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 1c0a_1_A DATA FIRST_RESID 1 DATA SEQUENCE MRTEYCGQLR LSHVGQQVTL CGWVNRRRDL GSLIFIDMRD REGIVQVFFD DATA SEQUENCE PDRADALKLA SELRNEFCIQ VTGTVRARDE KNINRDMATG EIEVLASSLT DATA SEQUENCE IINRADVLPL DSNHVNTEEA RLKYRYLDLR RPEMAQRLKT RAKITSLVRR DATA SEQUENCE FMDDHGFLDI ETPMLTKATP EGARDYLVPS RVHKGKFYAL PQSPQLFKQL DATA SEQUENCE LMMSGFDRYY QIVKCFRDED LRADRQPEFT QIDVETSFMT APQVREVMEA DATA SEQUENCE LVRHLWLEVK GVDLGDFPVM TFAEAERRYG SDKPDLRNPM ELTDVADLLK DATA SEQUENCE SVEFAVFAGP ANDPKGRVAA LRVPGGASLT RKQIDEYGNF VKIYGAKGLA DATA SEQUENCE YIKVNERAKG LEGINSPVAK FLNAEIIEDI LDRTAAQDGD MIFFGADNKK DATA SEQUENCE IVADAMGALR LKVGKDLGLT DESKWAPLWV IDFPMFEDDG EGGLTAMHHP DATA SEQUENCE FTSPKDMTAA ELKAAPENAV ANAYDMVING YEVGGGSVRI HNGDMQQTVF DATA SEQUENCE GILGINEEEQ REKFGFLLDA LKYGTPPHAG LAFGLDRLTM LLTGTDNIRD DATA SEQUENCE VIAFPKTTAA ACLMTEAPSF ANPTALAELS IQVVK 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 1 M HA 0.000 nan 4.480 nan 0.000 0.227 1 M C 0.000 176.236 176.300 -0.106 0.000 1.140 1 M CA 0.000 55.253 55.300 -0.079 0.000 0.988 1 M CB 0.000 32.551 32.600 -0.082 0.000 1.302 2 R N -0.567 119.853 120.500 -0.133 0.000 2.808 2 R HA 0.786 5.125 4.340 -0.000 0.000 0.272 2 R C 0.299 176.508 176.300 -0.150 0.000 0.995 2 R CA -0.146 55.850 56.100 -0.173 0.000 0.917 2 R CB 1.137 31.261 30.300 -0.294 0.000 1.217 2 R HN -0.005 nan 8.270 nan 0.000 0.471 3 T N -3.052 111.424 114.554 -0.131 0.000 2.959 3 T HA 0.286 4.636 4.350 -0.000 0.000 0.254 3 T C -0.023 174.625 174.700 -0.087 0.000 1.003 3 T CA -0.105 61.945 62.100 -0.084 0.000 0.950 3 T CB 0.173 69.012 68.868 -0.050 0.000 1.090 3 T HN 0.529 nan 8.240 nan 0.000 0.503 4 E N 0.206 120.322 120.200 -0.141 0.000 2.392 4 E HA 0.374 4.724 4.350 -0.000 0.000 0.279 4 E C -1.904 174.598 176.600 -0.162 0.000 0.964 4 E CA -0.750 55.584 56.400 -0.111 0.000 0.777 4 E CB 1.586 31.203 29.700 -0.139 0.000 1.249 4 E HN 0.303 nan 8.360 nan 0.000 0.449 5 Y N 0.340 120.615 120.300 -0.043 0.000 2.313 5 Y HA 0.088 4.638 4.550 -0.000 0.000 0.332 5 Y C 1.651 177.535 175.900 -0.026 0.000 1.071 5 Y CA -0.387 57.706 58.100 -0.013 0.000 1.169 5 Y CB 0.707 39.174 38.460 0.011 0.000 1.192 5 Y HN 0.608 nan 8.280 nan 0.000 0.487 6 C N 1.677 121.050 119.300 0.122 0.000 2.318 6 C HA -0.304 4.156 4.460 -0.000 0.000 0.272 6 C C 2.782 177.819 174.990 0.078 0.000 1.156 6 C CA 1.928 60.993 59.018 0.078 0.000 1.783 6 C CB -1.398 26.402 27.740 0.100 0.000 2.023 6 C HN 1.218 nan 8.230 nan 0.000 0.437 7 G N -0.935 107.931 108.800 0.110 0.000 2.564 7 G HA2 -0.184 3.776 3.960 -0.000 0.000 0.216 7 G HA3 -0.184 3.776 3.960 -0.000 0.000 0.216 7 G C 1.444 176.382 174.900 0.063 0.000 1.124 7 G CA 0.637 45.785 45.100 0.079 0.000 0.764 7 G HN 0.818 nan 8.290 nan 0.000 0.550 8 Q N -0.838 119.000 119.800 0.063 0.000 2.281 8 Q HA 0.303 4.643 4.340 -0.000 0.000 0.215 8 Q C 0.447 176.470 176.000 0.037 0.000 0.867 8 Q CA -0.398 55.441 55.803 0.060 0.000 0.940 8 Q CB 0.546 29.332 28.738 0.080 0.000 1.111 8 Q HN 0.361 nan 8.270 nan 0.000 0.513 9 L N 2.369 123.568 121.223 -0.040 0.000 2.499 9 L HA 0.096 4.436 4.340 -0.000 0.000 0.273 9 L C 0.400 177.356 176.870 0.143 0.000 1.195 9 L CA 0.428 55.228 54.840 -0.066 0.000 0.882 9 L CB 0.052 42.064 42.059 -0.078 0.000 1.133 9 L HN 0.068 nan 8.230 nan 0.000 0.483 10 R N 2.662 123.381 120.500 0.365 0.000 2.885 10 R HA 0.385 4.725 4.340 -0.000 0.000 0.260 10 R C 0.884 177.274 176.300 0.151 0.000 1.107 10 R CA -0.935 55.287 56.100 0.203 0.000 0.978 10 R CB 0.809 31.199 30.300 0.150 0.000 1.227 10 R HN 0.483 nan 8.270 nan 0.000 0.473 11 L N 0.985 122.247 121.223 0.066 0.000 2.043 11 L HA -0.242 4.098 4.340 -0.000 0.000 0.212 11 L C 2.236 179.108 176.870 0.004 0.000 1.075 11 L CA 2.202 57.061 54.840 0.032 0.000 0.752 11 L CB -0.543 41.522 42.059 0.011 0.000 0.891 11 L HN 0.732 nan 8.230 nan 0.000 0.432 12 S N -1.576 114.094 115.700 -0.049 0.000 2.488 12 S HA -0.238 4.232 4.470 -0.000 0.000 0.246 12 S C 1.409 175.871 174.600 -0.230 0.000 0.992 12 S CA 1.346 59.455 58.200 -0.151 0.000 0.963 12 S CB -0.662 62.404 63.200 -0.224 0.000 0.754 12 S HN 0.579 nan 8.310 nan 0.000 0.519 13 H N -0.141 118.933 119.070 0.007 0.000 2.575 13 H HA 0.421 4.977 4.556 -0.000 0.000 0.267 13 H C 0.174 175.503 175.328 0.001 0.000 0.966 13 H CA -0.090 55.962 56.048 0.007 0.000 1.165 13 H CB 0.304 30.073 29.762 0.013 0.000 1.433 13 H HN 0.191 nan 8.280 nan 0.000 0.544 14 V N 1.154 121.117 119.914 0.082 0.000 2.644 14 V HA 0.026 4.146 4.120 -0.000 0.000 0.305 14 V C 1.554 177.665 176.094 0.030 0.000 1.053 14 V CA 1.672 63.999 62.300 0.045 0.000 1.186 14 V CB 0.192 32.027 31.823 0.019 0.000 0.895 14 V HN 0.852 nan 8.190 nan 0.000 0.490 15 G N 3.279 112.093 108.800 0.023 0.000 2.213 15 G HA2 -0.207 3.753 3.960 -0.000 0.000 0.236 15 G HA3 -0.207 3.753 3.960 -0.000 0.000 0.236 15 G C 0.133 175.045 174.900 0.019 0.000 0.991 15 G CA 0.168 45.276 45.100 0.013 0.000 0.629 15 G HN 0.661 nan 8.290 nan 0.000 0.517 16 Q N 0.207 120.029 119.800 0.037 0.000 2.260 16 Q HA 0.539 4.879 4.340 -0.000 0.000 0.242 16 Q C 0.133 176.145 176.000 0.020 0.000 0.932 16 Q CA -0.319 55.507 55.803 0.038 0.000 0.891 16 Q CB 1.133 29.918 28.738 0.077 0.000 1.222 16 Q HN 0.441 nan 8.270 nan 0.000 0.453 17 Q N 1.708 121.515 119.800 0.011 0.000 2.257 17 Q HA 0.489 4.829 4.340 -0.000 0.000 0.255 17 Q C -1.195 174.800 176.000 -0.009 0.000 0.920 17 Q CA -0.560 55.241 55.803 -0.004 0.000 0.927 17 Q CB 1.204 29.939 28.738 -0.006 0.000 1.229 17 Q HN 0.528 nan 8.270 nan 0.000 0.433 18 V N 0.171 120.070 119.914 -0.024 0.000 3.078 18 V HA 0.738 4.857 4.120 -0.000 0.000 0.311 18 V C -0.826 175.240 176.094 -0.047 0.000 1.138 18 V CA -0.713 61.564 62.300 -0.039 0.000 1.007 18 V CB 2.234 34.022 31.823 -0.058 0.000 1.045 18 V HN 0.730 nan 8.190 nan 0.000 0.432 19 T N 3.986 118.504 114.554 -0.060 0.000 2.812 19 T HA 0.754 5.104 4.350 -0.000 0.000 0.282 19 T C -0.585 174.061 174.700 -0.090 0.000 0.990 19 T CA -0.297 61.764 62.100 -0.064 0.000 0.960 19 T CB 1.109 69.941 68.868 -0.061 0.000 0.948 19 T HN 0.698 nan 8.240 nan 0.000 0.438 20 L N 1.899 123.073 121.223 -0.081 0.000 2.346 20 L HA 0.705 5.045 4.340 -0.000 0.000 0.274 20 L C -0.601 176.203 176.870 -0.112 0.000 1.007 20 L CA -0.909 53.872 54.840 -0.097 0.000 0.818 20 L CB 1.811 43.837 42.059 -0.054 0.000 1.284 20 L HN 0.611 nan 8.230 nan 0.000 0.424 21 C N 1.905 121.112 119.300 -0.154 0.000 2.408 21 C HA 0.972 5.432 4.460 -0.000 0.000 0.321 21 C C 0.657 175.510 174.990 -0.228 0.000 1.245 21 C CA -0.223 58.673 59.018 -0.204 0.000 1.523 21 C CB 0.609 28.217 27.740 -0.221 0.000 2.178 21 C HN 1.072 nan 8.230 nan 0.000 0.488 22 G N 1.938 110.513 108.800 -0.374 0.000 2.392 22 G HA2 0.424 4.384 3.960 -0.000 0.000 0.260 22 G HA3 0.424 4.384 3.960 -0.000 0.000 0.260 22 G C -1.975 172.594 174.900 -0.551 0.000 1.226 22 G CA -0.375 44.482 45.100 -0.404 0.000 0.913 22 G HN 0.601 nan 8.290 nan 0.000 0.483 23 W N -0.321 121.030 121.300 0.084 0.000 2.882 23 W HA 0.554 5.214 4.660 -0.000 0.000 0.345 23 W C -0.494 176.081 176.519 0.092 0.000 1.125 23 W CA -0.696 56.708 57.345 0.098 0.000 1.167 23 W CB 2.042 31.560 29.460 0.096 0.000 1.431 23 W HN 0.301 nan 8.180 nan 0.000 0.543 24 V N 2.740 122.843 119.914 0.315 0.000 2.381 24 V HA -0.110 4.010 4.120 -0.000 0.000 0.257 24 V C 1.128 177.327 176.094 0.176 0.000 1.057 24 V CA 0.529 62.944 62.300 0.190 0.000 1.013 24 V CB 0.091 31.982 31.823 0.113 0.000 1.069 24 V HN 0.612 nan 8.190 nan 0.000 0.484 25 N N 4.903 123.693 118.700 0.150 0.000 2.109 25 N HA 0.035 4.775 4.740 -0.000 0.000 0.188 25 N C 0.741 176.287 175.510 0.060 0.000 1.034 25 N CA 0.747 53.859 53.050 0.105 0.000 0.846 25 N CB 0.384 38.927 38.487 0.093 0.000 1.010 25 N HN 0.558 nan 8.380 nan 0.000 0.425 26 R N -0.450 120.085 120.500 0.058 0.000 2.740 26 R HA 0.325 4.665 4.340 -0.000 0.000 0.273 26 R C -1.146 175.177 176.300 0.038 0.000 0.998 26 R CA -0.783 55.336 56.100 0.032 0.000 0.900 26 R CB 2.073 32.389 30.300 0.026 0.000 1.223 26 R HN 0.051 nan 8.270 nan 0.000 0.466 27 R N 2.647 123.153 120.500 0.010 0.000 2.483 27 R HA 0.407 4.747 4.340 -0.000 0.000 0.303 27 R C -1.336 174.978 176.300 0.023 0.000 0.987 27 R CA -0.762 55.342 56.100 0.007 0.000 0.881 27 R CB 1.371 31.630 30.300 -0.069 0.000 1.177 27 R HN 0.526 nan 8.270 nan 0.000 0.451 28 R N 2.388 122.942 120.500 0.089 0.000 2.287 28 R HA 0.197 4.537 4.340 -0.000 0.000 0.316 28 R C -1.027 175.347 176.300 0.124 0.000 1.050 28 R CA -0.470 55.703 56.100 0.120 0.000 0.983 28 R CB 0.942 31.356 30.300 0.190 0.000 1.140 28 R HN 0.461 nan 8.270 nan 0.000 0.528 29 D N 3.426 123.852 120.400 0.043 0.000 2.456 29 D HA 0.104 4.744 4.640 -0.000 0.000 0.219 29 D C -0.256 176.060 176.300 0.026 0.000 1.126 29 D CA -0.409 53.594 54.000 0.005 0.000 0.890 29 D CB 0.881 41.656 40.800 -0.042 0.000 1.025 29 D HN 0.277 nan 8.370 nan 0.000 0.511 30 L N 3.414 124.666 121.223 0.049 0.000 2.888 30 L HA 0.346 4.686 4.340 -0.000 0.000 0.237 30 L C 1.828 178.706 176.870 0.013 0.000 1.288 30 L CA 0.267 55.142 54.840 0.059 0.000 1.110 30 L CB 0.016 42.154 42.059 0.130 0.000 1.441 30 L HN 0.717 nan 8.230 nan 0.000 0.474 31 G N 0.025 108.817 108.800 -0.013 0.000 5.306 31 G HA2 -0.409 3.551 3.960 -0.000 0.000 0.318 31 G HA3 -0.409 3.551 3.960 -0.000 0.000 0.318 31 G C 1.078 175.951 174.900 -0.045 0.000 1.413 31 G CA 0.539 45.623 45.100 -0.025 0.000 0.981 31 G HN 0.474 nan 8.290 nan 0.000 0.788 32 S N 0.009 115.685 115.700 -0.039 0.000 2.597 32 S HA 0.708 5.178 4.470 -0.000 0.000 0.224 32 S C 0.065 174.608 174.600 -0.096 0.000 0.955 32 S CA 0.853 59.022 58.200 -0.052 0.000 0.933 32 S CB 0.770 63.956 63.200 -0.023 0.000 0.788 32 S HN 1.164 nan 8.310 nan 0.000 0.488 33 L N 1.136 122.282 121.223 -0.129 0.000 2.493 33 L HA 0.644 4.984 4.340 -0.000 0.000 0.265 33 L C -1.583 175.108 176.870 -0.298 0.000 0.954 33 L CA -0.560 54.114 54.840 -0.277 0.000 0.844 33 L CB 2.003 43.956 42.059 -0.177 0.000 1.302 33 L HN 0.237 nan 8.230 nan 0.000 0.405 34 I N 3.992 124.290 120.570 -0.453 0.000 2.533 34 I HA 0.408 4.578 4.170 -0.000 0.000 0.290 34 I C -1.279 174.653 176.117 -0.309 0.000 1.056 34 I CA -0.432 60.712 61.300 -0.260 0.000 1.057 34 I CB 1.933 39.822 38.000 -0.185 0.000 1.240 34 I HN 0.371 nan 8.210 nan 0.000 0.423 35 F N 6.206 126.180 119.950 0.040 0.000 2.436 35 F HA 0.544 5.071 4.527 -0.000 0.000 0.340 35 F C -0.030 175.836 175.800 0.110 0.000 1.113 35 F CA -0.672 57.395 58.000 0.111 0.000 1.022 35 F CB 1.567 40.633 39.000 0.109 0.000 1.128 35 F HN 0.077 nan 8.300 nan 0.000 0.466 36 I N 3.058 123.830 120.570 0.337 0.000 2.439 36 I HA 0.191 4.361 4.170 -0.000 0.000 0.285 36 I C -0.925 175.319 176.117 0.212 0.000 1.021 36 I CA -0.722 60.720 61.300 0.237 0.000 1.091 36 I CB 1.487 39.647 38.000 0.267 0.000 1.242 36 I HN 0.441 nan 8.210 nan 0.000 0.439 37 D N 7.050 127.546 120.400 0.160 0.000 2.336 37 D HA 0.287 4.927 4.640 -0.000 0.000 0.249 37 D C 0.066 176.447 176.300 0.134 0.000 1.213 37 D CA 0.141 54.221 54.000 0.134 0.000 0.870 37 D CB 1.163 42.022 40.800 0.098 0.000 1.076 37 D HN 0.365 nan 8.370 nan 0.000 0.483 38 M N 2.775 122.456 119.600 0.135 0.000 2.188 38 M HA 0.252 4.732 4.480 -0.000 0.000 0.357 38 M C -0.090 176.299 176.300 0.149 0.000 1.204 38 M CA -0.366 55.017 55.300 0.138 0.000 1.095 38 M CB 1.058 33.725 32.600 0.112 0.000 1.604 38 M HN 0.124 nan 8.290 nan 0.000 0.464 39 R N 3.100 123.723 120.500 0.204 0.000 2.670 39 R HA 0.517 4.857 4.340 -0.000 0.000 0.289 39 R C -1.774 174.739 176.300 0.355 0.000 0.965 39 R CA -0.479 55.763 56.100 0.236 0.000 0.899 39 R CB 1.448 31.878 30.300 0.217 0.000 1.173 39 R HN 0.852 nan 8.270 nan 0.000 0.456 40 D N 1.188 121.774 120.400 0.310 0.000 2.677 40 D HA 0.073 4.713 4.640 -0.000 0.000 0.298 40 D C 0.367 176.828 176.300 0.269 0.000 1.250 40 D CA -0.848 53.394 54.000 0.404 0.000 0.888 40 D CB 0.551 41.573 40.800 0.370 0.000 1.397 40 D HN 0.596 nan 8.370 nan 0.000 0.461 41 R N -0.405 120.246 120.500 0.251 0.000 2.249 41 R HA -0.089 4.251 4.340 -0.000 0.000 0.230 41 R C 0.366 176.687 176.300 0.035 0.000 1.121 41 R CA 1.131 57.292 56.100 0.102 0.000 0.997 41 R CB -0.347 29.988 30.300 0.058 0.000 0.867 41 R HN 0.325 nan 8.270 nan 0.000 0.465 42 E N 0.712 120.948 120.200 0.059 0.000 2.474 42 E HA 0.171 4.521 4.350 -0.000 0.000 0.194 42 E C 0.764 177.392 176.600 0.046 0.000 1.041 42 E CA 0.825 57.231 56.400 0.009 0.000 0.874 42 E CB 1.070 30.766 29.700 -0.006 0.000 0.914 42 E HN 0.583 nan 8.360 nan 0.000 0.498 43 G N 0.484 109.332 108.800 0.079 0.000 2.346 43 G HA2 -0.004 3.956 3.960 -0.000 0.000 0.294 43 G HA3 -0.004 3.956 3.960 -0.000 0.000 0.294 43 G C -1.155 173.800 174.900 0.092 0.000 1.294 43 G CA -0.881 44.261 45.100 0.069 0.000 0.962 43 G HN 0.018 nan 8.290 nan 0.000 0.508 44 I N -0.085 120.530 120.570 0.075 0.000 2.460 44 I HA 0.676 4.846 4.170 -0.000 0.000 0.298 44 I C -0.091 176.072 176.117 0.076 0.000 0.989 44 I CA -1.167 60.183 61.300 0.084 0.000 1.173 44 I CB 1.750 39.793 38.000 0.072 0.000 1.338 44 I HN 0.448 nan 8.210 nan 0.000 0.456 45 V N 5.676 125.641 119.914 0.085 0.000 2.789 45 V HA 0.294 4.414 4.120 -0.000 0.000 0.311 45 V C -0.631 175.522 176.094 0.099 0.000 1.073 45 V CA -0.431 61.916 62.300 0.077 0.000 0.921 45 V CB 2.205 34.064 31.823 0.060 0.000 1.009 45 V HN 0.837 nan 8.190 nan 0.000 0.426 46 Q N 3.773 123.639 119.800 0.110 0.000 2.295 46 Q HA 0.552 4.891 4.340 -0.000 0.000 0.259 46 Q C -1.348 174.751 176.000 0.166 0.000 0.976 46 Q CA -0.275 55.629 55.803 0.168 0.000 0.923 46 Q CB 1.500 30.358 28.738 0.199 0.000 1.185 46 Q HN 0.654 nan 8.270 nan 0.000 0.410 47 V N 5.643 125.665 119.914 0.180 0.000 2.398 47 V HA 0.359 4.479 4.120 -0.000 0.000 0.286 47 V C -0.655 175.480 176.094 0.068 0.000 1.026 47 V CA -0.627 61.719 62.300 0.077 0.000 0.868 47 V CB 1.025 32.894 31.823 0.076 0.000 0.982 47 V HN 0.694 nan 8.190 nan 0.000 0.443 48 F N 5.514 125.307 119.950 -0.262 0.000 2.420 48 F HA 0.696 5.223 4.527 -0.000 0.000 0.342 48 F C -0.819 174.640 175.800 -0.568 0.000 1.113 48 F CA -0.857 56.952 58.000 -0.320 0.000 1.059 48 F CB 1.055 39.928 39.000 -0.212 0.000 1.128 48 F HN 0.353 nan 8.300 nan 0.000 0.475 49 F N 4.702 124.104 119.950 -0.913 0.000 2.403 49 F HA 0.311 4.838 4.527 -0.000 0.000 0.355 49 F C -0.086 175.249 175.800 -0.774 0.000 1.119 49 F CA -0.738 56.890 58.000 -0.621 0.000 1.007 49 F CB 0.896 39.662 39.000 -0.390 0.000 1.194 49 F HN 0.364 nan 8.300 nan 0.000 0.443 50 D N 4.493 124.717 120.400 -0.293 0.000 2.326 50 D HA 0.323 4.963 4.640 -0.000 0.000 0.251 50 D C -1.619 174.651 176.300 -0.050 0.000 1.023 50 D CA -1.999 51.918 54.000 -0.137 0.000 