000 -0.020 0.000 0.799 188 A HN 0.541 nan 8.150 nan 0.000 0.466 189 F N 0.388 120.092 119.950 -0.409 0.000 2.123 189 F HA 0.230 4.757 4.527 -0.000 0.000 0.289 189 F C 2.380 177.810 175.800 -0.617 0.000 1.099 189 F CA 1.093 58.609 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 0.410 122.843 122.820 -0.645 0.000 2.070 190 A HA -0.184 4.136 4.320 -0.000 0.000 0.220 190 A C 2.168 179.469 177.584 -0.472 0.000 1.159 190 A CA 1.529 53.182 52.037 -0.641 0.000 0.656 190 A CB -0.911 17.910 19.000 -0.298 0.000 0.800 190 A HN 0.515 nan 8.150 nan 0.000 0.453 191 K N -0.463 119.713 120.400 -0.373 0.000 2.281 191 K HA -0.175 4.145 4.320 -0.000 0.000 0.203 191 K C 0.824 177.274 176.600 -0.251 0.000 1.046 191 K CA 1.638 57.772 56.287 -0.254 0.000 0.938 191 K CB -0.097 32.292 32.500 -0.186 0.000 0.737 191 K HN 0.581 nan 8.250 nan 0.000 0.458 192 D N -0.146 120.033 120.400 -0.369 0.000 2.435 192 D HA 0.014 4.654 4.640 -0.000 0.000 0.257 192 D C 1.798 177.892 176.300 -0.344 0.000 1.290 192 D CA 0.427 54.247 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 1.134 121.383 120.570 -0.535 0.000 2.253 193 I HA -0.295 3.875 4.170 -0.000 0.000 0.234 193 I C 0.991 176.952 176.117 -0.258 0.000 0.978 193 I CA 1.066 62.117 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 3.798 124.860 121.223 -0.269 0.000 2.806 194 L HA -0.063 4.277 4.340 -0.000 0.000 0.282 194 L C -1.727 175.072 176.870 -0.119 0.000 1.166 194 L CA -0.555 54.184 54.840 -0.168 0.000 0.969 194 L CB -0.849 41.106 42.059 -0.173 0.000 1.304 194 L HN 0.151 nan 8.230 nan 0.000 0.474 195 P HA -0.048 nan 4.420 nan 0.000 0.268 195 P C 0.787 178.060 177.300 -0.046 0.000 1.205 195 P CA -0.549 62.522 63.100 -0.050 0.000 0.771 195 P CB 0.773 32.460 31.700 -0.023 0.000 0.858 196 L N 1.574 122.771 121.223 -0.043 0.000 2.671 196 L HA -0.153 4.187 4.340 -0.000 0.000 0.236 196 L C 0.658 177.506 176.870 -0.036 0.000 1.178 196 L CA 1.805 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 -2.005 118.382 120.400 -0.021 0.000 2.623 197 D HA 0.084 4.724 4.640 -0.000 0.000 0.252 197 D C 0.993 177.279 176.300 -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 41.079 40.800 0.032 0.000 1.070 197 D HN 0.211 nan 8.370 nan 0.000 0.487 198 N N 0.243 118.901 118.700 -0.070 0.000 2.199 198 N HA 0.165 4.905 4.740 -0.000 0.000 0.254 198 N C 0.522 175.686 175.510 -0.577 0.000 1.299 198 N CA 0.149 53.118 53.050 -0.134 0.000 0.940 198 N CB 0.482 38.922 38.487 -0.078 0.000 1.051 198 N HN -0.067 nan 8.380 nan 0.000 0.426 199 L N -1.012 119.931 121.223 -0.467 0.000 4.368 199 L HA 0.186 4.526 4.340 -0.000 0.000 0.430 199 L C 0.652 177.557 176.870 0.057 0.000 1.098 199 L CA 0.225 54.980 54.840 -0.143 0.000 1.557 199 L CB -1.117 40.925 42.059 -0.028 0.000 1.638 199 L HN 0.583 nan 8.230 nan 0.000 0.622 200 C N -0.307 118.820 119.300 -0.289 0.000 2.697 200 C HA 0.248 4.708 4.460 -0.000 0.000 0.267 200 C C 2.123 177.088 174.990 -0.041 0.000 1.278 200 C CA 0.137 59.005 59.018 -0.250 0.000 1.708 200 C CB -0.656 26.869 27.740 -0.358 0.000 1.860 200 C HN 0.438 nan 8.230 nan 0.000 0.589 201 L N -0.470 120.720 121.223 -0.055 0.000 2.470 201 L HA 0.104 4.444 4.340 -0.000 0.000 0.219 201 L C 2.477 179.301 176.870 -0.078 0.000 1.071 201 L CA 0.935 55.734 54.840 -0.068 0.000 0.850 201 L CB -0.509 41.494 42.059 -0.094 0.000 1.040 201 L HN 0.141 nan 8.230 nan 0.000 0.475 202 T N -1.250 113.251 114.554 -0.089 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 -0.523 0.000 1.094 202 T CA 1.001 62.917 62.100 -0.306 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 -0.782 119.590 120.300 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 0.173 0.000 1.132 203 Y CA -2.355 55.811 58.100 0.110 0.000 1.142 203 Y CB 0.318 38.786 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 0.229 204 P C 0.096 177.548 177.300 0.253 0.000 1.073 204 P CA 2.360 65.568 63.100 0.181 0.000 1.022 204 P CB -0.020 31.717 31.700 0.061 0.000 0.752 205 N N -1.760 117.063 118.700 0.205 0.000 3.025 205 N HA 0.247 4.987 4.740 -0.000 0.000 0.315 205 N C 0.470 176.086 175.510 0.177 0.000 1.511 205 N CA -0.273 52.925 53.050 0.248 0.000 1.097 205 N CB 0.521 39.124 38.487 0.193 0.000 1.395 205 N HN 0.074 nan 8.380 nan 0.000 0.511 206 E N -1.148 119.156 120.200 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 -0.106 0.000 0.898 206 E CA -0.005 56.404 56.400 0.015 0.000 1.422 206 E CB 0.153 29.872 29.700 0.032 0.000 1.398 206 E HN 0.296 nan 8.360 nan 0.000 0.752 207 F N -0.869 119.135 119.950 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 0.377 58.441 58.000 0.107 0.000 1.432 207 F CB -0.148 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 1.771 122.193 120.300 0.204 0.000 2.114 208 Y HA -0.282 4.268 4.550 -0.000 0.000 0.282 208 Y C 2.136 178.023 175.900 -0.023 0.000 1.165 208 Y CA 1.951 60.121 58.100 0.116 0.000 1.148 208 Y CB -0.865 37.677 38.460 0.136 0.000 0.972 208 Y HN 0.037 nan 8.280 nan 0.000 0.504 209 N N -0.463 118.133 118.700 -0.173 0.000 2.244 209 N HA -0.143 4.597 4.740 -0.000 0.000 0.183 209 N C 1.880 177.047 175.510 -0.572 0.000 1.016 209 N CA 1.580 54.398 53.050 -0.386 0.000 0.866 209 N CB -0.146 38.214 38.487 -0.211 0.000 0.980 209 N HN 0.302 nan 8.380 nan 0.000 0.430 210 V N 1.808 121.490 119.914 -0.387 0.000 2.323 210 V HA -0.140 3.980 4.120 -0.000 0.000 0.244 210 V C 2.612 178.429 176.094 -0.461 0.000 1.041 210 V CA 1.662 63.656 62.300 -0.510 0.000 1.025 210 V CB -0.923 30.573 31.823 -0.546 0.000 0.656 210 V HN 0.230 nan 8.190 nan 0.000 0.451 211 A N 0.293 122.993 122.820 -0.199 0.000 1.859 211 A HA -0.259 4.061 4.320 -0.000 0.000 0.217 211 A C 2.192 179.754 177.584 -0.036 0.000 1.198 211 A CA 2.287 54.353 52.037 0.048 0.000 0.629 211 A CB -0.807 18.288 19.000 0.159 0.000 0.830 211 A HN 0.470 nan 8.150 nan 0.000 0.446 212 I N -0.677 119.694 120.570 -0.332 0.000 2.367 212 I HA -0.359 3.811 4.170 -0.000 0.000 0.256 212 I C 1.886 177.947 176.117 -0.094 0.000 1.132 212 I CA 1.798 62.910 61.300 -0.312 0.000 1.397 212 I CB -0.408 37.284 38.000 -0.513 0.000 1.074 212 I HN 0.518 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 1.790 176.991 175.328 -0.212 0.000 0.982 213 H CA -0.101 55.845 56.048 -0.170 0.000 1.146 213 H CB 0.328 29.965 29.762 -0.207 0.000 1.382 213 H HN 0.280 nan 8.280 nan 0.000 0.577 214 R N -0.475 119.913 120.500 -0.186 0.000 2.435 214 R HA 0.105 4.445 4.340 -0.000 0.000 0.221 214 R C -0.664 175.146 176.300 -0.817 0.000 0.885 214 R CA 0.075 55.871 56.100 -0.507 0.000 1.018 214 R CB 0.815 30.703 30.300 -0.687 0.000 1.259 214 R HN 0.130 nan 8.270 nan 0.000 0.597 215 Y N 1.884 122.181 120.300 -0.005 0.000 2.555 215 Y HA 0.303 4.853 4.550 -0.000 0.000 0.326 215 Y C -1.855 174.036 175.900 -0.015 0.000 0.984 215 Y CA -2.838 55.268 58.100 0.010 0.000 1.298 215 Y CB 1.378 39.856 38.460 0.031 0.000 1.094 215 Y HN -0.090 nan 8.280 nan 0.000 0.500 216 P HA -0.035 nan 4.420 nan 0.000 0.259 216 P C 0.752 178.062 177.300 0.016 0.000 1.307 216 P CA 0.718 63.818 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 0.335 52.407 52.037 0.059 0.000 0.620 217 A CB -0.902 18.167 19.000 0.115 0.000 0.860 217 A HN 0.194 nan 8.150 nan 0.000 0.450 218 L N 1.752 122.989 121.223 0.024 0.000 2.485 218 L HA 0.179 4.519 4.340 -0.000 0.000 0.279 218 L C -0.519 176.272 176.870 -0.133 0.000 1.124 218 L CA 0.106 54.903 54.840 -0.072 0.000 0.888 218 L CB 0.075 42.136 42.059 0.003 0.000 1.217 218 L HN 0.185 nan 8.230 nan 0.000 0.464 219 K N 5.288 125.582 120.400 -0.175 0.000 2.293 219 K HA 0.415 4.735 4.320 -0.000 0.000 0.267 219 K C -2.263 174.235 176.600 -0.170 0.000 1.010 219 K CA -1.754 54.441 56.287 -0.153 0.000 0.875 219 K CB 1.121 33.541 32.500 -0.133 0.000 1.106 219 K HN 0.309 nan 8.250 nan 0.000 0.450 220 P HA 0.032 nan 4.420 nan 0.000 0.271 220 P C -0.043 177.221 177.300 -0.058 0.000 1.216 220 P CA -0.357 62.703 63.100 -0.067 0.000 0.776 220 P CB 0.829 32.501 31.700 -0.046 0.000 0.881 221 G N 2.279 111.044 108.800 -0.059 0.000 2.354 221 G HA2 0.027 3.987 3.960 -0.000 0.000 0.266 221 G HA3 0.027 3.987 3.960 -0.000 0.000 0.266 221 G C 0.298 175.195 174.900 -0.005 0.000 1.242 221 G CA -0.277 44.799 45.100 -0.040 0.000 0.923 221 G HN 0.582 nan 8.290 nan 0.000 0.476 222 N N 3.211 121.911 118.700 -0.000 0.000 2.412 222 N HA 0.060 4.800 4.740 -0.000 0.000 0.258 222 N C -1.038 174.479 175.510 0.012 0.000 1.236 222 N CA -1.676 51.380 53.050 0.011 0.000 0.882 222 N CB 1.375 39.869 38.487 0.012 0.000 1.066 222 N HN 0.085 nan 8.380 nan 0.000 0.465 223 P HA -0.076 nan 4.420 nan 0.000 0.214 223 P C -0.446 176.861 177.300 0.012 0.000 1.163 223 P CA 1.369 64.479 63.100 0.016 0.000 0.883 223 P CB 0.205 31.916 31.700 0.018 0.000 0.788 224 D N -1.650 118.755 120.400 0.009 0.000 3.139 224 D HA 0.194 4.834 4.640 -0.000 0.000 0.268 224 D C 0.521 176.825 176.300 0.006 0.000 1.322 224 D CA 0.415 54.420 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 -0.018 nan 8.370 nan 0.000 0.503 225 T N -0.955 113.603 114.554 0.007 0.000 4.643 225 T HA -0.090 4.260 4.350 -0.000 0.000 0.307 225 T C 0.338 175.041 174.700 0.005 0.000 0.936 225 T CA -0.332 61.771 62.100 0.006 0.000 0.626 225 T CB -0.280 68.591 68.868 0.005 0.000 0.965 225 T HN 0.095 nan 8.240 nan 0.000 0.670 226 K N 0.753 121.157 120.400 0.007 0.000 3.139 226 K HA -0.171 4.149 4.320 -0.000 0.000 0.261 226 K C -0.690 175.911 176.600 0.002 0.000 0.895 226 K CA 0.561 56.852 56.287 0.007 0.000 0.664 226 K CB -0.908 31.598 32.500 0.010 0.000 1.388 226 K HN 0.286 nan 8.250 nan 0.000 0.472 227 L N -1.609 119.613 121.223 -0.002 0.000 2.350 227 L HA 0.518 4.858 4.340 -0.000 0.000 0.260 227 L C -1.780 175.081 176.870 -0.016 0.000 1.015 227 L CA -2.443 52.392 54.840 -0.008 0.000 0.821 227 L CB 1.750 43.808 42.059 -0.003 0.000 1.370 227 L HN -0.199 nan 8.230 nan 0.000 0.416 228 P HA 0.054 nan 4.420 nan 0.000 0.286 228 P C -0.434 176.857 177.300 -0.015 0.000 1.394 228 P CA 0.509 63.585 63.100 -0.039 0.000 0.763 228 P CB 0.413 32.081 31.700 -0.053 0.000 1.632 229 D N -4.606 115.783 120.400 -0.017 0.000 2.520 229 D HA 0.252 4.892 4.640 -0.000 0.000 0.386 229 D C 0.763 177.063 176.300 -0.000 0.000 1.267 229 D CA 0.708 54.718 54.000 0.018 0.000 0.958 229 D CB 0.387 41.226 40.800 0.064 0.000 1.462 229 D HN 0.210 nan 8.370 nan 0.000 0.438 230 A N 0.170 122.971 122.820 -0.031 0.000 1.293 230 A HA -0.291 4.029 4.320 -0.000 0.000 0.322 230 A C 0.518 178.057 177.584 -0.076 0.000 1.764 230 A CA 1.475 53.490 52.037 -0.037 0.000 1.092 230 A CB -1.321 17.672 19.000 -0.012 0.000 1.471 230 A HN 0.271 nan 8.150 nan 0.000 0.722 231 Q N 0.825 120.576 119.800 -0.082 0.000 2.421 231 Q HA 0.563 4.903 4.340 -0.000 0.000 0.255 231 Q C 0.120 175.844 176.000 -0.461 0.000 1.013 231 Q CA 0.775 56.461 55.803 -0.195 0.000 0.895 231 Q CB 0.599 29.299 28.738 -0.064 0.000 1.271 231 Q HN 1.496 nan 8.270 nan 0.000 0.460 232 A N 2.909 125.434 122.820 -0.491 0.000 2.318 232 A HA 0.474 4.793 4.320 -0.000 0.000 0.317 232 A C -0.856 176.373 177.584 -0.592 0.000 1.159 232 A CA -0.735 51.008 52.037 -0.491 0.000 0.799 232 A CB 0.558 19.431 19.000 -0.212 0.000 1.194 232 A HN 0.699 nan 8.150 nan 0.000 0.479 233 H N 3.876 122.938 119.070 -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 -0.012 0.000 1.279 233 H CB -0.204 29.547 29.762 -0.017 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 1.264 178.585 177.300 0.035 0.000 1.253 234 P CA -0.666 62.458 63.100 0.040 0.000 0.800 234 P CB 2.009 33.705 31.700 -0.006 0.000 0.961 235 L N 2.420 123.649 121.223 0.010 0.000 2.211 235 L HA -0.150 4.190 4.340 -0.000 0.000 0.216 235 L C 2.051 179.024 176.870 0.172 0.000 1.092 235 L CA 2.380 57.282 54.840 0.105 0.000 0.767 235 L CB -1.889 40.254 42.059 0.140 0.000 0.894 235 L HN 0.622 nan 8.230 nan 0.000 0.437 236 G N -1.402 107.464 108.800 0.110 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 0.054 0.000 1.262 236 G CA 0.170 45.324 45.100 0.091 0.000 0.959 236 G HN 0.316 nan 8.290 nan 0.000 0.524 237 E N 0.017 120.246 120.200 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 0.057 0.000 1.074 237 E CA 2.401 58.828 56.400 0.044 0.000 0.930 237 E CB -0.269 29.457 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 0.075 0.000 2.255 238 V HA -0.182 3.938 4.120 -0.000 0.000 0.243 238 V C 2.356 178.583 176.094 0.222 0.000 1.038 238 V CA 1.818 64.214 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 0.137 0.000 1.903 239 A HA -0.227 4.093 4.320 -0.000 0.000 0.219 239 A C 2.372 180.035 177.584 0.131 0.000 1.191 239 A CA 2.438 54.553 52.037 0.131 0.000 0.638 239 A CB -1.459 17.585 19.000 0.074 0.000 0.823 239 A HN 0.591 nan 8.150 nan 0.000 0.451 240 G N -1.320 107.528 108.800 0.080 0.000 2.471 240 G HA2 0.099 4.059 3.960 -0.000 0.000 0.219 240 G HA3 0.099 4.059 3.960 -0.000 0.000 0.219 240 G C 1.566 176.482 174.900 0.026 0.000 1.125 240 G CA 1.306 46.434 45.100 0.046 0.000 0.775 240 G HN 0.842 nan 8.290 nan 0.000 0.548 241 A N 0.373 123.206 122.820 0.022 0.000 1.898 241 A HA 0.305 4.625 4.320 -0.000 0.000 0.214 241 A C 1.629 179.088 177.584 -0.208 0.000 1.183 241 A CA 0.472 52.444 52.037 -0.108 0.000 0.622 241 A CB -0.296 18.609 19.000 -0.158 0.000 0.824 241 A HN 0.259 nan 8.150 nan 0.000 0.444 242 F N 0.589 120.539 119.950 0.001 0.000 2.695 242 F HA 0.157 4.684 4.527 -0.000 0.000 0.301 242 F C 1.348 177.151 175.800 0.006 0.000 1.182 242 F CA 0.200 58.201 58.000 0.002 0.000 1.412 242 F CB 0.140 39.138 39.000 -0.002 0.000 1.056 242 F HN 0.223 nan 8.300 nan 0.000 0.522 243 N N -0.308 118.456 118.700 0.106 0.000 2.211 243 N HA 0.189 4.929 4.740 -0.000 0.000 0.216 243 N C 0.705 176.241 175.510 0.043 0.000 1.240 243 N CA 0.191 53.291 53.050 0.083 0.000 0.895 243 N CB 0.214 38.746 38.487 0.076 0.000 1.102 243 N HN 0.040 nan 8.380 nan 0.000 0.498 244 A N 1.205 124.032 122.820 0.011 0.000 2.561 244 A HA 0.385 4.705 4.320 -0.000 0.000 0.234 244 A C 0.639 178.225 