0.966 50 D CB 1.875 42.713 40.800 0.064 0.000 1.156 50 D HN 0.154 nan 8.370 nan 0.000 0.494 51 P HA -0.024 nan 4.420 nan 0.000 0.245 51 P C 0.432 177.734 177.300 0.004 0.000 1.212 51 P CA 0.491 63.583 63.100 -0.015 0.000 0.774 51 P CB 0.519 32.212 31.700 -0.012 0.000 0.999 52 D N 0.669 121.079 120.400 0.016 0.000 2.178 52 D HA -0.103 4.537 4.640 -0.000 0.000 0.201 52 D C 0.919 177.230 176.300 0.019 0.000 0.980 52 D CA 0.922 54.936 54.000 0.023 0.000 0.842 52 D CB 0.151 40.974 40.800 0.039 0.000 0.948 52 D HN 0.018 nan 8.370 nan 0.000 0.472 53 R N -0.176 120.337 120.500 0.022 0.000 3.026 53 R HA 0.429 4.769 4.340 -0.000 0.000 0.317 53 R C 0.880 177.201 176.300 0.035 0.000 1.278 53 R CA 0.085 56.203 56.100 0.030 0.000 1.407 53 R CB 0.916 31.240 30.300 0.039 0.000 1.368 53 R HN -0.001 nan 8.270 nan 0.000 0.612 54 A N 1.052 123.881 122.820 0.015 0.000 2.001 54 A HA -0.304 4.016 4.320 -0.000 0.000 0.224 54 A C 1.583 179.168 177.584 0.002 0.000 1.203 54 A CA 2.125 54.164 52.037 0.003 0.000 0.667 54 A CB -0.164 18.834 19.000 -0.002 0.000 0.823 54 A HN 0.313 nan 8.150 nan 0.000 0.473 55 D N -0.685 119.722 120.400 0.011 0.000 2.084 55 D HA 0.015 4.654 4.640 -0.000 0.000 0.196 55 D C 2.393 178.700 176.300 0.013 0.000 0.985 55 D CA 1.643 55.647 54.000 0.007 0.000 0.826 55 D CB -0.567 40.240 40.800 0.012 0.000 0.978 55 D HN 0.420 nan 8.370 nan 0.000 0.456 56 A N 1.468 124.328 122.820 0.065 0.000 1.883 56 A HA -0.162 4.158 4.320 -0.000 0.000 0.217 56 A C 2.149 179.751 177.584 0.029 0.000 1.186 56 A CA 1.075 53.197 52.037 0.142 0.000 0.624 56 A CB -0.867 18.322 19.000 0.315 0.000 0.822 56 A HN 0.283 nan 8.150 nan 0.000 0.444 57 L N 0.156 121.421 121.223 0.071 0.000 1.990 57 L HA -0.223 4.116 4.340 -0.000 0.000 0.213 57 L C 2.308 179.075 176.870 -0.172 0.000 1.072 57 L CA 2.864 57.663 54.840 -0.069 0.000 0.755 57 L CB -1.090 40.951 42.059 -0.030 0.000 0.889 57 L HN 0.595 nan 8.230 nan 0.000 0.432 58 K N -0.687 119.653 120.400 -0.101 0.000 2.063 58 K HA -0.247 4.073 4.320 -0.000 0.000 0.208 58 K C 2.207 178.732 176.600 -0.126 0.000 1.048 58 K CA 1.748 57.976 56.287 -0.098 0.000 0.928 58 K CB -0.168 32.298 32.500 -0.057 0.000 0.713 58 K HN 0.272 nan 8.250 nan 0.000 0.442 59 L N 0.884 122.026 121.223 -0.135 0.000 2.027 59 L HA -0.009 4.331 4.340 -0.000 0.000 0.206 59 L C 2.171 178.903 176.870 -0.229 0.000 1.074 59 L CA 2.006 56.765 54.840 -0.134 0.000 0.745 59 L CB -0.809 41.194 42.059 -0.094 0.000 0.898 59 L HN 0.210 nan 8.230 nan 0.000 0.433 60 A N -0.939 121.618 122.820 -0.438 0.000 2.084 60 A HA -0.229 4.091 4.320 -0.000 0.000 0.221 60 A C 2.436 179.782 177.584 -0.396 0.000 1.161 60 A CA 1.798 53.443 52.037 -0.652 0.000 0.653 60 A CB -1.056 17.064 19.000 -1.468 0.000 0.802 60 A HN 0.689 nan 8.150 nan 0.000 0.457 61 S N -0.601 114.933 115.700 -0.278 0.000 2.481 61 S HA -0.069 4.401 4.470 -0.000 0.000 0.231 61 S C 1.369 175.872 174.600 -0.161 0.000 0.996 61 S CA 1.088 59.173 58.200 -0.191 0.000 0.942 61 S CB -0.275 62.843 63.200 -0.138 0.000 0.768 61 S HN 0.680 nan 8.310 nan 0.000 0.520 62 E N 0.140 120.254 120.200 -0.144 0.000 2.435 62 E HA 0.165 4.515 4.350 -0.000 0.000 0.195 62 E C -0.589 175.892 176.600 -0.198 0.000 1.029 62 E CA -0.253 56.092 56.400 -0.091 0.000 0.865 62 E CB 0.004 29.707 29.700 0.005 0.000 0.833 62 E HN 0.337 nan 8.360 nan 0.000 0.510 63 L N 2.138 123.194 121.223 -0.278 0.000 2.462 63 L HA 0.028 4.367 4.340 -0.000 0.000 0.272 63 L C 0.450 176.915 176.870 -0.677 0.000 1.166 63 L CA 0.988 55.545 54.840 -0.472 0.000 0.880 63 L CB 0.063 41.964 42.059 -0.264 0.000 1.142 63 L HN -0.060 nan 8.230 nan 0.000 0.473 64 R N 2.430 122.147 120.500 -1.304 0.000 2.919 64 R HA 0.372 4.712 4.340 -0.000 0.000 0.260 64 R C -0.363 175.666 176.300 -0.452 0.000 1.067 64 R CA -1.184 54.437 56.100 -0.798 0.000 1.003 64 R CB 0.736 30.582 30.300 -0.756 0.000 1.192 64 R HN 0.550 nan 8.270 nan 0.000 0.488 65 N N 2.201 120.808 118.700 -0.154 0.000 2.356 65 N HA -0.091 4.649 4.740 -0.000 0.000 0.252 65 N C -0.180 175.432 175.510 0.170 0.000 1.241 65 N CA 0.452 53.509 53.050 0.011 0.000 0.861 65 N CB 0.342 38.834 38.487 0.007 0.000 1.075 65 N HN 0.406 nan 8.380 nan 0.000 0.461 66 E N -0.264 120.080 120.200 0.240 0.000 3.801 66 E HA -0.229 4.121 4.350 -0.000 0.000 0.319 66 E C -0.650 176.297 176.600 0.579 0.000 0.784 66 E CA 0.875 57.498 56.400 0.372 0.000 1.183 66 E CB -1.339 28.500 29.700 0.231 0.000 1.601 66 E HN 0.381 nan 8.360 nan 0.000 0.441 67 F N 0.682 120.748 119.950 0.193 0.000 2.518 67 F HA 0.083 4.610 4.527 -0.000 0.000 0.359 67 F C 1.436 177.298 175.800 0.103 0.000 1.118 67 F CA -0.972 57.106 58.000 0.130 0.000 1.287 67 F CB 0.469 39.499 39.000 0.050 0.000 1.132 67 F HN 0.057 nan 8.300 nan 0.000 0.587 68 C N 7.729 127.079 119.300 0.082 0.000 2.325 68 C HA 0.747 5.207 4.460 -0.000 0.000 0.347 68 C C 0.009 174.883 174.990 -0.193 0.000 1.263 68 C CA -0.578 58.257 59.018 -0.305 0.000 1.806 68 C CB -1.979 25.552 27.740 -0.347 0.000 2.405 68 C HN 0.651 nan 8.230 nan 0.000 0.537 69 I N 3.588 124.026 120.570 -0.221 0.000 2.934 69 I HA 0.583 4.753 4.170 -0.000 0.000 0.306 69 I C -1.159 174.881 176.117 -0.129 0.000 1.110 69 I CA -0.714 60.523 61.300 -0.103 0.000 1.019 69 I CB 1.965 39.969 38.000 0.006 0.000 1.227 69 I HN 0.656 nan 8.210 nan 0.000 0.434 70 Q N 3.224 122.979 119.800 -0.074 0.000 2.330 70 Q HA 0.690 5.030 4.340 -0.000 0.000 0.269 70 Q C -2.087 173.904 176.000 -0.014 0.000 1.022 70 Q CA -0.695 55.067 55.803 -0.069 0.000 0.796 70 Q CB 2.479 31.172 28.738 -0.074 0.000 1.271 70 Q HN 0.716 nan 8.270 nan 0.000 0.450 71 V N 3.100 123.008 119.914 -0.010 0.000 2.588 71 V HA 0.474 4.594 4.120 -0.000 0.000 0.304 71 V C -0.517 175.569 176.094 -0.013 0.000 1.042 71 V CA -0.613 61.700 62.300 0.022 0.000 0.877 71 V CB 2.163 34.019 31.823 0.057 0.000 0.996 71 V HN 0.839 nan 8.190 nan 0.000 0.425 72 T N 3.530 118.077 114.554 -0.012 0.000 2.797 72 T HA 0.825 5.175 4.350 -0.000 0.000 0.279 72 T C 0.278 174.955 174.700 -0.039 0.000 0.991 72 T CA -0.080 62.004 62.100 -0.027 0.000 0.979 72 T CB 1.619 70.475 68.868 -0.021 0.000 0.943 72 T HN 1.123 nan 8.240 nan 0.000 0.444 73 G N 1.374 110.147 108.800 -0.045 0.000 2.619 73 G HA2 0.604 4.564 3.960 -0.000 0.000 0.305 73 G HA3 0.604 4.564 3.960 -0.000 0.000 0.305 73 G C -1.357 173.519 174.900 -0.039 0.000 1.330 73 G CA -0.682 44.384 45.100 -0.056 0.000 0.789 73 G HN 0.599 nan 8.290 nan 0.000 0.487 74 T N 0.392 114.924 114.554 -0.038 0.000 2.797 74 T HA 0.528 4.877 4.350 -0.000 0.000 0.279 74 T C -0.124 174.566 174.700 -0.017 0.000 0.991 74 T CA -0.334 61.753 62.100 -0.021 0.000 0.979 74 T CB 1.838 70.694 68.868 -0.019 0.000 0.943 74 T HN 0.436 nan 8.240 nan 0.000 0.444 75 V N 5.059 124.973 119.914 0.000 0.000 2.470 75 V HA 0.387 4.507 4.120 -0.000 0.000 0.276 75 V C 0.543 176.643 176.094 0.009 0.000 1.040 75 V CA -0.240 62.068 62.300 0.013 0.000 1.008 75 V CB -0.035 31.817 31.823 0.050 0.000 0.990 75 V HN 0.829 nan 8.190 nan 0.000 0.477 76 R N 4.427 124.924 120.500 -0.004 0.000 2.574 76 R HA 0.799 5.139 4.340 -0.000 0.000 0.288 76 R C -0.473 175.816 176.300 -0.018 0.000 1.004 76 R CA -0.666 55.423 56.100 -0.018 0.000 0.895 76 R CB 1.659 31.933 30.300 -0.044 0.000 1.191 76 R HN 0.626 nan 8.270 nan 0.000 0.444 77 A N 4.226 127.039 122.820 -0.012 0.000 2.546 77 A HA 0.119 4.439 4.320 -0.000 0.000 0.243 77 A C 0.325 177.891 177.584 -0.030 0.000 1.063 77 A CA -0.267 51.763 52.037 -0.011 0.000 0.757 77 A CB 0.089 19.084 19.000 -0.009 0.000 0.991 77 A HN 0.908 nan 8.150 nan 0.000 0.503 78 R N 2.710 123.194 120.500 -0.025 0.000 2.531 78 R HA 0.282 4.622 4.340 -0.000 0.000 0.273 78 R C -1.187 175.093 176.300 -0.034 0.000 1.070 78 R CA -0.799 55.277 56.100 -0.041 0.000 1.112 78 R CB 0.529 30.816 30.300 -0.022 0.000 1.049 78 R HN 0.593 nan 8.270 nan 0.000 0.508 79 D N 2.250 122.624 120.400 -0.043 0.000 2.586 79 D HA -0.096 4.544 4.640 -0.000 0.000 0.234 79 D C 0.979 177.268 176.300 -0.018 0.000 1.132 79 D CA 0.522 54.504 54.000 -0.030 0.000 0.860 79 D CB 0.825 41.607 40.800 -0.030 0.000 1.159 79 D HN 0.720 nan 8.370 nan 0.000 0.490 80 E N 3.472 123.663 120.200 -0.014 0.000 2.279 80 E HA -0.296 4.053 4.350 -0.000 0.000 0.205 80 E C 1.612 178.207 176.600 -0.009 0.000 1.028 80 E CA 1.637 58.032 56.400 -0.010 0.000 0.830 80 E CB 0.068 29.763 29.700 -0.008 0.000 0.736 80 E HN 0.508 nan 8.360 nan 0.000 0.478 81 K N -0.248 120.147 120.400 -0.009 0.000 1.985 81 K HA -0.145 4.174 4.320 -0.000 0.000 0.210 81 K C 1.627 178.221 176.600 -0.009 0.000 1.047 81 K CA 1.618 57.901 56.287 -0.007 0.000 0.932 81 K CB -0.182 32.316 32.500 -0.003 0.000 0.716 81 K HN 0.175 nan 8.250 nan 0.000 0.439 82 N N 1.655 120.349 118.700 -0.009 0.000 2.331 82 N HA -0.090 4.650 4.740 -0.000 0.000 0.180 82 N C 0.848 176.348 175.510 -0.016 0.000 1.019 82 N CA 0.609 53.651 53.050 -0.013 0.000 0.881 82 N CB -0.683 37.804 38.487 -0.000 0.000 0.972 82 N HN 0.368 nan 8.380 nan 0.000 0.435 83 I N 1.105 121.669 120.570 -0.010 0.000 3.015 83 I HA -0.107 4.063 4.170 -0.000 0.000 0.309 83 I C 0.195 176.306 176.117 -0.009 0.000 1.229 83 I CA -0.177 61.120 61.300 -0.006 0.000 1.430 83 I CB -0.131 37.867 38.000 -0.004 0.000 1.347 83 I HN -0.112 nan 8.210 nan 0.000 0.544 84 N N 6.029 124.724 118.700 -0.008 0.000 2.444 84 N HA 0.248 4.988 4.740 -0.000 0.000 0.271 84 N C 0.365 175.873 175.510 -0.004 0.000 1.069 84 N CA -0.375 52.668 53.050 -0.011 0.000 0.965 84 N CB 0.955 39.433 38.487 -0.014 0.000 1.092 84 N HN 0.696 nan 8.380 nan 0.000 0.476 85 R N 1.608 122.105 120.500 -0.005 0.000 2.317 85 R HA 0.137 4.477 4.340 -0.000 0.000 0.208 85 R C -0.188 176.111 176.300 -0.001 0.000 0.914 85 R CA 0.225 56.324 56.100 -0.002 0.000 1.060 85 R CB 0.572 30.870 30.300 -0.003 0.000 1.015 85 R HN 0.500 nan 8.270 nan 0.000 0.498 86 D N 0.142 120.541 120.400 -0.003 0.000 2.349 86 D HA 0.113 4.753 4.640 -0.000 0.000 0.214 86 D C 0.123 176.425 176.300 0.002 0.000 1.063 86 D CA 0.590 54.589 54.000 -0.002 0.000 0.847 86 D CB 0.491 41.288 40.800 -0.006 0.000 0.933 86 D HN 0.141 nan 8.370 nan 0.000 0.513 87 M N -0.115 119.489 119.600 0.006 0.000 2.321 87 M HA 0.430 4.910 4.480 -0.000 0.000 0.315 87 M C 0.949 177.260 176.300 0.018 0.000 1.052 87 M CA -0.669 54.640 55.300 0.014 0.000 0.936 87 M CB 2.634 35.245 32.600 0.018 0.000 1.639 87 M HN -0.232 nan 8.290 nan 0.000 0.433 88 A N 1.052 123.885 122.820 0.022 0.000 2.024 88 A HA -0.100 4.220 4.320 -0.000 0.000 0.220 88 A C 1.713 179.318 177.584 0.035 0.000 1.164 88 A CA 2.205 54.258 52.037 0.026 0.000 0.643 88 A CB -0.822 18.194 19.000 0.027 0.000 0.806 88 A HN 0.893 nan 8.150 nan 0.000 0.451 89 T N -3.828 110.749 114.554 0.038 0.000 3.206 89 T HA 0.355 4.705 4.350 -0.000 0.000 0.253 89 T C 1.501 176.224 174.700 0.038 0.000 1.042 89 T CA 0.747 62.873 62.100 0.044 0.000 0.931 89 T CB 0.217 69.114 68.868 0.048 0.000 1.029 89 T HN 0.305 nan 8.240 nan 0.000 0.564 90 G N 2.342 111.159 108.800 0.028 0.000 2.469 90 G HA2 -0.191 3.769 3.960 -0.000 0.000 0.219 90 G HA3 -0.191 3.769 3.960 -0.000 0.000 0.219 90 G C 1.211 176.122 174.900 0.018 0.000 1.150 90 G CA 0.419 45.531 45.100 0.020 0.000 0.763 90 G HN 0.659 nan 8.290 nan 0.000 0.561 91 E N 0.012 120.224 120.200 0.019 0.000 2.461 91 E HA 0.237 4.587 4.350 -0.000 0.000 0.196 91 E C 0.195 176.806 176.600 0.018 0.000 1.129 91 E CA -0.060 56.349 56.400 0.015 0.000 0.902 91 E CB -0.341 29.367 29.700 0.014 0.000 0.963 91 E HN 0.690 nan 8.360 nan 0.000 0.503 92 I N -2.878 117.707 120.570 0.025 0.000 3.298 92 I HA 0.449 4.619 4.170 -0.000 0.000 0.315 92 I C -1.311 174.826 176.117 0.034 0.000 1.293 92 I CA -1.197 60.119 61.300 0.026 0.000 0.926 92 I CB 1.900 39.925 38.000 0.041 0.000 1.321 92 I HN -0.089 nan 8.210 nan 0.000 0.487 93 E N 0.481 120.698 120.200 0.029 0.000 2.422 93 E HA 0.645 4.995 4.350 -0.000 0.000 0.280 93 E C -1.649 174.966 176.600 0.024 0.000 1.091 93 E CA -1.178 55.251 56.400 0.048 0.000 0.849 93 E CB 2.176 31.919 29.700 0.072 0.000 1.353 93 E HN 1.241 nan 8.360 nan 0.000 0.449 94 V N -0.219 119.710 119.914 0.026 0.000 2.448 94 V HA 0.511 4.630 4.120 -0.000 0.000 0.295 94 V C -0.348 175.722 176.094 -0.040 0.000 1.025 94 V CA -1.076 61.216 62.300 -0.013 0.000 0.859 94 V CB 1.441 33.249 31.823 -0.025 0.000 0.988 94 V HN 0.702 nan 8.190 nan 0.000 0.431 95 L N 5.528 126.723 121.223 -0.046 0.000 2.385 95 L HA 0.592 4.932 4.340 -0.000 0.000 0.281 95 L C 0.747 177.532 176.870 -0.141 0.000 1.106 95 L CA 0.434 55.243 54.840 -0.051 0.000 0.856 95 L CB 0.642 42.687 42.059 -0.024 0.000 1.186 95 L HN 1.057 nan 8.230 nan 0.000 0.453 96 A N 3.934 126.561 122.820 -0.323 0.000 2.451 96 A HA 0.360 4.680 4.320 -0.000 0.000 0.266 96 A C 1.033 178.502 177.584 -0.191 0.000 1.119 96 A CA 0.262 52.063 52.037 -0.392 0.000 0.786 96 A CB 0.169 18.538 19.000 -1.052 0.000 1.061 96 A HN 0.917 nan 8.150 nan 0.000 0.503 97 S N 1.146 116.793 115.700 -0.088 0.000 2.514 97 S HA 0.323 4.793 4.470 -0.000 0.000 0.223 97 S C 0.669 175.273 174.600 0.007 0.000 1.046 97 S CA 0.508 58.690 58.200 -0.031 0.000 0.914 97 S CB 0.068 63.254 63.200 -0.023 0.000 0.807 97 S HN 0.974 nan 8.310 nan 0.000 0.497 98 S N 0.412 116.121 115.700 0.016 0.000 2.546 98 S HA 0.687 5.156 4.470 -0.000 0.000 0.272 98 S C -1.834 172.820 174.600 0.090 0.000 1.140 98 S CA -0.734 57.497 58.200 0.051 0.000 0.920 98 S CB 1.517 64.730 63.200 0.021 0.000 1.083 98 S HN 0.446 nan 8.310 nan 0.000 0.476 99 L N 4.092 125.389 121.223 0.125 0.000 2.365 99 L HA 0.867 5.207 4.340 -0.000 0.000 0.273 99 L C -0.923 175.981 176.870 0.056 0.000 1.000 99 L CA 0.291 55.211 54.840 0.133 0.000 0.819 99 L CB 2.160 44.339 42.059 0.200 0.000 1.284 99 L HN 0.660 nan 8.230 nan 0.000 0.418 100 T N 6.008 120.582 114.554 0.032 0.000 2.881 100 T HA 0.552 4.902 4.350 -0.000 0.000 0.290 100 T C -0.319 174.378 174.700 -0.005 0.000 1.000 100 T CA -0.168 61.934 62.100 0.004 0.000 0.978 100 T CB 1.135 69.995 68.868 -0.013 0.000 0.997 100 T HN 0.463 nan 8.240 nan 0.000 0.443 101 I N 4.777 125.344 120.570 -0.004 0.000 2.287 101 I HA 0.162 4.332 4.170 -0.000 0.000 0.290 101 I C 1.152 177.238 176.117 -0.051 0.000 1.069 101 I CA -0.600 60.697 61.300 -0.005 0.000 1.237 101 I CB 0.665 38.685 38.000 0.033 0.000 1.418 101 I HN 0.619 nan 8.210 nan 0.000 0.481 102 I N 4.140 124.662 120.570 -0.079 0.000 2.179 102 I HA -0.111 4.059 4.170 -0.000 0.000 0.242 102 I C 0.779 176.836 176.117 -0.100 0.000 1.088 102 I CA 1.454 62.697 61.300 -0.095 0.000 1.357 102 I CB -0.791 37.130 38.000 -0.132 0.000 1.051 102 I HN 0.610 nan 8.210 nan 0.000 0.409 103 N N -0.061 118.562 118.700 -0.128 0.000 2.431 103 N HA 0.285 5.025 4.740 -0.000 0.000 0.275 103 N C -0.512 174.795 175.510 -0.338 0.000 1.091 103 N CA -0.507 52.443 53.050 -0.167 0.000 0.922 103 N CB 2.518 40.950 38.487 -0.090 0.000 1.666 103 N HN -0.018 nan 8.380 nan 0.000 0.484 104 R N 0.499 120.685 120.500 -0.523 0.000 2.652 104 R HA 0.723 5.063 4.340 -0.000 0.000 0.271 104 R C -0.229 175.639 176.300 -0.720 0.000 1.129 104 R CA -0.484 54.889 56.100 -1.213 0.000 1.200 104 R CB 0.593 30.365 30.300 -0.879 0.000 1.146 104 R HN 0.547 nan 8.270 nan 0.000 0.581 105 A N 1.526 123.917 122.820 -0.715 0.000 2.353 105 A HA 0.314 4.634 4.320 -0.000 0.000 0.299 105 A C -0.998 176.645 177.584 0.098 0.000 1.089 105 A CA -0.897 51.117 52.037 -0.039 0.000 0.736 105 A CB 1.051 20.199 19.000 0.247 0.000 1.195 105 A HN 0.591 nan 8.150 nan 0.000 0.447 106 D N 0.504 120.940 120.400 0.059 0.000 2.273 106 D HA 0.253 4.893 4.640 -0.000 0.000 0.247 106 D C 0.785 177.145 176.300 0.100 0.000 1.313 106 D CA 0.070 54.116 54.000 0.077 0.000 0.974 106 D CB 0.242 41.071 40.800 0.049 0.000 1.157 106 D HN 0.452 nan 8.370 nan 0.000 0.533 107 V N 0.390 120.344 119.914 0.066 0.000 2.485 107 V HA 0.029 4.149 4.120 -0.000 0.000 0.287 107 V C 0.447 176.540 176.094 -0.000 0.000 1.022 107 V CA -0.725 61.599 62.300 0.041 0.000 1.067 107 V CB -0.472 31.366 31.823 0.024 0.000 0.967 107 V HN 0.191 nan 8.190 nan 0.000 0.479 108 L N 7.104 128.324 121.223 -0.007 0.000 2.499 108 L HA 0.202 4.542 4.340 -0.000 0.000 0.273 108 L C -1.088 175.689 176.870 -0.154 0.000 1.195 108 L CA -0.877 53.923 54.840 -0.067 0.000 0.882 108 L CB 0.296 42.332 42.059 -0.038 0.000 1.133 108 L HN 0.568 nan 8.230 nan 0.000 0.483 109 P HA 0.189 nan 4.420 nan 0.000 0.249 109 P C -0.302 176.813 177.300 -0.310 0.000 1.229 109 P CA 0.570 63.382 63.100 -0.480 0.000 0.788 109 P CB 0.358 31.262 31.700 -1.327 0.000 1.072 110 L N -0.236 120.867 121.223 -0.200 0.000 2.476 110 L HA 0.373 4.713 4.340 -0.000 0.000 0.269 110 L C -0.629 176.205 176.870 -0.059 0.000 0.965 110 L CA -0.766 54.018 54.840 -0.094 0.000 0.845 110 L CB 2.573 44.579 42.059 -0.089 0.000 1.259 110 L HN -0.202 nan 8.230 nan 0.000 0.403 111 D N 1.427 121.819 120.400 -0.012 0.000 2.359 111 D HA 0.110 4.750 4.640 -0.000 0.000 0.230 111 D C 1.103 177.321 176.300 -0.137 0.000 1.118 111 D CA -0.131 53.828 54.000 -0.069 0.000 0.844 111 D CB 1.799 42.589 40.800 -0.017 0.000 1.059 111 D HN 0.598 nan 8.370 nan 0.000 0.493 112 S N 2.713 118.335 115.700 -0.130 0.000 2.500 112 S HA -0.155 4.315 4.470 -0.000 0.000 0.239 112 S C 1.193 175.692 174.600 -0.167 0.000 0.989 112 S CA 0.660 58.792 58.200 -0.114 0.000 0.951 112 S CB -0.339 62.814 63.200 -0.077 0.000 0.759 112 S HN 0.540 nan 8.310 nan 0.000 0.523 113 N N 0.778 119.282 118.700 -0.327 0.000 2.494 113 N HA 0.040 4.780 4.740 -0.000 0.000 0.182 113 N C -0.163 175.137 175.510 -0.350 0.000 1.076 113 N CA 0.451 53.279 53.050 -0.368 0.000 0.908 113 N CB 0.144 38.354 38.487 -0.461 0.000 0.967 113 N HN 0.536 nan 8.380 nan 0.000 0.449 114 H N -0.848 118.214 119.070 -0.013 0.000 2.731 114 H HA 0.277 4.833 4.556 -0.000 0.000 0.368 114 H C -0.501 174.820 175.328 -0.012 0.000 1.168 114 H CA -0.845 55.196 56.048 -0.012 0.000 1.181 114 H CB 1.053 30.808 29.762 -0.011 0.000 1.743 114 H HN -0.311 nan 8.280 nan 0.000 0.547 115 V N 3.353 123.345 119.914 0.130 0.000 2.415 115 V HA -0.001 4.119 4.120 -0.000 0.000 0.267 115 V C 0.620 176.756 176.094 0.070 0.000 1.042 115 V CA -0.326 62.013 62.300 0.066 0.000 1.000 115 V CB -0.556 31.292 31.823 0.041 0.000 1.015 115 V HN 0.580 nan 8.190 nan 0.000 0.478 116 N N 2.720 121.455 118.700 0.058 0.000 2.483 116 N HA 0.239 4.979 4.740 -0.000 0.000 0.269 116 N C 0.462 175.992 175.510 0.034 0.000 1.209 116 N CA -0.216 52.865 53.050 0.052 0.000 0.969 116 N CB 1.405 39.920 38.487 0.046 0.000 1.173 116 N HN 0.738 nan 8.380 nan 0.000 0.475 117 T N -2.088 112.485 114.554 0.031 0.000 2.940 117 T HA -0.006 4.343 4.350 -0.000 0.000 0.309 117 T C 1.201 175.919 174.700 0.030 0.000 1.056 117 T CA -0.302 61.815 62.100 0.027 0.000 1.137 117 T CB 0.933 69.816 68.868 0.026 0.000 0.976 117 T HN 0.539 nan 8.240 nan 0.000 0.547 118 E N 1.007 121.222 120.200 0.025 0.000 2.118 118 E HA -0.217 4.133 4.350 -0.000 0.000 0.195 118 E C 2.000 178.618 176.600 0.029 0.000 0.992 118 E CA 1.747 58.162 56.400 0.025 0.000 0.804 118 E CB -0.106 29.607 29.700 0.023 0.000 0.741 118 E HN 0.908 nan 8.360 nan 0.000 0.458 119 E N -0.525 119.694 120.200 0.032 0.000 2.051 119 E HA -0.233 4.117 4.350 -0.000 0.000 0.192 119 E C 1.956 178.586 176.600 0.049 0.000 0.991 119 E CA 1.111 57.531 56.400 0.034 0.000 0.799 119 E CB -0.217 29.503 29.700 0.033 0.000 0.748 119 E HN 0.356 nan 8.360 nan 0.000 0.449 120 A N 1.182 124.045 122.820 0.072 0.000 1.902 120 A HA -0.162 4.158 4.320 -0.000 0.000 0.217 120 A C 2.142 179.807 177.584 0.135 0.000 1.181 120 A CA 1.390 53.508 52.037 0.134 0.000 0.623 120 A CB -0.447 18.620 19.000 0.113 0.000 0.818 120 A HN 0.183 nan 8.150 nan 0.000 0.443 121 R N -1.033 119.509 120.500 0.069 0.000 2.096 121 R HA -0.079 4.261 4.340 -0.000 0.000 0.235 121 R C 1.751 178.066 176.300 0.025 0.000 1.127 121 R CA 1.168 57.292 56.100 0.040 0.000 0.968 121 R CB -0.342 29.969 30.300 0.019 0.000 0.861 121 R HN 0.355 nan 8.270 nan 0.000 0.440 122 L N 0.987 122.224 121.223 0.023 0.000 2.095 122 L HA -0.061 4.279 4.340 -0.000 0.000 0.204 122 L C 2.259 179.115 176.870 -0.023 0.000 1.080 122 L CA 1.622 56.473 54.840 0.018 0.000 0.759 122 L CB -0.940 41.133 42.059 0.023 0.000 0.914 122 L HN 0.066 nan 8.230 nan 0.000 0.439 123 K N -0.509 119.852 120.400 -0.065 0.000 2.032 123 K HA -0.206 4.114 4.320 -0.000 0.000 0.209 123 K C 0.444 176.756 176.600 -0.480 0.000 1.048 123 K CA 1.658 57.798 56.287 -0.244 0.000 0.927 123 K CB -0.143 32.204 32.500 -0.255 0.000 0.712 123 K HN 0.234 nan 8.250 nan 0.000 0.441 124 Y N 0.389 120.609 120.300 -0.134 0.000 2.813 124 Y HA 0.229 4.779 4.550 -0.000 0.000 0.378 124 Y C 1.019 176.647 175.900 -0.453 0.000 1.023 124 Y CA -0.683 57.166 58.100 -0.419 0.000 1.567 124 Y CB 0.636 38.860 38.460 -0.394 0.000 1.492 124 Y HN 0.020 nan 8.280 nan 0.000 0.533 125 R N 0.850 121.275 120.500 -0.126 0.000 2.117 125 R HA -0.264 4.076 4.340 -0.000 0.000 0.243 125 R C 1.613 177.930 176.300 0.029 0.000 1.143 125 R CA 2.349 58.462 56.100 0.021 0.000 0.968 125 R CB -0.843 29.592 30.300 0.226 0.000 0.863 125 R HN 0.671 nan 8.270 nan 0.000 0.444 126 Y N -1.613 118.808 120.300 0.201 0.000 2.333 126 Y HA -0.004 4.546 4.550 -0.000 0.000 0.290 126 Y C 1.736 177.673 175.900 0.062 0.000 1.144 126 Y CA 0.851 59.047 58.100 0.159 0.000 1.228 126 Y CB -0.619 37.935 38.460 0.157 0.000 0.985 126 Y HN -0.019 nan 8.280 nan 0.000 0.542 127 L N 0.129 121.158 121.223 -0.323 0.000 2.095 127 L HA -0.082 4.258 4.340 -0.000 0.000 0.204 127 L C 2.119 178.921 176.870 -0.113 0.000 1.080 127 L CA 1.535 56.283 54.840 -0.154 0.000 0.759 127 L CB -0.508 41.436 42.059 -0.191 0.000 0.914 127 L HN 0.192 nan 8.230 nan 0.000 0.439 128 D N 0.561 120.897 120.400 -0.107 0.000 2.149 128 D HA -0.184 4.455 4.640 -0.000 0.000 0.198 128 D C 2.196 178.453 176.300 -0.071 0.000 0.990 128 D CA 1.115 55.073 54.000 -0.070 0.000 0.839 128 D CB 0.003 40.773 40.800 -0.049 0.000 0.948 128 D HN 0.188 nan 8.370 nan 0.000 0.460 129 L N -0.222 120.960 121.223 -0.068 0.000 2.456 129 L HA 0.007 4.347 4.340 -0.000 0.000 0.224 129 L C 2.311 179.125 176.870 -0.094 0.000 1.148 129 L CA 0.431 55.222 54.840 -0.082 0.000 0.825 129 L CB -0.217 41.793 42.059 -0.082 0.000 0.937 129 L HN 0.039 nan 8.230 nan 0.000 0.450 130 R N -0.090 120.340 120.500 -0.115 0.000 2.189 130 R HA 0.012 4.351 4.340 -0.000 0.000 0.218 130 R C 0.611 176.842 176.300 -0.115 0.000 1.074 130 R CA 0.222 56.221 56.100 -0.168 0.000 0.991 130 R CB -0.028 30.128 30.300 -0.240 0.000 0.883 130 R HN 0.330 nan 8.270 nan 0.000 0.457 131 R N 1.194 121.643 120.500 -0.085 0.000 2.489 131 R HA 0.021 4.361 4.340 -0.000 0.000 0.287 131 R C -1.836 174.432 176.300 -0.053 0.000 1.053 131 R CA -1.402 54.662 56.100 -0.061 0.000 1.036 131 R CB 0.262 30.531 30.300 -0.051 0.000 0.966 131 R HN -0.068 nan 8.270 nan 0.000 0.432 132 P HA -0.202 nan 4.420 nan 0.000 0.216 132 P C 0.339 177.617 177.300 -0.038 0.000 1.150 132 P CA 1.320 64.400 63.100 -0.033 0.000 0.843 132 P CB 0.319 32.007 31.700 -0.020 0.000 0.787 133 E N -1.178 119.001 120.200 -0.036 0.000 2.038 133 E HA -0.165 4.184 4.350 -0.000 0.000 0.195 133 E C 2.037 178.610 176.600 -0.045 0.000 1.000 133 E CA 1.384 57.763 56.400 -0.036 0.000 0.803 133 E CB -0.939 28.743 29.700 -0.030 0.000 0.750 133 E HN 0.166 nan 8.360 nan 0.000 0.448 134 M N 0.391 119.961 119.600 -0.050 0.000 2.064 134 M HA -0.018 4.462 4.480 -0.000 0.000 0.260 134 M C 2.459 178.716 176.300 -0.072 0.000 1.073 134 M CA 1.748 57.010 55.300 -0.062 0.000 1.124 134 M CB -1.378 31.181 32.600 -0.067 0.000 1.326 134 M HN 0.209 nan 8.290 nan 0.000 0.410 135 A N -0.097 122.681 122.820 -0.070 0.000 1.917 135 A HA -0.264 4.056 4.320 -0.000 0.000 0.219 135 A C 2.160 179.705 177.584 -0.064 0.000 1.182 135 A CA 2.278 54.273 52.037 -0.069 0.000 0.633 135 A CB -0.889 18.075 19.000 -0.060 0.000 0.819 135 A HN 0.549 nan 8.150 nan 0.000 0.448 136 Q N -0.077 119.689 119.800 -0.057 0.000 2.170 136 Q HA -0.135 4.205 4.340 -0.000 0.000 0.203 136 Q C 2.123 178.082 176.000 -0.068 0.000 0.976 136 Q CA 1.868 57.636 55.803 -0.058 0.000 0.858 136 Q CB -0.281 28.427 28.738 -0.050 0.000 0.907 136 Q HN 0.705 nan 8.270 nan 0.000 0.433 137 R N -0.569 119.890 120.500 -0.070 0.000 2.092 137 R HA -0.036 4.304 4.340 -0.000 0.000 0.231 137 R C 2.301 178.552 176.300 -0.082 0.000 1.119 137 R CA 1.274 57.328 56.100 -0.077 0.000 0.970 137 R CB -0.331 29.926 30.300 -0.071 0.000 0.864 137 R HN 0.317 nan 8.270 nan 0.000 0.440 138 L N 0.777 121.951 121.223 -0.083 0.000 2.093 138 L HA -0.147 4.193 4.340 -0.000 0.000 0.208 138 L C 2.304 179.131 176.870 -0.072 0.000 1.085 138 L CA 1.386 56.176 54.840 -0.084 0.000 0.755 138 L CB -0.314 41.686 42.059 -0.098 0.000 0.904 138 L HN 0.145 nan 8.230 nan 0.000 0.435 139 K N -0.459 119.899 120.400 -0.069 0.000 2.026 139 K HA -0.137 4.183 4.320 -0.000 0.000 0.208 139 K C 2.055 178.611 176.600 -0.073 0.000 1.048 139 K CA 1.849 58.098 56.287 -0.064 0.000 0.929 139 K CB -0.278 32.185 32.500 -0.061 0.000 0.713 139 K HN 0.237 nan 8.250 nan 0.000 0.439 140 T N 0.751 115.254 114.554 -0.084 0.000 2.788 140 T HA -0.163 4.187 4.350 -0.000 0.000 0.268 140 T C 1.798 176.433 174.700 -0.109 0.000 1.044 140 T CA 1.255 63.292 62.100 -0.105 0.000 1.139 140 T CB -0.130 68.666 68.868 -0.119 0.000 0.867 140 T HN 0.276 nan 8.240 nan 0.000 0.454 141 R N 0.914 121.357 120.500 -0.095 0.000 2.096 141 R HA 0.008 4.347 4.340 -0.000 0.000 0.235 141 R C 2.525 178.783 176.300 -0.069 0.000 1.127 141 R CA 1.295 57.343 56.100 -0.087 0.000 0.968 141 R CB -0.377 29.880 30.300 -0.073 0.000 0.861 141 R HN 0.365 nan 8.270 nan 0.000 0.440 142 A N 1.078 123.862 122.820 -0.059 0.000 1.969 142 A HA -0.170 4.150 4.320 -0.000 0.000 0.218 142 A C 2.031 179.589 177.584 -0.044 0.000 1.169 142 A CA 1.484 53.496 52.037 -0.042 0.000 0.635 142 A CB -0.380 18.599 19.000 -0.035 0.000 0.810 142 A HN 0.404 nan 8.150 nan 0.000 0.445 143 K N -0.215 120.147 120.400 -0.065 0.000 2.103 143 K HA -0.008 4.312 4.320 -0.000 0.000 0.204 143 K C 1.710 178.261 176.600 -0.082 0.000 1.052 143 K CA 1.193 57.438 56.287 -0.070 0.000 0.945 143 K CB -0.274 32.172 32.500 -0.091 0.000 0.722 143 K HN 0.462 nan 8.250 nan 0.000 0.443 144 I N 1.463 121.970 120.570 -0.105 0.000 2.179 144 I HA -0.277 3.893 4.170 -0.000 0.000 0.242 144 I C 2.415 178.490 176.117 -0.070 0.000 1.088 144 I CA 1.819 63.046 61.300 -0.122 0.000 1.357 144 I CB -0.524 37.386 38.000 -0.150 0.000 1.051 144 I HN 0.400 nan 8.210 nan 0.000 0.409 145 T N -2.505 112.025 114.554 -0.040 0.000 2.788 145 T HA -0.192 4.158 4.350 -0.000 0.000 0.268 145 T C 2.015 176.731 174.700 0.027 0.000 1.044 145 T CA 1.504 63.605 62.100 0.002 0.000 1.139 145 T CB -0.540 68.334 68.868 0.010 0.000 0.867 145 T HN 0.291 nan 8.240 nan 0.000 0.454 146 S N 1.081 116.788 115.700 0.012 0.000 2.356 146 S HA 0.023 4.492 4.470 -0.000 0.000 0.223 146 S C 2.041 176.674 174.600 0.054 0.000 1.032 146 S CA 0.949 59.168 58.200 0.032 0.000 1.005 146 S CB -0.655 62.553 63.200 0.012 0.000 0.867 146 S HN 0.560 nan 8.310 nan 0.000 0.449 147 L N 1.046 122.287 121.223 0.030 0.000 2.046 147 L HA -0.068 4.272 4.340 -0.000 0.000 0.208 147 L C 2.531 179.487 176.870 0.143 0.000 1.077 147 L CA 1.008 55.896 54.840 0.080 0.000 0.747 147 L CB -0.575 41.458 42.059 -0.043 0.000 0.896 147 L HN 0.234 nan 8.230 nan 0.000 0.432 148 V N -0.191 119.756 119.914 0.055 0.000 2.261 148 V HA -0.300 3.820 4.120 -0.000 0.000 0.246 148 V C 2.597 178.725 176.094 0.055 0.000 1.047 148 V CA 1.850 64.166 62.300 0.028 0.000 1.015 148 V CB -0.640 31.178 31.823 -0.007 0.000 0.642 148 V HN 0.401 nan 8.190 nan 0.000 0.446 149 R N -0.206 120.357 120.500 0.105 0.000 2.083 149 R HA -0.147 4.193 4.340 -0.000 0.000 0.237 149 R C 2.549 178.913 176.300 0.105 0.000 1.137 149 R CA 1.701 57.892 56.100 0.152 0.000 0.951 149 R CB -0.402 30.023 30.300 0.208 0.000 0.851 149 R HN 0.455 nan 8.270 nan 0.000 0.434 150 R N -0.478 120.096 120.500 0.124 0.000 2.081 150 R HA -0.154 4.185 4.340 -0.000 0.000 0.235 150 R C 2.103 178.469 176.300 0.110 0.000 1.131 150 R CA 1.631 57.798 56.100 0.112 0.000 0.960 150 R CB -0.403 29.970 30.300 0.122 0.000 0.856 150 R HN 0.187 nan 8.270 nan 0.000 0.436 151 F N 1.039 120.996 119.950 0.013 0.000 2.084 151 F HA -0.177 4.349 4.527 -0.000 0.000 0.296 151 F C 2.124 177.963 175.800 0.065 0.000 1.111 151 F CA 1.423 59.436 58.000 0.022 0.000 1.224 151 F CB -0.089 38.875 39.000 -0.060 0.000 0.991 151 F HN -0.142 nan 8.300 nan 0.000 0.471 152 M N 0.424 120.102 119.600 0.130 0.000 2.108 152 M HA -0.210 4.270 4.480 -0.000 0.000 0.261 152 M C 1.798 178.104 176.300 0.011 0.000 1.066 152 M CA 1.532 56.730 55.300 -0.170 0.000 1.107 152 M CB -1.459 30.473 32.600 -1.113 0.000 1.356 152 M HN 0.159 nan 8.290 nan 0.000 0.406 153 D N 0.354 120.749 120.400 -0.008 0.000 2.097 153 D HA -0.164 4.476 4.640 -0.000 0.000 0.195 153 D C 1.608 177.939 176.300 0.051 0.000 0.989 153 D CA 1.393 55.457 54.000 0.107 0.000 0.827 153 D CB -0.519 40.354 40.800 0.121 0.000 0.966 153 D HN 0.365 nan 8.370 nan 0.000 0.456 154 D N -0.301 120.082 120.400 -0.029 0.000 2.265 154 D HA -0.165 4.475 4.640 -0.000 0.000 0.208 154 D C 1.090 177.222 176.300 -0.280 0.000 0.977 154 D CA 0.973 54.874 54.000 -0.164 0.000 0.871 154 D CB -0.034 40.616 40.800 -0.250 0.000 0.925 154 D HN 0.362 nan 8.370 nan 0.000 0.485 155 H N -1.533 117.454 119.070 -0.138 0.000 2.519 155 H HA 0.302 