177.584 0.003 0.000 1.055 244 A CA 0.159 52.195 52.037 -0.001 0.000 0.756 244 A CB 0.004 18.983 19.000 -0.035 0.000 0.986 244 A HN 0.252 nan 8.150 nan 0.000 0.505 245 A N 3.631 126.458 122.820 0.011 0.000 2.785 245 A HA 0.465 4.785 4.320 -0.000 0.000 0.294 245 A C 0.983 178.568 177.584 0.001 0.000 1.597 245 A CA 0.309 52.354 52.037 0.013 0.000 1.283 245 A CB -1.378 17.633 19.000 0.018 0.000 1.088 245 A HN 1.364 nan 8.150 nan 0.000 0.568 246 T N 0.928 115.479 114.554 -0.006 0.000 2.829 246 T HA 0.165 4.515 4.350 -0.000 0.000 0.293 246 T C 1.401 176.098 174.700 -0.006 0.000 0.970 246 T CA 0.141 62.231 62.100 -0.017 0.000 1.168 246 T CB 0.638 69.491 68.868 -0.026 0.000 0.911 246 T HN 1.047 nan 8.240 nan 0.000 0.535 247 S N 1.777 117.473 115.700 -0.007 0.000 2.440 247 S HA -0.188 4.282 4.470 -0.000 0.000 0.238 247 S C 1.457 176.056 174.600 -0.001 0.000 1.010 247 S CA 0.847 59.046 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 1.289 121.488 120.200 -0.002 0.000 2.046 248 E HA 0.088 4.438 4.350 -0.000 0.000 0.190 248 E C 0.759 177.362 176.600 0.005 0.000 0.982 248 E CA 1.067 57.467 56.400 0.001 0.000 0.800 248 E CB -0.193 29.507 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 1.145 177.248 176.094 0.016 0.000 1.047 249 V CA -0.478 61.830 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 3.942 112.751 108.800 0.015 0.000 3.824 250 G HA2 -0.306 3.654 3.960 -0.000 0.000 0.280 250 G HA3 -0.306 3.654 3.960 -0.000 0.000 0.280 250 G C 0.685 175.598 174.900 0.022 0.000 0.963 250 G CA 1.638 46.748 45.100 0.017 0.000 0.865 250 G HN 2.042 nan 8.290 nan 0.000 1.379 251 S N -1.482 114.235 115.700 0.029 0.000 2.652 251 S HA 0.467 4.937 4.470 -0.000 0.000 0.273 251 S C 1.043 175.674 174.600 0.051 0.000 1.172 251 S CA -0.140 58.084 58.200 0.039 0.000 1.009 251 S CB 0.693 63.916 63.200 0.038 0.000 1.094 251 S HN 0.478 nan 8.310 nan 0.000 0.471 252 L N 4.299 125.566 121.223 0.073 0.000 2.013 252 L HA -0.077 4.263 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 1.691 56.583 54.840 0.087 0.000 0.753 252 L CB -0.912 41.239 42.059 0.154 0.000 0.890 252 L HN 0.639 nan 8.230 nan 0.000 0.432 253 V N 0.380 120.341 119.914 0.079 0.000 2.490 253 V HA -0.170 3.950 4.120 -0.000 0.000 0.250 253 V C 2.170 178.289 176.094 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 31.418 31.823 0.064 0.000 0.670 253 V HN 0.502 nan 8.190 nan 0.000 0.461 254 G N -0.211 108.613 108.800 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 1.144 46.263 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 2.431 177.043 174.600 0.020 0.000 1.036 255 S CA 2.455 60.669 58.200 0.023 0.000 1.009 255 S CB -0.820 62.395 63.200 0.024 0.000 0.803 255 S HN 0.750 nan 8.310 nan 0.000 0.486 256 S N 2.644 118.358 115.700 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 1.491 59.700 58.200 0.015 0.000 0.996 256 S CB -1.207 62.001 63.200 0.013 0.000 0.882 256 S HN 0.890 nan 8.310 nan 0.000 0.445 257 S N 1.072 116.780 115.700 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 0.012 0.000 0.996 257 S CB -1.966 61.243 63.200 0.015 0.000 0.882 257 S HN 0.666 nan 8.310 nan 0.000 0.445 258 T N 0.909 115.472 114.554 0.015 0.000 2.896 258 T HA -0.048 4.302 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 1.490 63.599 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 1.157 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 -0.666 115.036 115.700 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 1.443 59.643 58.200 0.001 0.000 0.993 260 S CB -0.419 62.781 63.200 -0.001 0.000 0.808 260 S HN 0.367 nan 8.310 nan 0.000 0.478 261 Q N 2.793 122.597 119.800 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 2.391 58.199 55.803 0.007 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 0.580 123.405 122.820 0.008 0.000 1.908 262 A HA -0.158 4.162 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 1.693 53.735 52.037 0.008 0.000 0.627 262 A CB -0.909 18.097 19.000 0.010 0.000 0.818 262 A HN 0.523 nan 8.150 nan 0.000 0.445 263 I N -0.094 120.477 120.570 0.002 0.000 2.264 263 I HA -0.257 3.913 4.170 -0.000 0.000 0.248 263 I C 2.665 178.781 176.117 -0.002 0.000 1.111 263 I CA 1.373 62.672 61.300 -0.001 0.000 1.382 263 I CB -0.457 37.542 38.000 -0.002 0.000 1.060 263 I HN 0.266 nan 8.210 nan 0.000 0.418 264 S N 0.660 116.361 115.700 0.000 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 0.001 0.000 1.035 264 S CA 2.224 60.424 58.200 0.001 0.000 1.037 264 S CB -0.695 62.507 63.200 0.004 0.000 0.956 264 S HN 0.474 nan 8.310 nan 0.000 0.428 265 T N 3.138 117.694 114.554 0.003 0.000 2.597 265 T HA -0.172 4.178 4.350 -0.000 0.000 0.267 265 T C 1.862 176.557 174.700 -0.007 0.000 1.053 265 T CA 1.544 63.645 62.100 0.002 0.000 1.165 265 T CB -0.480 68.390 68.868 0.002 0.000 0.863 265 T HN 0.136 nan 8.240 nan 0.000 0.427 266 M N 1.102 120.695 119.600 -0.011 0.000 2.116 266 M HA -0.144 4.336 4.480 -0.000 0.000 0.255 266 M C 2.596 178.886 176.300 -0.016 0.000 1.075 266 M CA 1.902 57.191 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 -1.038 121.776 122.820 -0.009 0.000 1.943 267 A HA 0.274 4.594 4.320 -0.000 0.000 0.213 267 A C 2.179 179.761 177.584 -0.003 0.000 1.181 267 A CA 1.169 53.201 52.037 -0.008 0.000 0.653 267 A CB -1.076 17.919 19.000 -0.007 0.000 0.833 267 A HN 0.471 nan 8.150 nan 0.000 0.451 268 G N 0.374 109.175 108.800 0.001 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 1.127 46.232 45.100 0.008 0.000 0.861 268 G HN 0.346 nan 8.290 nan 0.000 0.598 269 K N -0.384 120.036 120.400 0.033 0.000 2.148 269 K HA -0.130 4.190 4.320 -0.000 0.000 0.213 269 K C 0.719 177.386 176.600 0.111 0.000 1.050 269 K CA 1.567 57.900 56.287 0.077 0.000 0.932 269 K CB -0.145 32.408 32.500 0.088 0.000 0.717 269 K HN 0.451 nan 8.250 nan 0.000 0.462 270 D N -2.910 117.531 120.400 0.069 0.000 2.812 270 D HA -0.093 4.547 4.640 -0.000 0.000 0.181 270 D C 0.075 176.414 176.300 0.065 0.000 1.008 270 D CA 0.043 54.080 54.000 0.062 0.000 0.830 270 D CB -1.236 39.580 40.800 0.027 0.000 0.934 270 D HN -0.099 nan 8.370 nan 0.000 0.437 271 L N 0.593 121.770 121.223 -0.077 0.000 2.083 271 L HA 0.039 4.379 4.340 -0.000 0.000 0.209 271 L C 1.300 178.123 176.870 -0.078 0.000 1.083 271 L CA 1.534 56.253 54.840 -0.202 0.000 0.752 271 L CB -0.916 41.050 42.059 -0.156 0.000 0.899 271 L HN 0.476 nan 8.230 nan 0.000 0.433 272 D N -0.022 120.357 120.400 -0.035 0.000 2.419 272 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 1.165 272 D CA 0.524 54.513 54.000 -0.020 0.000 0.882 272 D CB 0.402 41.191 40.800 -0.018 0.000 1.201 272 D HN 0.240 nan 8.370 nan 0.000 0.443 273 L N 1.986 123.210 121.223 0.002 0.000 4.351 273 L HA -0.238 4.102 4.340 -0.000 0.000 0.410 273 L C 0.490 177.392 176.870 0.053 0.000 1.150 273 L CA 0.912 55.758 54.840 0.011 0.000 0.961 273 L CB -2.142 39.910 42.059 -0.012 0.000 2.130 273 L HN 0.709 nan 8.230 nan 0.000 0.787 274 I N 0.296 120.908 120.570 0.071 0.000 2.493 274 I HA -0.163 4.007 4.170 -0.000 0.000 0.254 274 I C 1.510 177.717 176.117 0.151 0.000 1.160 274 I CA 2.158 63.552 61.300 0.157 0.000 1.445 274 I CB 0.114 38.153 38.000 0.065 0.000 1.086 274 I HN 0.621 nan 8.210 nan 0.000 0.433 275 E N 1.068 121.313 120.200 0.076 0.000 2.995 275 E HA 0.334 4.684 4.350 -0.000 0.000 0.203 275 E C 0.094 176.721 176.600 0.044 0.000 0.980 275 E CA -0.355 56.085 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 1.003 123.847 122.820 0.040 0.000 2.540 276 A HA -0.017 4.303 4.320 -0.000 0.000 0.239 276 A C 0.247 177.846 177.584 0.026 0.000 1.061 276 A CA 0.260 52.310 52.037 0.021 0.000 0.758 276 A CB 0.272 19.275 19.000 0.005 0.000 0.991 276 A HN 0.315 nan 8.150 nan 0.000 0.502 277 D N 1.735 122.147 120.400 0.019 0.000 2.564 277 D HA 0.392 5.032 4.640 -0.000 0.000 0.226 277 D C -0.177 176.134 176.300 0.018 0.000 1.149 277 D CA 0.798 54.811 54.000 0.021 0.000 0.994 277 D CB 0.102 40.913 40.800 0.019 0.000 1.029 277 D HN 0.780 nan 8.370 nan 0.000 0.517 278 T N -0.289 114.276 114.554 0.019 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 60.907 62.100 0.017 0.000 1.129 278 T CB 1.163 70.036 68.868 0.009 0.000 1.583 278 T HN -0.171 nan 8.240 nan 0.000 0.480 279 P HA 0.257 nan 4.420 nan 0.000 0.259 279 P C -0.950 176.366 177.300 0.027 0.000 1.155 279 P CA 0.325 63.442 63.100 0.029 0.000 0.759 279 P CB 0.075 31.790 31.700 0.024 0.000 0.753 280 L N 6.722 127.976 121.223 0.053 0.000 2.439 280 L HA 0.416 4.756 4.340 -0.000 0.000 0.270 280 L C -2.339 174.587 176.870 0.094 0.000 0.972 280 L CA -2.517 52.346 54.840 0.039 0.000 0.836 280 L CB 2.365 44.421 42.059 -0.005 0.000 1.255 280 L HN 0.142 nan 8.230 nan 0.000 0.404 281 P HA -0.036 nan 4.420 nan 0.000 0.264 281 P C 1.033 178.421 177.300 0.145 0.000 1.183 281 P CA -0.065 63.073 63.100 0.065 0.000 0.763 281 P CB 0.786 32.500 31.700 0.023 0.000 0.807 282 V N 2.766 122.773 119.914 0.155 0.000 2.453 282 V HA -0.293 3.827 4.120 -0.000 0.000 0.252 282 V C 2.329 178.560 176.094 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 0.735 nan 8.190 nan 0.000 0.461 283 S N 0.355 116.119 115.700 0.107 0.000 2.374 283 S HA -0.216 4.254 4.470 -0.000 0.000 0.227 283 S C 1.839 176.455 174.600 0.028 0.000 1.037 283 S CA 1.792 60.028 58.200 0.059 0.000 1.024 283 S CB -0.941 62.274 63.200 0.025 0.000 0.861 283 S HN 0.384 nan 8.310 nan 0.000 0.456 284 V N 0.326 120.217 119.914 -0.038 0.000 3.140 284 V HA -0.054 4.066 4.120 -0.000 0.000 0.269 284 V C 1.381 177.242 176.094 -0.388 0.000 1.149 284 V CA 1.385 63.550 62.300 -0.225 0.000 1.162 284 V CB -1.299 30.305 31.823 -0.366 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 -0.118 0.000 2.653 285 F HA 0.155 4.682 4.527 -0.000 0.000 0.304 285 F C 1.565 177.337 175.800 -0.047 0.000 1.092 285 F CA 0.336 58.245 58.000 -0.151 0.000 1.279 285 F CB -0.507 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 0.513 115.137 114.554 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 -0.420 61.731 62.100 0.084 0.000 1.981 286 T CB -2.020 66.886 68.868 0.064 0.000 1.714 286 T HN 0.132 nan 8.240 nan 0.000 0.632 287 P HA 0.408 nan 4.420 nan 0.000 0.270 287 P C -0.136 177.181 177.300 0.029 0.000 1.242 287 P CA -0.046 63.084 63.100 0.050 0.000 0.768 287 P CB 0.972 32.685 31.700 0.023 0.000 0.820 288 S N 2.953 118.668 115.700 0.024 0.000 2.618 288 S HA 0.416 4.886 4.470 -0.000 0.000 0.277 288 S C 0.008 174.611 174.600 0.005 0.000 1.138 288 S CA -0.982 57.226 58.200 0.013 0.000 0.844 288 S CB 1.324 64.535 63.200 0.018 0.000 1.127 288 S HN 0.377 nan 8.310 nan 0.000 0.474 289 L N -0.297 120.924 121.223 -0.003 0.000 3.833 289 L HA -0.130 4.210 4.340 -0.000 0.000 0.447 289 L C 0.151 177.011 176.870 -0.016 0.000 1.213 289 L CA 1.375 56.210 54.840 -0.009 0.000 0.801 289 L CB -1.669 40.388 42.059 -0.004 0.000 1.676 289 L HN 1.279 nan 8.230 nan 0.000 0.883 290 A N 2.447 125.253 122.820 -0.023 0.000 3.047 290 A HA 0.822 5.142 4.320 -0.000 0.000 0.337 290 A C -2.385 175.165 177.584 -0.056 0.000 1.143 290 A CA -0.438 51.579 52.037 -0.034 0.000 0.905 290 A CB 0.252 19.236 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 0.210 291 P C -0.632 176.578 177.300 -0.149 0.000 1.801 291 P CA -0.345 62.693 63.100 -0.104 0.000 1.276 291 P CB 0.703 32.349 31.700 -0.090 0.000 1.572 292 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 0.800 176.783 176.300 -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 30.842 30.300 -0.187 0.000 1.018 292 R HN 0.430 nan 8.270 nan 0.000 0.483 293 S N 1.451 116.848 115.700 -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 -0.603 0.000 1.091 293 S CA -0.763 57.085 58.200 -0.587 0.000 1.032 293 S CB 0.990 64.024 63.200 -0.276 0.000 1.064 293 S HN 0.479 nan 8.310 nan 0.000 0.508 294 Y N 0.466 120.785 120.300 0.033 0.000 3.258 294 Y HA 0.704 5.254 4.550 -0.000 0.000 0.311 294 Y C 0.820 176.768 175.900 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 39.343 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 0.211 4.551 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 -1.172 55.060 56.100 0.220 0.000 1.435 295 R CB 0.769 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 0.463 177.650 177.300 -0.189 0.000 1.274 296 P CA 0.592 63.681 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 -3.204 119.506 122.820 -0.184 0.000 2.945 297 A HA -0.224 4.096 4.320 -0.000 0.000 0.263 297 A C 0.676 178.069 177.584 -0.320 0.000 1.293 297 A CA 1.688 53.560 52.037 -0.274 0.000 0.944 297 A CB -2.654 16.113 19.000 -0.388 0.000 1.093 297 A HN 0.392 nan 8.150 nan 0.000 0.786 298 F N -2.136 117.788 119.950 -0.043 0.000 2.533 298 F HA 0.349 4.876 4.527 -0.000 0.000 0.313 298 F C 0.889 176.644 175.800 -0.075 0.000 0.834 298 F CA -0.366 57.609 58.000 -0.041 0.000 1.061 298 F CB -0.098 38.894 39.000 -0.014 0.000 0.915 298 F HN 0.143 nan 8.300 nan 0.000 0.693 299 I N 2.821 123.436 120.570 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 0.365 61.621 61.300 -0.073 0.000 1.404 299 I CB -0.039 37.817 38.000 -0.242 0.000 1.389 299 I HN -0.083 nan 8.210 nan 0.000 0.549 300 K N 9.018 129.358 120.400 -0.101 0.000 2.436 300 K HA 0.040 4.360 4.320 -0.000 0.000 0.275 300 K C -1.141 175.348 176.600 -0.185 0.000 0.999 300 K CA -1.012 55.207 56.287 -0.113 0.000 0.980 300 K CB 0.603 33.054 32.500 -0.081 0.000 0.919 300 K HN 0.378 nan 8.250 nan 0.000 0.484 301 P HA -0.246 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 0.158 31.748 31.700 -0.183 0.000 0.786 302 E N 0.114 120.228 120.200 -0.142 0.000 2.358 302 E HA -0.137 4.213 4.350 -0.000 0.000 0.195 302 E C 0.831 177.363 176.600 -0.113 0.000 1.010 302 E CA 0.842 57.173 56.400 -0.115 0.000 0.856 302 E CB -0.830 28.820 29.700 -0.084 0.000 0.795 302 E HN 0.183 nan 8.360 nan 0.000 0.504 303 D N 1.141 121.464 120.400 -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 0.686 41.431 40.800 -0.091 0.000 0.906 303 D HN 0.277 nan 8.370 nan 0.000 0.528 304 