4.858 4.556 -0.000 0.000 0.289 155 H C 1.234 176.561 175.328 -0.002 0.000 1.040 155 H CA 0.472 56.487 56.048 -0.055 0.000 1.165 155 H CB 0.526 30.299 29.762 0.020 0.000 1.462 155 H HN 0.235 nan 8.280 nan 0.000 0.555 156 G N 1.159 109.996 108.800 0.061 0.000 2.147 156 G HA2 -0.276 3.684 3.960 -0.000 0.000 0.244 156 G HA3 -0.276 3.684 3.960 -0.000 0.000 0.244 156 G C -0.279 174.588 174.900 -0.054 0.000 1.005 156 G CA -0.190 44.900 45.100 -0.017 0.000 0.713 156 G HN 0.202 nan 8.290 nan 0.000 0.515 157 F N -0.400 119.626 119.950 0.125 0.000 2.399 157 F HA 0.668 5.195 4.527 -0.000 0.000 0.334 157 F C 0.922 176.922 175.800 0.332 0.000 1.097 157 F CA -0.869 57.264 58.000 0.222 0.000 1.076 157 F CB 1.300 40.390 39.000 0.150 0.000 1.162 157 F HN -0.048 nan 8.300 nan 0.000 0.495 158 L N 3.018 124.515 121.223 0.458 0.000 2.275 158 L HA 0.261 4.600 4.340 -0.000 0.000 0.288 158 L C -0.307 176.620 176.870 0.094 0.000 1.046 158 L CA -0.663 54.341 54.840 0.274 0.000 0.805 158 L CB 0.933 43.092 42.059 0.166 0.000 1.193 158 L HN 0.482 nan 8.230 nan 0.000 0.426 159 D N 5.457 125.800 120.400 -0.095 0.000 2.374 159 D HA 0.284 4.924 4.640 -0.000 0.000 0.240 159 D C -0.575 175.570 176.300 -0.258 0.000 1.229 159 D CA 0.099 53.783 54.000 -0.527 0.000 0.895 159 D CB 0.381 40.875 40.800 -0.510 0.000 1.046 159 D HN 0.240 nan 8.370 nan 0.000 0.498 160 I N 3.187 123.643 120.570 -0.189 0.000 2.418 160 I HA 0.191 4.361 4.170 -0.000 0.000 0.287 160 I C 0.582 176.692 176.117 -0.011 0.000 1.008 160 I CA -0.863 60.385 61.300 -0.087 0.000 1.104 160 I CB 1.750 39.691 38.000 -0.099 0.000 1.264 160 I HN 0.126 nan 8.210 nan 0.000 0.438 161 E N 4.228 124.384 120.200 -0.073 0.000 2.373 161 E HA 0.275 4.625 4.350 -0.000 0.000 0.267 161 E C -0.238 176.307 176.600 -0.091 0.000 1.032 161 E CA -0.185 56.177 56.400 -0.063 0.000 0.889 161 E CB 1.104 30.755 29.700 -0.082 0.000 0.984 161 E HN 0.619 nan 8.360 nan 0.000 0.425 162 T N -0.337 114.158 114.554 -0.098 0.000 2.932 162 T HA 0.512 4.862 4.350 -0.000 0.000 0.289 162 T C -2.427 172.094 174.700 -0.299 0.000 1.039 162 T CA -2.085 59.858 62.100 -0.260 0.000 1.024 162 T CB 1.459 70.230 68.868 -0.161 0.000 1.090 162 T HN 0.211 nan 8.240 nan 0.000 0.496 163 P HA 0.224 nan 4.420 nan 0.000 0.271 163 P C 0.378 177.584 177.300 -0.155 0.000 1.218 163 P CA -0.543 62.353 63.100 -0.339 0.000 0.780 163 P CB 0.716 32.161 31.700 -0.424 0.000 0.901 164 M N 1.035 120.570 119.600 -0.108 0.000 2.486 164 M HA 0.124 4.604 4.480 -0.000 0.000 0.264 164 M C 0.935 177.179 176.300 -0.093 0.000 1.125 164 M CA 0.802 56.058 55.300 -0.072 0.000 1.144 164 M CB -0.423 32.105 32.600 -0.121 0.000 1.353 164 M HN 0.293 nan 8.290 nan 0.000 0.466 165 L N 2.141 123.275 121.223 -0.148 0.000 2.356 165 L HA 0.164 4.504 4.340 -0.000 0.000 0.282 165 L C 0.729 177.629 176.870 0.049 0.000 1.132 165 L CA -0.413 54.310 54.840 -0.194 0.000 0.923 165 L CB -0.328 41.383 42.059 -0.581 0.000 1.278 165 L HN 0.249 nan 8.230 nan 0.000 0.436 166 T N -0.724 113.948 114.554 0.196 0.000 2.768 166 T HA 0.415 4.765 4.350 -0.000 0.000 0.268 166 T C -0.326 174.518 174.700 0.240 0.000 0.969 166 T CA -0.914 61.354 62.100 0.281 0.000 1.008 166 T CB 1.980 71.063 68.868 0.357 0.000 1.371 166 T HN 0.276 nan 8.240 nan 0.000 0.587 167 K N 0.189 120.673 120.400 0.141 0.000 2.156 167 K HA 0.649 4.969 4.320 -0.000 0.000 0.271 167 K C -0.238 176.408 176.600 0.076 0.000 0.995 167 K CA -0.821 55.509 56.287 0.071 0.000 0.890 167 K CB 1.078 33.573 32.500 -0.008 0.000 1.073 167 K HN 0.832 nan 8.250 nan 0.000 0.454 168 A N 2.674 125.526 122.820 0.053 0.000 2.454 168 A HA 0.283 4.603 4.320 -0.000 0.000 0.260 168 A C -0.352 177.224 177.584 -0.014 0.000 1.106 168 A CA 0.020 52.081 52.037 0.039 0.000 0.780 168 A CB -0.065 18.945 19.000 0.017 0.000 1.044 168 A HN 0.782 nan 8.150 nan 0.000 0.498 169 T N 1.389 115.950 114.554 0.011 0.000 2.933 169 T HA 0.727 5.077 4.350 -0.000 0.000 0.305 169 T C -2.911 171.822 174.700 0.054 0.000 1.092 169 T CA -1.507 60.554 62.100 -0.064 0.000 1.008 169 T CB 1.715 70.559 68.868 -0.041 0.000 1.102 169 T HN 0.502 nan 8.240 nan 0.000 0.469 170 P HA 0.328 nan 4.420 nan 0.000 0.271 170 P C -0.610 176.800 177.300 0.183 0.000 1.233 170 P CA 0.195 63.351 63.100 0.093 0.000 0.789 170 P CB 0.183 31.910 31.700 0.046 0.000 0.951 171 E N -1.644 118.616 120.200 0.099 0.000 8.839 171 E HA -0.062 4.288 4.350 -0.000 0.000 0.490 171 E C 0.509 177.152 176.600 0.071 0.000 1.298 171 E CA 1.127 57.568 56.400 0.069 0.000 2.312 171 E CB -1.953 27.771 29.700 0.039 0.000 1.006 171 E HN 1.015 nan 8.360 nan 0.000 0.262 172 G N -0.172 108.656 108.800 0.047 0.000 2.554 172 G HA2 0.166 4.126 3.960 -0.000 0.000 0.253 172 G HA3 0.166 4.126 3.960 -0.000 0.000 0.253 172 G C 0.104 175.041 174.900 0.062 0.000 1.172 172 G CA 1.218 46.354 45.100 0.060 0.000 0.950 172 G HN 1.692 nan 8.290 nan 0.000 0.557 173 A N -0.158 122.711 122.820 0.081 0.000 2.284 173 A HA 0.853 5.173 4.320 -0.000 0.000 0.317 173 A C 0.660 178.270 177.584 0.044 0.000 1.120 173 A CA 0.650 52.727 52.037 0.067 0.000 0.900 173 A CB 0.980 20.042 19.000 0.103 0.000 1.319 173 A HN 1.182 nan 8.150 nan 0.000 0.494 174 R N 0.584 121.085 120.500 0.002 0.000 2.491 174 R HA 0.174 4.514 4.340 -0.000 0.000 0.283 174 R C -1.210 175.051 176.300 -0.065 0.000 1.072 174 R CA -0.279 55.793 56.100 -0.046 0.000 1.048 174 R CB 0.223 30.465 30.300 -0.097 0.000 0.983 174 R HN 0.689 nan 8.270 nan 0.000 0.450 175 D N 3.247 123.625 120.400 -0.037 0.000 2.255 175 D HA 0.076 4.716 4.640 -0.000 0.000 0.249 175 D C -0.629 175.643 176.300 -0.046 0.000 1.078 175 D CA 0.076 54.083 54.000 0.013 0.000 0.896 175 D CB 0.731 41.569 40.800 0.063 0.000 1.194 175 D HN 0.377 nan 8.370 nan 0.000 0.429 176 Y N 0.923 121.276 120.300 0.088 0.000 2.359 176 Y HA 0.215 4.765 4.550 -0.000 0.000 0.330 176 Y C 0.638 176.567 175.900 0.048 0.000 1.143 176 Y CA -0.018 58.120 58.100 0.063 0.000 1.318 176 Y CB 0.658 39.156 38.460 0.064 0.000 1.234 176 Y HN 0.065 nan 8.280 nan 0.000 0.522 177 L N 3.252 124.606 121.223 0.218 0.000 2.330 177 L HA 0.714 5.053 4.340 -0.000 0.000 0.271 177 L C -1.021 176.006 176.870 0.261 0.000 1.013 177 L CA -1.256 53.700 54.840 0.193 0.000 0.816 177 L CB 1.810 43.900 42.059 0.052 0.000 1.287 177 L HN 0.212 nan 8.230 nan 0.000 0.435 178 V N 2.460 122.579 119.914 0.341 0.000 2.443 178 V HA 0.339 4.459 4.120 -0.000 0.000 0.293 178 V C -2.259 174.061 176.094 0.377 0.000 1.021 178 V CA -1.528 60.957 62.300 0.307 0.000 0.848 178 V CB 1.917 33.875 31.823 0.226 0.000 0.998 178 V HN 0.572 nan 8.190 nan 0.000 0.424 179 P HA 0.147 nan 4.420 nan 0.000 0.275 179 P C -0.325 176.914 177.300 -0.101 0.000 1.227 179 P CA 0.022 63.029 63.100 -0.155 0.000 0.781 179 P CB 1.268 32.875 31.700 -0.156 0.000 0.906 180 S N 2.329 117.870 115.700 -0.265 0.000 2.489 180 S HA 0.152 4.622 4.470 -0.000 0.000 0.277 180 S C 1.371 175.921 174.600 -0.083 0.000 1.230 180 S CA -0.631 57.532 58.200 -0.063 0.000 1.053 180 S CB 0.103 63.213 63.200 -0.150 0.000 0.955 180 S HN 0.477 nan 8.310 nan 0.000 0.488 181 R N 3.824 124.318 120.500 -0.009 0.000 2.090 181 R HA 0.004 4.344 4.340 -0.000 0.000 0.228 181 R C 1.355 177.607 176.300 -0.080 0.000 1.110 181 R CA 1.490 57.565 56.100 -0.042 0.000 0.973 181 R CB -0.391 29.900 30.300 -0.016 0.000 0.869 181 R HN 0.630 nan 8.270 nan 0.000 0.440 182 V N 0.634 120.496 119.914 -0.086 0.000 2.591 182 V HA -0.090 4.030 4.120 -0.000 0.000 0.249 182 V C 0.632 176.434 176.094 -0.487 0.000 1.053 182 V CA 1.202 63.343 62.300 -0.265 0.000 1.068 182 V CB -0.405 31.247 31.823 -0.284 0.000 0.689 182 V HN 0.345 nan 8.190 nan 0.000 0.462 183 H N 1.016 120.029 119.070 -0.095 0.000 2.697 183 H HA 0.294 4.850 4.556 -0.000 0.000 0.270 183 H C 0.121 175.358 175.328 -0.153 0.000 1.188 183 H CA -0.601 55.377 56.048 -0.117 0.000 1.322 183 H CB 0.632 30.307 29.762 -0.144 0.000 1.405 183 H HN 0.285 nan 8.280 nan 0.000 0.502 184 K N 1.228 121.590 120.400 -0.064 0.000 2.530 184 K HA -0.029 4.291 4.320 -0.000 0.000 0.280 184 K C 0.999 177.553 176.600 -0.077 0.000 1.004 184 K CA 1.312 57.550 56.287 -0.082 0.000 1.071 184 K CB 0.146 32.613 32.500 -0.055 0.000 0.876 184 K HN 0.956 nan 8.250 nan 0.000 0.487 185 G N 3.093 111.816 108.800 -0.128 0.000 2.179 185 G HA2 -0.284 3.676 3.960 -0.000 0.000 0.260 185 G HA3 -0.284 3.676 3.960 -0.000 0.000 0.260 185 G C -0.293 174.570 174.900 -0.061 0.000 0.977 185 G CA 0.618 45.686 45.100 -0.053 0.000 0.641 185 G HN 0.613 nan 8.290 nan 0.000 0.533 186 K N -0.706 119.549 120.400 -0.243 0.000 2.208 186 K HA 0.780 5.099 4.320 -0.000 0.000 0.247 186 K C -0.925 175.383 176.600 -0.486 0.000 0.953 186 K CA -0.714 55.468 56.287 -0.175 0.000 0.837 186 K CB 1.309 33.716 32.500 -0.155 0.000 1.131 186 K HN 0.048 nan 8.250 nan 0.000 0.431 187 F N 0.310 120.153 119.950 -0.177 0.000 2.599 187 F HA 0.389 4.916 4.527 -0.001 0.000 0.311 187 F C -0.510 175.147 175.800 -0.239 0.000 1.076 187 F CA -0.953 56.954 58.000 -0.154 0.000 0.937 187 F CB 0.872 39.854 39.000 -0.030 0.000 1.282 187 F HN 0.349 nan 8.300 nan 0.000 0.460 188 Y N 0.646 121.059 120.300 0.187 0.000 2.403 188 Y HA 0.705 5.255 4.550 -0.000 0.000 0.323 188 Y C 0.194 176.167 175.900 0.122 0.000 1.226 188 Y CA -1.107 57.056 58.100 0.106 0.000 1.235 188 Y CB 1.220 39.712 38.460 0.052 0.000 1.248 188 Y HN 0.671 nan 8.280 nan 0.000 0.489 189 A N 2.237 125.215 122.820 0.264 0.000 2.342 189 A HA 0.628 4.948 4.320 -0.000 0.000 0.323 189 A C -1.268 176.409 177.584 0.156 0.000 1.125 189 A CA -0.686 51.464 52.037 0.188 0.000 0.785 189 A CB 0.604 19.692 19.000 0.147 0.000 1.221 189 A HN 0.584 nan 8.150 nan 0.000 0.463 190 L N 3.394 124.681 121.223 0.107 0.000 2.461 190 L HA 0.311 4.651 4.340 -0.000 0.000 0.272 190 L C -1.759 175.211 176.870 0.168 0.000 1.197 190 L CA -1.374 53.455 54.840 -0.017 0.000 0.836 190 L CB -0.002 41.915 42.059 -0.237 0.000 1.105 190 L HN 0.490 nan 8.230 nan 0.000 0.477 191 P HA 0.114 nan 4.420 nan 0.000 0.280 191 P C -0.400 177.101 177.300 0.335 0.000 1.244 191 P CA -0.380 62.894 63.100 0.290 0.000 0.784 191 P CB 0.760 32.636 31.700 0.292 0.000 0.913 192 Q N 1.208 121.168 119.800 0.266 0.000 2.230 192 Q HA 0.013 4.353 4.340 -0.000 0.000 0.202 192 Q C 0.711 176.823 176.000 0.186 0.000 0.963 192 Q CA 1.013 56.963 55.803 0.245 0.000 0.866 192 Q CB 0.105 28.974 28.738 0.219 0.000 0.931 192 Q HN 0.729 nan 8.270 nan 0.000 0.452 193 S N -2.134 113.678 115.700 0.187 0.000 2.627 193 S HA 0.252 4.722 4.470 -0.000 0.000 0.268 193 S C -2.873 171.845 174.600 0.198 0.000 1.130 193 S CA -1.167 57.129 58.200 0.159 0.000 0.819 193 S CB 0.975 64.279 63.200 0.174 0.000 1.100 193 S HN -0.224 nan 8.310 nan 0.000 0.465 194 P HA 0.259 nan 4.420 nan 0.000 0.256 194 P C 1.158 178.563 177.300 0.175 0.000 1.384 194 P CA -0.025 63.233 63.100 0.264 0.000 0.879 194 P CB 0.233 32.091 31.700 0.264 0.000 1.403 195 Q N 0.819 120.684 119.800 0.109 0.000 2.084 195 Q HA -0.240 4.100 4.340 -0.000 0.000 0.215 195 Q C 1.697 177.609 176.000 -0.147 0.000 1.020 195 Q CA 2.073 57.872 55.803 -0.008 0.000 0.887 195 Q CB -1.234 27.472 28.738 -0.054 0.000 0.975 195 Q HN 0.097 nan 8.270 nan 0.000 0.413 196 L N -0.744 120.347 121.223 -0.219 0.000 2.093 196 L HA -0.065 4.275 4.340 -0.000 0.000 0.208 196 L C 2.191 178.929 176.870 -0.220 0.000 1.085 196 L CA 1.487 56.127 54.840 -0.333 0.000 0.755 196 L CB -1.185 40.714 42.059 -0.268 0.000 0.904 196 L HN 0.256 nan 8.230 nan 0.000 0.435 197 F N 0.671 120.595 119.950 -0.044 0.000 2.146 197 F HA -0.179 4.348 4.527 -0.000 0.000 0.298 197 F C 2.407 178.096 175.800 -0.186 0.000 1.096 197 F CA 1.397 59.349 58.000 -0.080 0.000 1.275 197 F CB -0.673 38.282 39.000 -0.075 0.000 1.008 197 F HN 0.197 nan 8.300 nan 0.000 0.480 198 K N 0.232 120.569 120.400 -0.105 0.000 2.148 198 K HA -0.177 4.143 4.320 -0.000 0.000 0.204 198 K C 1.761 178.257 176.600 -0.175 0.000 1.050 198 K CA 1.478 57.519 56.287 -0.409 0.000 0.942 198 K CB -0.636 31.555 32.500 -0.516 0.000 0.724 198 K HN 0.319 nan 8.250 nan 0.000 0.446 199 Q N 1.015 120.769 119.800 -0.076 0.000 2.046 199 Q HA -0.048 4.292 4.340 -0.000 0.000 0.200 199 Q C 2.295 178.214 176.000 -0.134 0.000 0.975 199 Q CA 1.486 57.265 55.803 -0.040 0.000 0.836 199 Q CB -0.210 28.536 28.738 0.014 0.000 0.896 199 Q HN 0.344 nan 8.270 nan 0.000 0.428 200 L N 0.451 121.642 121.223 -0.053 0.000 2.131 200 L HA -0.199 4.141 4.340 -0.000 0.000 0.210 200 L C 2.244 179.134 176.870 0.033 0.000 1.092 200 L CA 0.804 55.650 54.840 0.011 0.000 0.759 200 L CB -0.349 41.771 42.059 0.102 0.000 0.903 200 L HN 0.252 nan 8.230 nan 0.000 0.435 201 L N -1.438 119.800 121.223 0.026 0.000 2.201 201 L HA -0.204 4.136 4.340 -0.000 0.000 0.212 201 L C 2.495 179.468 176.870 0.172 0.000 1.105 201 L CA 0.728 55.653 54.840 0.142 0.000 0.775 201 L CB -0.218 41.828 42.059 -0.022 0.000 0.913 201 L HN 0.309 nan 8.230 nan 0.000 0.440 202 M N -0.844 118.751 119.600 -0.009 0.000 2.156 202 M HA -0.127 4.353 4.480 -0.000 0.000 0.264 202 M C 2.115 178.331 176.300 -0.139 0.000 1.067 202 M CA 1.792 57.041 55.300 -0.086 0.000 1.131 202 M CB -0.229 32.211 32.600 -0.266 0.000 1.368 202 M HN 0.104 nan 8.290 nan 0.000 0.416 203 M N -1.363 118.138 119.600 -0.166 0.000 2.557 203 M HA -0.076 4.404 4.480 -0.000 0.000 0.259 203 M C 1.295 177.577 176.300 -0.030 0.000 1.086 203 M CA 0.711 55.949 55.300 -0.103 0.000 1.096 203 M CB -0.181 32.379 32.600 -0.068 0.000 1.424 203 M HN 0.083 nan 8.290 nan 0.000 0.488 204 S N -0.547 115.154 115.700 0.002 0.000 2.548 204 S HA 0.221 4.691 4.470 -0.000 0.000 0.215 204 S C 1.486 175.951 174.600 -0.226 0.000 0.976 204 S CA 0.675 58.855 58.200 -0.032 0.000 0.908 204 S CB 0.361 63.649 63.200 0.145 0.000 0.781 204 S HN 0.738 nan 8.310 nan 0.000 0.519 205 G N 1.043 109.758 108.800 -0.141 0.000 2.234 205 G HA2 -0.240 3.720 3.960 -0.000 0.000 0.235 205 G HA3 -0.240 3.720 3.960 -0.000 0.000 0.235 205 G C 0.090 174.885 174.900 -0.175 0.000 0.997 205 G CA -0.451 44.547 45.100 -0.170 0.000 0.623 205 G HN 0.409 nan 8.290 nan 0.000 0.514 206 F N 1.158 121.138 119.950 0.049 0.000 2.589 206 F HA 0.433 4.960 4.527 -0.000 0.000 0.352 206 F C 1.487 177.333 175.800 0.076 0.000 1.168 206 F CA 0.969 59.012 58.000 0.072 0.000 1.353 206 F CB 0.484 39.541 39.000 0.095 0.000 1.116 206 F HN 0.114 nan 8.300 nan 0.000 0.608 207 D N -0.259 120.287 120.400 0.243 0.000 2.455 207 D HA 0.149 4.789 4.640 -0.000 0.000 0.228 207 D C -0.174 176.198 176.300 0.120 0.000 1.070 207 D CA 0.346 54.442 54.000 0.160 0.000 0.881 207 D CB 0.479 41.349 40.800 0.117 0.000 1.087 207 D HN 0.413 nan 8.370 nan 0.000 0.498 208 R N 0.033 120.593 120.500 0.100 0.000 2.564 208 R HA 0.371 4.711 4.340 -0.000 0.000 0.284 208 R C -1.642 174.877 176.300 0.365 0.000 1.031 208 R CA -0.905 55.201 56.100 0.009 0.000 0.904 208 R CB 1.908 31.725 30.300 -0.806 0.000 1.199 208 R HN 0.088 nan 8.270 nan 0.000 0.443 209 Y N 3.237 123.822 120.300 0.475 0.000 2.576 209 Y HA 0.659 5.209 4.550 -0.000 0.000 0.346 209 Y C -1.673 174.590 175.900 0.606 0.000 1.018 209 Y CA -1.133 57.230 58.100 0.439 0.000 1.050 209 Y CB 1.728 40.324 38.460 0.227 0.000 1.280 209 Y HN 0.655 nan 8.280 nan 0.000 0.474 210 Y N 1.214 121.008 120.300 -0.843 0.000 2.713 210 Y HA 0.689 5.239 4.550 -0.000 0.000 0.335 210 Y C -2.038 173.333 175.900 -0.882 0.000 1.222 210 Y CA -1.076 56.525 58.100 -0.832 0.000 1.061 210 Y CB 1.406 39.694 38.460 -0.287 0.000 1.314 210 Y HN 0.918 nan 8.280 nan 0.000 0.453 211 Q N 1.777 121.192 119.800 -0.642 0.000 2.574 211 Q HA 0.486 4.826 4.340 -0.000 0.000 0.265 211 Q C -2.210 173.710 176.000 -0.133 0.000 0.975 211 Q CA -0.652 54.844 55.803 -0.512 0.000 0.923 211 Q CB 2.158 30.705 28.738 -0.319 0.000 1.518 211 Q HN 0.880 nan 8.270 nan 0.000 0.401 212 I N 3.594 124.112 120.570 -0.087 0.000 2.307 212 I HA 0.378 4.548 4.170 -0.000 0.000 0.287 212 I C -0.391 175.717 176.117 -0.015 0.000 1.054 212 I CA -0.610 60.695 61.300 0.008 0.000 1.218 212 I CB 1.216 39.239 38.000 0.037 0.000 1.398 212 I HN 0.297 nan 8.210 nan 0.000 0.475 213 V N 6.856 126.767 119.914 -0.005 0.000 2.876 213 V HA 0.405 4.525 4.120 -0.000 0.000 0.312 213 V C -0.266 175.777 176.094 -0.086 0.000 1.085 213 V CA -0.765 61.524 62.300 -0.018 0.000 0.945 213 V CB 2.583 34.421 31.823 0.024 0.000 1.017 213 V HN 0.630 nan 8.190 nan 0.000 0.428 214 K N 3.615 123.953 120.400 -0.103 0.000 2.326 214 K HA 0.507 4.827 4.320 -0.000 0.000 0.275 214 K C -0.927 175.406 176.600 -0.446 0.000 1.018 214 K CA -0.097 56.001 56.287 -0.315 0.000 0.962 214 K CB 0.633 32.986 32.500 -0.245 0.000 0.953 214 K HN 0.806 nan 8.250 nan 0.000 0.475 215 C N 2.902 121.650 119.300 -0.921 0.000 2.561 215 C HA 0.592 5.052 4.460 -0.000 0.000 0.319 215 C C -1.193 173.196 174.990 -1.002 0.000 1.198 215 C CA -0.926 57.607 59.018 -0.808 0.000 1.665 215 C CB 0.203 27.309 27.740 -1.057 0.000 2.258 215 C HN 0.645 nan 8.230 nan 0.000 0.493 216 F N 1.772 121.706 119.950 -0.026 0.000 2.539 216 F HA 0.609 5.136 4.527 -0.000 0.000 0.328 216 F C 0.390 176.396 175.800 0.344 0.000 1.148 216 F CA -0.607 57.524 58.000 0.219 0.000 0.940 216 F CB 1.002 40.142 39.000 0.233 0.000 1.194 216 F HN 0.310 nan 8.300 nan 0.000 0.438 217 R N 1.378 122.204 120.500 0.543 0.000 2.500 217 R HA 0.190 4.530 4.340 -0.000 0.000 0.299 217 R C -1.365 175.041 176.300 0.177 0.000 1.038 217 R CA -0.808 55.484 56.100 0.320 0.000 0.903 217 R CB 1.897 32.393 30.300 0.327 0.000 1.177 217 R HN 0.435 nan 8.270 nan 0.000 0.455 218 D N 3.304 123.532 120.400 -0.286 0.000 2.545 218 D HA 0.028 4.668 4.640 -0.000 0.000 0.227 218 D C -0.424 175.762 176.300 -0.190 0.000 1.150 218 D CA 0.564 54.170 54.000 -0.656 0.000 1.046 218 D CB 0.421 40.496 40.800 -1.209 0.000 1.098 218 D HN 0.319 nan 8.370 nan 0.000 0.502 219 E N 1.272 121.464 120.200 -0.015 0.000 2.392 219 E HA 0.264 4.614 4.350 -0.000 0.000 0.269 219 E C -0.264 176.367 176.600 0.053 0.000 0.924 219 E CA -0.748 55.663 56.400 0.019 0.000 0.784 219 E CB 1.354 31.079 29.700 0.042 0.000 1.292 219 E HN 0.265 nan 8.360 nan 0.000 0.447 220 D N 0.535 120.958 120.400 0.038 0.000 2.363 220 D HA 0.229 4.869 4.640 -0.000 0.000 0.240 220 D C 0.250 176.580 176.300 0.051 0.000 1.236 220 D CA -0.047 53.980 54.000 0.045 0.000 0.927 220 D CB 0.681 41.498 40.800 0.029 0.000 1.150 220 D HN 0.067 nan 8.370 nan 0.000 0.458 221 L N 0.449 121.703 121.223 0.051 0.000 2.397 221 L HA 0.554 4.894 4.340 -0.000 0.000 0.266 221 L C 0.610 177.503 176.870 0.038 0.000 1.040 221 L CA -0.495 54.374 54.840 0.049 0.000 0.800 221 L CB 0.577 42.672 42.059 0.058 0.000 1.324 221 L HN 0.170 nan 8.230 nan 0.000 0.469 222 R N -0.883 119.640 120.500 0.038 0.000 2.747 222 R HA 0.499 4.839 4.340 -0.000 0.000 0.272 222 R C 0.372 176.701 176.300 0.049 0.000 1.032 222 R CA -0.276 55.849 56.100 0.041 0.000 0.896 222 R CB 0.960 31.285 30.300 0.041 0.000 1.253 222 R HN 0.594 nan 8.270 nan 0.000 0.461 223 A N 0.504 123.359 122.820 0.059 0.000 2.024 223 A HA -0.191 4.129 4.320 -0.000 0.000 0.220 223 A C 0.784 178.418 177.584 0.084 0.000 1.164 223 A CA 2.352 54.431 52.037 0.070 0.000 0.643 223 A CB -0.469 18.580 19.000 0.082 0.000 0.806 223 A HN 0.644 nan 8.150 nan 0.000 0.451 224 D N -1.915 118.540 120.400 0.091 0.000 2.501 224 D HA 0.193 4.833 4.640 -0.000 0.000 0.224 224 D C 0.241 176.551 176.300 0.017 0.000 1.202 224 D CA -0.209 53.848 54.000 0.096 0.000 0.829 224 D CB -0.096 40.832 40.800 0.214 0.000 1.023 224 D HN 0.324 nan 8.370 nan 0.000 0.499 225 R N 0.187 120.689 120.500 0.005 0.000 2.574 225 R HA 0.455 4.795 4.340 -0.000 0.000 0.288 225 R C -0.741 175.564 176.300 0.008 0.000 1.004 225 R CA -0.640 55.435 56.100 -0.042 0.000 0.895 225 R CB 2.080 32.361 30.300 -0.031 0.000 1.191 225 R HN -0.045 nan 8.270 nan 0.000 0.444 226 Q N 2.672 122.483 119.800 0.019 0.000 2.394 226 Q HA 0.289 4.629 4.340 -0.000 0.000 0.273 226 Q C -1.870 174.249 176.000 0.198 0.000 1.089 226 Q CA -1.988 53.880 55.803 0.108 0.000 0.812 226 Q CB 2.471 31.282 28.738 0.122 0.000 1.353 226 Q HN 0.355 nan 8.270 nan 0.000 0.438 227 P HA -0.130 nan 4.420 nan 0.000 0.223 227 P C -0.132 177.403 177.300 0.392 0.000 1.151 227 P CA 1.103 64.420 63.100 0.362 0.000 0.787 227 P CB 0.711 32.662 31.700 0.420 0.000 0.788 228 E N 0.119 120.452 120.200 0.221 0.000 2.218 228 E HA 0.464 4.813 4.350 -0.000 0.000 0.263 228 E C -1.076 175.536 176.600 0.019 0.000 0.879 228 E CA -0.986 55.359 56.400 -0.092 0.000 0.762 228 E CB 1.130 30.756 29.700 -0.123 0.000 1.166 228 E HN -0.002 nan 8.360 nan 0.000 0.415 229 F N 0.052 119.848 119.950 -0.256 0.000 2.754 229 F HA 0.660 5.187 4.527 -0.000 0.000 0.320 229 F C -1.278 174.438 175.800 -0.140 0.000 1.156 229 F CA -1.011 56.911 58.000 -0.131 0.000 0.950 229 F CB 1.394 40.368 39.000 -0.044 0.000 1.388 229 F HN 0.110 nan 8.300 nan 0.000 0.485 230 T N 1.343 115.935 114.554 0.063 0.000 2.807 230 T HA 0.474 4.824 4.350 -0.000 0.000 0.279 230 T C -0.877 173.893 174.700 0.116 0.000 0.993 230 T CA -0.640 61.440 62.100 -0.033 0.000 0.970 230 T CB 1.540 70.413 68.868 0.008 0.000 0.950 230 T HN 0.579 nan 8.240 nan 0.000 0.441 231 Q N 1.659 121.482 119.800 0.038 0.000 2.257 231 Q HA 0.552 4.892 4.340 -0.000 0.000 0.262 231 Q C -0.562 175.529 176.000 0.152 0.000 0.997 231 Q CA -0.861 55.039 55.803 0.162 0.000 0.873 231 Q CB 2.253 31.081 28.738 0.151 0.000 1.312 231 Q HN 0.602 nan 8.270 nan 0.000 0.450 232 I N 1.975 122.683 120.570 0.229 0.000 2.313 232 I HA 0.111 4.281 4.170 -0.000 0.000 0.286 232 I C -0.488 175.771 176.117 0.237 0.000 1.091 232 I CA -0.406 61.035 61.300 0.234 0.000 1.216 232 I CB 0.491 38.666 38.000 0.291 0.000 1.434 232 I HN 0.439 nan 8.210 nan 0.000 0.487 233 D N 5.399 125.903 120.400 0.174 0.000 2.308 233 D HA 0.443 5.083 4.640 -0.000 0.000 0.251 233 D C -0.788 175.623 176.300 0.185 0.000 1.127 233 D CA 0.162 54.287 54.000 0.208 0.000 0.876 233 D CB 1.341 42.300 40.800 0.264 0.000 1.176 233 D HN 0.078 nan 8.370 nan 0.000 0.446 234 V N 2.870 122.948 119.914 0.273 0.000 2.760 234 V HA 0.532 4.652 4.120 -0.000 0.000 0.309 234 V C -0.489 175.881 176.094 0.460 0.000 1.077 234 V CA -0.842 61.633 62.300 0.291 0.000 0.910 234 V CB 1.975 33.864 31.823 0.110 0.000 1.008 234 V HN 0.510 nan 8.190 nan 0.000 0.424 235 E N 1.878 122.468 120.200 0.650 0.000 2.314 235 E HA 0.805 5.154 4.350 -0.000 0.000 0.272 235 E C -0.664 176.247 176.600 0.518 0.000 0.884 235 E CA -0.298 56.420 56.400 0.529 0.000 0.753 235 E CB 2.421 32.383 29.700 0.437 0.000 1.213 235 E HN 0.956 nan 8.360 nan 0.000 0.432 236 T N -0.671 114.106 114.554 0.372 0.000 2.887 236 T HA 0.861 5.211 4.350 -0.000 0.000 0.292 236 T C -0.549 174.257 174.700 0.177 0.000 1.087 236 T CA -0.768 61.496 62.100 0.272 0.000 1.009 236 T CB 1.518 70.541 68.868 0.259 0.000 1.203 236 T HN 0.192 nan 8.240 nan 0.000 0.518 237 S N -0.316 115.445 115.700 0.102 0.000 2.599 237 S HA 0.660 5.129 4.470 -0.000 0.000 0.294 237 S C -0.984 173.622 174.600 0.009 0.000 1.094 237 S CA -0.787 57.366 58.200 -0.078 0.000 0.931 237 S CB 0.599 63.676 63.200 -0.204 0.000 1.093 237 S HN 0.842 nan 8.310 nan 0.000 0.488 238 F N -0.540 119.428 119.950 0.030 0.000 3.090 238 F HA -0.208 4.319 4.527 -0.000 0.000 0.282 238 F C 0.110 175.914 175.800 0.008 0.000 0.923 238 F CA 0.618 58.617 58.000 -0.001 0.000 0.977 238 F CB -1.731 37.263 39.000 -0.010 0.000 0.954 238 F HN 0.394 nan 8.300 nan 0.000 0.695 239 M N -0.830 118.842 119.600 0.120 0.000 2.501 239 M HA 0.449 4.929 4.480 -0.000 0.000 0.293 239 M C 0.409 176.737 176.300 0.047 0.000 1.192 239 M CA -0.565 54.788 55.300 0.088 0.000 0.886 239 M CB 2.703 35.361 32.600 0.096 0.000 1.710 239 M HN 0.106 nan 8.290 nan 0.000 0.457 240 T N -1.125 113.440 114.554 0.018 0.000 2.862 240 T HA 0.610 4.960 4.350 -0.000 0.000 0.276 240 T C 1.103 175.764 174.700 -0.064 0.000 0.974 240 T CA -0.175 61.919 62.100 -0.011 0.000 0.966 240 T CB 1.262 70.117 68.868 -0.023 0.000 1.072 240 T HN 0.714 nan 8.240 nan 0.000 0.538 241 A N 0.916 123.680 122.820 -0.094 0.000 1.865 241 A HA 0.067 4.387 4.320 -0.000 0.000 0.217 241 A C -0.149 177.165 177.584 -0.450 0.000 1.191 241 A CA 1.433 53.309 52.037 -0.267 0.000 0.623 241 A CB -2.102 16.794 19.000 -0.174 0.000 0.826 241 A HN 0.740 nan 8.150 nan 0.000 0.444 242 P HA -0.168 nan 4.420 nan 0.000 0.216 242 P C 1.441 178.585 177.300 -0.259 0.000 1.150 242 P CA 1.492 64.399 63.100 -0.323 0.000 0.837 242 P CB -0.119 31.466 31.700 -0.192 0.000 0.786 243 Q N -0.838 118.867 119.800 -0.159 0.000 2.079 243 Q HA -0.094 4.246 4.340 -0.000 0.000 0.200 243 Q C 2.119 178.073 176.000 -0.076 0.000 0.974 243 Q CA 1.212 56.967 55.803 -0.080 0.000 0.840 243 Q CB -0.844 27.882 28.738 -0.019 0.000 0.898 243 Q HN 0.114 nan 8.270 nan 0.000 0.430 244 V N 1.206 121.048 119.914 -0.120 0.000 2.295 244 V HA -0.279 3.841 4.120 -0.000 0.000 0.246 244 V C 2.236 178.223 176.094 -0.178 0.000 1.049 244 V CA 1.835 64.088 62.300 -0.078 0.000 1.024 244 V CB -0.520 31.251 31.823 -0.088 0.000 0.648 244 V HN 0.312 nan 8.190 nan 0.000 0.447 245 R N -0.441 119.767 120.500 -0.487 0.000 2.096 245 R HA -0.200 4.140 4.340 -0.000 0.000 0.235 245 R C 2.365 178.542 176.300 -0.205 0.000 1.127 245 R CA 1.621 57.310 56.100 -0.686 0.000 0.968 245 R CB -0.307 29.140 30.300 -1.421 0.000 0.861 245 R HN 0.639 nan 8.270 nan 0.000 0.440 246 E N 0.473 120.572 120.200 -0.169 0.000 2.031 246 E HA -0.183 4.167 4.350 -0.000 0.000 0.193 246 E C 1.953 178.568 176.600 0.024 0.000 0.994 246 E CA 1.470 57.838 56.400 -0.054 0.000 0.800 246 E CB 0.019 29.694 29.700 -0.043 0.000 0.752 246 E HN 0.148 nan 8.360 nan 0.000 0.447 247 V N 0.613 120.566 119.914 0.065 0.000 2.548 247 V HA -0.192 3.928 4.120 -0.000 0.000 0.249 247 V C 2.121 178.262 176.094 0.078 0.000 1.055 247 V CA 1.249 63.618 62.300 0.116 0.000 1.065 247 V CB -0.155 31.790 31.823 0.203 0.000 0.681 247 V HN 0.327 nan 8.190 nan 0.000 0.462 248 M N -0.200 119.477 119.600 0.128 0.000 2.175 248 M HA -0.119 4.361 4.480 -0.000 0.000 0.264 248 M C 2.123 178.552 176.300 0.214 0.000 1.063 248 M CA 2.117 57.564 55.300 0.246 0.000 1.119 248 M CB -1.258 31.576 32.600 0.391 0.000 1.377 248 M HN 0.586 nan 8.290 nan 0.000 0.415 249 E N 0.236 120.543 120.200 0.179 0.000 2.106 249 E HA -0.120 4.230 4.350 -0.000 0.000 0.192 249 E C 1.980 178.403 176.600 -0.295 0.000 0.984 249 E CA 1.201 57.486 56.400 -0.191 0.000 0.806 249 E CB 0.109 29.662 29.700 -0.245 0.000 0.750 249 E HN 0.411 nan 8.360 nan 0.000 0.458 250 A N 1.105 123.837 122.820 -0.146 0.000 1.902 250 A HA -0.174 4.146 4.320 -0.000 0.000 0.217 250 A C 2.131 179.520 177.584 -0.325 0.000 1.181 250 A CA 1.337 53.312 52.037 -0.102 0.000 0.623 250 A CB -0.679 18.387 19.000 0.110 0.000 0.818 250 A HN 0.399 nan 8.150 nan 0.000 0.443 251 L N 0.011 120.853 121.223 -0.634 0.000 1.994 251 L HA -0.121 4.219 4.340 -0.000 0.000 0.208 251 L C 2.375 178.951 176.870 -0.489 0.000 1.071 251 L CA 2.127 56.327 54.840 -1.067 0.000 0.745 251 L CB -0.641 40.884 42.059 -0.889 0.000 0.892 251 L HN 0.149 nan 8.230 nan 0.000 0.431 252 V N -0.109 119.604 119.914 -0.335 0.000 2.427 252 V HA -0.246 3.874 4.120 -0.000 0.000 0.248 252 V C 2.724 178.813 176.094 -0.008 0.000 1.051 252 V CA 1.935 64.129 62.300 -0.178 0.000 1.048 252 V CB -0.724 30.999 31.823 -0.167 0.000 0.666 252 V HN 0.452 nan 8.190 nan 0.000 0.456 253 R N -0.777 119.682 120.500 -0.068 0.000 2.092 253 R HA -0.176 4.164 4.340 -0.000 0.000 0.231 253 R C 2.352 178.709 176.300 0.094 0.000 1.119 253 R CA 1.659 57.779 56.100 0.033 0.000 0.970 253 R CB -0.459 29.838 30.300 -0.004 0.000 0.864 253 R HN 0.633 nan 8.270 nan 0.000 0.440 254 H N 1.049 120.074 119.070 -0.075 0.000 2.321 254 H HA -0.036 4.520 4.556 -0.000 0.000 0.300 254 H C 1.854 177.153 175.328 -0.048 0.000 1.087 254 H CA 1.595 57.617 56.048 -0.044 0.000 1.319 254 H CB -0.189 29.519 29.762 -0.090 0.000 1.379 254 H HN 0.043 nan 8.280 nan 0.000 0.501 255 L N -1.172 119.972 121.223 -0.131 0.000 2.046 255 L HA -0.216 4.124 4.340 -0.000 0.000 0.208 255 L C 2.499 179.233 176.870 -0.227 0.000 1.077 255 L CA 1.181 55.883 54.840 -0.230 0.000 0.747 255 L CB -0.602 41.355 42.059 -0.170 0.000 0.896 255 L HN 0.461 nan 8.230 nan 0.000 0.432 256 W N -0.095 121.028 121.300 -0.294 0.000 2.388 256 W HA -0.196 4.464 4.660 -0.000 0.000 0.294 256 W C 2.387 178.759 176.519 -0.244 0.000 1.212 256 W CA 0.670 57.820 57.345 -0.326 0.000 1.271 256 W CB -0.066 29.162 29.460 -0.386 0.000 1.126 256 W HN 0.190 nan 8.180 nan 0.000 0.535 257 L N 1.225 122.452 121.223 0.007 0.000 1.961 257 L HA -0.213 4.126 4.340 -0.000 0.000 0.210 257 L C 2.347 179.153 176.870 -0.107 0.000 1.072 257 L CA 2.055 56.882 54.840 -0.022 0.000 0.749 257 L CB -1.213 40.865 42.059 0.032 0.000 0.889 257 L HN -0.209 nan 8.230 nan 0.000 0.432 258 E N -0.699 119.380 120.200 -0.202 0.000 2.153 258 E HA -0.140 4.210 4.350 -0.000 0.000 0.194 258 E C 2.219 178.691 176.600 -0.214 0.000 0.988 258 E CA 1.451 57.716 56.400 -0.224 0.000 0.811 258 E CB -0.372 29.107 29.700 -0.369 0.000 0.746 258 E HN 0.435 nan 8.360 nan 0.000 0.466 259 V N 0.755 120.501 119.914 -0.279 0.000 2.685 259 V HA -0.032 4.088 4.120 -0.000 0.000 0.244 259 V C 1.695 177.627 176.094 -0.271 0.000 1.054 259 V CA 1.069 63.192 62.300 -0.296 0.000 1.076 259 V CB -0.018 31.555 31.823 -0.416 0.000 0.725 259 V HN 0.062 nan 8.190 nan 0.000 0.467 260 K N -0.292 119.931 120.400 -0.295 0.000 2.402 260 K HA 0.336 4.655 