A N 0.647 123.339 122.820 -0.212 0.000 2.480 304 A HA 0.105 4.425 4.320 -0.000 0.000 0.302 304 A C 0.992 178.347 177.584 -0.382 0.000 1.151 304 A CA -0.609 51.269 52.037 -0.265 0.000 0.907 304 A CB 0.670 19.429 19.000 -0.402 0.000 1.487 304 A HN -0.274 nan 8.150 nan 0.000 0.396 305 K N 1.594 121.894 120.400 -0.166 0.000 2.184 305 K HA -0.189 4.131 4.320 -0.000 0.000 0.210 305 K C 1.401 177.944 176.600 -0.095 0.000 1.048 305 K CA 2.247 58.467 56.287 -0.112 0.000 0.931 305 K CB -0.208 32.271 32.500 -0.035 0.000 0.718 305 K HN 1.012 nan 8.250 nan 0.000 0.465 306 W N 0.846 122.104 121.300 -0.071 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 56.944 57.345 -0.062 0.000 1.638 306 W CB -0.970 28.453 29.460 -0.062 0.000 1.015 306 W HN -0.072 nan 8.180 nan 0.000 0.760 307 I N 1.426 121.743 120.570 -0.422 0.000 2.606 307 I HA 0.496 4.666 4.170 -0.000 0.000 0.275 307 I C -0.750 175.176 176.117 -0.319 0.000 1.220 307 I CA -0.272 60.761 61.300 -0.445 0.000 1.098 307 I CB 0.637 38.082 38.000 -0.926 0.000 1.321 307 I HN -0.073 nan 8.210 nan 0.000 0.468 308 A N 5.587 128.280 122.820 -0.213 0.000 2.264 308 A HA 0.819 5.139 4.320 -0.000 0.000 0.304 308 A C -0.541 176.802 177.584 -0.401 0.000 1.100 308 A CA -0.386 51.483 52.037 -0.280 0.000 0.839 308 A CB 0.951 19.800 19.000 -0.252 0.000 1.121 308 A HN 0.764 nan 8.150 nan 0.000 0.496 309 E N -0.420 119.543 120.200 -0.396 0.000 2.288 309 E HA 0.559 4.909 4.350 -0.000 0.000 0.268 309 E C -1.613 174.748 176.600 -0.399 0.000 0.885 309 E CA -0.622 55.558 56.400 -0.367 0.000 0.767 309 E CB 1.056 30.643 29.700 -0.188 0.000 1.220 309 E HN 0.305 nan 8.360 nan 0.000 0.427 310 F N 2.096 121.922 119.950 -0.207 0.000 2.666 310 F HA 0.140 4.667 4.527 -0.000 0.000 0.362 310 F C 0.089 175.813 175.800 -0.127 0.000 1.190 310 F CA -0.713 57.177 58.000 -0.183 0.000 1.328 310 F CB -0.855 38.046 39.000 -0.165 0.000 1.682 310 F HN 0.437 nan 8.300 nan 0.000 0.623 311 N N 1.621 120.322 118.700 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 -0.431 52.616 53.050 -0.005 0.000 1.029 311 N CB -0.123 38.341 38.487 -0.038 0.000 1.403 311 N HN 0.343 nan 8.380 nan 0.000 0.500 312 N N 0.681 119.391 118.700 0.016 0.000 2.292 312 N HA 0.224 4.964 4.740 -0.000 0.000 0.303 312 N C -0.206 175.297 175.510 -0.011 0.000 1.140 312 N CA -0.759 52.292 53.050 0.001 0.000 0.788 312 N CB 1.784 40.273 38.487 0.004 0.000 1.361 312 N HN 0.158 nan 8.380 nan 0.000 0.489 313 S N 1.044 116.734 115.700 -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 -0.554 62.636 63.200 -0.017 0.000 1.130 313 S HN 0.904 nan 8.310 nan 0.000 0.413 314 S N 1.915 117.594 115.700 -0.036 0.000 2.546 314 S HA 0.484 4.954 4.470 -0.000 0.000 0.265 314 S C 0.285 174.844 174.600 -0.069 0.000 1.190 314 S CA -0.863 57.306 58.200 -0.053 0.000 1.014 314 S CB -0.409 62.759 63.200 -0.054 0.000 1.087 314 S HN 0.364 nan 8.310 nan 0.000 0.525 315 L N -0.262 120.907 121.223 -0.090 0.000 2.439 315 L HA 0.526 4.866 4.340 -0.000 0.000 0.259 315 L C -0.207 176.599 176.870 -0.106 0.000 1.129 315 L CA -0.713 54.064 54.840 -0.105 0.000 0.803 315 L CB 0.081 42.067 42.059 -0.123 0.000 1.161 315 L HN 0.585 nan 8.230 nan 0.000 0.462 316 I N 0.917 121.408 120.570 -0.131 0.000 2.976 316 I HA 0.257 4.427 4.170 -0.000 0.000 0.328 316 I C -0.154 175.884 176.117 -0.132 0.000 1.396 316 I CA -0.378 60.837 61.300 -0.141 0.000 0.869 316 I CB 0.153 38.026 38.000 -0.210 0.000 2.156 316 I HN 0.565 nan 8.210 nan 0.000 0.595 317 R N 2.449 122.890 120.500 -0.098 0.000 2.446 317 R HA 0.161 4.501 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 0.161 56.216 56.100 -0.074 0.000 1.018 317 R CB 0.454 30.720 30.300 -0.057 0.000 0.945 317 R HN 0.191 nan 8.270 nan 0.000 0.419 318 K N 1.299 121.667 120.400 -0.054 0.000 2.316 318 K HA 0.437 4.757 4.320 -0.000 0.000 0.234 318 K C -0.653 175.944 176.600 -0.004 0.000 1.054 318 K CA -0.501 55.765 56.287 -0.034 0.000 0.879 318 K CB 1.576 34.048 32.500 -0.047 0.000 1.252 318 K HN 0.561 nan 8.250 nan 0.000 0.471 319 T N -0.445 114.115 114.554 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 0.659 nan 8.240 nan 0.000 0.518 320 L N -2.114 119.152 121.223 0.073 0.000 2.787 320 L HA 0.543 4.883 4.340 -0.000 0.000 0.260 320 L C -1.348 175.594 176.870 0.120 0.000 0.921 320 L CA -0.941 53.955 54.840 0.094 0.000 0.984 320 L CB 1.467 43.593 42.059 0.113 0.000 1.519 320 L HN 0.629 nan 8.230 nan 0.000 0.452 321 T N 3.427 118.032 114.554 0.085 0.000 2.775 321 T HA 0.256 4.606 4.350 -0.000 0.000 0.287 321 T C -0.877 173.911 174.700 0.148 0.000 0.909 321 T CA 0.427 62.564 62.100 0.061 0.000 1.081 321 T CB -0.452 68.425 68.868 0.015 0.000 0.891 321 T HN 0.467 nan 8.240 nan 0.000 0.544 322 Y N 3.776 124.133 120.300 0.095 0.000 2.388 322 Y HA 0.436 4.986 4.550 -0.000 0.000 0.328 322 Y C 0.591 176.590 175.900 0.164 0.000 0.963 322 Y CA -1.042 57.158 58.100 0.166 0.000 1.240 322 Y CB 0.626 39.257 38.460 0.286 0.000 1.118 322 Y HN 0.667 nan 8.280 nan 0.000 0.484 323 S N 4.203 119.618 115.700 -0.474 0.000 3.858 323 S HA -0.139 4.331 4.470 -0.000 0.000 0.356 323 S C 1.053 175.522 174.600 -0.219 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 0.859 109.577 108.800 -0.137 0.000 5.426 324 G HA2 -0.081 3.879 3.960 -0.000 0.000 0.297 324 G HA3 -0.081 3.879 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 0.870 123.582 122.820 -0.181 0.000 2.603 325 A HA 0.453 4.773 4.320 -0.000 0.000 0.235 325 A C 0.710 177.994 177.584 -0.500 0.000 1.035 325 A CA 1.881 53.711 52.037 -0.344 0.000 0.755 325 A CB -0.069 18.679 19.000 -0.419 0.000 0.954 325 A HN 1.279 nan 8.150 nan 0.000 0.511 326 T N 3.328 117.608 114.554 -0.456 0.000 2.733 326 T HA 0.524 4.874 4.350 -0.000 0.000 0.294 326 T C -0.783 173.679 174.700 -0.397 0.000 0.956 326 T CA 0.359 62.270 62.100 -0.314 0.000 0.987 326 T CB -0.048 68.737 68.868 -0.139 0.000 0.920 326 T HN 0.421 nan 8.240 nan 0.000 0.470 327 Y N 0.978 121.330 120.300 0.086 0.000 2.567 327 Y HA 0.665 5.215 4.550 -0.000 0.000 0.333 327 Y C 1.001 176.929 175.900 0.047 0.000 1.106 327 Y CA -1.285 56.862 58.100 0.078 0.000 1.157 327 Y CB 1.123 39.646 38.460 0.106 0.000 1.277 327 Y HN 0.666 nan 8.280 nan 0.000 0.490 328 T N 0.903 115.589 114.554 0.220 0.000 2.833 328 T HA 0.602 4.952 4.350 -0.000 0.000 0.297 328 T C -0.650 174.096 174.700 0.076 0.000 1.015 328 T CA -0.691 61.472 62.100 0.104 0.000 0.963 328 T CB -0.083 68.820 68.868 0.059 0.000 0.955 328 T HN 0.394 nan 8.240 nan 0.000 0.449 329 V N 3.808 123.745 119.914 0.039 0.000 2.715 329 V HA 0.119 4.239 4.120 -0.000 0.000 0.299 329 V C 1.209 177.280 176.094 -0.039 0.000 1.054 329 V CA -0.256 62.042 62.300 -0.003 0.000 1.077 329 V CB 1.519 33.321 31.823 -0.035 0.000 0.972 329 V HN 1.023 nan 8.190 nan 0.000 0.484 330 Q N 1.902 121.675 119.800 -0.046 0.000 2.252 330 Q HA 0.182 4.522 4.340 -0.000 0.000 0.195 330 Q C 0.521 176.444 176.000 -0.128 0.000 0.974 330 Q CA 0.376 56.135 55.803 -0.074 0.000 0.846 330 Q CB 0.124 28.830 28.738 -0.053 0.000 0.943 330 Q HN 0.626 nan 8.270 nan 0.000 0.516 331 L N 0.030 121.171 121.223 -0.137 0.000 3.730 331 L HA -0.206 4.134 4.340 -0.000 0.000 0.410 331 L C 0.738 177.534 176.870 -0.124 0.000 1.234 331 L CA 0.564 55.291 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 1.406 178.707 177.300 0.001 0.000 1.161 333 P CA 1.963 65.049 63.100 -0.024 0.000 0.909 333 P CB -0.415 31.296 31.700 0.018 0.000 0.793 334 G N -0.281 108.525 108.800 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 -0.709 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 0.072 nan 4.420 nan 0.000 0.229 335 P C 0.272 177.597 177.300 0.040 0.000 1.160 335 P CA 1.344 64.455 63.100 0.017 0.000 0.777 335 P CB -0.006 31.690 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 -0.117 174.605 174.700 0.037 0.000 0.789 336 T CA 0.006 62.132 62.100 0.044 0.000 2.526 336 T CB -2.072 66.847 68.868 0.085 0.000 1.658 336 T HN 0.269 nan 8.240 nan 0.000 0.523 337 R N 1.114 121.591 120.500 -0.040 0.000 2.449 337 R HA 0.462 4.802 4.340 -0.000 0.000 0.296 337 R C 0.890 177.143 176.300 -0.078 0.000 1.047 337 R CA -0.411 55.627 56.100 -0.103 0.000 1.018 337 R CB 0.707 30.930 30.300 -0.129 0.000 0.962 337 R HN 0.687 nan 8.270 nan 0.000 0.428 338 V N 0.724 120.568 119.914 -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 3.343 123.989 120.570 0.126 0.000 2.662 339 I HA 0.094 4.264 4.170 -0.000 0.000 0.285 339 I C 0.656 176.888 176.117 0.191 0.000 1.161 339 I CA 0.549 61.973 61.300 0.207 0.000 1.415 339 I CB 0.019 38.220 38.000 0.336 0.000 1.385 339 I HN 0.726 nan 8.210 nan 0.000 0.552 340 D N 6.005 126.509 120.400 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 -0.131 53.957 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 1.134 120.577 119.600 -0.261 0.000 2.447 341 M HA 0.029 4.509 4.480 -0.000 0.000 0.266 341 M C 0.429 176.521 176.300 -0.346 0.000 1.120 341 M CA 0.395 55.405 55.300 -0.483 0.000 1.166 341 M CB -0.750 31.604 32.600 -0.410 0.000 1.349 341 M HN 0.230 nan 8.290 nan 0.000 0.463 342 N N 1.384 119.987 118.700 -0.161 0.000 2.444 342 N HA 0.273 5.013 4.740 -0.000 0.000 0.255 342 N C 0.345 175.856 175.510 0.002 0.000 1.255 342 N CA 0.594 53.627 53.050 -0.029 0.000 0.933 342 N CB 0.463 38.930 38.487 -0.032 0.000 1.143 342 N HN 0.273 nan 8.380 nan 0.000 0.453 343 A N 1.069 123.924 122.820 0.058 0.000 2.546 343 A HA -0.157 4.163 4.320 -0.000 0.000 0.295 343 A C 0.178 177.811 177.584 0.081 0.000 1.455 343 A CA 0.469 52.556 52.037 0.084 0.000 0.730 343 A CB -1.415 17.644 19.000 0.097 0.000 1.111 343 A HN 0.526 nan 8.150 nan 0.000 0.411 344 M N 0.881 120.528 119.600 0.077 0.000 5.138 344 M HA 0.169 4.649 4.480 -0.000 0.000 0.619 344 M C 0.316 176.749 176.300 0.221 0.000 2.259 344 M CA 0.111 55.430 55.300 0.032 0.000 0.432 344 M CB -0.145 32.282 32.600 -0.288 0.000 1.469 344 M HN 1.182 nan 8.290 nan 0.000 0.661 345 I N 2.077 122.751 120.570 0.172 0.000 2.755 345 I HA -0.236 3.934 4.170 -0.000 0.000 0.138 345 I C -0.022 176.205 176.117 0.182 0.000 0.888 345 I CA 0.353 61.738 61.300 0.141 0.000 2.763 345 I CB -0.791 37.238 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 -0.029 4.611 4.640 -0.000 0.000 0.245 346 D C 0.502 176.829 176.300 0.045 0.000 1.474 346 D CA 0.905 54.896 54.000 -0.015 0.000 0.960 346 D CB -0.102 40.584 40.800 -0.189 0.000 1.280 346 D HN 0.775 nan 8.370 nan 0.000 0.716 347 S N 0.771 116.554 115.700 0.138 0.000 2.694 347 S HA 0.694 5.164 4.470 -0.000 0.000 0.286 347 S C -0.063 174.561 174.600 0.040 0.000 1.080 347 S CA -0.996 57.239 58.200 0.059 0.000 0.953 347 S CB 1.293 64.514 63.200 0.035 0.000 1.313 347 S HN 0.246 nan 8.310 nan 0.000 0.555 348 V N 1.577 121.490 119.914 -0.002 0.000 2.320 348 V HA 0.383 4.503 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 0.193 31.996 31.823 -0.033 0.000 1.054 348 V HN 0.629 nan 8.190 nan 0.000 0.444 349 L N 3.236 124.410 121.223 -0.082 0.000 2.418 349 L HA 0.389 4.729 4.340 -0.000 0.000 0.274 349 L C 0.778 177.498 176.870 -0.250 0.000 1.135 349 L CA 0.994 55.725 54.840 -0.182 0.000 0.870 349 L CB 1.174 43.078 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 -0.815 173.724 174.700 -0.268 0.000 1.161 350 T CA -0.651 61.311 62.100 -0.230 0.000 1.155 350 T CB 0.043 68.814 68.868 -0.161 0.000 1.060 350 T HN 0.304 nan 8.240 nan 0.000 0.513 351 L N 5.807 126.863 121.223 -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 0.328 42.306 42.059 -0.135 0.000 1.207 351 L HN 0.580 nan 8.230 nan 0.000 0.454 352 D N 4.555 124.816 120.400 -0.231 0.000 2.256 352 D HA 0.183 4.823 4.640 -0.000 0.000 0.250 352 D C -1.093 175.192 176.300 -0.024 0.000 1.093 352 D CA -0.308 53.583 54.000 -0.182 0.000 0.882 352 D CB 1.640 42.211 40.800 -0.382 0.000 1.185 352 D HN 0.357 nan 8.370 nan 0.000 0.437 353 V N 3.762 123.725 119.914 0.081 0.000 2.276 353 V HA 0.272 4.392 4.120 -0.000 0.000 0.268 353 V C -0.130 176.070 176.094 0.176 0.000 1.032 353 V CA -0.574 61.762 62.300 0.060 0.000 0.810 353 V CB 0.386 32.246 31.823 0.062 0.000 1.060 353 V HN 0.630 nan 8.190 nan 0.000 0.446 354 S N 1.841 117.611 115.700 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 1.875 nan 8.310 nan 0.000 0.476 355 G N 1.353 110.229 108.800 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 0.559 45.711 45.100 0.086 0.000 0.626 355 G HN 1.168 nan 8.290 nan 0.000 0.540 356 T N 2.143 116.715 114.554 0.029 0.000 2.913 356 T HA 0.483 4.833 4.350 -0.000 0.000 0.297 356 T C 1.145 175.817 174.700 -0.046 0.000 1.029 356 T CA -0.548 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 3.118 123.672 120.570 -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 0.180 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 8.498 129.762 121.223 0.070 0.000 2.490 358 L HA 0.409 4.749 4.340 -0.000 0.000 0.261 358 L C -2.302 174.584 176.870 0.026 0.000 1.232 358 L CA -1.047 53.894 54.840 0.167 0.000 0.892 358 L CB 1.338 43.703 42.059 0.510 0.000 1.085 358 L HN 0.257 nan 8.230 nan 0.000 0.491 359 P HA -0.030 nan 4.420 nan 0.000 0.249 359 P C 0.617 178.044 177.300 0.211 0.000 1.686 359 P CA 0.189 63.352 63.100 0.105 0.000 0.873 359 P CB -0.883 30.856 31.700 0.065 0.000 1.828 360 Y N -0.171 120.174 120.300 0.075 0.000 2.639 360 Y HA -0.103 4.447 4.550 -0.000 0.000 0.297 360 Y C 1.673 177.596 175.900 0.039 0.000 1.151 360 Y CA -0.220 57.911 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 1.862 122.589 120.400 0.544 0.000 2.097 361 D HA -0.178 4.462 4.640 -0.000 0.000 0.197 361 D C 1.586 177.942 176.300 0.094 0.000 0.984 361 D CA 1.998 56.121 54.000 0.206 0.000 0.826 361 D CB -0.636 40.307 40.800 0.238 0.000 0.973 361 D HN 0.492 nan 8.370 nan 0.000 0.460 362 T N 1.061 115.679 114.554 0.107 0.000 2.849 362 T HA -0.113 4.237 4.350 -0.000 0.000 0.230 362 T C 1.157 175.889 174.700 0.053 0.000 1.071 362 T CA 0.333 62.471 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 0.247 