4.320 -0.000 0.000 0.204 260 K C 1.372 177.923 176.600 -0.082 0.000 1.056 260 K CA 0.689 56.855 56.287 -0.201 0.000 1.069 260 K CB 0.851 33.172 32.500 -0.297 0.000 0.888 260 K HN 0.441 nan 8.250 nan 0.000 0.546 261 G N 2.043 110.798 108.800 -0.076 0.000 2.179 261 G HA2 -0.242 3.718 3.960 -0.000 0.000 0.257 261 G HA3 -0.242 3.718 3.960 -0.000 0.000 0.257 261 G C -0.022 174.892 174.900 0.023 0.000 1.010 261 G CA 0.662 45.751 45.100 -0.018 0.000 0.736 261 G HN 0.240 nan 8.290 nan 0.000 0.513 262 V N -0.310 119.620 119.914 0.027 0.000 2.513 262 V HA 0.707 4.827 4.120 -0.000 0.000 0.299 262 V C -0.684 175.460 176.094 0.084 0.000 1.035 262 V CA -0.704 61.647 62.300 0.084 0.000 0.889 262 V CB 1.968 33.865 31.823 0.124 0.000 0.988 262 V HN 0.251 nan 8.190 nan 0.000 0.440 263 D N 4.927 125.377 120.400 0.083 0.000 2.359 263 D HA 0.297 4.937 4.640 -0.000 0.000 0.230 263 D C 0.891 177.231 176.300 0.066 0.000 1.118 263 D CA -0.131 53.914 54.000 0.076 0.000 0.844 263 D CB 1.470 42.313 40.800 0.072 0.000 1.059 263 D HN 0.569 nan 8.370 nan 0.000 0.493 264 L N 3.159 124.406 121.223 0.040 0.000 2.291 264 L HA 0.177 4.517 4.340 -0.000 0.000 0.214 264 L C 1.537 178.454 176.870 0.078 0.000 1.120 264 L CA 0.626 55.463 54.840 -0.005 0.000 0.799 264 L CB -0.822 41.183 42.059 -0.090 0.000 0.925 264 L HN 0.712 nan 8.230 nan 0.000 0.446 265 G N 0.171 109.043 108.800 0.119 0.000 2.828 265 G HA2 -0.207 3.752 3.960 -0.000 0.000 0.463 265 G HA3 -0.207 3.752 3.960 -0.000 0.000 0.463 265 G C -0.848 174.179 174.900 0.212 0.000 1.394 265 G CA -0.723 44.453 45.100 0.127 0.000 0.862 265 G HN 0.146 nan 8.290 nan 0.000 0.540 266 D N 0.150 120.654 120.400 0.173 0.000 2.424 266 D HA 0.385 5.025 4.640 -0.000 0.000 0.244 266 D C 0.685 177.204 176.300 0.365 0.000 1.134 266 D CA 0.326 54.453 54.000 0.212 0.000 0.881 266 D CB 0.196 41.077 40.800 0.135 0.000 1.191 266 D HN 0.210 nan 8.370 nan 0.000 0.445 267 F N 2.412 122.403 119.950 0.067 0.000 2.495 267 F HA 0.218 4.745 4.527 -0.000 0.000 0.365 267 F C -1.413 174.458 175.800 0.117 0.000 1.090 267 F CA -2.525 55.508 58.000 0.055 0.000 1.235 267 F CB -0.408 38.612 39.000 0.033 0.000 1.119 267 F HN 0.035 nan 8.300 nan 0.000 0.562 268 P HA 0.236 nan 4.420 nan 0.000 0.272 268 P C -0.917 176.516 177.300 0.222 0.000 1.230 268 P CA -0.182 63.008 63.100 0.150 0.000 0.788 268 P CB 0.820 32.554 31.700 0.056 0.000 0.949 269 V N 2.782 122.810 119.914 0.189 0.000 2.656 269 V HA 0.620 4.740 4.120 -0.000 0.000 0.307 269 V C -0.221 175.958 176.094 0.141 0.000 1.051 269 V CA -0.460 61.971 62.300 0.217 0.000 0.893 269 V CB 1.679 33.610 31.823 0.180 0.000 0.999 269 V HN 0.559 nan 8.190 nan 0.000 0.426 270 M N 3.678 123.364 119.600 0.143 0.000 2.433 270 M HA 0.539 5.018 4.480 -0.000 0.000 0.290 270 M C -0.131 176.216 176.300 0.078 0.000 1.173 270 M CA -0.307 55.048 55.300 0.091 0.000 0.905 270 M CB 2.568 35.212 32.600 0.073 0.000 1.692 270 M HN 0.873 nan 8.290 nan 0.000 0.462 271 T N 0.394 114.977 114.554 0.049 0.000 2.868 271 T HA 0.218 4.568 4.350 -0.000 0.000 0.292 271 T C 0.696 175.389 174.700 -0.011 0.000 1.028 271 T CA -0.441 61.682 62.100 0.039 0.000 1.059 271 T CB 0.642 69.535 68.868 0.042 0.000 0.991 271 T HN 0.636 nan 8.240 nan 0.000 0.531 272 F N 1.922 121.719 119.950 -0.254 0.000 2.126 272 F HA 0.007 4.534 4.527 -0.000 0.000 0.299 272 F C 2.488 178.170 175.800 -0.197 0.000 1.096 272 F CA 1.798 59.556 58.000 -0.404 0.000 1.255 272 F CB -0.962 37.683 39.000 -0.591 0.000 0.997 272 F HN 0.754 nan 8.300 nan 0.000 0.479 273 A N -0.082 122.732 122.820 -0.011 0.000 1.908 273 A HA -0.265 4.055 4.320 -0.000 0.000 0.218 273 A C 2.263 179.766 177.584 -0.135 0.000 1.181 273 A CA 1.924 53.916 52.037 -0.075 0.000 0.627 273 A CB -1.052 17.969 19.000 0.035 0.000 0.818 273 A HN 0.621 nan 8.150 nan 0.000 0.445 274 E N -0.307 119.844 120.200 -0.082 0.000 2.072 274 E HA -0.044 4.306 4.350 -0.000 0.000 0.190 274 E C 2.128 178.692 176.600 -0.061 0.000 0.982 274 E CA 0.868 57.232 56.400 -0.060 0.000 0.803 274 E CB -0.249 29.445 29.700 -0.010 0.000 0.755 274 E HN 0.516 nan 8.360 nan 0.000 0.453 275 A N 1.253 124.028 122.820 -0.074 0.000 1.902 275 A HA -0.253 4.067 4.320 -0.000 0.000 0.217 275 A C 2.060 179.593 177.584 -0.086 0.000 1.181 275 A CA 1.798 53.835 52.037 0.001 0.000 0.623 275 A CB -0.611 18.327 19.000 -0.103 0.000 0.818 275 A HN 0.464 nan 8.150 nan 0.000 0.443 276 E N -0.360 119.650 120.200 -0.316 0.000 2.047 276 E HA -0.224 4.125 4.350 -0.000 0.000 0.191 276 E C 2.258 178.743 176.600 -0.193 0.000 0.987 276 E CA 1.194 57.401 56.400 -0.321 0.000 0.799 276 E CB -0.175 29.210 29.700 -0.525 0.000 0.752 276 E HN 0.582 nan 8.360 nan 0.000 0.449 277 R N 0.238 120.630 120.500 -0.179 0.000 2.082 277 R HA -0.137 4.203 4.340 -0.000 0.000 0.234 277 R C 2.447 178.628 176.300 -0.198 0.000 1.136 277 R CA 1.884 57.893 56.100 -0.152 0.000 0.935 277 R CB -0.079 30.146 30.300 -0.126 0.000 0.842 277 R HN 0.111 nan 8.270 nan 0.000 0.430 278 R N -1.338 119.003 120.500 -0.265 0.000 2.119 278 R HA -0.088 4.252 4.340 -0.000 0.000 0.222 278 R C 0.990 176.843 176.300 -0.745 0.000 1.088 278 R CA 1.275 57.040 56.100 -0.558 0.000 0.984 278 R CB 0.168 29.991 30.300 -0.794 0.000 0.884 278 R HN 0.416 nan 8.270 nan 0.000 0.447 279 Y N -1.492 118.738 120.300 -0.116 0.000 2.563 279 Y HA 0.306 4.856 4.550 -0.000 0.000 0.250 279 Y C 1.051 176.879 175.900 -0.121 0.000 1.126 279 Y CA -0.011 58.023 58.100 -0.110 0.000 1.231 279 Y CB 0.866 39.264 38.460 -0.103 0.000 1.288 279 Y HN 0.133 nan 8.280 nan 0.000 0.537 280 G N 1.542 110.325 108.800 -0.028 0.000 2.323 280 G HA2 -0.177 3.783 3.960 -0.000 0.000 0.292 280 G HA3 -0.177 3.783 3.960 -0.000 0.000 0.292 280 G C -0.024 174.841 174.900 -0.057 0.000 1.040 280 G CA 0.874 45.932 45.100 -0.069 0.000 0.942 280 G HN 0.448 nan 8.290 nan 0.000 0.506 281 S N -1.007 114.658 115.700 -0.060 0.000 2.543 281 S HA 0.529 4.999 4.470 -0.000 0.000 0.274 281 S C 0.010 174.553 174.600 -0.094 0.000 1.149 281 S CA 0.311 58.479 58.200 -0.054 0.000 0.866 281 S CB 1.303 64.486 63.200 -0.028 0.000 1.111 281 S HN 0.538 nan 8.310 nan 0.000 0.457 282 D N 1.842 122.225 120.400 -0.027 0.000 2.368 282 D HA 0.164 4.803 4.640 -0.000 0.000 0.218 282 D C 0.225 176.589 176.300 0.107 0.000 1.112 282 D CA -0.156 53.856 54.000 0.020 0.000 0.834 282 D CB -0.186 40.781 40.800 0.278 0.000 0.953 282 D HN 0.622 nan 8.370 nan 0.000 0.505 283 K N -0.031 120.390 120.400 0.035 0.000 3.350 283 K HA 0.301 4.621 4.320 -0.000 0.000 0.167 283 K C -2.958 173.595 176.600 -0.078 0.000 1.058 283 K CA -1.302 54.997 56.287 0.020 0.000 0.783 283 K CB 0.990 33.523 32.500 0.054 0.000 0.872 283 K HN -0.157 nan 8.250 nan 0.000 0.561 284 P HA -0.073 nan 4.420 nan 0.000 0.265 284 P C -0.819 176.287 177.300 -0.324 0.000 1.193 284 P CA 0.270 63.176 63.100 -0.324 0.000 0.765 284 P CB 0.732 32.061 31.700 -0.618 0.000 0.823 285 D N 3.226 123.445 120.400 -0.303 0.000 2.456 285 D HA 0.123 4.763 4.640 -0.000 0.000 0.219 285 D C 1.048 177.181 176.300 -0.278 0.000 1.126 285 D CA -0.355 53.508 54.000 -0.229 0.000 0.890 285 D CB 0.043 40.745 40.800 -0.163 0.000 1.025 285 D HN 0.242 nan 8.370 nan 0.000 0.511 286 L N 3.206 124.258 121.223 -0.285 0.000 2.650 286 L HA 0.098 4.438 4.340 -0.000 0.000 0.235 286 L C 2.022 178.816 176.870 -0.126 0.000 1.149 286 L CA 0.189 54.882 54.840 -0.244 0.000 0.887 286 L CB -0.040 41.887 42.059 -0.220 0.000 1.021 286 L HN 0.171 nan 8.230 nan 0.000 0.441 287 R N -0.262 120.167 120.500 -0.118 0.000 2.240 287 R HA 0.019 4.359 4.340 -0.000 0.000 0.203 287 R C 0.836 177.096 176.300 -0.067 0.000 1.011 287 R CA 0.041 56.086 56.100 -0.091 0.000 1.007 287 R CB -0.008 30.227 30.300 -0.108 0.000 0.911 287 R HN 0.192 nan 8.270 nan 0.000 0.468 288 N N 1.856 120.520 118.700 -0.060 0.000 2.420 288 N HA 0.052 4.792 4.740 -0.000 0.000 0.249 288 N C -1.803 173.719 175.510 0.020 0.000 1.033 288 N CA -1.914 51.119 53.050 -0.028 0.000 0.944 288 N CB 1.526 39.996 38.487 -0.028 0.000 1.113 288 N HN -0.079 nan 8.380 nan 0.000 0.502 289 P HA -0.046 nan 4.420 nan 0.000 0.229 289 P C 0.537 177.857 177.300 0.034 0.000 1.160 289 P CA 0.631 63.749 63.100 0.030 0.000 0.777 289 P CB 0.428 32.128 31.700 0.001 0.000 0.814 290 M N 0.230 119.843 119.600 0.021 0.000 2.245 290 M HA 0.112 4.591 4.480 -0.000 0.000 0.330 290 M C 0.620 176.906 176.300 -0.023 0.000 1.098 290 M CA 1.021 56.313 55.300 -0.012 0.000 1.172 290 M CB 0.422 33.007 32.600 -0.025 0.000 1.467 290 M HN -0.097 nan 8.290 nan 0.000 0.454 291 E N 1.124 121.256 120.200 -0.113 0.000 2.433 291 E HA 0.599 4.949 4.350 -0.000 0.000 0.273 291 E C -1.513 174.963 176.600 -0.206 0.000 0.950 291 E CA -0.867 55.382 56.400 -0.251 0.000 0.796 291 E CB 2.273 31.778 29.700 -0.325 0.000 1.330 291 E HN 0.504 nan 8.360 nan 0.000 0.455 292 L N 0.853 121.927 121.223 -0.248 0.000 2.343 292 L HA 0.475 4.815 4.340 -0.000 0.000 0.275 292 L C -0.327 176.437 176.870 -0.176 0.000 1.056 292 L CA -0.411 54.321 54.840 -0.181 0.000 0.804 292 L CB 1.624 43.586 42.059 -0.161 0.000 1.203 292 L HN 0.451 nan 8.230 nan 0.000 0.440 293 T N 0.649 115.114 114.554 -0.148 0.000 2.815 293 T HA 0.225 4.575 4.350 -0.000 0.000 0.289 293 T C -0.686 173.952 174.700 -0.102 0.000 1.000 293 T CA -0.675 61.349 62.100 -0.126 0.000 0.958 293 T CB 1.131 69.926 68.868 -0.122 0.000 0.944 293 T HN 0.375 nan 8.240 nan 0.000 0.442 294 D N 2.503 122.852 120.400 -0.086 0.000 2.351 294 D HA 0.226 4.866 4.640 -0.000 0.000 0.251 294 D C 1.017 177.287 176.300 -0.050 0.000 1.137 294 D CA 0.086 54.048 54.000 -0.064 0.000 0.879 294 D CB 1.677 42.442 40.800 -0.059 0.000 1.181 294 D HN 0.461 nan 8.370 nan 0.000 0.448 295 V N -0.215 119.676 119.914 -0.039 0.000 3.276 295 V HA 0.322 4.442 4.120 -0.000 0.000 0.319 295 V C 1.459 177.526 176.094 -0.044 0.000 1.476 295 V CA 0.179 62.462 62.300 -0.027 0.000 1.097 295 V CB 0.369 32.199 31.823 0.012 0.000 0.988 295 V HN 0.459 nan 8.190 nan 0.000 0.473 296 A N 2.381 125.173 122.820 -0.047 0.000 1.908 296 A HA -0.230 4.090 4.320 -0.000 0.000 0.218 296 A C 1.856 179.423 177.584 -0.029 0.000 1.181 296 A CA 2.303 54.312 52.037 -0.047 0.000 0.627 296 A CB -0.720 18.260 19.000 -0.033 0.000 0.818 296 A HN 0.816 nan 8.150 nan 0.000 0.445 297 D N 0.016 120.403 120.400 -0.021 0.000 2.378 297 D HA -0.079 4.561 4.640 -0.000 0.000 0.222 297 D C 1.305 177.602 176.300 -0.006 0.000 0.980 297 D CA 0.730 54.724 54.000 -0.011 0.000 0.907 297 D CB -0.477 40.316 40.800 -0.011 0.000 0.899 297 D HN 0.512 nan 8.370 nan 0.000 0.527 298 L N -0.981 120.236 121.223 -0.010 0.000 2.554 298 L HA 0.228 4.568 4.340 -0.000 0.000 0.225 298 L C 1.636 178.510 176.870 0.007 0.000 1.104 298 L CA 0.128 54.968 54.840 0.000 0.000 0.866 298 L CB 0.174 42.234 42.059 0.002 0.000 1.047 298 L HN -0.011 nan 8.230 nan 0.000 0.468 299 L N -1.151 120.069 121.223 -0.005 0.000 2.808 299 L HA 0.150 4.490 4.340 -0.000 0.000 0.246 299 L C 1.862 178.760 176.870 0.047 0.000 1.153 299 L CA -0.050 54.804 54.840 0.024 0.000 0.956 299 L CB 0.062 42.099 42.059 -0.036 0.000 1.270 299 L HN 0.049 nan 8.230 nan 0.000 0.528 300 K N 0.280 120.696 120.400 0.027 0.000 2.113 300 K HA -0.103 4.217 4.320 -0.000 0.000 0.208 300 K C 1.642 178.265 176.600 0.038 0.000 1.047 300 K CA 1.583 57.886 56.287 0.027 0.000 0.928 300 K CB 0.001 32.510 32.500 0.015 0.000 0.716 300 K HN 0.193 nan 8.250 nan 0.000 0.446 301 S N 0.189 115.916 115.700 0.045 0.000 2.540 301 S HA 0.056 4.526 4.470 -0.000 0.000 0.218 301 S C 0.383 175.026 174.600 0.071 0.000 0.977 301 S CA -0.433 57.796 58.200 0.048 0.000 0.918 301 S CB 0.594 63.817 63.200 0.038 0.000 0.806 301 S HN 0.083 nan 8.310 nan 0.000 0.496 302 V N 2.651 122.626 119.914 0.101 0.000 3.032 302 V HA -0.019 4.101 4.120 -0.000 0.000 0.307 302 V C 1.179 177.355 176.094 0.138 0.000 1.097 302 V CA 0.703 63.090 62.300 0.145 0.000 1.191 302 V CB 0.825 32.786 31.823 0.230 0.000 0.964 302 V HN 0.414 nan 8.190 nan 0.000 0.494 303 E N 3.460 123.754 120.200 0.157 0.000 2.112 303 E HA -0.053 4.297 4.350 -0.000 0.000 0.190 303 E C 0.479 177.159 176.600 0.132 0.000 0.979 303 E CA 0.286 56.765 56.400 0.131 0.000 0.814 303 E CB 0.037 29.819 29.700 0.137 0.000 0.762 303 E HN 0.620 nan 8.360 nan 0.000 0.460 304 F N 2.046 121.950 119.950 -0.077 0.000 2.408 304 F HA -0.077 4.450 4.527 -0.000 0.000 0.361 304 F C 1.198 176.863 175.800 -0.225 0.000 1.108 304 F CA -0.476 57.324 58.000 -0.333 0.000 0.982 304 F CB -0.012 38.691 39.000 -0.495 0.000 0.980 304 F HN -0.097 nan 8.300 nan 0.000 0.557 305 A N 5.028 127.664 122.820 -0.307 0.000 1.978 305 A HA -0.146 4.174 4.320 -0.000 0.000 0.220 305 A C 2.244 179.545 177.584 -0.471 0.000 1.170 305 A CA 1.702 53.562 52.037 -0.296 0.000 0.636 305 A CB -0.919 17.956 19.000 -0.208 0.000 0.810 305 A HN 0.586 nan 8.150 nan 0.000 0.448 306 V N -1.323 117.998 119.914 -0.988 0.000 2.453 306 V HA -0.240 3.880 4.120 -0.000 0.000 0.252 306 V C 2.191 177.997 176.094 -0.481 0.000 1.068 306 V CA 2.051 63.781 62.300 -0.950 0.000 1.070 306 V CB -0.746 30.103 31.823 -1.623 0.000 0.664 306 V HN 0.597 nan 8.190 nan 0.000 0.461 307 F N -0.446 119.154 119.950 -0.583 0.000 2.453 307 F HA 0.326 4.852 4.527 -0.000 0.000 0.284 307 F C 2.306 178.028 175.800 -0.129 0.000 1.065 307 F CA 0.263 58.134 58.000 -0.214 0.000 1.411 307 F CB -1.366 37.612 39.000 -0.037 0.000 1.131 307 F HN 0.082 nan 8.300 nan 0.000 0.582 308 A N 0.514 123.380 122.820 0.077 0.000 1.908 308 A HA -0.082 4.238 4.320 -0.000 0.000 0.218 308 A C 2.531 180.116 177.584 0.001 0.000 1.181 308 A CA 2.024 54.084 52.037 0.038 0.000 0.627 308 A CB -1.493 17.520 19.000 0.021 0.000 0.818 308 A HN 0.380 nan 8.150 nan 0.000 0.445 309 G N -0.006 108.772 108.800 -0.037 0.000 2.453 309 G HA2 -0.137 3.823 3.960 -0.000 0.000 0.215 309 G HA3 -0.137 3.823 3.960 -0.000 0.000 0.215 309 G C -0.266 174.625 174.900 -0.016 0.000 1.201 309 G CA 1.276 46.355 45.100 -0.035 0.000 0.784 309 G HN 0.496 nan 8.290 nan 0.000 0.545 310 P HA 0.006 nan 4.420 nan 0.000 0.218 310 P C 2.095 179.396 177.300 0.001 0.000 1.149 310 P CA 1.783 64.885 63.100 0.003 0.000 0.817 310 P CB -0.079 31.634 31.700 0.021 0.000 0.785 311 A N -0.370 122.453 122.820 0.004 0.000 1.898 311 A HA -0.208 4.112 4.320 -0.000 0.000 0.216 311 A C 1.982 179.565 177.584 -0.002 0.000 1.181 311 A CA 2.076 54.111 52.037 -0.004 0.000 0.620 311 A CB -1.554 17.446 19.000 0.001 0.000 0.819 311 A HN 0.182 nan 8.150 nan 0.000 0.442 312 N N -0.115 118.586 118.700 0.001 0.000 2.376 312 N HA -0.009 4.731 4.740 -0.000 0.000 0.177 312 N C 0.137 175.646 175.510 -0.001 0.000 1.024 312 N CA 0.580 53.630 53.050 0.001 0.000 0.893 312 N CB 0.051 38.538 38.487 0.001 0.000 0.980 312 N HN 