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 -1.276 51.799 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 0.777 178.093 177.300 0.027 0.000 1.148 364 P CA 0.719 63.829 63.100 0.015 0.000 0.779 364 P CB 0.399 32.097 31.700 -0.003 0.000 0.780 365 D N 0.045 120.456 120.400 0.018 0.000 2.149 365 D HA -0.165 4.475 4.640 -0.000 0.000 0.198 365 D C 1.870 178.171 176.300 0.002 0.000 0.990 365 D CA 0.755 54.761 54.000 0.010 0.000 0.839 365 D CB -0.706 40.090 40.800 -0.007 0.000 0.948 365 D HN -0.011 nan 8.370 nan 0.000 0.460 366 L N 0.389 121.594 121.223 -0.030 0.000 2.017 366 L HA -0.022 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 1.002 55.773 54.840 -0.114 0.000 0.745 366 L CB -0.912 41.038 42.059 -0.182 0.000 0.894 366 L HN -0.087 nan 8.230 nan 0.000 0.432 367 S N -1.684 114.117 115.700 0.169 0.000 2.576 367 S HA 0.172 4.642 4.470 -0.000 0.000 0.272 367 S C 1.023 175.726 174.600 0.173 0.000 1.352 367 S CA 0.680 59.025 58.200 0.242 0.000 1.021 367 S CB 0.301 63.605 63.200 0.174 0.000 0.887 367 S HN 0.632 nan 8.310 nan 0.000 0.542 368 T N 0.516 115.177 114.554 0.179 0.000 7.990 368 T HA -0.190 4.160 4.350 -0.000 0.000 0.305 368 T C 0.183 174.991 174.700 0.180 0.000 2.080 368 T CA 1.399 63.591 62.100 0.154 0.000 3.423 368 T CB -2.086 66.860 68.868 0.129 0.000 1.630 368 T HN 1.293 nan 8.240 nan 0.000 0.911 369 S N 2.664 118.496 115.700 0.219 0.000 2.439 369 S HA 0.574 5.044 4.470 -0.000 0.000 0.282 369 S C 0.415 175.109 174.600 0.157 0.000 1.170 369 S CA -0.285 58.043 58.200 0.214 0.000 1.054 369 S CB 1.107 64.501 63.200 0.323 0.000 0.956 369 S HN 1.117 nan 8.310 nan 0.000 0.490 370 V N 1.785 121.664 119.914 -0.059 0.000 2.446 370 V HA 0.433 4.553 4.120 -0.000 0.000 0.276 370 V C -2.120 173.858 176.094 -0.195 0.000 1.030 370 V CA -1.974 60.255 62.300 -0.117 0.000 1.033 370 V CB -0.335 31.400 31.823 -0.147 0.000 0.993 370 V HN 0.793 nan 8.190 nan 0.000 0.477 371 P HA 0.454 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 0.245 63.100 63.100 -0.408 0.000 0.771 371 P CB 1.390 32.855 31.700 -0.391 0.000 0.858 372 A N 3.390 126.094 122.820 -0.192 0.000 2.555 372 A HA 0.434 4.754 4.320 -0.000 0.000 0.297 372 A C -1.359 176.198 177.584 -0.044 0.000 1.060 372 A CA -0.648 51.316 52.037 -0.122 0.000 0.710 372 A CB 0.632 19.487 19.000 -0.242 0.000 1.282 372 A HN 0.406 nan 8.150 nan 0.000 0.399 373 F N 3.032 122.926 119.950 -0.094 0.000 2.506 373 F HA 0.479 5.006 4.527 -0.000 0.000 0.371 373 F C 0.331 176.105 175.800 -0.044 0.000 1.078 373 F CA 0.485 58.456 58.000 -0.048 0.000 1.195 373 F CB 1.087 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 7.327 126.877 119.914 -0.608 0.000 2.638 374 V HA 0.587 4.707 4.120 -0.000 0.000 0.306 374 V C -1.244 174.590 176.094 -0.434 0.000 1.052 374 V CA -0.950 61.117 62.300 -0.390 0.000 0.885 374 V CB 1.568 33.264 31.823 -0.213 0.000 0.999 374 V HN 0.706 nan 8.190 nan 0.000 0.424 375 L N 5.796 126.881 121.223 -0.229 0.000 2.453 375 L HA 0.586 4.926 4.340 -0.000 0.000 0.261 375 L C -0.010 176.848 176.870 -0.020 0.000 1.179 375 L CA 0.293 55.067 54.840 -0.110 0.000 0.813 375 L CB 1.134 43.194 42.059 0.001 0.000 1.110 375 L HN 0.648 nan 8.230 nan 0.000 0.466 376 I N 2.239 122.851 120.570 0.070 0.000 2.540 376 I HA 0.213 4.383 4.170 -0.000 0.000 0.280 376 I C -0.668 175.576 176.117 0.211 0.000 1.083 376 I CA -0.456 60.933 61.300 0.148 0.000 1.080 376 I CB 1.539 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 5.779 125.663 119.800 0.141 0.000 2.294 377 Q HA 0.389 4.729 4.340 -0.000 0.000 0.257 377 Q C -0.535 175.582 176.000 0.195 0.000 0.955 377 Q CA -0.336 55.550 55.803 0.139 0.000 0.936 377 Q CB 1.127 29.915 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 0.664 175.523 174.700 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 0.900 116.710 115.700 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 58.484 58.200 0.182 0.000 0.991 379 S CB -0.259 63.006 63.200 0.108 0.000 0.980 379 S HN 0.654 nan 8.310 nan 0.000 0.433 380 V N 4.569 124.520 119.914 0.061 0.000 2.843 380 V HA 0.124 4.244 4.120 -0.000 0.000 0.305 380 V C -2.259 173.647 176.094 -0.314 0.000 1.065 380 V CA -1.544 60.714 62.300 -0.071 0.000 1.116 380 V CB 0.348 32.142 31.823 -0.049 0.000 0.968 380 V HN 0.261 nan 8.190 nan 0.000 0.487 381 P HA 0.074 nan 4.420 nan 0.000 0.265 381 P C 0.213 177.270 177.300 -0.406 0.000 1.187 381 P CA 0.142 62.563 63.100 -1.131 0.000 0.766 381 P CB 0.410 31.574 31.700 -0.893 0.000 0.820 382 I N 2.113 122.529 120.570 -0.258 0.000 3.427 382 I HA -0.186 3.984 4.170 -0.000 0.000 0.272 382 I C 0.690 176.634 176.117 -0.288 0.000 1.285 382 I CA 0.392 61.473 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 2.171 121.814 119.800 -0.262 0.000 2.494 383 Q HA -0.303 4.037 4.340 -0.000 0.000 0.272 383 Q C 0.183 176.110 176.000 -0.121 0.000 1.145 383 Q CA 1.116 56.816 55.803 -0.173 0.000 0.943 383 Q CB -1.168 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 1.469 384 Q HA 0.103 4.443 4.340 -0.000 0.000 0.142 384 Q C -1.068 174.903 176.000 -0.049 0.000 0.735 384 Q CA 0.458 56.214 55.803 -0.078 0.000 0.682 384 Q CB 0.783 29.455 28.738 -0.109 0.000 1.162 384 Q HN 0.283 nan 8.270 nan 0.000 0.341 385 V N 1.838 121.740 119.914 -0.019 0.000 2.339 385 V HA 0.352 4.472 4.120 -0.000 0.000 0.261 385 V C 0.536 176.651 176.094 0.036 0.000 1.058 385 V CA 0.777 63.098 62.300 0.035 0.000 0.897 385 V CB 1.019 32.924 31.823 0.137 0.000 1.052 385 V HN 0.424 nan 8.190 nan 0.000 0.480 386 T N 4.518 119.074 114.554 0.005 0.000 2.755 386 T HA 0.079 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 1.471 63.566 62.100 -0.009 0.000 1.154 386 T CB -0.035 68.825 68.868 -0.013 0.000 0.866 386 T HN 0.881 nan 8.240 nan 0.000 0.416 387 T N -1.531 113.009 114.554 -0.024 0.000 2.916 387 T HA 0.748 5.098 4.350 -0.000 0.000 0.292 387 T C 1.367 176.045 174.700 -0.036 0.000 1.055 387 T CA -0.248 61.829 62.100 -0.037 0.000 1.009 387 T CB 1.740 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 1.611 124.401 122.820 -0.050 0.000 1.968 388 A HA -0.229 4.091 4.320 -0.000 0.000 0.227 388 A C 2.506 180.078 177.584 -0.020 0.000 1.381 388 A CA 3.137 55.147 52.037 -0.044 0.000 0.697 388 A CB -1.712 17.263 19.000 -0.041 0.000 0.836 388 A HN 1.718 nan 8.150 nan 0.000 0.497 389 A N -1.292 121.521 122.820 -0.011 0.000 2.178 389 A HA -0.169 4.151 4.320 -0.000 0.000 0.218 389 A C 1.831 179.423 177.584 0.013 0.000 1.157 389 A CA 1.644 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 -0.702 118.006 118.700 0.012 0.000 2.290 390 N HA 0.088 4.828 4.740 -0.000 0.000 0.179 390 N C 0.001 175.544 175.510 0.055 0.000 1.016 390 N CA 0.032 53.100 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 2.018 122.613 120.570 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 0.061 0.000 1.123 391 I CA -0.195 61.142 61.300 0.061 0.000 1.336 391 I CB 0.879 38.886 38.000 0.011 0.000 1.430 391 I HN 0.167 nan 8.210 nan 0.000 0.533 392 T N 5.084 119.689 114.554 0.086 0.000 2.505 392 T HA -0.183 4.167 4.350 -0.000 0.000 0.259 392 T C 0.751 175.485 174.700 0.057 0.000 1.158 392 T CA 1.863 64.006 62.100 0.072 0.000 1.190 392 T CB 0.066 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 0.767 5.087 4.320 -0.000 0.000 0.289 393 A C -1.695 175.922 177.584 0.054 0.000 1.151 393 A CA -0.757 51.311 52.037 0.053 0.000 0.695 393 A CB 1.362 20.392 19.000 0.050 0.000 1.290 393 A HN 0.371 nan 8.150 nan 0.000 0.419 394 I N 1.017 121.614 120.570 0.045 0.000 2.529 394 I HA 0.307 4.477 4.170 -0.000 0.000 0.284 394 I C -0.759 175.379 176.117 0.036 0.000 1.088 394 I CA -0.172 61.148 61.300 0.034 0.000 1.062 394 I CB 2.362 40.372 38.000 0.018 0.000 1.218 394 I HN 0.563 nan 8.210 nan 0.000 0.442 395 T N 5.330 119.901 114.554 0.027 0.000 2.767 395 T HA 0.291 4.641 4.350 -0.000 0.000 0.284 395 T C 0.124 174.823 174.700 -0.002 0.000 0.973 395 T CA -0.372 61.750 62.100 0.038 0.000 0.996 395 T CB 1.889 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 5.088 125.000 119.914 -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 62.349 62.300 -0.110 0.000 1.088 396 V CB 0.462 32.066 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 1.043 177.216 176.094 0.133 0.000 1.122 397 V CA 1.853 64.225 62.300 0.120 0.000 1.141 397 V CB 0.440 32.393 31.823 0.218 0.000 0.735 397 V HN 0.840 nan 8.190 nan 0.000 0.498 398 S N -0.845 114.907 115.700 0.087 0.000 2.240 398 S HA 0.584 5.054 4.470 -0.000 0.000 0.234 398 S C -0.501 174.102 174.600 0.005 0.000 0.850 398 S CA -0.102 58.144 58.200 0.078 0.000 1.015 398 S CB 0.120 63.394 63.200 0.124 0.000 1.268 398 S HN 0.761 nan 8.310 nan 0.000 0.384 399 A N 3.003 125.781 122.820 -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 0.832 19.602 19.000 -0.384 0.000 1.142 399 A HN 1.581 nan 8.150 nan 0.000 0.499 400 A N 0.473 123.264 122.820 -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 -0.147 18.824 19.000 -0.048 0.000 1.165 400 A HN 1.705 nan 8.150 nan 0.000 0.525 401 G N 1.477 110.299 108.800 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 0.537 175.449 174.900 0.019 0.000 1.295 401 G CA 0.728 45.858 45.100 0.050 0.000 0.884 401 G HN 2.531 nan 8.290 nan 0.000 0.537 402 A N 1.192 124.031 122.820 0.033 0.000 2.435 402 A HA 0.290 4.610 4.320 -0.000 0.000 0.686 402 A C 0.780 178.369 177.584 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 17.335 19.000 0.001 0.000 3.974 402 A HN 2.614 nan 8.150 nan 0.000 0.548 403 S N 1.654 117.378 115.700 0.040 0.000 2.611 403 S HA 0.524 4.994 4.470 -0.000 0.000 0.252 403 S C 0.946 175.576 174.600 0.049 0.000 1.369 403 S CA 0.221 58.458 58.200 0.062 0.000 0.975 403 S CB 0.708 63.970 63.200 0.104 0.000 0.937 403 S HN 2.406 nan 8.310 nan 0.000 0.584 404 A N 0.513 123.411 122.820 0.130 0.000 3.056 404 A HA 0.617 4.937 4.320 -0.000 0.000 0.274 404 A C 0.296 178.041 177.584 0.269 0.000 1.661 404 A CA -0.484 51.645 52.037 0.154 0.000 1.363 404 A CB -1.399 17.854 19.000 0.422 0.000 1.139 404 A HN 1.115 nan 8.150 nan 0.000 0.598 405 I N 0.078 120.762 120.570 0.189 0.000 2.481 405 I HA 0.072 4.242 4.170 -0.000 0.000 0.304 405 I C -0.052 176.148 176.117 0.138 0.000 1.368 405 I CA 0.271 61.757 61.300 0.309 0.000 0.671 405 I CB -0.568 37.571 38.000 0.231 0.000 2.647 405 I HN 0.667 nan 8.210 nan 0.000 0.786 406 N N -0.576 118.145 118.700 0.034 0.000 1.895 406 N HA 0.069 4.809 4.740 -0.000 0.000 0.243 406 N C 0.595 176.057 175.510 -0.080 0.000 1.350 406 N CA 0.074 53.119 53.050 -0.009 0.000 0.789 406 N CB 0.517 39.001 38.487 -0.005 0.000 1.195 406 N HN 0.134 nan 8.380 nan 0.000 0.489 407 L N 1.710 122.827 121.223 -0.175 0.000 2.529 407 L HA 0.427 4.767 4.340 -0.000 0.000 0.223 407 L C 1.260 177.894 176.870 -0.393 0.000 1.113 407 L CA 0.467 55.106 54.840 -0.335 0.000 0.861 407 L CB -0.552 41.158 42.059 -0.581 0.000 1.012 407 L HN 0.134 nan 8.230 nan 0.000 0.461 408 A N 0.091 122.746 122.820 -0.274 0.000 2.251 408 A HA 0.609 4.929 4.320 -0.000 0.000 0.278 408 A C -0.069 177.464 177.584 -0.085 0.000 1.206 408 A CA -0.113 51.792 52.037 -0.221 0.000 0.822 408 A CB 0.569 19.410 19.000 -0.266 0.000 1.187 408 A HN 0.150 nan 8.150 nan 0.000 0.504 409 I N -0.211 120.336 120.570 -0.039 0.000 2.785 409 I HA 0.119 4.289 4.170 -0.000 0.000 0.277 409 I C -1.271 174.862 176.117 0.026 0.000 1.591 409 I CA -0.405 60.900 61.300 0.008 0.000 1.150 409 I CB 0.680 38.682 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 0.052 0.000 2.452 410 N HA 0.319 5.059 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 0.044 53.130 53.050 0.060 0.000 0.929 410 N CB 1.008 39.541 38.487 0.077 0.000 1.063 410 N HN 0.401 nan 8.380 nan 0.000 0.472 411 V N 4.813 124.753 119.914 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 61.942 62.300 0.037 0.000 1.302 411 V CB -1.069 30.776 31.823 0.037 0.000 1.496 411 V HN 0.903 nan 8.190 nan 0.000 0.628 412 R N 0.566 121.089 120.500 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 0.271 56.393 56.100 0.036 0.000 0.616 412 R CB -1.461 28.857 30.300 0.030 0.000 1.598 412 R HN 0.949 nan 8.270 nan 0.000 0.400 413 G N 0.827 109.657 108.800 0.051 0.000 5.229 413 G HA2 -0.436 3.524 3.960 -0.000 0.000 0.250 413 G HA3 -0.436 3.524 3.960 -0.000 0.000 0.250 413 G C 0.204 175.149 174.900 0.075 0.000 1.380 413 G CA 0.450 45.587 45.100 0.060 0.000 0.933 413 G HN 0.453 nan 8.290 nan 0.000 0.731 414 Q N 3.267 123.103 119.800 0.061 0.000 2.364 414 Q HA 0.246 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 -0.765 55.072 55.803 0.057 0.000 0.923 414 Q CB 0.400 29.165 28.738 0.045 0.000 1.477 414 Q HN 0.444 nan 8.270 nan 0.000 0.484 415 P HA -0.019 nan 4.420 nan 0.000 0.267 415 P C -0.455 176.842 177.300 -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 32.368 31.700 -0.157 0.000 0.816 416 R N 2.694 123.219 120.500 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 0.221 0.000 1.219 416 R CA -0.849 55.324 56.100 0.122 0.000 1.121 416 R CB 0.187 30.544 30.300 0.094 0.000 1.408 416 R HN 0.425 nan 8.270 nan 0.000 0.559 417 F N 0.783 120.715 119.950 -0.031 0.000 2.404 417 F HA 0.264 4.791 4.527 -0.000 0.000 0.354 417 F C 0.885 176.676 175.800 -0.015 0.000 1.122 417 F CA -0.443 57.540 58.000 -0.029 0.000 1.080 417 F CB 1.000 39.989 39.000 -0.020 0.000 1.131 417 F HN 0.264 nan 8.300 nan 0.000 0.471 418 N N 5.282 123.973 118.700 -0.015 0.000 2.414 418 N HA -0.028 4.712 4.740 -0.000 0.000 0.268 418 N C 0.241 175.771 175.510 0.033 0.000 1.286 418 N CA -0.273 52.770 53.050 -0.010 0.000 0.896 418 N CB 0.440 38.886 38.487 -0.068 0.000 1.093 418 N HN 0.527 nan 8.380 nan 0.000 0.480 419 M N 4.906 124.541 119.600 0.058 0.000 2.563 419 M HA -0.111 4.369 4.480 -0.000 0.000 0.423 419 M C -1.025 175.293 176.300 0.030 0.000 1.706 419 M CA 1.011 56.357 55.300 0.076 0.000 1.001 419 M CB -0.953 31.676 32.600 0.048 0.000 2.123 419 M HN 0.463 nan 8.290 nan 0.000 0.494 420 L N 3.948 125.232 121.223 0.103 0.000 2.409 420 L HA 0.606 4.946 4.340 -0.000 0.000 0.262 420 L C -1.412 175.603 176.870 0.241 0.000 0.992 420 L CA -0.673 54.200 54.840 0.054 0.000 0.817 420 L CB 2.116 44.190 42.059 0.025 0.000 1.350 420 L HN 0.504 nan 8.230 nan 0.000 0.411 421 H N 3.366 122.436 119.070 0.000 0.000 2.685 421 H HA 0.557 5.113 4.556 -0.000 0.000 0.307 421 H C -0.719 174.597 175.328 -0.021 0.000 1.017 421 H CA -0.969 55.071 56.048 -0.014 0.000 1.237 421 H CB 1.210 30.956 29.762 -0.026 0.000 1.409 421 H HN 0.511 nan 8.280 nan 0.000 0.488 422 L N 2.658 123.934 121.223 0.089 0.000 2.475 422 L HA 0.281 4.621 4.340 -0.000 0.000 0.253 422 L C 0.152 177.005 176.870 -0.027 0.000 1.198 422 L CA -0.475 54.390 54.840 0.042 0.000 0.814 422 L CB 0.301 42.395 42.059 0.059 0.000 1.134 422 L HN 0.684 nan 8.230 nan 0.000 0.478 423 Q N 0.306 120.083 119.800 -0.039 0.000 2.613 423 Q HA 0.605 4.945 4.340 -0.000 0.000 0.231 423 Q C -1.779 174.182 176.000 -0.064 0.000 0.879 423 Q CA -0.622 55.108 55.803 -0.121 0.000 1.083 423 Q CB 0.871 29.572 28.738 -0.061 0.000 1.588 423 Q HN 0.754 nan 8.270 nan 0.000 0.500 424 A N 1.750 124.495 122.820 -0.126 0.000 2.257 424 A HA 0.866 5.186 4.320 -0.000 0.000 0.290 424 A C 0.051 177.651 177.584 0.026 0.000 1.201 424 A CA -0.237 51.824 52.037 0.040 0.000 0.863 424 A CB 1.179 20.301 19.000 0.203 0.000 1.256 424 A HN 0.719 nan 8.150 nan 0.000 0.506 425 T N 0.609 115.215 114.554 0.086 0.000 3.816 425 T HA 0.228 4.578 4.350 -0.000 0.000 0.232 425 T C -0.541 174.211 174.700 0.087 0.000 1.125 425 T CA -0.219 61.917 62.100 0.059 0.000 1.609 425 T CB -0.671 68.210 68.868 0.023 0.000 0.805 425 T HN 0.500 nan 8.240 nan 0.000 0.647 426 F N 3.197 123.163 119.950 0.027 0.000 2.635 426 F HA 0.208 4.735 4.527 -0.000 0.000 0.379 426 F C 0.183 175.994 175.800 0.018 0.000 1.094 426 F CA 0.257 58.282 58.000 0.041 0.000 1.300 426 F CB 0.560 39.594 39.000 0.056 0.000 1.035 426 F HN 0.152 nan 8.300 nan 0.000 0.581 427 E N 6.778 126.289 120.200 -1.148 0.000 2.255 427 E HA 0.197 4.547 4.350 -0.000 0.000 0.256 427 E C 0.839 176.851 176.600 -0.980 0.000 0.887 427 E CA -0.606 55.295 56.400 -0.832 0.000 0.782 427 E CB 1.523 31.000 29.700 -0.371 0.000 1.214 427 E HN 0.705 nan 8.360 nan 0.000 0.417 428 R N 1.842 121.909 120.500 -0.723 0.000 2.327 428 R HA -0.312 4.028 4.340 -0.000 0.000 0.239 428 R C 1.600 177.785 176.300 -0.191 0.000 1.085 428 R CA 2.798 58.717 56.100 -0.300 0.000 0.890 428 R CB -0.266 29.965 30.300 -0.115 0.000 0.983 428 R HN 0.699 nan 8.270 nan 0.000 0.419 429 E N -0.055 120.042 120.200 -0.172 0.000 2.299 429 E HA -0.082 4.268 4.350 -0.000 0.000 0.193 429 E C 1.496 178.045 176.600 -0.085 0.000 0.998 429 E CA 1.349 57.693 56.400 -0.093 0.000 0.851 429 E CB -0.228 29.429 29.700 -0.071 0.000 0.795 429 E HN 0.491 nan 8.360 nan 0.000 0.492 430 T N -0.432 114.039 114.554 -0.137 0.000 2.946 430 T HA -0.075 4.275 4.350 -0.000 0.000 0.271 430 T C 1.523 176.224 174.700 0.002 0.000 1.104 430 T CA 0.722 62.781 62.100 -0.068 0.000 1.114 430 T CB -0.332 68.486 68.868 -0.084 0.000 0.867 430 T HN 0.229 nan 8.240 nan 0.000 0.513 431 I N 2.077 122.667 120.570 0.032 0.000 3.731 431 I HA 0.142 4.312 4.170 -0.000 0.000 0.341 431 I C -0.022 176.114 176.117 0.032 0.000 1.532 431 I CA -0.422 60.932 61.300 0.090 0.000 1.163 431 I CB -0.109 38.030 38.000 0.232 0.000 1.339 431 I HN 0.165 nan 8.210 nan 0.000 0.449 432 T N 0.697 115.252 114.554 0.002 0.000 2.930 432 T HA 0.301 4.651 4.350 -0.000 0.000 0.306 432 T C 1.300 175.987 174.700 -0.022 0.000 1.045 432 T CA 0.798 62.891 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 2.973 111.752 108.800 -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 0.006 45.076 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 -0.547 175.442 176.117 -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 38.005 38.000 -0.049 0.000 1.561 434 I HN 0.212 nan 8.210 nan 0.000 0.666 435 P HA -0.146 nan 4.420 nan 0.000 0.216 435 P C -0.543 176.164 177.300 -0.989 0.000 1.153 435 P CA 1.595 64.233 63.100 -0.770 0.000 0.858 435 P CB 0.121 31.165 31.700 -1.093 0.000 0.789 436 Y N -1.088 119.173 120.300 -0.066 0.000 2.338 436 Y HA 0.664 5.214 4.550 -0.000 0.000 0.333 436 Y C 0.040 175.778 175.900 -0.271 0.000 0.968 436 Y CA -1.233 56.772 58.100 -0.158 0.000 1.123 436 Y CB 1.512 40.009 38.460 0.060 0.000 1.165 436 Y HN -0.223 nan 8.280 nan 0.000 0.452 437 I N 3.314 123.529 120.570 -0.592 0.000 2.753 437 I HA 0.521 4.691 4.170 -0.000 0.000 0.291 437 I C -2.225 173.348 176.117 -0.906 0.000 1.425 437 I CA -0.708 60.314 61.300 -0.463 0.000 1.039 437 I CB 1.855 39.748 38.000 -0.179 0.000 1.349 437 I HN 0.591 nan 8.210 nan 0.000 0.430 438 Y N 4.514 124.831 120.300 0.028 0.000 2.492 438 Y HA 0.668 5.218 4.550 -0.000 0.000 0.346 438 Y C 0.464 176.342 175.900 -0.037 0.000 0.997 438 Y CA -0.970 57.120 58.100 -0.016 0.000 1.025 438 Y CB 2.117 40.551 38.460 -0.044 0.000 1.263 438 Y HN 0.559 nan 8.280 nan 0.000 0.454 439 G N 2.829 111.684 108.800 0.092 0.000 2.353 439 G HA2 0.546 4.506 3.960 -0.000 0.000 0.284 439 G HA3 0.546 4.506 3.960 -0.000 0.000 0.284 439 G C -1.410 173.432 174.900 -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 2.723 123.668 121.223 -0.463 0.000 2.439 440 L HA 0.582 4.922 4.340 -0.000 0.000 0.270 440 L C 0.392 177.069 176.870 -0.320 0.000 0.972 440 L CA -0.967 53.756 54.840 -0.194 0.000 0.836 440 L CB 2.043 44.078 42.059 -0.039 0.000 1.255 440 L HN 0.629 nan 8.230 nan 0.000 0.404 441 G N 2.227 111.053 108.800 0.042 0.000 3.161 441 G HA2 0.282 4.242 3.960 -0.000 0.000 0.293 441 G HA3 0.282 4.242 3.960 -0.000 0.000 0.293 441 G C 0.099 175.015 174.900 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 0.274 114.809 114.554 -0.031 0.000 3.204 442 T HA 0.446 4.796 4.350 -0.000 0.000 0.312 442 T C 0.717 175.425 174.700 0.012 0.000 1.254 442 T CA -0.214 61.896 62.100 0.017 0.000 0.913 442 T CB 0.627 69.500 68.868 0.009 0.000 2.143 442 T HN 0.147 nan 8.240 nan 0.000 0.569 443 F N -0.629 119.296 119.950 -0.041 0.000 2.667 443 F HA 0.529 5.056 4.527 -0.000 0.000 0.288 443 F C 0.423 176.182 175.800 -0.069 0.000 1.086 443 F CA -0.202 57.784 58.000 -0.024 0.000 1.297 443 F CB 0.445 39.447 39.000 0.004 0.000 1.059 443 F HN 0.334 nan 8.300 nan 0.000 0.624 444 L N 2.231 123.524 121.223 0.117 0.000 3.523 444 L HA -0.217 4.123 4.340 -0.000 0.000 0.668 444 L C -0.893 176.029 176.870 0.087 0.000 1.211 444 L CA -0.115 54.734 54.840 0.015 0.000 1.096 444 L CB -1.518 40.396 42.059 -0.243 0.000 1.617 444 L HN 0.025 nan 8.230 nan 0.000 0.873 445 I N 3.495 124.169 120.570 0.174 0.000 2.556 445 I HA 0.088 4.258 4.170 -0.000 0.000 0.284 445 I C -0.629 175.666 176.117 0.296 0.000 1.114 445 I CA -1.439 59.975 61.300 0.190 0.000 1.418 445 I CB 0.698 38.757 38.000 0.098 0.000 1.394 445 I HN 0.168 nan 8.210 nan 0.000 0.552 446 P HA -0.038 nan 4.420 nan 0.000 0.245 446 P C -0.217 177.175 177.300 0.152 0.000 1.212 446 P CA 0.527 63.850 63.100 0.371 0.000 0.774 446 P CB 0.241 32.150 31.700 0.349 0.000 0.999 447 S N -1.405 114.365 115.700 0.117 0.000 2.305 447 S HA 0.245 4.715 4.470 -0.000 0.000 0.208 447 S C -3.202 171.421 174.600 0.038 0.000 0.797 447 S CA -1.218 57.017 58.200 0.059 0.000 1.007 447 S CB 0.194 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 -0.313 176.979 177.300 -0.013 0.000 1.193 448 P CA 0.467 63.566 63.100 -0.003 0.000 0.765 448 P CB 0.795 32.486 31.700 -0.014 0.000 0.823 449 T N 1.121 115.661 114.554 -0.023 0.000 2.804 449 T HA 0.216 4.566 4.350 -0.000 0.000 0.290 449 T C 1.413 176.092 174.700 -0.036 0.000 1.099 449 T CA -0.378 61.710 62.100 -0.020 0.000 1.011 449 T CB 1.024 69.890 68.868 -0.003 0.000 1.291 449 T HN 0.151 nan 8.240 nan 0.000 0.523 450 S N 1.198 116.887 115.700 -0.019 0.000 2.399 450 S HA -0.128 4.342 4.470 -0.000 0.000 0.231 450 S C 2.360 176.974 174.600 0.024 0.000 1.022 450 S CA 1.525 59.716 58.200 -0.015 0.000 0.983 450 S CB -0.422 62.791 63.200 0.023 0.000 0.803 450 S HN 0.813 nan 8.310 nan 0.000 0.480 451 S N 1.553 117.277 115.700 0.041 0.000 2.368 451 S HA -0.018 4.452 4.470 -0.000 0.000 0.225 451 S C 1.272 175.915 174.600 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 2.442 118.137 115.700 -0.008 0.000 3.513 452 S HA 0.350 4.820 4.470 -0.000 0.000 0.209 452 S C 0.446 174.962 174.600 -0.140 0.000 1.446 452 S CA -0.548 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 0.425 nan 8.310 nan 0.000 0.502 453 N N 0.418 118.963 118.700 -0.257 0.000 2.197 453 N HA 0.210 4.950 4.740 -0.000 0.000 0.201 453 N C -0.378 174.533 175.510 -0.999 0.000 1.148 453 N CA 0.450 53.096 53.050 -0.673 0.000 0.883 453 N CB 0.429 38.359 38.487 -0.928 0.000 1.012 453 N HN 0.431 nan 8.380 nan 0.000 0.507 454 F N -1.218 118.716 119.950 -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 39.141 39.000 -0.016 0.000 1.216 454 F HN -0.213 nan 8.300 nan 0.000 0.518 455 S N 0.128 115.874 115.700 0.076 0.000 2.327 455 S HA -0.062 4.408 4.470 -0.000 0.000 0.213 455 S C 0.457 175.051 174.600 -0.011 0.000 1.032 455 S CA 0.789 59.002 58.200 0.023 0.000 0.960 455 S CB -0.393 62.785 63.200 -0.037 0.000 0.900 455 S HN 0.534 nan 8.310 nan 0.000 0.469 456 N N 0.920 119.594 118.700 -0.043 0.000 2.469 456 N HA -0.090 4.650 4.740 -0.000 0.000 0.283 456 N C -2.857 172.636 175.510 -0.028 0.000 1.326 456 N CA 0.187 53.216 53.050 -0.035 0.000 0.646 456 N CB 0.110 38.589 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 0.083 177.519 177.300 0.226 0.000 1.461 457 P CA 0.373 63.511 63.100 0.062 0.000 0.809 457 P CB 0.010 31.733 31.700 0.038 0.000 1.503 458 T N 0.889 115.493 114.554 0.084 0.000 2.784 458 T HA 0.103 4.453 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 -0.311 68.551 68.868 -0.010 0.000 0.885 458 T HN 0.031 nan 8.240 nan 0.000 0.534 459 L N 5.631 126.859 121.223 0.009 0.000 2.627 459 L HA 0.090 4.430 4.340 -0.000 0.000 0.232 459 L C 2.022 178.836 176.870 -0.092 0.000 1.150 459 L CA -0.225 54.563 54.840 -0.086 0.000 0.917 459 L CB -0.234 41.726 42.059 -0.165 0.000 1.104 459 L HN 0.674 nan 8.230 nan 0.000 0.445 460 M N -0.048 119.509 119.600 -0.072 0.000 2.446 460 M HA -0.142 4.338 4.480 -0.000 0.000 0.263 460 M C 1.705 177.893 176.300 -0.187 0.000 1.066 460 M CA 1.050 56.301 55.300 -0.080 0.000 1.087 460 M CB -0.899 31.658 32.600 -0.072 0.000 1.406 460 M HN 0.343 nan 8.290 nan 0.000 0.459 461 D N -0.045 120.191 120.400 -0.273 0.000 2.351 461 D HA -0.045 4.595 4.640 -0.000 0.000 0.216 461 D C 0.977 177.179 176.300 -0.162 0.000 0.968 461 D CA 0.532 54.305 54.000 -0.378 0.000 0.899 461 D CB -0.639 39.980 40.800 -0.302 0.000 0.907 461 D HN 0.258 nan 8.370 nan 0.000 0.514 462 G N 0.298 109.027 108.800 -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 -0.384 174.501 174.900 -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 1.695 122.907 121.223 -0.019 0.000 2.404 463 L HA 0.311 4.651 4.340 -0.000 0.000 0.277 463 L C 0.212 177.040 176.870 -0.070 0.000 1.184 463 L CA -0.827 54.003 54.840 -0.016 0.000 1.013 463 L CB -0.095 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 4.362 125.571 121.223 -0.022 0.000 2.416 464 L HA 0.324 4.664 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 0.761 55.567 54.840 -0.056 0.000 0.845 464 L CB 1.202 43.304 42.059 0.072 0.000 1.119 464 L HN 0.443 nan 8.230 nan 0.000 0.464 465 T N 5.466 119.896 114.554 -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 69.449 68.868 -0.232 0.000 1.074 465 T HN 0.655 nan 8.240 nan 0.000 0.519 466 V N 4.202 123.963 119.914 -0.254 0.000 2.614 466 V HA 0.697 4.817 4.120 -0.000 0.000 0.291 466 V C 0.037 176.028 176.094 -0.172 0.000 1.049 466 V CA 0.079 62.270 62.300 -0.182 0.000 1.038 466 V CB 0.881 32.605 31.823 -0.166 0.000 0.980 466 V HN 0.932 nan 8.190 nan 0.000 0.481 467 T N 5.820 120.304 114.554 -0.116 0.000 2.963 467 T HA 0.490 4.840 4.350 -0.000 0.000 0.328 467 T C -2.680 171.984 174.700 -0.061 0.000 1.048 467 T CA -1.731 60.315 62.100 -0.092 0.000 1.033 467 T CB 1.210 70.031 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 0.159 177.443 177.300 -0.027 0.000 1.173 468 P CA -0.046 63.032 63.100 -0.036 0.000 0.768 468 P CB 0.800 32.476 31.700 -0.040 0.000 0.758 469 V N 7.142 127.045 119.914 -0.018 0.000 2.219 469 V HA 0.321 4.441 4.120 -0.000 0.000 0.267 469 V C -0.239 175.843 176.094 -0.020 0.000 1.266 469 V CA -0.268 62.020 62.300 -0.020 0.000 1.270 469 V CB -0.834 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 5.272 126.485 121.223 -0.016 0.000 4.450 470 L HA 0.027 4.367 4.340 -0.000 0.000 0.217 470 L C 0.378 177.243 176.870 -0.009 0.000 1.090 470 L CA -0.095 54.737 54.840 -0.014 0.000 1.395 470 L CB 0.166 42.213 42.059 -0.019 0.000 1.704 470 L HN 0.302 nan 8.230 nan 0.000 0.713 471 L N 1.640 122.859 121.223 -0.007 0.000 2.021 471 L HA -0.259 4.081 4.340 -0.000 0.000 0.215 471 L C 2.578 179.449 176.870 0.002 0.000 1.074 471 L CA 2.721 57.559 54.840 -0.003 0.000 0.760 471 L CB -0.704 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 0.571 121.074 120.500 0.005 0.000 2.153 472 R HA -0.171 4.169 4.340 -0.000 0.000 0.252 472 R C 0.469 176.775 176.300 0.011 0.000 1.158 472 R CA 1.160 57.267 56.100 0.011 0.000 0.975 472 R CB -0.642 29.663 30.300 0.008 0.000 0.871 472 R HN 0.460 nan 8.270 nan 0.000 0.450 473 E N 1.314 121.518 120.200 0.006 0.000 2.146 473 E HA 0.140 4.490 4.350 -0.000 0.000 0.282 473 E C -0.715 175.888 176.600 0.004 0.000 0.989 473 E CA -0.267 56.139 56.400 0.009 0.000 0.799 473 E CB 1.882 31.590 29.700 0.013 0.000 1.088 473 E HN 0.091 nan 8.360 nan 0.000 0.397 474 T N 1.488 116.043 114.554 0.002 0.000 2.893 474 T HA 0.438 4.788 4.350 -0.000 0.000 0.279 474 T C -0.481 174.233 174.700 0.023 0.000 0.991 474 T CA -0.216 61.877 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 1.748 116.325 114.554 0.038 0.000 2.916 475 T HA 0.558 4.908 4.350 -0.000 0.000 0.298 475 T C -2.091 172.725 174.700 0.193 0.000 1.031 475 T CA -0.335 61.819 