0.369 nan 8.380 nan 0.000 0.439 313 D N 1.064 121.463 120.400 -0.003 0.000 2.358 313 D HA 0.032 4.672 4.640 -0.000 0.000 0.258 313 D C -1.511 174.789 176.300 0.000 0.000 1.223 313 D CA -2.081 51.918 54.000 -0.002 0.000 0.886 313 D CB 1.116 41.914 40.800 -0.004 0.000 1.120 313 D HN 0.127 nan 8.370 nan 0.000 0.482 314 P HA -0.124 nan 4.420 nan 0.000 0.222 314 P C 0.492 177.796 177.300 0.007 0.000 1.147 314 P CA 0.924 64.026 63.100 0.004 0.000 0.790 314 P CB 0.374 32.077 31.700 0.005 0.000 0.780 315 K N -0.363 120.042 120.400 0.008 0.000 2.404 315 K HA 0.195 4.515 4.320 -0.000 0.000 0.194 315 K C 1.355 177.961 176.600 0.010 0.000 1.023 315 K CA -0.091 56.203 56.287 0.012 0.000 1.094 315 K CB 0.244 32.752 32.500 0.013 0.000 0.841 315 K HN 0.122 nan 8.250 nan 0.000 0.523 316 G N 0.809 109.612 108.800 0.005 0.000 2.511 316 G HA2 0.501 4.461 3.960 -0.000 0.000 0.316 316 G HA3 0.501 4.461 3.960 -0.000 0.000 0.316 316 G C -1.086 173.815 174.900 0.001 0.000 1.210 316 G CA -0.471 44.632 45.100 0.004 0.000 0.969 316 G HN 0.082 nan 8.290 nan 0.000 0.492 317 R N -1.111 119.390 120.500 0.003 0.000 2.594 317 R HA 0.492 4.831 4.340 -0.000 0.000 0.265 317 R C -2.029 174.272 176.300 0.002 0.000 1.070 317 R CA -0.522 55.575 56.100 -0.004 0.000 0.909 317 R CB 2.329 32.623 30.300 -0.009 0.000 1.243 317 R HN 0.396 nan 8.270 nan 0.000 0.455 318 V N 2.724 122.629 119.914 -0.016 0.000 2.380 318 V HA 0.634 4.753 4.120 -0.000 0.000 0.286 318 V C -0.563 175.525 176.094 -0.011 0.000 1.015 318 V CA -0.704 61.584 62.300 -0.019 0.000 0.834 318 V CB 1.290 33.044 31.823 -0.116 0.000 1.009 318 V HN 0.843 nan 8.190 nan 0.000 0.428 319 A N 3.847 126.673 122.820 0.010 0.000 2.318 319 A HA 0.959 5.279 4.320 -0.000 0.000 0.324 319 A C 0.091 177.635 177.584 -0.067 0.000 1.170 319 A CA -0.277 51.738 52.037 -0.036 0.000 0.810 319 A CB 1.437 20.407 19.000 -0.050 0.000 1.198 319 A HN 1.222 nan 8.150 nan 0.000 0.484 320 A N 1.546 124.263 122.820 -0.171 0.000 2.312 320 A HA 0.694 5.014 4.320 -0.000 0.000 0.328 320 A C -0.796 176.630 177.584 -0.264 0.000 1.158 320 A CA -0.435 51.360 52.037 -0.402 0.000 0.821 320 A CB 0.772 19.455 19.000 -0.528 0.000 1.170 320 A HN 1.644 nan 8.150 nan 0.000 0.490 321 L N 2.096 123.170 121.223 -0.247 0.000 2.342 321 L HA 0.494 4.834 4.340 -0.000 0.000 0.276 321 L C 0.196 176.977 176.870 -0.148 0.000 0.997 321 L CA -0.362 54.399 54.840 -0.132 0.000 0.838 321 L CB 1.244 43.287 42.059 -0.026 0.000 1.224 321 L HN 0.755 nan 8.230 nan 0.000 0.416 322 R N 4.614 125.026 120.500 -0.147 0.000 2.248 322 R HA 0.483 4.823 4.340 -0.000 0.000 0.328 322 R C -1.499 174.739 176.300 -0.104 0.000 1.067 322 R CA -0.373 55.643 56.100 -0.139 0.000 0.924 322 R CB 0.719 30.948 30.300 -0.118 0.000 1.013 322 R HN 0.578 nan 8.270 nan 0.000 0.454 323 V N 8.281 128.124 119.914 -0.119 0.000 2.294 323 V HA 0.269 4.389 4.120 -0.000 0.000 0.272 323 V C -2.097 173.949 176.094 -0.080 0.000 1.027 323 V CA -2.273 59.975 62.300 -0.086 0.000 0.823 323 V CB 1.327 33.099 31.823 -0.085 0.000 1.030 323 V HN 0.821 nan 8.190 nan 0.000 0.457 324 P HA 0.136 nan 4.420 nan 0.000 0.260 324 P C 1.121 178.397 177.300 -0.040 0.000 1.185 324 P CA 1.401 64.472 63.100 -0.047 0.000 0.763 324 P CB 0.547 32.224 31.700 -0.037 0.000 0.776 325 G N 3.364 112.141 108.800 -0.040 0.000 2.189 325 G HA2 -0.316 3.644 3.960 -0.000 0.000 0.267 325 G HA3 -0.316 3.644 3.960 -0.000 0.000 0.267 325 G C 1.306 176.186 174.900 -0.033 0.000 0.975 325 G CA 0.335 45.417 45.100 -0.031 0.000 0.644 325 G HN 0.721 nan 8.290 nan 0.000 0.537 326 G N 0.484 109.253 108.800 -0.053 0.000 2.535 326 G HA2 0.242 4.202 3.960 -0.000 0.000 0.218 326 G HA3 0.242 4.202 3.960 -0.000 0.000 0.218 326 G C 1.819 176.673 174.900 -0.077 0.000 1.122 326 G CA 2.013 47.077 45.100 -0.061 0.000 0.769 326 G HN 1.613 nan 8.290 nan 0.000 0.549 327 A N 1.219 123.999 122.820 -0.066 0.000 2.076 327 A HA -0.033 4.287 4.320 -0.000 0.000 0.220 327 A C 2.596 180.164 177.584 -0.027 0.000 1.160 327 A CA 2.159 54.168 52.037 -0.047 0.000 0.653 327 A CB -0.454 18.530 19.000 -0.026 0.000 0.801 327 A HN 0.741 nan 8.150 nan 0.000 0.455 328 S N -0.922 114.767 115.700 -0.018 0.000 2.603 328 S HA 0.227 4.697 4.470 -0.000 0.000 0.220 328 S C 0.490 175.089 174.600 -0.001 0.000 0.967 328 S CA -0.387 57.809 58.200 -0.007 0.000 0.920 328 S CB -0.416 62.782 63.200 -0.004 0.000 0.773 328 S HN 0.153 nan 8.310 nan 0.000 0.529 329 L N 4.046 125.271 121.223 0.004 0.000 2.514 329 L HA 0.200 4.540 4.340 -0.000 0.000 0.280 329 L C 1.369 178.236 176.870 -0.004 0.000 1.223 329 L CA 0.591 55.449 54.840 0.029 0.000 0.864 329 L CB -0.143 41.977 42.059 0.102 0.000 1.118 329 L HN 0.518 nan 8.230 nan 0.000 0.494 330 T N 0.883 115.433 114.554 -0.007 0.000 2.788 330 T HA 0.228 4.578 4.350 -0.000 0.000 0.280 330 T C 1.349 176.036 174.700 -0.022 0.000 0.984 330 T CA -0.577 61.514 62.100 -0.015 0.000 0.972 330 T CB 1.024 69.881 68.868 -0.018 0.000 1.039 330 T HN 0.442 nan 8.240 nan 0.000 0.530 331 R N 0.229 120.723 120.500 -0.010 0.000 2.115 331 R HA 0.011 4.350 4.340 -0.000 0.000 0.230 331 R C 2.300 178.594 176.300 -0.009 0.000 1.111 331 R CA 1.319 57.419 56.100 0.000 0.000 0.976 331 R CB -0.804 29.511 30.300 0.025 0.000 0.870 331 R HN 0.854 nan 8.270 nan 0.000 0.445 332 K N 0.680 121.066 120.400 -0.023 0.000 1.985 332 K HA -0.167 4.153 4.320 -0.000 0.000 0.210 332 K C 1.966 178.513 176.600 -0.088 0.000 1.047 332 K CA 1.548 57.810 56.287 -0.042 0.000 0.932 332 K CB -0.004 32.470 32.500 -0.044 0.000 0.716 332 K HN 0.170 nan 8.250 nan 0.000 0.439 333 Q N 0.290 120.022 119.800 -0.113 0.000 2.135 333 Q HA -0.171 4.169 4.340 -0.000 0.000 0.204 333 Q C 2.162 178.018 176.000 -0.240 0.000 0.981 333 Q CA 1.825 57.489 55.803 -0.231 0.000 0.856 333 Q CB -0.158 28.493 28.738 -0.145 0.000 0.902 333 Q HN 0.418 nan 8.270 nan 0.000 0.425 334 I N 0.689 121.242 120.570 -0.028 0.000 2.353 334 I HA -0.225 3.945 4.170 -0.000 0.000 0.248 334 I C 1.546 177.704 176.117 0.068 0.000 1.119 334 I CA 0.772 62.133 61.300 0.100 0.000 1.417 334 I CB -0.151 37.837 38.000 -0.019 0.000 1.078 334 I HN 0.129 nan 8.210 nan 0.000 0.421 335 D N 0.934 121.345 120.400 0.018 0.000 2.117 335 D HA -0.158 4.481 4.640 -0.000 0.000 0.198 335 D C 2.060 178.367 176.300 0.012 0.000 0.982 335 D CA 1.158 55.181 54.000 0.039 0.000 0.828 335 D CB -0.162 40.654 40.800 0.027 0.000 0.967 335 D HN 0.425 nan 8.370 nan 0.000 0.464 336 E N -0.101 120.049 120.200 -0.082 0.000 2.058 336 E HA -0.200 4.150 4.350 -0.000 0.000 0.194 336 E C 2.094 178.670 176.600 -0.041 0.000 0.997 336 E CA 0.847 57.176 56.400 -0.117 0.000 0.801 336 E CB -0.243 29.295 29.700 -0.270 0.000 0.746 336 E HN 0.358 nan 8.360 nan 0.000 0.450 337 Y N 0.727 121.022 120.300 -0.009 0.000 2.224 337 Y HA -0.092 4.458 4.550 -0.000 0.000 0.289 337 Y C 2.597 178.511 175.900 0.023 0.000 1.146 337 Y CA 1.091 59.163 58.100 -0.046 0.000 1.182 337 Y CB -1.066 37.226 38.460 -0.280 0.000 0.983 337 Y HN 0.082 nan 8.280 nan 0.000 0.524 338 G N -0.311 108.591 108.800 0.170 0.000 2.418 338 G HA2 -0.297 3.663 3.960 -0.000 0.000 0.217 338 G HA3 -0.297 3.663 3.960 -0.000 0.000 0.217 338 G C 1.516 176.499 174.900 0.139 0.000 1.158 338 G CA 1.195 46.381 45.100 0.143 0.000 0.771 338 G HN 0.466 nan 8.290 nan 0.000 0.545 339 N N -0.573 118.207 118.700 0.133 0.000 2.188 339 N HA -0.062 4.678 4.740 -0.000 0.000 0.184 339 N C 1.874 177.474 175.510 0.151 0.000 1.018 339 N CA 0.757 53.874 53.050 0.111 0.000 0.858 339 N CB -0.210 38.329 38.487 0.086 0.000 0.989 339 N HN 0.311 nan 8.380 nan 0.000 0.426 340 F N 2.101 122.099 119.950 0.080 0.000 2.095 340 F HA -0.175 4.352 4.527 -0.000 0.000 0.298 340 F C 2.147 178.075 175.800 0.214 0.000 1.104 340 F CA 1.088 59.171 58.000 0.139 0.000 1.232 340 F CB -0.466 38.637 39.000 0.171 0.000 0.987 340 F HN -0.132 nan 8.300 nan 0.000 0.475 341 V N -1.822 118.177 119.914 0.142 0.000 2.809 341 V HA -0.164 3.956 4.120 -0.000 0.000 0.256 341 V C 2.140 178.268 176.094 0.056 0.000 1.080 341 V CA 1.646 63.984 62.300 0.063 0.000 1.102 341 V CB -1.049 30.823 31.823 0.081 0.000 0.705 341 V HN 0.293 nan 8.190 nan 0.000 0.475 342 K N 0.345 120.763 120.400 0.030 0.000 2.147 342 K HA 0.012 4.332 4.320 -0.000 0.000 0.205 342 K C 2.070 178.625 176.600 -0.076 0.000 1.049 342 K CA 1.861 58.147 56.287 -0.000 0.000 0.936 342 K CB -0.366 32.139 32.500 0.009 0.000 0.722 342 K HN 0.500 nan 8.250 nan 0.000 0.446 343 I N 0.127 120.591 120.570 -0.176 0.000 2.335 343 I HA -0.279 3.891 4.170 -0.000 0.000 0.251 343 I C 1.153 176.960 176.117 -0.516 0.000 1.129 343 I CA 1.437 62.498 61.300 -0.399 0.000 1.402 343 I CB -0.120 37.485 38.000 -0.660 0.000 1.069 343 I HN 0.162 nan 8.210 nan 0.000 0.424 344 Y N 0.161 120.335 120.300 -0.209 0.000 2.493 344 Y HA 0.318 4.868 4.550 -0.000 0.000 0.275 344 Y C 1.663 177.512 175.900 -0.085 0.000 1.183 344 Y CA 0.350 58.361 58.100 -0.149 0.000 1.258 344 Y CB 0.202 38.556 38.460 -0.177 0.000 1.108 344 Y HN 0.235 nan 8.280 nan 0.000 0.521 345 G N -0.364 108.446 108.800 0.017 0.000 2.195 345 G HA2 -0.202 3.758 3.960 -0.000 0.000 0.224 345 G HA3 -0.202 3.758 3.960 -0.000 0.000 0.224 345 G C 0.476 175.394 174.900 0.030 0.000 0.990 345 G CA -0.300 44.810 45.100 0.017 0.000 0.639 345 G HN 0.598 nan 8.290 nan 0.000 0.514 346 A N 0.300 123.149 122.820 0.048 0.000 2.498 346 A HA 0.586 4.906 4.320 -0.000 0.000 0.239 346 A C 1.377 178.986 177.584 0.042 0.000 1.068 346 A CA 0.920 52.989 52.037 0.052 0.000 0.766 346 A CB 0.394 19.435 19.000 0.069 0.000 1.003 346 A HN 0.197 nan 8.150 nan 0.000 0.497 347 K N 1.293 121.715 120.400 0.037 0.000 2.379 347 K HA 0.207 4.527 4.320 -0.000 0.000 0.194 347 K C 0.818 177.445 176.600 0.044 0.000 1.031 347 K CA 1.008 57.310 56.287 0.025 0.000 1.037 347 K CB 0.161 32.661 32.500 -0.001 0.000 0.824 347 K HN 0.913 nan 8.250 nan 0.000 0.516 348 G N 0.408 109.252 108.800 0.074 0.000 2.488 348 G HA2 0.456 4.415 3.960 -0.000 0.000 0.301 348 G HA3 0.456 4.415 3.960 -0.000 0.000 0.301 348 G C -2.058 172.939 174.900 0.162 0.000 1.339 348 G CA -0.676 44.490 45.100 0.111 0.000 0.803 348 G HN 0.013 nan 8.290 nan 0.000 0.482 349 L N 0.810 122.167 121.223 0.223 0.000 2.492 349 L HA 0.752 5.092 4.340 -0.000 0.000 0.259 349 L C 0.439 177.591 176.870 0.470 0.000 1.229 349 L CA -0.289 54.734 54.840 0.306 0.000 0.903 349 L CB 0.645 42.832 42.059 0.213 0.000 1.114 349 L HN 1.146 nan 8.230 nan 0.000 0.494 350 A N 3.193 126.300 122.820 0.478 0.000 2.407 350 A HA 0.595 4.915 4.320 -0.000 0.000 0.248 350 A C -0.901 177.129 177.584 0.743 0.000 1.082 350 A CA 0.228 52.534 52.037 0.448 0.000 0.785 350 A CB 0.099 19.295 19.000 0.327 0.000 1.020 350 A HN 0.844 nan 8.150 nan 0.000 0.489 351 Y N -1.490 119.114 120.300 0.507 0.000 2.655 351 Y HA 0.795 5.345 4.550 -0.000 0.000 0.336 351 Y C -1.152 174.923 175.900 0.293 0.000 1.154 351 Y CA -1.685 56.669 58.100 0.424 0.000 1.055 351 Y CB 1.283 39.873 38.460 0.218 0.000 1.295 351 Y HN 0.436 nan 8.280 nan 0.000 0.465 352 I N 2.663 123.435 120.570 0.336 0.000 2.500 352 I HA 0.308 4.478 4.170 -0.000 0.000 0.286 352 I C -1.056 175.162 176.117 0.168 0.000 1.063 352 I CA -0.921 60.502 61.300 0.205 0.000 1.062 352 I CB 1.999 40.139 38.000 0.233 0.000 1.223 352 I HN 0.563 nan 8.210 nan 0.000 0.435 353 K N 5.299 125.817 120.400 0.197 0.000 2.297 353 K HA 0.412 4.732 4.320 -0.000 0.000 0.286 353 K C -0.699 175.931 176.600 0.049 0.000 1.053 353 K CA -0.449 55.900 56.287 0.102 0.000 0.940 353 K CB 1.834 34.408 32.500 0.124 0.000 1.019 353 K HN 0.287 nan 8.250 nan 0.000 0.475 354 V N 4.593 124.512 119.914 0.010 0.000 2.318 354 V HA 0.061 4.181 4.120 -0.000 0.000 0.271 354 V C 0.548 176.642 176.094 0.000 0.000 1.030 354 V CA -0.325 61.978 62.300 0.004 0.000 0.844 354 V CB 0.609 32.426 31.823 -0.011 0.000 1.015 354 V HN 0.799 nan 8.190 nan 0.000 0.460 355 N N 3.205 121.909 118.700 0.007 0.000 2.322 355 N HA 0.135 4.875 4.740 -0.000 0.000 0.186 355 N C 0.206 175.716 175.510 -0.001 0.000 1.037 355 N CA 0.271 53.323 53.050 0.004 0.000 0.869 355 N CB 0.497 38.989 38.487 0.009 0.000 1.036 355 N HN 0.631 nan 8.380 nan 0.000 0.439 356 E N 0.206 120.406 120.200 0.000 0.000 2.409 356 E HA 0.247 4.597 4.350 -0.000 0.000 0.259 356 E C -0.248 176.351 176.600 -0.001 0.000 0.932 356 E CA -0.202 56.197 56.400 -0.002 0.000 0.809 356 E CB 1.514 31.212 29.700 -0.002 0.000 1.341 356 E HN 0.180 nan 8.360 nan 0.000 0.405 357 R N 1.345 121.844 120.500 -0.002 0.000 2.105 357 R HA -0.164 4.176 4.340 -0.000 0.000 0.239 357 R C 2.083 178.382 176.300 -0.002 0.000 1.135 357 R CA 1.496 57.596 56.100 -0.001 0.000 0.967 357 R CB -0.161 30.137 30.300 -0.003 0.000 0.861 357 R HN 0.443 nan 8.270 nan 0.000 0.442 358 A N 1.851 124.669 122.820 -0.003 0.000 1.958 358 A HA -0.212 4.108 4.320 -0.000 0.000 0.221 358 A C 1.711 179.293 177.584 -0.003 0.000 1.178 358 A CA 1.532 53.567 52.037 -0.004 0.000 0.642 358 A CB -0.307 18.690 19.000 -0.004 0.000 0.816 358 A HN 0.240 nan 8.150 nan 0.000 0.453 359 K N -0.525 119.873 120.400 -0.003 0.000 2.525 359 K HA 0.227 4.547 4.320 -0.000 0.000 0.192 359 K C 1.316 177.914 176.600 -0.005 0.000 1.029 359 K CA 0.321 56.606 56.287 -0.004 0.000 1.029 359 K CB -0.433 32.064 32.500 -0.004 0.000 0.814 359 K HN 0.629 nan 8.250 nan 0.000 0.503 360 G N 2.009 110.807 108.800 -0.003 0.000 2.582 360 G HA2 -0.371 3.589 3.960 -0.000 0.000 0.288 360 G HA3 -0.371 3.589 3.960 -0.000 0.000 0.288 360 G C 0.780 175.677 174.900 -0.005 0.000 1.247 360 G CA 0.232 45.330 45.100 -0.003 0.000 0.972 360 G HN 0.220 nan 8.290 nan 0.000 0.557 361 L N 0.413 121.630 121.223 -0.010 0.000 2.197 361 L HA -0.128 4.212 4.340 -0.000 0.000 0.215 361 L C 2.710 179.570 176.870 -0.017 0.000 1.095 361 L CA 2.333 57.163 54.840 -0.017 0.000 0.764 361 L CB -0.500 41.542 42.059 -0.028 0.000 0.897 361 L HN 0.688 nan 8.230 nan 0.000 0.436 362 E N -0.447 119.745 120.200 -0.014 0.000 2.435 362 E HA -0.048 4.302 4.350 -0.000 0.000 0.195 362 E C 1.922 178.518 176.600 -0.006 0.000 1.029 362 E CA 0.532 56.925 56.400 -0.012 0.000 0.865 362 E CB 0.027 29.720 29.700 -0.012 0.000 0.833 362 E HN 0.494 nan 8.360 nan 0.000 0.510 363 G N 1.212 110.010 108.800 -0.003 0.000 3.189 363 G HA2 0.220 4.180 3.960 -0.000 0.000 0.225 363 G HA3 0.220 4.180 3.960 -0.000 0.000 0.225 363 G C 0.295 175.199 174.900 0.007 0.000 1.159 363 G CA -0.130 44.971 45.100 0.001 0.000 0.763 363 G HN 0.157 nan 8.290 nan 0.000 0.549 364 I N -2.880 117.694 120.570 0.007 0.000 2.569 364 I HA 0.497 4.667 4.170 -0.000 0.000 0.290 364 I C -1.611 174.516 176.117 0.017 0.000 1.088 364 I CA -1.671 59.640 61.300 0.018 0.000 1.047 364 I CB 1.818 39.831 38.000 0.022 0.000 1.237 364 I HN -0.311 