62.100 0.090 0.000 0.993 475 T CB 1.068 69.972 68.868 0.061 0.000 1.045 475 T HN 0.491 nan 8.240 nan 0.000 0.454 476 Y N 2.736 123.046 120.300 0.016 0.000 2.361 476 Y HA 0.367 4.917 4.550 -0.000 0.000 0.328 476 Y C 0.115 176.037 175.900 0.035 0.000 1.044 476 Y CA -1.398 56.713 58.100 0.020 0.000 1.085 476 Y CB 0.960 39.423 38.460 0.005 0.000 1.194 476 Y HN 0.574 nan 8.280 nan 0.000 0.438 477 K N 3.850 123.929 120.400 -0.534 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 -0.149 0.000 1.145 477 K CA 1.338 57.361 56.287 -0.439 0.000 0.831 477 K CB -1.672 30.487 32.500 -0.569 0.000 1.226 477 K HN 1.591 nan 8.250 nan 0.000 0.478 478 G N -0.832 107.947 108.800 -0.036 0.000 2.201 478 G HA2 -0.244 3.716 3.960 -0.000 0.000 0.212 478 G HA3 -0.244 3.716 3.960 -0.000 0.000 0.212 478 G C -0.175 174.750 174.900 0.042 0.000 0.994 478 G CA 0.306 45.422 45.100 0.026 0.000 0.644 478 G HN 0.326 nan 8.290 nan 0.000 0.508 479 E N -0.434 119.792 120.200 0.042 0.000 2.221 479 E HA 0.665 5.015 4.350 -0.000 0.000 0.268 479 E C -0.004 176.643 176.600 0.078 0.000 0.933 479 E CA -0.613 55.821 56.400 0.057 0.000 0.809 479 E CB 2.362 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 2.778 122.733 119.914 0.068 0.000 2.407 480 V HA 0.440 4.560 4.120 -0.000 0.000 0.278 480 V C -0.138 175.991 176.094 0.058 0.000 1.037 480 V CA -0.416 61.924 62.300 0.065 0.000 0.900 480 V CB 0.937 32.798 31.823 0.064 0.000 0.983 480 V HN 0.435 nan 8.190 nan 0.000 0.459 481 V N 3.068 123.015 119.914 0.055 0.000 3.119 481 V HA 0.547 4.667 4.120 -0.000 0.000 0.311 481 V C 0.125 176.238 176.094 0.033 0.000 1.259 481 V CA -0.650 61.679 62.300 0.047 0.000 1.067 481 V CB 2.419 34.278 31.823 0.060 0.000 1.123 481 V HN 0.768 nan 8.190 nan 0.000 0.463 482 D N -0.000 120.418 120.400 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 0.748 54.765 54.000 0.028 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 0.746 123.588 122.820 0.037 0.000 2.549 483 A HA 0.643 4.963 4.320 -0.000 0.000 0.297 483 A C -0.733 176.871 177.584 0.033 0.000 1.061 483 A CA -0.558 51.510 52.037 0.052 0.000 0.690 483 A CB 1.465 20.493 19.000 0.047 0.000 1.287 483 A HN -0.023 nan 8.150 nan 0.000 0.402 484 I N 0.269 120.869 120.570 0.051 0.000 3.062 484 I HA 0.524 4.694 4.170 -0.000 0.000 0.316 484 I C -0.100 176.025 176.117 0.014 0.000 1.041 484 I CA -0.927 60.354 61.300 -0.030 0.000 1.069 484 I CB 1.946 39.867 38.000 -0.131 0.000 1.300 484 I HN 0.263 nan 8.210 nan 0.000 0.518 485 V N 3.262 123.151 119.914 -0.043 0.000 2.711 485 V HA 0.155 4.275 4.120 -0.000 0.000 0.335 485 V C -1.752 174.342 176.094 0.000 0.000 1.235 485 V CA -1.043 61.258 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 1.789 179.109 177.300 0.033 0.000 0.768 486 P CA 3.213 66.354 63.100 0.067 0.000 1.075 486 P CB -0.232 31.548 31.700 0.133 0.000 0.715 487 A N -2.224 120.622 122.820 0.043 0.000 2.009 487 A HA -0.316 4.004 4.320 -0.000 0.000 0.222 487 A C 2.288 179.896 177.584 0.040 0.000 1.175 487 A CA 3.102 55.163 52.037 0.040 0.000 0.651 487 A CB -1.856 17.165 19.000 0.034 0.000 0.815 487 A HN 0.405 nan 8.150 nan 0.000 0.459 488 T N -0.603 113.968 114.554 0.029 0.000 2.777 488 T HA -0.084 4.266 4.350 -0.000 0.000 0.266 488 T C 1.678 176.424 174.700 0.077 0.000 1.040 488 T CA 1.568 63.702 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 1.650 121.561 119.914 -0.005 0.000 3.444 489 V HA 0.053 4.173 4.120 -0.000 0.000 0.271 489 V C 0.826 176.968 176.094 0.079 0.000 1.188 489 V CA 0.424 62.741 62.300 0.029 0.000 1.168 489 V CB -0.935 30.802 31.823 -0.143 0.000 0.810 489 V HN 0.426 nan 8.190 nan 0.000 0.500 490 M N 0.065 119.708 119.600 0.071 0.000 2.235 490 M HA 0.422 4.902 4.480 -0.000 0.000 0.351 490 M C 1.053 177.400 176.300 0.079 0.000 1.178 490 M CA -0.038 55.310 55.300 0.079 0.000 1.143 490 M CB -0.244 32.399 32.600 0.071 0.000 1.530 490 M HN 0.238 nan 8.290 nan 0.000 0.461 491 A N 2.974 125.840 122.820 0.077 0.000 2.409 491 A HA -0.220 4.100 4.320 -0.000 0.000 0.290 491 A C 0.915 178.541 177.584 0.069 0.000 1.440 491 A CA 1.331 53.408 52.037 0.067 0.000 0.775 491 A CB -1.808 17.226 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 2.129 492 N HA 0.030 4.770 4.740 -0.000 0.000 0.222 492 N C 0.104 175.664 175.510 0.085 0.000 1.303 492 N CA 0.169 53.275 53.050 0.093 0.000 0.897 492 N CB 0.375 38.946 38.487 0.141 0.000 1.093 492 N HN 0.625 nan 8.380 nan 0.000 0.501 493 Q N 0.489 120.342 119.800 0.088 0.000 2.180 493 Q HA 0.326 4.666 4.340 -0.000 0.000 0.241 493 Q C 0.375 176.403 176.000 0.048 0.000 0.970 493 Q CA -0.259 55.587 55.803 0.072 0.000 0.919 493 Q CB 1.330 30.122 28.738 0.090 0.000 1.222 493 Q HN 0.183 nan 8.270 nan 0.000 0.482 494 T N -3.252 111.322 114.554 0.033 0.000 2.922 494 T HA 0.383 4.733 4.350 -0.000 0.000 0.281 494 T C 1.033 175.748 174.700 0.026 0.000 1.005 494 T CA -0.098 62.016 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 1.029 116.741 115.700 0.019 0.000 2.407 495 S HA -0.226 4.244 4.470 -0.000 0.000 0.244 495 S C 1.773 176.388 174.600 0.024 0.000 1.077 495 S CA 2.181 60.393 58.200 0.020 0.000 1.159 495 S CB -0.597 62.610 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 1.299 177.914 176.600 0.026 0.000 1.027 496 E CA 0.086 56.500 56.400 0.022 0.000 0.900 496 E CB -0.110 29.596 29.700 0.009 0.000 0.993 496 E HN 0.608 nan 8.360 nan 0.000 0.482 497 E N 0.982 121.197 120.200 0.024 0.000 2.526 497 E HA -0.019 4.331 4.350 -0.000 0.000 0.198 497 E C 1.045 177.685 176.600 0.067 0.000 1.091 497 E CA 0.129 56.547 56.400 0.030 0.000 0.880 497 E CB 0.412 30.123 29.700 0.018 0.000 0.873 497 E HN 0.142 nan 8.360 nan 0.000 0.527 498 V N -0.314 119.642 119.914 0.069 0.000 2.840 498 V HA 0.088 4.208 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 1.077 63.426 62.300 0.083 0.000 1.194 498 V CB 0.026 31.889 31.823 0.067 0.000 0.971 498 V HN 0.314 nan 8.190 nan 0.000 0.494 499 A N -0.706 122.164 122.820 0.084 0.000 2.125 499 A HA -0.143 4.177 4.320 -0.000 0.000 0.219 499 A C 2.200 179.873 177.584 0.149 0.000 1.156 499 A CA 1.933 54.033 52.037 0.105 0.000 0.671 499 A CB -0.358 18.690 19.000 0.080 0.000 0.794 499 A HN 0.437 nan 8.150 nan 0.000 0.459 500 S N -0.868 114.906 115.700 0.123 0.000 2.577 500 S HA 0.521 4.991 4.470 -0.000 0.000 0.219 500 S C 0.857 175.583 174.600 0.209 0.000 0.962 500 S CA 0.308 58.578 58.200 0.117 0.000 0.921 500 S CB -0.809 62.407 63.200 0.026 0.000 0.789 500 S HN 0.746 nan 8.310 nan 0.000 0.497 501 A N 1.445 124.391 122.820 0.210 0.000 2.492 501 A HA 0.361 4.681 4.320 -0.000 0.000 0.236 501 A C 0.020 177.719 177.584 0.192 0.000 1.078 501 A CA -0.044 52.120 52.037 0.211 0.000 0.773 501 A CB 0.098 19.187 19.000 0.147 0.000 1.023 501 A HN 0.589 nan 8.150 nan 0.000 0.504 502 L N 2.319 123.550 121.223 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 -0.557 54.125 54.840 -0.264 0.000 0.820 502 L CB 0.578 42.135 42.059 -0.837 0.000 1.204 502 L HN 0.988 nan 8.230 nan 0.000 0.424 503 A N 4.708 127.511 122.820 -0.028 0.000 2.494 503 A HA -0.198 4.122 4.320 -0.000 0.000 0.291 503 A C 0.871 178.408 177.584 -0.078 0.000 0.951 503 A CA 1.317 53.311 52.037 -0.072 0.000 1.099 503 A CB -0.850 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 0.108 118.772 118.700 -0.060 0.000 2.765 504 N HA -0.141 4.599 4.740 -0.000 0.000 0.254 504 N C -0.874 174.595 175.510 -0.067 0.000 1.094 504 N CA 1.314 54.325 53.050 -0.065 0.000 0.680 504 N CB -0.765 37.688 38.487 -0.056 0.000 0.902 504 N HN 1.058 nan 8.380 nan 0.000 0.557 505 D N -1.020 119.344 120.400 -0.059 0.000 2.490 505 D HA 0.683 5.323 4.640 -0.000 0.000 0.232 505 D C 1.285 177.543 176.300 -0.069 0.000 1.053 505 D CA -0.167 53.817 54.000 -0.027 0.000 0.914 505 D CB 0.874 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 1.664 124.437 122.820 -0.078 0.000 1.893 506 A HA -0.297 4.023 4.320 -0.000 0.000 0.222 506 A C 2.220 179.685 177.584 -0.198 0.000 1.309 506 A CA 2.660 54.536 52.037 -0.268 0.000 0.681 506 A CB -1.308 17.371 19.000 -0.535 0.000 0.842 506 A HN 0.718 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 2.238 178.350 176.117 -0.008 0.000 1.057 507 I CA 1.892 63.213 61.300 0.035 0.000 1.314 507 I CB -0.563 37.519 38.000 0.136 0.000 1.022 507 I HN 0.220 nan 8.210 nan 0.000 0.408 508 V N 0.576 120.484 119.914 -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 1.341 63.630 62.300 -0.018 0.000 1.101 508 V CB -0.432 31.384 31.823 -0.011 0.000 0.698 508 V HN 0.379 nan 8.190 nan 0.000 0.477 509 L N -0.618 120.503 121.223 -0.170 0.000 2.168 509 L HA 0.021 4.361 4.340 -0.000 0.000 0.203 509 L C 1.999 178.731 176.870 -0.231 0.000 1.078 509 L CA 0.712 55.371 54.840 -0.303 0.000 0.780 509 L CB -0.148 41.516 42.059 -0.658 0.000 0.939 509 L HN 0.158 nan 8.230 nan 0.000 0.451 510 V N -1.415 118.375 119.914 -0.206 0.000 3.623 510 V HA -0.070 4.050 4.120 -0.000 0.000 0.274 510 V C 1.937 178.084 176.094 0.089 0.000 1.244 510 V CA 1.087 63.385 62.300 -0.004 0.000 1.182 510 V CB 0.049 31.849 31.823 -0.037 0.000 0.925 510 V HN 0.305 nan 8.190 nan 0.000 0.462 511 S N 0.174 115.911 115.700 0.061 0.000 2.599 511 S HA 0.057 4.527 4.470 -0.000 0.000 0.236 511 S C 1.737 176.389 174.600 0.086 0.000 1.077 511 S CA 0.272 58.513 58.200 0.068 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 0.752 119.510 118.700 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 -0.240 38.303 38.487 0.094 0.000 0.972 512 N HN 0.426 nan 8.380 nan 0.000 0.435 513 H N 0.366 119.517 119.070 0.135 0.000 2.287 513 H HA 0.216 4.772 4.556 -0.000 0.000 0.309 513 H C 1.837 177.255 175.328 0.150 0.000 1.059 513 H CA 1.097 57.252 56.048 0.179 0.000 1.357 513 H CB -0.388 29.551 29.762 0.295 0.000 1.409 513 H HN 0.012 nan 8.280 nan 0.000 0.515 514 L N 0.160 121.515 121.223 0.220 0.000 2.081 514 L HA -0.240 4.100 4.340 -0.000 0.000 0.212 514 L C 2.039 178.975 176.870 0.110 0.000 1.080 514 L CA 1.547 56.511 54.840 0.207 0.000 0.754 514 L CB -0.556 41.647 42.059 0.240 0.000 0.893 514 L HN 0.321 nan 8.230 nan 0.000 0.433 515 N N -0.236 118.496 118.700 0.053 0.000 2.205 515 N HA -0.159 4.581 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 0.965 54.016 53.050 0.002 0.000 0.862 515 N CB 0.045 38.540 38.487 0.014 0.000 0.986 515 N HN 0.200 nan 8.380 nan 0.000 0.429 516 K N 0.527 120.942 120.400 0.025 0.000 2.007 516 K HA 0.006 4.326 4.320 -0.000 0.000 0.206 516 K C 1.827 178.435 176.600 0.014 0.000 1.047 516 K CA 0.397 56.690 56.287 0.010 0.000 0.937 516 K CB -0.999 31.493 32.500 -0.013 0.000 0.718 516 K HN 0.203 nan 8.250 nan 0.000 0.438 517 L N 1.376 122.606 121.223 0.011 0.000 2.187 517 L HA -0.090 4.250 4.340 -0.000 0.000 0.213 517 L C 1.944 178.933 176.870 0.197 0.000 1.100 517 L CA 1.728 56.609 54.840 0.068 0.000 0.765 517 L CB -0.821 41.269 42.059 0.053 0.000 0.904 517 L HN 0.074 nan 8.230 nan 0.000 0.437 518 A N -0.342 122.591 122.820 0.189 0.000 2.014 518 A HA -0.151 4.169 4.320 -0.000 0.000 0.218 518 A C 1.828 179.454 177.584 0.070 0.000 1.163 518 A CA 1.276 53.393 52.037 0.133 0.000 0.652 518 A CB -0.380 18.513 19.000 -0.178 0.000 0.808 518 A HN 0.548 nan 8.150 nan 0.000 0.449 519 N N -0.488 118.238 118.700 0.045 0.000 2.392 519 N HA 0.027 4.767 4.740 -0.000 0.000 0.177 519 N C 1.488 177.020 175.510 0.036 0.000 1.066 519 N CA 0.824 53.891 53.050 0.029 0.000 0.895 519 N CB 0.342 38.837 38.487 0.014 0.000 0.988 519 N HN 0.260 nan 8.380 nan 0.000 0.457 520 V N 1.101 121.041 119.914 0.044 0.000 2.346 520 V HA -0.144 3.976 4.120 -0.000 0.000 0.244 520 V C 2.505 178.627 176.094 0.046 0.000 1.037 520 V CA 1.309 63.630 62.300 0.035 0.000 1.029 520 V CB -0.536 31.301 31.823 0.024 0.000 0.663 520 V HN 0.115 nan 8.190 nan 0.000 0.454 521 V N 0.099 120.058 119.914 0.074 0.000 2.270 521 V HA -0.038 4.082 4.120 -0.000 0.000 0.245 521 V C 2.568 178.703 176.094 0.067 0.000 1.043 521 V CA 2.126 64.473 62.300 0.078 0.000 1.014 521 V CB -2.003 29.895 31.823 0.126 0.000 0.645 521 V HN 0.422 nan 8.190 nan 0.000 0.447 522 G N 0.003 108.846 108.800 0.071 0.000 2.547 522 G HA2 -0.327 3.633 3.960 -0.000 0.000 0.221 522 G HA3 -0.327 3.633 3.960 -0.000 0.000 0.221 522 G C 1.351 176.272 174.900 0.035 0.000 1.140 522 G CA 1.414 46.542 45.100 0.047 0.000 0.760 522 G HN 0.576 nan 8.290 nan 0.000 0.583 523 D N 0.337 120.756 120.400 0.032 0.000 2.128 523 D HA 0.072 4.712 4.640 -0.000 0.000 0.213 523 D C 2.938 179.252 176.300 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 1.437 124.271 122.820 0.024 0.000 1.835 524 A HA -0.067 4.253 4.320 -0.000 0.000 0.215 524 A C 1.537 179.135 177.584 0.022 0.000 1.199 524 A CA 0.709 52.758 52.037 0.021 0.000 0.615 524 A CB -0.874 18.137 19.000 0.018 0.000 0.838 524 A HN 0.279 nan 8.150 nan 0.000 0.444 525 I N 1.282 121.868 120.570 0.027 0.000 2.754 525 I HA 0.076 4.246 4.170 -0.000 0.000 0.285 525 I C -1.754 174.382 176.117 0.031 0.000 1.166 525 I CA -1.327 59.990 61.300 0.029 0.000 1.417 525 I CB 0.727 38.747 38.000 0.033 0.000 1.382 525 I HN 0.231 nan 8.210 nan 0.000 0.588 526 P HA 0.089 nan 4.420 nan 0.000 0.212 526 P C 0.373 177.694 177.300 0.034 0.000 1.816 526 P CA -0.058 63.058 63.100 0.027 0.000 0.944 526 P CB -0.041 31.670 31.700 0.018 0.000 1.896 527 V N -0.007 119.934 119.914 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 1.088 63.422 62.300 0.057 0.000 1.217 527 V CB -1.440 30.430 31.823 0.078 0.000 0.994 527 V HN 0.400 nan 8.190 nan 0.000 0.446 528 A N 0.215 123.057 122.820 0.037 0.000 2.795 528 A HA 0.688 5.008 4.320 -0.000 0.000 0.282 528 A C 0.351 177.949 177.584 0.024 0.000 0.964 528 A CA 0.317 52.373 52.037 0.031 0.000 1.045 528 A CB 0.295 19.312 19.000 0.027 0.000 1.174 528 A HN 0.548 nan 8.150 nan 0.000 0.493 529 S N -1.402 114.312 115.700 0.023 0.000 2.611 529 S HA 0.463 4.933 4.470 -0.000 0.000 0.268 529 S C -0.200 174.408 174.600 0.013 0.000 1.156 529 S CA -0.914 57.295 58.200 0.015 0.000 0.817 529 S CB 0.787 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 1.071 121.574 120.500 0.004 0.000 2.858 530 R HA 0.096 4.436 4.340 -0.000 0.000 0.228 530 R C 0.902 177.188 176.300 -0.022 0.000 1.471 530 R CA 0.762 56.860 56.100 -0.003 0.000 1.342 530 R CB -0.936 29.359 30.300 -0.008 0.000 1.152 530 R HN 0.816 nan 8.270 nan 0.000 0.521 531 T N -2.473 112.072 114.554 -0.016 0.000 3.278 531 T HA -0.005 4.345 4.350 -0.000 0.000 0.251 531 T C 0.223 174.896 174.700 -0.044 0.000 1.039 531 T CA -0.513 61.567 62.100 -0.034 0.000 0.935 531 T CB -0.086 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 3.543 123.921 120.400 -0.036 0.000 2.827 532 D HA -0.147 4.493 4.640 -0.000 0.000 0.217 532 D C 0.103 176.413 176.300 0.017 0.000 1.233 532 D CA 1.470 55.460 54.000 -0.018 0.000 0.618 532 D CB -1.195 39.469 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 0.310 54.335 54.000 0.042 0.000 0.894 533 D CB 0.498 41.322 40.800 0.040 0.000 1.183 533 D HN 0.033 nan 8.370 nan 0.000 0.472 534 S N -0.155 115.575 115.700 0.050 0.000 2.402 534 S HA -0.263 4.207 4.470 -0.000 0.000 0.233 534 S C 1.939 176.568 174.600 0.048 0.000 1.030 534 S CA 0.937 59.167 58.200 0.050 0.000 1.003 534 S CB -0.984 62.232 63.200 0.028 0.000 0.813 534 S HN 0.675 nan 8.310 nan 0.000 0.477 535 A N 2.390 125.235 122.820 0.042 0.000 1.832 535 A HA -0.019 4.301 4.320 -0.000 0.000 0.214 535 A C 2.595 180.201 177.584 0.037 0.000 1.200 535 A CA 2.249 54.300 52.037 0.024 0.000 0.610 535 A CB -1.832 17.185 19.000 0.029 0.000 0.842 535 A HN 0.769 nan 8.150 nan 0.000 0.444 536 T N -2.617 111.983 114.554 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 0.147 0.000 1.146 536 T CA 1.904 64.065 62.100 0.102 0.000 1.091 536 T CB -0.306 68.646 68.868 0.141 0.000 0.892 536 T HN 0.325 nan 8.240 nan 0.000 0.533 537 S N 0.036 115.838 115.700 0.170 0.000 2.421 537 S HA 0.360 4.830 4.470 -0.000 0.000 0.224 537 S C 2.444 177.067 174.600 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 62.680 63.200 0.289 0.000 0.810 537 S HN 0.722 nan 8.310 nan 0.000 0.497 538 A N 1.618 124.448 122.820 0.016 0.000 1.933 538 A HA 0.016 4.336 4.320 -0.000 0.000 0.218 538 A C 2.000 179.543 177.584 -0.068 0.000 1.175 538 A CA 1.440 53.460 52.037 -0.029 0.000 0.628 538 A CB -0.740 18.241 19.000 -0.033 0.000 0.814 538 A HN 0.613 nan 8.150 nan 0.000 0.444 539 I N -0.795 119.735 120.570 -0.067 0.000 2.252 539 I HA -0.182 3.988 4.170 -0.000 0.000 0.245 539 I C 2.327 178.359 176.117 -0.141 0.000 1.102 539 I CA 0.871 62.120 61.300 -0.084 0.000 1.385 539 I CB -0.365 37.602 38.000 -0.056 0.000 1.064 539 I HN 0.133 nan 8.210 nan 0.000 0.414 540 V N 1.211 120.989 119.914 -0.225 0.000 2.324 540 V HA -0.316 3.804 4.120 -0.000 0.000 0.250 540 V C 2.675 178.524 176.094 -0.409 0.000 1.060 540 V CA 2.443 64.474 62.300 -0.448 0.000 1.042 540 V CB -0.747 30.454 31.823 -1.037 0.000 0.650 540 V HN 0.636 nan 8.190 nan 0.000 0.450 541 S N -0.302 115.211 115.700 -0.313 0.000 2.423 541 S HA -0.165 4.305 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 -0.322 62.794 63.200 -0.139 0.000 0.785 541 S HN 0.471 nan 8.310 nan 0.000 0.495 542 R N 1.378 121.810 120.500 -0.114 0.000 2.062 542 R HA 0.236 4.576 4.340 -0.000 0.000 0.229 542 R C 2.406 178.673 176.300 -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 0.528 121.706 121.223 -0.075 0.000 2.043 543 L HA -0.209 4.131 4.340 -0.000 0.000 0.212 543 L C 2.628 179.497 176.870 -0.001 0.000 1.075 543 L CA 1.562 56.377 54.840 -0.041 0.000 0.752 543 L CB -0.836 41.177 42.059 -0.076 0.000 0.891 543 L HN 0.167 nan 8.230 nan 0.000 0.432 544 A N 0.091 122.886 122.820 -0.042 0.000 1.828 544 A HA -0.180 4.140 4.320 -0.000 0.000 0.215 544 A C 2.282 179.916 177.584 0.084 0.000 1.203 544 A CA 1.879 53.945 52.037 0.048 0.000 0.614 544 A CB -1.115 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 0.033 0.000 1.088 545 V CA 2.443 64.757 62.300 0.023 0.000 1.098 545 V CB -0.710 31.109 31.823 -0.006 0.000 0.674 545 V HN 0.716 nan 8.190 nan 0.000 0.470 546 Q N -0.230 119.594 119.800 0.040 0.000 2.013 546 Q HA -0.185 4.155 4.340 -0.000 0.000 0.195 546 Q C 2.366 178.403 176.000 0.063 0.000 0.974 546 Q CA 1.661 57.487 55.803 0.038 0.000 0.826 546 Q CB -0.545 28.210 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 1.685 177.012 175.328 -0.001 0.000 1.051 547 H CA 1.157 57.202 56.048 -0.006 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 1.045 121.526 120.400 0.135 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 0.837 57.175 56.287 0.087 0.000 0.952 548 K CB -0.101 32.479 32.500 0.133 0.000 0.729 548 K HN 0.435 nan 8.250 nan 0.000 0.446 549 L N -0.407 120.804 121.223 -0.020 0.000 2.341 549 L HA 0.114 4.454 4.340 -0.000 0.000 0.214 549 L C 1.800 178.633 176.870 -0.060 0.000 1.115 549 L CA 1.658 56.480 54.840 -0.030 0.000 0.820 549 L CB -1.104 40.947 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 1.932 176.442 174.600 -0.149 0.000 0.987 550 S CA 0.861 58.994 58.200 -0.111 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 0.921 120.609 119.800 -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 0.079 55.779 55.803 -0.170 0.000 0.911 551 Q CB -0.005 28.598 28.738 -0.224 0.000 1.032 551 Q HN 0.427 nan 8.270 nan 0.000 0.510 552 V N 1.103 120.979 119.914 -0.064 0.000 2.763 552 V HA 0.355 4.475 4.120 -0.000 0.000 0.306 552 V C 0.516 176.590 176.094 -0.033 0.000 1.059 552 V CA 0.813 63.091 62.300 -0.036 0.000 1.138 552 V CB 0.322 32.130 31.823 -0.024 0.000 0.940 552 V HN 0.607 nan 8.190 nan 0.000 0.489 553 G N 4.282 113.068 108.800 -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 0.110 119.898 119.800 -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 56.534 55.803 -0.020 0.000 0.246 554 Q CB -1.030 27.694 28.738 -0.024 0.000 0.635 554 Q HN 2.652 nan 8.270 nan 0.000 0.323 555 A N 2.474 125.285 122.820 -0.016 0.000 2.254 555 A HA -0.295 4.025 4.320 -0.000 0.000 0.224 555 A C 1.066 178.641 177.584 -0.014 0.000 1.184 555 A CA 2.656 54.686 52.037 -0.013 0.000 0.688 555 A CB -1.311 17.683 19.000 -0.011 0.000 0.821 555 A HN 2.206 nan 8.150 nan 0.000 0.498 556 S N -2.701 112.986 115.700 -0.021 0.000 3.425 556 S HA -0.195 4.275 4.470 -0.000 0.000 0.377 556 S C -0.516 174.075 174.600 -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 61.046 63.200 -0.017 0.000 0.908 556 S HN 0.741 nan 8.310 nan 0.000 0.472 557 P HA 0.060 nan 4.420 nan 0.000 0.228 557 P C 0.066 177.363 177.300 -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 3.328 117.880 114.554 -0.003 0.000 2.963 558 T HA 0.309 4.659 4.350 -0.000 0.000 0.343 558 T C -2.658 172.059 174.700 0.028 0.000 1.146 558 T CA -1.546 60.563 62.100 0.014 0.000 1.016 558 T CB 1.228 70.120 68.868 0.039 0.000 1.046 558 T HN 0.062 nan 8.240 nan 0.000 0.496 559 P HA 0.192 nan 4.420 nan 0.000 0.271 559 P C -2.369 174.883 177.300 -0.080 0.000 1.226 559 P CA -1.270 61.819 63.100 -0.018 0.000 0.765 559 P CB -0.240 31.438 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 -0.796 0.000 1.175 560 P CA 0.486 63.338 63.100 -0.413 0.000 0.763 560 P CB 0.762 32.204 31.700 -0.430 0.000 0.795 561 D N 1.203 121.166 120.400 -0.729 0.000 2.128 561 D HA -0.075 4.565 4.640 -0.000 0.000 0.213 561 D C 0.765 176.797 176.300 -0.446 0.000 0.983 561 D CA 1.101 54.819 54.000 -0.470 0.000 0.889 561 D CB -0.055 40.599 40.800 -0.244 0.000 1.018 561 D HN 0.683 nan 8.370 nan 0.000 0.448 562 Y N -3.309 116.951 120.300 -0.067 0.000 2.716 562 Y HA -0.281 4.269 4.550 -0.000 0.000 0.473 562 Y C -1.529 174.498 175.900 0.211 0.000 1.306 562 Y CA 0.342 58.456 58.100 0.024 0.000 2.486 562 Y CB -1.958 36.564 38.460 0.103 0.000 1.090 562 Y HN 0.185 nan 8.280 nan 0.000 0.556 563 P HA -0.152 nan 4.420 nan 0.000 0.216 563 P C 1.648 179.072 177.300 0.207 0.000 1.150 563 P CA 2.012 65.272 63.100 0.266 0.000 0.837 563 P CB -0.089 31.698 31.700 0.145 0.000 0.786 564 L N -1.681 119.613 121.223 0.119 0.000 2.179 564 L HA -0.019 4.321 4.340 -0.000 0.000 0.208 564 L C 2.073 178.973 176.870 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 -1.613 119.635 121.223 0.042 0.000 2.095 565 L HA -0.153 4.187 4.340 -0.000 0.000 0.204 565 L C 2.325 179.178 176.870 -0.030 0.000 1.080 565 L CA 1.522 56.341 54.840 -0.035 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 2.925 179.457 176.519 0.020 0.000 1.213 566 W CA 1.266 58.627 57.345 0.026 0.000 1.274 566 W CB -0.244 29.230 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 1.497 57.688 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 0.073 0.000 2.090 568 R HA -0.025 4.315 4.340 -0.000 0.000 0.228 568 R C 1.872 178.196 176.300 0.040 0.000 1.110 568 R CA 1.331 57.457 56.100 0.043 0.000 0.973 568 R CB -0.172 30.139 30.300 0.018 0.000 0.869 568 R HN 0.277 nan 8.270 nan 0.000 0.440 569 A N 0.640 123.479 122.820 0.032 0.000 2.067 569 A HA -0.088 4.232 4.320 -0.000 0.000 0.217 569 A C 1.942 179.567 177.584 0.068 0.000 1.156 569 A CA 1.068 53.118 52.037 0.022 0.000 0.683 569 A CB -0.166 18.809 19.000 -0.042 0.000 0.808 569 A HN 0.252 nan 8.150 nan 0.000 0.455 570 K N 0.945 121.409 120.400 0.106 0.000 2.057 570 K HA -0.141 4.179 4.320 -0.000 0.000 0.206 570 K C 2.157 178.809 176.600 0.087 0.000 1.050 570 K CA 1.685 58.040 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 -0.458 120.087 120.500 0.075 0.000 2.193 571 R HA 0.142 4.482 4.340 -0.000 0.000 0.213 571 R C 1.988 178.331 176.300 0.073 0.000 1.055 571 R CA 0.997 57.137 56.100 0.066 0.000 0.995 571 R CB -0.303 30.030 30.300 0.055 0.000 0.893 571 R HN 0.124 nan 8.270 nan 0.000 0.459 572 A N 1.846 124.708 122.820 0.069 0.000 1.855 572 A HA 0.066 4.386 4.320 -0.000 0.000 0.215 572 A C 2.519 180.167 177.584 0.107 0.000 1.191 572 A CA 1.381 53.463 52.037 0.075 0.000 0.613 572 A CB -0.803 18.225 19.000 0.047 0.000 0.829 572 A HN 0.485 nan 8.150 nan 0.000 0.442 573 A N -0.920 121.955 122.820 0.091 0.000 1.969 573 A HA -0.071 4.249 4.320 -0.000 0.000 0.218 573 A C 2.464 180.149 177.584 0.169 0.000 1.169 573 A CA 2.139 54.243 52.037 0.112 0.000 0.635 573 A CB -0.815 18.228 19.000 0.072 0.000 0.810 573 A HN 0.552 nan 8.150 nan 0.000 0.445 574 S N -0.958 114.817 115.700 0.124 0.000 2.357 574 S HA -0.154 4.316 4.470 -0.000 0.000 0.221 574 S C 2.090 176.752 174.600 0.103 0.000 1.031 574 S CA 1.557 59.821 58.200 0.106 0.000 0.982 574 S CB -0.395 62.851 63.200 0.076 0.000 0.853 574 S HN 0.592 nan 8.310 nan 0.000 0.458 575 M N -0.166 119.496 119.600 0.102 0.000 2.279 575 M HA -0.058 4.422 4.480 -0.000 0.000 0.264 575 M C 1.686 178.036 176.300 0.084 0.000 1.062 575 M CA 1.464 56.811 55.300 0.078 0.000 1.099 575 M CB -0.242 32.404 32.600 0.077 0.000 1.394 575 M HN 0.541 nan 8.290 nan 0.000 0.426 576 F N 0.108 120.071 119.950 0.021 0.000 2.053 576 F HA -0.137 4.390 4.527 -0.000 0.000 0.292 576 F C 1.859 177.669 175.800 0.018 0.000 1.125 576 F CA 1.760 59.772 58.000 0.020 0.000 1.193 576 F CB -0.696 38.315 39.000 0.019 0.000 0.996 576 F HN -0.132 nan 8.300 nan 0.000 0.470 577 V N 0.008 119.992 119.914 0.117 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 2.073 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 0.301 115.959 115.700 -0.070 0.000 2.380 578 S HA -0.193 4.277 4.470 -0.000 0.000 0.217 578 S C 1.219 175.751 174.600 -0.113 0.000 1.036 578 S CA 1.946 60.108 58.200 -0.064 0.000 1.050 578 S CB -0.312 62.874 63.200 -0.024 0.000 1.016 578 S HN 0.688 nan 8.310 nan 0.000 0.419 579 N N 0.735 119.352 118.700 -0.138 0.000 2.851 579 N HA 0.422 5.162 4.740 -0.000 0.000 0.248 579 N C -2.244 173.118 175.510 -0.246 0.000 1.221 579 N CA -2.095 50.869 53.050 -0.144 0.000 0.847 579 N CB 1.469 39.913 38.487 -0.071 0.000 1.150 579 N HN 0.041 nan 8.380 nan 0.000 0.507 580 P HA -0.287 nan 4.420 nan 0.000 0.220 580 P C 1.362 178.509 177.300 -0.255 0.000 1.155 580 P CA 1.103 63.816 63.100 -0.644 0.000 0.880 580 P CB 0.256 31.671 31.700 -0.477 0.000 0.790 581 S N -0.943 114.683 115.700 -0.124 0.000 2.369 581 S HA -0.233 4.237 4.470 -0.000 0.000 0.225 581 S C 1.889 176.496 174.600 0.012 0.000 1.043 581 S CA 1.572 59.756 58.200 -0.026 0.000 1.074 581 S CB -1.237 61.956 63.200 -0.013 0.000 0.962 581 S HN -0.000 nan 8.310 nan 0.000 0.433 582 L N 1.120 122.344 121.223 0.003 0.000 2.166 582 L HA -0.319 4.021 4.340 -0.000 0.000 0.228 582 L C 2.579 179.493 176.870 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 41.079 42.059 0.032 0.000 0.908 582 L HN 0.552 nan 8.230 nan 0.000 0.447 583 A N -0.910 121.980 122.820 0.116 0.000 2.292 583 A HA -0.073 4.247 4.320 -0.000 0.000 0.209 583 A C 1.932 179.586 177.584 0.117 0.000 1.209 583 A CA 1.072 53.202 52.037 0.154 0.000 0.746 583 A CB -0.507 18.656 19.000 0.271 0.000 0.764 583 A HN 0.527 nan 8.150 nan 0.000 0.492 584 L N -2.004 119.275 121.223 0.093 0.000 2.642 584 L HA 0.101 4.441 4.340 -0.000 0.000 0.233 584 L C 0.483 177.399 176.870 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 0.083 0.000 1.151 584 L HN 0.380 nan 8.230 nan 0.000 0.495 585 Q N 1.469 121.308 119.800 0.065 0.000 2.288 585 Q HA 0.253 4.593 4.340 -0.000 0.000 0.258 585 Q C -0.409 175.620 176.000 0.049 0.000 0.957 585 Q CA -0.410 55.425 55.803 0.053 0.000 0.919 585 Q CB 2.100 30.864 28.738 0.044 0.000 1.185 585 Q HN -0.031 nan 8.270 nan 0.000 0.408 586 V N 2.406 122.346 119.914 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 1.146 63.468 62.300 0.037 0.000 1.097 586 V CB 0.133 31.974 31.823 0.030 0.000 0.947 586 V HN 1.107 nan 8.190 nan 0.000 0.479 587 G N 4.916 113.735 108.800 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 -0.414 174.504 174.900 0.030 0.000 1.017 587 G CA -0.680 44.436 45.100 0.026 0.000 0.686 587 G HN 0.459 nan 8.290 nan 0.000 0.503 588 I N 2.169 122.761 120.570 0.037 0.000 2.355 588 I HA 0.340 4.510 4.170 -0.000 0.000 0.288 588 I C -1.819 174.322 176.117 0.041 0.000 0.999 588 I CA -3.085 58.240 61.300 0.041 0.000 1.163 588 I CB 1.295 39.326 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 0.492 63.612 63.100 0.033 0.000 0.760 589 P CB 1.152 32.871 31.700 0.031 0.000 0.773 590 V N 2.772 122.703 119.914 0.029 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 29.591 31.823 0.021 0.000 0.459 590 V HN 0.485 nan 8.190 nan 0.000 0.455 591 L N 0.860 122.109 121.223 0.043 0.000 2.195 591 L HA -0.335 4.005 4.340 -0.000 0.000 0.225 591 L C 2.244 179.146 176.870 0.054 0.000 1.096 591 L CA 2.978 57.854 54.840 0.060 0.000 0.814 591 L CB -0.771 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 0.679 175.400 174.700 0.035 0.000 1.089 592 T CA -0.211 61.918 62.100 0.048 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 1.554 121.369 119.800 0.024 0.000 2.299 593 Q HA 0.342 4.682 4.340 -0.000 0.000 0.246 593 Q C 1.460 177.468 176.000 0.013 0.000 0.935 593 Q CA -0.102 55.711 55.803 0.017 0.000 0.887 593 Q CB 1.418 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 1.318 117.026 115.700 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 1.250 59.456 58.200 0.011 0.000 1.026 594 S CB -0.761 62.447 63.200 0.012 0.000 0.845 594 S HN 0.845 nan 8.310 nan 0.000 0.465 595 G N 2.795 111.591 108.800 -0.006 0.000 2.604 595 G HA2 -0.042 3.918 3.960 -0.000 0.000 0.216 595 G HA3 -0.042 3.918 3.960 -0.000 0.000 0.216 595 G C 0.590 175.472 174.900 -0.030 0.000 1.265 595 G CA 1.079 46.169 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 1.350 177.603 176.300 -0.078 0.000 0.967 596 M CA 0.778 56.041 55.300 -0.060 0.000 1.027 596 M CB -0.160 32.410 32.600 -0.049 0.000 1.463 596 M HN 0.432 nan 8.290 nan 0.000 0.431 597 L N -1.146 119.991 121.223 -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 1.466 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 -0.721 114.940 115.700 -0.064 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 -0.054 0.000 1.030 598 S CA 2.147 60.322 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 1.530 124.311 122.820 -0.064 0.000 1.831 599 A HA 0.123 4.443 4.320 -0.000 0.000 0.213 599 A C 2.071 179.605 177.584 -0.083 0.000 1.223 599 A CA 1.374 53.372 52.037 -0.064 0.000 0.604 599 A CB -1.283 17.680 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 2.681 179.473 176.870 -0.129 0.000 1.092 600 L CA 4.069 58.818 54.840 -0.152 0.000 0.808 600 L CB -1.491 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 -2.114 112.350 114.554 -0.150 0.000 2.565 601 T HA -0.338 4.012 4.350 -0.000 0.000 0.265 601 T C 2.008 176.669 174.700 -0.066 0.000 1.082 601 T CA 2.838 64.875 62.100 -0.105 0.000 1.173 601 T CB -1.728 67.084 68.868 -0.093 0.000 0.864 601 T HN 0.729 nan 8.240 nan 0.000 0.425 602 S N 1.620 117.287 115.700 -0.055 0.000 2.461 602 S HA 0.025 4.495 4.470 -0.000 0.000 0.246 602 S C 2.117 176.698 174.600 -0.032 0.000 1.007 602 S CA 1.204 59.381 58.200 -0.038 0.000 0.976 602 S CB -1.376 61.804 63.200 -0.033 0.000 0.763 602 S HN 0.870 nan 8.310 nan 0.000 0.508 603 G N 1.339 110.116 108.800 -0.038 0.000 2.518 603 G HA2 0.006 3.966 3.960 -0.000 0.000 0.213 603 G HA3 0.006 3.966 3.960 -0.000 0.000 0.213 603 G C 1.347 176.235 174.900 -0.020 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 -0.027 0.000 2.418 604 V HA -0.229 3.891 4.120 -0.000 0.000 0.258 604 V C 3.010 179.096 176.094 -0.014 0.000 1.088 604 V CA 2.137 64.427 62.300 -0.017 0.000 1.091 604 V CB -1.309 30.499 31.823 -0.025 0.000 0.669 604 V HN 0.471 nan 8.190 nan 0.000 0.461 605 G N 0.362 109.150 108.800 -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 2.077 47.166 45.100 -0.018 0.000 0.811 605 G HN 0.579 nan 8.290 nan 0.000 0.594 606 T N -0.169 114.379 114.554 -0.011 0.000 2.822 606 T HA 0.037 4.387 4.350 -0.000 0.000 0.270 606 T C 2.460 177.158 174.700 -0.003 0.000 1.064 606 T CA 2.124 64.220 62.100 -0.007 0.000 1.131 606 T CB -0.432 68.432 68.868 -0.006 0.000 0.858 606 T HN 0.508 nan 8.240 nan 0.000 0.483 607 A N 1.705 124.524 122.820 -0.002 0.000 1.908 607 A HA 0.128 4.448 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 1.575 53.614 52.037 0.003 0.000 0.627 607 A CB -0.797 18.207 19.000 0.006 0.000 0.818 607 A HN 0.603 nan 8.150 nan 0.000 0.445 608 L N -1.559 119.664 121.223 0.001 0.000 2.156 608 L HA -0.032 4.308 4.340 -0.000 0.000 0.208 608 L C 1.834 178.704 176.870 -0.000 0.000 1.095 608 L CA 0.721 55.562 54.840 0.002 0.000 0.770 608 L CB -0.365 41.695 42.059 0.001 0.000 0.914 608 L HN 0.262 nan 8.230 nan 0.000 0.439 609 R N 0.338 120.836 120.500 -0.002 0.000 3.907 609 R HA 0.018 4.358 4.340 -0.000 0.000 0.241 609 R C 0.263 176.562 176.300 -0.003 0.000 1.784 609 R CA 0.666 56.764 56.100 -0.004 0.000 1.509 609 R CB -0.229 30.067 30.300 -0.006 0.000 1.275 609 R HN 0.413 nan 8.270 nan 0.000 0.642 610 T N -7.734 106.819 114.554 -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 0.046 62.145 62.100 -0.001 0.000 0.815 610 T CB -0.031 68.836 68.868 -0.000 0.000 1.215 610 T HN 0.238 nan 8.240 nan 0.000 0.815 611 G N 1.724 110.526 108.800 0.003 0.000 2.717 611 G HA2 -0.085 3.875 3.960 -0.000 0.000 0.224 611 G HA3 -0.085 3.875 3.960 -0.000 0.000 0.224 611 G C 1.032 175.936 174.900 0.005 0.000 1.088 611 G CA 1.570 46.673 45.100 0.005 0.000 0.734 611 G HN 0.943 nan 8.290 nan 0.000 0.616 612 S N -2.704 112.998 115.700 0.004 0.000 4.158 612 S HA -0.226 4.244 4.470 -0.000 0.000 0.615 612 S C 0.895 175.499 174.600 0.007 0.000 1.866 612 S CA 1.397 59.600 58.200 0.005 0.000 4.249 612 S CB -1.352 61.852 63.200 0.006 0.000 0.202 612 S HN 1.006 nan 8.310 nan 0.000 0.455 613 L N -1.255 119.976 121.223 0.013 0.000 1.967 613 L HA 0.401 4.741 4.340 -0.000 0.000 0.222 613 L C 1.102 177.986 176.870 0.024 0.000 1.189 613 L CA 0.988 55.839 54.840 0.018 0.000 1.303 613 L CB -0.476 41.597 42.059 0.023 0.000 2.607 613 L HN 0.588 nan 8.230 nan 0.000 0.524 614 G N 0.465 109.279 108.800 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 0.930 175.839 174.900 0.016 0.000 1.314 614 G CA 0.167 45.281 45.100 0.023 0.000 1.441 614 G HN 0.181 nan 8.290 nan 0.000 0.595 615 K N 0.333 120.742 120.400 0.015 0.000 2.283 615 K HA -0.020 4.300 4.320 -0.000 0.000 0.202 615 K C 2.243 178.850 176.600 0.012 0.000 1.048 615 K CA 0.960 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 0.866 109.675 108.800 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 0.252 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 1.102 121.022 119.914 0.010 0.000 2.913 617 V HA -0.013 4.107 4.120 -0.000 0.000 0.260 617 V C 1.369 177.465 176.094 0.004 0.000 1.098 617 V CA 1.270 63.573 62.300 0.006 0.000 1.121 617 V CB -0.631 31.194 31.823 0.004 0.000 0.714 617 V HN 0.270 nan 8.190 nan 0.000 0.487 618 T N 2.270 116.827 114.554 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 0.493 62.594 62.100 0.003 0.000 1.161 618 T CB 0.067 68.938 68.868 0.004 0.000 0.885 618 T HN 0.619 nan 8.240 nan 0.000 0.534 619 D N 1.445 121.846 120.400 0.001 0.000 2.811 619 D HA -0.220 4.420 4.640 -0.000 0.000 0.231 619 D C 0.958 177.260 176.300 0.004 0.000 1.157 619 D CA 0.837 54.838 54.000 0.002 0.000 0.716 619 D CB -0.992 39.810 40.800 0.004 0.000 1.077 619 D HN 0.757 nan 8.370 nan 0.000 0.428 620 A N -0.242 122.581 122.820 0.004 0.000 2.259 620 A HA 0.106 4.426 4.320 -0.000 0.000 0.208 620 A C 2.129 179.715 177.584 0.004 0.000 1.201 620 A CA 1.311 53.351 52.037 0.005 0.000 0.824 620 A CB 0.245 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 -0.115 115.587 115.700 0.002 0.000 2.355 621 S HA -0.064 4.406 4.470 -0.000 0.000 0.216 621 S C 1.724 176.326 174.600 0.002 0.000 1.037 621 S CA 1.062 59.263 58.200 0.002 0.000 0.955 621 S CB -0.243 62.957 63.200 -0.000 0.000 0.877 621 S HN 0.625 nan 8.310 nan 0.000 0.488 622 E N 0.925 121.127 120.200 0.003 0.000 2.150 622 E HA -0.084 4.266 4.350 -0.000 0.000 0.193 622 E C 2.097 178.700 176.600 0.004 0.000 0.985 622 E CA 0.648 57.050 56.400 0.003 0.000 0.814 622 E CB -0.077 29.625 29.700 0.003 0.000 0.752 622 E HN 0.441 nan 8.360 nan 0.000 0.466 623 K N 1.151 121.554 120.400 0.005 0.000 2.057 623 K HA -0.119 4.201 4.320 -0.000 0.000 0.207 623 K C 2.209 178.813 176.600 0.007 0.000 1.049 623 K CA 0.695 56.986 56.287 0.007 0.000 0.931 623 K CB -0.024 32.481 32.500 0.008 0.000 0.714 623 K HN 0.144 nan 8.250 nan 0.000 0.440 624 L N 0.902 122.129 121.223 0.006 0.000 2.005 624 L HA -0.163 4.177 4.340 -0.000 0.000 0.207 624 L C 2.671 179.544 176.870 0.006 0.000 1.072 624 L CA 1.230 56.074 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 0.455 120.958 120.500 0.005 0.000 2.159 625 R HA -0.165 4.175 4.340 -0.000 0.000 0.237 625 R C 1.834 178.137 176.300 0.005 0.000 1.131 625 R CA 1.479 57.582 56.100 0.005 0.000 0.982 625 R CB -0.349 29.953 30.300 0.004 0.000 0.868 625 R HN 0.538 nan 8.270 nan 0.000 0.453 626 A N 0.494 123.317 122.820 0.005 0.000 1.970 626 A HA -0.013 4.307 4.320 -0.000 0.000 0.216 626 A C 2.192 179.779 177.584 0.005 0.000 1.170 626 A CA 0.529 52.568 52.037 0.004 0.000 0.645 626 A CB -0.234 18.768 19.000 0.004 0.000 0.816 626 A HN 0.249 nan 8.150 nan 0.000 0.447 627 R N -0.585 119.919 120.500 0.007 0.000 2.092 627 R HA -0.103 4.237 4.340 -0.000 0.000 0.231 627 R C 2.285 178.592 176.300 0.011 0.000 1.119 627 R CA 1.521 57.627 56.100 0.010 0.000 0.970 627 R CB -0.248 30.060 30.300 0.013 0.000 0.864 627 R HN 0.645 nan 8.270 nan 0.000 0.440 628 Q N -0.236 119.571 119.800 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 1.518 57.328 55.803 0.012 0.000 0.855 628 Q CB 0.001 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 0.161 115.865 115.700 0.006 0.000 2.382 629 S HA -0.107 4.363 4.470 -0.000 0.000 0.228 629 S C 1.785 176.385 174.600 -0.000 0.000 1.027 629 S CA 0.866 59.068 58.200 0.003 0.000 0.991 629 S CB -0.070 63.130 63.200 0.001 0.000 0.823 629 S HN 0.328 nan 8.310 nan 0.000 0.469 630 L N 0.368 121.590 121.223 -0.001 0.000 2.095 630 L HA -0.012 4.328 4.340 -0.000 0.000 0.204 630 L C 2.966 179.830 176.870 -0.010 0.000 1.080 630 L CA 1.620 56.455 54.840 -0.009 0.000 0.759 630 L CB -1.010 41.045 42.059 -0.007 0.000 0.914 630 L HN 0.368 nan 8.230 nan 0.000 0.439 631 T N -0.877 113.680 114.554 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 0.937 63.047 62.100 0.017 0.000 1.131 631 T CB 0.025 68.916 68.868 0.038 0.000 0.871 631 T HN 0.055 nan 8.240 nan 0.000 0.479 632 V N 1.098 121.019 119.914 0.012 0.000 2.453 632 V HA 0.049 4.169 4.120 -0.000 0.000 0.247 632 V C 2.859 178.955 176.094 0.004 0.000 1.048 632 V CA 1.597 63.905 62.300 0.014 0.000 1.049 632 V CB -0.870 30.961 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 1.660 53.687 52.037 -0.016 0.000 0.645 633 A CB -0.331 18.655 19.000 -0.023 0.000 0.816 633 A HN 0.503 nan 8.150 nan 0.000 0.447 634 K N -0.555 119.804 120.400 -0.069 0.000 2.217 634 K HA -0.170 4.150 4.320 -0.000 0.000 0.202 634 K C 2.116 178.566 176.600 -0.249 0.000 1.051 634 K CA 1.431 57.618 56.287 -0.166 0.000 0.952 634 K CB -0.062 32.324 32.500 -0.190 0.000 0.736 634 K HN 0.368 nan 8.250 nan 0.000 0.453 635 Q N 0.880 120.635 119.800 -0.074 0.000 2.119 635 Q HA -0.030 4.310 4.340 -0.000 0.000 0.201 635 Q C 1.682 177.703 176.000 0.034 0.000 0.972 635 Q CA 1.839 57.668 55.803 0.043 0.000 0.847 635 Q CB -0.359 28.433 28.738 0.089 0.000 0.903 635 Q HN 0.368 nan 8.270 nan 0.000 0.433 636 A N -0.123 122.707 122.820 0.017 0.000 1.933 636 A HA -0.135 4.185 4.320 -0.000 0.000 0.218 636 A C 2.050 179.672 177.584 0.065 0.000 1.175 636 A CA 1.340 53.400 52.037 0.037 0.000 0.628 636 A CB -1.019 18.000 19.000 0.031 0.000 0.814 636 A HN 0.624 nan 8.150 nan 0.000 0.444 637 F N -0.447 119.417 119.950 -0.143 0.000 2.039 637 F HA -0.164 4.363 4.527 -0.000 0.000 0.294 637 F C 1.926 177.689 175.800 -0.062 0.000 1.130 637 F CA 1.697 59.603 58.000 -0.156 0.000 1.189 637 F CB -0.274 38.548 39.000 -0.297 0.000 0.983 637 F HN 0.198 nan 8.300 nan 0.000 0.471 638 F N 1.655 121.361 119.950 -0.406 0.000 2.184 638 F HA -0.263 4.264 4.527 -0.000 0.000 0.301 638 F C 2.307 177.920 175.800 -0.312 0.000 1.076 638 F CA 1.366 59.059 58.000 -0.513 0.000 1.295 638 F CB -1.355 37.509 39.000 -0.226 0.000 1.026 638 F HN 0.166 nan 8.300 nan 0.000 0.494 639 D N -0.370 120.042 120.400 0.019 0.000 2.178 639 D HA -0.149 4.491 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 1.059 55.066 54.000 0.012 0.000 0.841 639 D CB -0.228 40.590 40.800 0.030 0.000 0.953 639 D HN 0.441 nan 8.370 nan 0.000 0.478 640 Q N -0.044 119.733 119.800 -0.038 0.000 2.123 640 Q HA 0.013 4.353 4.340 -0.000 0.000 0.196 640 Q C 2.350 178.344 176.000 -0.010 0.000 0.958 640 Q CA 0.285 56.086 55.803 -0.003 0.000 0.841 640 Q CB 0.327 29.103 28.738 0.063 0.000 0.915 640 Q HN 0.195 nan 8.270 nan 0.000 0.455 641 I N 0.963 121.423 120.570 -0.183 0.000 2.315 641 I HA -0.216 3.954 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 1.746 62.901 61.300 -0.242 0.000 1.392 641 I CB -1.241 36.337 38.000 -0.703 0.000 1.065 641 I HN 0.327 nan 8.210 nan 0.000 0.424 642 G N 0.045 108.804 108.800 -0.069 0.000 2.484 642 G HA2 -0.156 3.804 3.960 -0.000 0.000 0.218 642 G HA3 -0.156 3.804 3.960 -0.000 0.000 0.218 642 G C 1.718 176.629 174.900 0.018 0.000 1.130 642 G CA 1.006 46.093 45.100 -0.021 0.000 0.784 642 G HN 0.550 nan 8.290 nan 0.000 0.543 643 S N 0.223 115.935 115.700 0.020 0.000 2.541 643 S HA 0.156 4.626 4.470 -0.000 0.000 0.219 643 S C 2.232 176.825 174.600 -0.011 0.000 1.025 643 S CA 0.278 58.481 58.200 0.004 0.000 0.917 643 S CB -0.572 62.621 63.200 -0.012 0.000 0.859 643 S HN 0.152 nan 8.310 nan 0.000 0.584 644 L N -0.150 121.043 121.223 -0.049 0.000 1.991 644 L HA -0.111 4.229 4.340 -0.000 0.000 0.221 644 L C 1.064 177.770 176.870 -0.272 0.000 1.079 644 L CA 1.481 56.173 54.840 -0.247 0.000 0.778 644 L CB -0.741 41.056 42.059 -0.437 0.000 0.893 644 L HN 0.469 nan 8.230 nan 0.000 0.437 645 W N 1.813 123.118 121.300 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 -0.272 29.249 29.460 0.102 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