nan 8.210 nan 0.000 0.421 365 N N 4.100 122.826 118.700 0.043 0.000 2.419 365 N HA 0.504 5.244 4.740 -0.000 0.000 0.264 365 N C -0.877 174.653 175.510 0.034 0.000 1.031 365 N CA -0.307 52.773 53.050 0.050 0.000 0.951 365 N CB 1.696 40.244 38.487 0.101 0.000 1.101 365 N HN 0.751 nan 8.380 nan 0.000 0.488 366 S N 2.180 117.840 115.700 -0.067 0.000 2.652 366 S HA 0.308 4.778 4.470 -0.000 0.000 0.273 366 S C -2.296 172.153 174.600 -0.252 0.000 1.172 366 S CA -1.007 57.062 58.200 -0.219 0.000 1.009 366 S CB 1.368 64.487 63.200 -0.135 0.000 1.094 366 S HN 0.267 nan 8.310 nan 0.000 0.471 367 P HA 0.030 nan 4.420 nan 0.000 0.231 367 P C 0.859 178.025 177.300 -0.224 0.000 1.158 367 P CA 0.496 63.462 63.100 -0.224 0.000 0.763 367 P CB 0.294 31.892 31.700 -0.171 0.000 0.805 368 V N -0.943 118.823 119.914 -0.246 0.000 3.528 368 V HA 0.217 4.337 4.120 -0.000 0.000 0.294 368 V C 2.301 178.264 176.094 -0.219 0.000 1.404 368 V CA 0.913 63.084 62.300 -0.215 0.000 1.065 368 V CB -0.318 31.370 31.823 -0.225 0.000 0.904 368 V HN 0.014 nan 8.190 nan 0.000 0.435 369 A N 1.466 124.159 122.820 -0.212 0.000 1.892 369 A HA -0.275 4.045 4.320 -0.000 0.000 0.218 369 A C 2.142 179.577 177.584 -0.249 0.000 1.188 369 A CA 2.368 54.304 52.037 -0.169 0.000 0.631 369 A CB -0.517 18.401 19.000 -0.137 0.000 0.822 369 A HN 0.700 nan 8.150 nan 0.000 0.447 370 K N -1.639 118.508 120.400 -0.422 0.000 2.362 370 K HA -0.154 4.166 4.320 -0.000 0.000 0.202 370 K C 1.048 177.259 176.600 -0.649 0.000 1.045 370 K CA 1.825 57.773 56.287 -0.566 0.000 0.936 370 K CB -0.437 31.604 32.500 -0.765 0.000 0.747 370 K HN 0.410 nan 8.250 nan 0.000 0.467 371 F N 1.151 120.920 119.950 -0.302 0.000 2.746 371 F HA 0.313 4.839 4.527 -0.000 0.000 0.297 371 F C 1.155 176.878 175.800 -0.129 0.000 1.113 371 F CA -0.249 57.576 58.000 -0.292 0.000 1.367 371 F CB 0.132 38.724 39.000 -0.680 0.000 1.111 371 F HN -0.140 nan 8.300 nan 0.000 0.590 372 L N -0.444 120.785 121.223 0.010 0.000 2.693 372 L HA 0.469 4.809 4.340 -0.000 0.000 0.253 372 L C -0.575 176.294 176.870 -0.001 0.000 1.155 372 L CA -1.175 53.690 54.840 0.042 0.000 1.026 372 L CB 0.729 42.816 42.059 0.046 0.000 1.817 372 L HN 0.031 nan 8.230 nan 0.000 0.556 373 N N -2.254 116.452 118.700 0.009 0.000 2.708 373 N HA 0.367 5.107 4.740 -0.000 0.000 0.257 373 N C -0.152 175.359 175.510 0.002 0.000 1.373 373 N CA -0.189 52.858 53.050 -0.004 0.000 0.843 373 N CB 1.257 39.746 38.487 0.004 0.000 1.503 373 N HN 0.534 nan 8.380 nan 0.000 0.504 374 A N 0.225 123.042 122.820 -0.004 0.000 1.927 374 A HA -0.272 4.048 4.320 -0.000 0.000 0.220 374 A C 1.767 179.356 177.584 0.008 0.000 1.185 374 A CA 2.068 54.105 52.037 0.000 0.000 0.639 374 A CB -1.061 17.937 19.000 -0.004 0.000 0.820 374 A HN 0.842 nan 8.150 nan 0.000 0.451 375 E N -0.528 119.677 120.200 0.009 0.000 2.017 375 E HA -0.175 4.175 4.350 -0.000 0.000 0.193 375 E C 1.985 178.596 176.600 0.019 0.000 0.997 375 E CA 1.370 57.777 56.400 0.012 0.000 0.804 375 E CB -0.255 29.452 29.700 0.012 0.000 0.757 375 E HN 0.691 nan 8.360 nan 0.000 0.448 376 I N 1.045 121.631 120.570 0.026 0.000 2.151 376 I HA -0.339 3.831 4.170 -0.000 0.000 0.243 376 I C 2.465 178.609 176.117 0.045 0.000 1.080 376 I CA 1.208 62.529 61.300 0.035 0.000 1.339 376 I CB -0.330 37.697 38.000 0.046 0.000 1.039 376 I HN 0.217 nan 8.210 nan 0.000 0.409 377 I N 0.126 120.723 120.570 0.045 0.000 2.286 377 I HA -0.248 3.922 4.170 -0.000 0.000 0.248 377 I C 2.585 178.730 176.117 0.046 0.000 1.115 377 I CA 1.176 62.511 61.300 0.059 0.000 1.392 377 I CB -0.401 37.626 38.000 0.044 0.000 1.065 377 I HN 0.259 nan 8.210 nan 0.000 0.418 378 E N 0.693 120.910 120.200 0.028 0.000 2.106 378 E HA -0.197 4.153 4.350 -0.000 0.000 0.192 378 E C 1.689 178.299 176.600 0.017 0.000 0.984 378 E CA 1.120 57.531 56.400 0.019 0.000 0.806 378 E CB -0.172 29.535 29.700 0.011 0.000 0.750 378 E HN 0.435 nan 8.360 nan 0.000 0.458 379 D N 0.417 120.829 120.400 0.021 0.000 2.097 379 D HA -0.081 4.559 4.640 -0.000 0.000 0.197 379 D C 2.150 178.462 176.300 0.019 0.000 0.984 379 D CA 0.585 54.594 54.000 0.016 0.000 0.826 379 D CB -0.237 40.572 40.800 0.015 0.000 0.973 379 D HN 0.186 nan 8.370 nan 0.000 0.460 380 I N 0.348 120.943 120.570 0.042 0.000 2.163 380 I HA -0.269 3.901 4.170 -0.000 0.000 0.243 380 I C 2.069 178.201 176.117 0.025 0.000 1.085 380 I CA 0.608 61.943 61.300 0.058 0.000 1.347 380 I CB -0.113 37.978 38.000 0.151 0.000 1.044 380 I HN 0.020 nan 8.210 nan 0.000 0.408 381 L N 0.248 121.488 121.223 0.029 0.000 2.079 381 L HA -0.244 4.095 4.340 -0.000 0.000 0.210 381 L C 2.077 178.940 176.870 -0.011 0.000 1.081 381 L CA 1.811 56.654 54.840 0.004 0.000 0.752 381 L CB -1.116 40.949 42.059 0.011 0.000 0.896 381 L HN 0.252 nan 8.230 nan 0.000 0.433 382 D N -1.099 119.298 120.400 -0.006 0.000 2.123 382 D HA -0.141 4.499 4.640 -0.000 0.000 0.200 382 D C 2.340 178.627 176.300 -0.022 0.000 0.976 382 D CA 0.735 54.727 54.000 -0.013 0.000 0.831 382 D CB 0.002 40.797 40.800 -0.008 0.000 0.974 382 D HN 0.214 nan 8.370 nan 0.000 0.469 383 R N 0.416 120.903 120.500 -0.022 0.000 2.148 383 R HA -0.082 4.258 4.340 -0.000 0.000 0.227 383 R C 1.799 178.069 176.300 -0.050 0.000 1.103 383 R CA 1.559 57.639 56.100 -0.033 0.000 0.983 383 R CB 0.011 30.293 30.300 -0.030 0.000 0.874 383 R HN 0.216 nan 8.270 nan 0.000 0.451 384 T N -3.154 111.367 114.554 -0.055 0.000 3.081 384 T HA 0.274 4.624 4.350 -0.000 0.000 0.250 384 T C 0.842 175.503 174.700 -0.065 0.000 1.100 384 T CA 0.375 62.429 62.100 -0.078 0.000 1.038 384 T CB 0.453 69.259 68.868 -0.104 0.000 0.962 384 T HN 0.264 nan 8.240 nan 0.000 0.516 385 A N 0.677 123.469 122.820 -0.048 0.000 2.791 385 A HA 0.115 4.435 4.320 -0.000 0.000 0.292 385 A C 0.826 178.385 177.584 -0.042 0.000 1.487 385 A CA 0.401 52.414 52.037 -0.040 0.000 0.760 385 A CB -2.447 16.529 19.000 -0.041 0.000 1.031 385 A HN 1.665 nan 8.150 nan 0.000 0.503 386 A N -0.460 122.334 122.820 -0.043 0.000 2.483 386 A HA 0.494 4.814 4.320 -0.000 0.000 0.238 386 A C 0.568 178.132 177.584 -0.033 0.000 1.070 386 A CA 0.728 52.738 52.037 -0.045 0.000 0.770 386 A CB 0.179 19.154 19.000 -0.042 0.000 1.008 386 A HN 0.809 nan 8.150 nan 0.000 0.497 387 Q N 0.402 120.182 119.800 -0.035 0.000 2.399 387 Q HA 0.284 4.624 4.340 -0.000 0.000 0.276 387 Q C -1.298 174.688 176.000 -0.024 0.000 1.098 387 Q CA -1.157 54.630 55.803 -0.027 0.000 0.827 387 Q CB 1.519 30.241 28.738 -0.027 0.000 1.386 387 Q HN 0.729 nan 8.270 nan 0.000 0.443 388 D N 0.322 120.712 120.400 -0.018 0.000 2.533 388 D HA 0.145 4.785 4.640 -0.000 0.000 0.236 388 D C 1.039 177.328 176.300 -0.018 0.000 1.137 388 D CA 1.858 55.849 54.000 -0.015 0.000 0.867 388 D CB 0.629 41.423 40.800 -0.011 0.000 1.170 388 D HN 0.839 nan 8.370 nan 0.000 0.474 389 G N 2.207 110.996 108.800 -0.018 0.000 2.195 389 G HA2 -0.233 3.727 3.960 -0.000 0.000 0.246 389 G HA3 -0.233 3.727 3.960 -0.000 0.000 0.246 389 G C 0.203 175.082 174.900 -0.034 0.000 0.984 389 G CA -0.016 45.072 45.100 -0.021 0.000 0.633 389 G HN 0.516 nan 8.290 nan 0.000 0.525 390 D N -0.182 120.192 120.400 -0.043 0.000 2.423 390 D HA 0.703 5.343 4.640 -0.000 0.000 0.255 390 D C 0.457 176.702 176.300 -0.092 0.000 1.174 390 D CA 0.023 53.983 54.000 -0.067 0.000 1.008 390 D CB 1.097 41.855 40.800 -0.070 0.000 1.101 390 D HN 0.314 nan 8.370 nan 0.000 0.516 391 M N 0.673 120.180 119.600 -0.155 0.000 2.457 391 M HA 0.456 4.936 4.480 -0.000 0.000 0.300 391 M C -2.096 174.014 176.300 -0.317 0.000 1.141 391 M CA -0.504 54.641 55.300 -0.259 0.000 0.901 391 M CB 1.695 34.041 32.600 -0.422 0.000 1.687 391 M HN 0.109 nan 8.290 nan 0.000 0.449 392 I N 4.858 125.241 120.570 -0.311 0.000 2.418 392 I HA 0.426 4.596 4.170 -0.000 0.000 0.287 392 I C -1.241 174.655 176.117 -0.368 0.000 1.008 392 I CA -0.315 60.781 61.300 -0.340 0.000 1.104 392 I CB 0.909 38.736 38.000 -0.290 0.000 1.264 392 I HN 0.608 nan 8.210 nan 0.000 0.438 393 F N 5.551 125.372 119.950 -0.215 0.000 2.470 393 F HA 0.615 5.142 4.527 -0.000 0.000 0.329 393 F C -0.186 175.464 175.800 -0.250 0.000 1.072 393 F CA -0.663 57.315 58.000 -0.037 0.000 0.989 393 F CB 1.520 40.516 39.000 -0.006 0.000 1.193 393 F HN 0.128 nan 8.300 nan 0.000 0.481 394 F N 0.276 120.451 119.950 0.375 0.000 2.532 394 F HA 0.668 5.195 4.527 -0.000 0.000 0.321 394 F C 0.401 176.324 175.800 0.206 0.000 1.089 394 F CA -1.215 56.927 58.000 0.237 0.000 0.926 394 F CB 2.028 41.203 39.000 0.291 0.000 1.168 394 F HN 0.479 nan 8.300 nan 0.000 0.459 395 G N 1.156 110.130 108.800 0.290 0.000 2.502 395 G HA2 0.638 4.598 3.960 -0.000 0.000 0.311 395 G HA3 0.638 4.598 3.960 -0.000 0.000 0.311 395 G C -1.537 173.471 174.900 0.180 0.000 1.270 395 G CA -0.794 44.419 45.100 0.189 0.000 0.948 395 G HN 0.869 nan 8.290 nan 0.000 0.487 396 A N 2.992 125.930 122.820 0.197 0.000 2.409 396 A HA 0.785 5.105 4.320 -0.000 0.000 0.300 396 A C -0.709 176.927 177.584 0.086 0.000 1.273 396 A CA -0.534 51.599 52.037 0.160 0.000 0.774 396 A CB 1.216 20.408 19.000 0.319 0.000 1.144 396 A HN 0.621 nan 8.150 nan 0.000 0.472 397 D N 0.355 120.785 120.400 0.051 0.000 3.182 397 D HA 0.096 4.736 4.640 -0.000 0.000 0.352 397 D C -0.888 175.423 176.300 0.017 0.000 1.421 397 D CA -0.325 53.691 54.000 0.026 0.000 0.912 397 D CB 0.656 41.472 40.800 0.027 0.000 1.461 397 D HN 0.614 nan 8.370 nan 0.000 0.548 398 N N 0.562 119.271 118.700 0.014 0.000 2.374 398 N HA -0.004 4.736 4.740 -0.000 0.000 0.241 398 N C 0.692 176.212 175.510 0.017 0.000 1.262 398 N CA 0.288 53.346 53.050 0.014 0.000 0.880 398 N CB 0.612 39.108 38.487 0.016 0.000 1.105 398 N HN 0.293 nan 8.380 nan 0.000 0.438 399 K N 0.534 120.943 120.400 0.016 0.000 2.077 399 K HA -0.306 4.014 4.320 -0.000 0.000 0.213 399 K C 1.637 178.245 176.600 0.015 0.000 1.051 399 K CA 2.005 58.299 56.287 0.013 0.000 0.929 399 K CB -0.159 32.352 32.500 0.018 0.000 0.715 399 K HN 0.691 nan 8.250 nan 0.000 0.451 400 K N 1.129 121.547 120.400 0.030 0.000 2.002 400 K HA -0.135 4.185 4.320 -0.000 0.000 0.209 400 K C 2.082 178.702 176.600 0.032 0.000 1.048 400 K CA 1.435 57.745 56.287 0.038 0.000 0.930 400 K CB -0.106 32.425 32.500 0.052 0.000 0.714 400 K HN 0.065 nan 8.250 nan 0.000 0.438 401 I N 1.034 121.624 120.570 0.033 0.000 2.208 401 I HA -0.288 3.882 4.170 -0.000 0.000 0.245 401 I C 2.302 178.434 176.117 0.025 0.000 1.097 401 I CA 1.015 62.338 61.300 0.039 0.000 1.363 401 I CB -0.232 37.790 38.000 0.036 0.000 1.051 401 I HN 0.032 nan 8.210 nan 0.000 0.413 402 V N 1.072 120.996 119.914 0.017 0.000 2.287 402 V HA -0.324 3.796 4.120 -0.000 0.000 0.248 402 V C 2.723 178.804 176.094 -0.022 0.000 1.053 402 V CA 2.136 64.440 62.300 0.007 0.000 1.027 402 V CB -1.052 30.775 31.823 0.008 0.000 0.646 402 V HN 0.512 nan 8.190 nan 0.000 0.447 403 A N -0.092 122.711 122.820 -0.029 0.000 1.877 403 A HA -0.240 4.080 4.320 -0.000 0.000 0.216 403 A C 1.994 179.536 177.584 -0.069 0.000 1.186 403 A CA 2.066 54.071 52.037 -0.053 0.000 0.620 403 A CB -0.677 18.290 19.000 -0.054 0.000 0.822 403 A HN 0.544 nan 8.150 nan 0.000 0.443 404 D N 0.109 120.483 120.400 -0.043 0.000 2.084 404 D HA -0.055 4.585 4.640 -0.000 0.000 0.194 404 D C 2.278 178.411 176.300 -0.277 0.000 0.990 404 D CA 1.779 55.736 54.000 -0.072 0.000 0.826 404 D CB -0.579 40.271 40.800 0.082 0.000 0.971 404 D HN 0.403 nan 8.370 nan 0.000 0.453 405 A N 0.667 123.394 122.820 -0.156 0.000 1.873 405 A HA -0.138 4.182 4.320 -0.000 0.000 0.215 405 A C 2.096 179.563 177.584 -0.196 0.000 1.186 405 A CA 1.472 53.384 52.037 -0.208 0.000 0.616 405 A CB -0.330 18.658 19.000 -0.020 0.000 0.823 405 A HN 0.086 nan 8.150 nan 0.000 0.442 406 M N -0.586 118.947 119.600 -0.112 0.000 2.288 406 M HA 0.030 4.510 4.480 -0.000 0.000 0.266 406 M C 2.264 178.505 176.300 -0.098 0.000 1.072 406 M CA 1.127 56.378 55.300 -0.082 0.000 1.132 406 M CB -1.865 30.706 32.600 -0.048 0.000 1.386 406 M HN 0.441 nan 8.290 nan 0.000 0.432 407 G N 0.115 108.844 108.800 -0.118 0.000 2.402 407 G HA2 -0.035 3.925 3.960 -0.000 0.000 0.216 407 G HA3 -0.035 3.925 3.960 -0.000 0.000 0.216 407 G C 1.669 176.499 174.900 -0.116 0.000 1.162 407 G CA 1.068 46.113 45.100 -0.093 0.000 0.777 407 G HN 0.514 nan 8.290 nan 0.000 0.539 408 A N 0.389 123.066 122.820 -0.239 0.000 1.898 408 A HA 0.110 4.430 4.320 -0.000 0.000 0.216 408 A C 2.332 179.974 177.584 0.097 0.000 1.181 408 A CA 1.592 53.501 52.037 -0.214 0.000 0.620 408 A CB -0.415 18.002 19.000 -0.971 0.000 0.819 408 A HN 0.428 nan 8.150 nan 0.000 0.442 409 L N -0.004 121.266 121.223 0.078 0.000 2.056 409 L HA -0.103 4.237 4.340 -0.000 0.000 0.207 409 L C 2.415 179.212 176.870 -0.122 0.000 1.078 409 L CA 2.309 57.166 54.840 0.027 0.000 0.749 409 L CB -0.638 41.374 42.059 -0.077 0.000 0.901 409 L HN 0.477 nan 8.230 nan 0.000 0.433 410 R N -0.548 119.902 120.500 -0.083 0.000 2.094 410 R HA -0.207 4.133 4.340 -0.000 0.000 0.239 410 R C 2.292 178.548 176.300 -0.074 0.000 1.137 410 R CA 2.351 58.407 56.100 -0.072 0.000 0.943 410 R CB -0.508 29.772 30.300 -0.034 0.000 0.850 410 R HN 0.461 nan 8.270 nan 0.000 0.433 411 L N 0.739 121.925 121.223 -0.062 0.000 2.017 411 L HA -0.179 4.161 4.340 -0.000 0.000 0.208 411 L C 2.835 179.649 176.870 -0.094 0.000 1.073 411 L CA 1.711 56.511 54.840 -0.066 0.000 0.745 411 L CB -0.496 41.532 42.059 -0.052 0.000 0.894 411 L HN 0.266 nan 8.230 nan 0.000 0.432 412 K N 0.123 120.438 120.400 -0.142 0.000 2.032 412 K HA -0.183 4.137 4.320 -0.000 0.000 0.209 412 K C 2.017 178.527 176.600 -0.149 0.000 1.048 412 K CA 1.741 57.893 56.287 -0.225 0.000 0.927 412 K CB -0.082 32.067 32.500 -0.584 0.000 0.712 412 K HN 0.072 nan 8.250 nan 0.000 0.441 413 V N 0.851 120.648 119.914 -0.194 0.000 2.407 413 V HA -0.193 3.927 4.120 -0.000 0.000 0.248 413 V C 2.430 178.484 176.094 -0.067 0.000 1.055 413 V CA 2.124 64.332 62.300 -0.152 0.000 1.049 413 V CB -0.918 30.749 31.823 -0.259 0.000 0.662 413 V HN 0.641 nan 8.190 nan 0.000 0.455 414 G N -0.368 108.389 108.800 -0.073 0.000 2.442 414 G HA2 -0.241 3.719 3.960 -0.000 0.000 0.219 414 G HA3 -0.241 3.719 3.960 -0.000 0.000 0.219 414 G C 1.686 176.560 174.900 -0.044 0.000 1.141 414 G CA 0.862 45.931 45.100 -0.051 0.000 0.763 414 G HN 0.489 nan 8.290 nan 0.000 0.554 415 K N 0.127 120.497 120.400 -0.050 0.000 2.044 415 K HA -0.008 4.312 4.320 -0.000 0.000 0.204 415 K C 2.179 178.763 176.600 -0.026 0.000 1.049 415 K CA 1.061 57.322 56.287 -0.043 0.000 0.945 415 K CB -0.111 32.359 32.500 -0.050 0.000 0.724 415 K HN 0.065 nan 8.250 nan 0.000 0.440 416 D N 0.948 121.341 120.400 -0.012 0.000 2.133 416 D HA -0.147 4.493 4.640 -0.000 0.000 0.195 416 D C 1.301 177.612 176.300 0.019 0.000 0.997 416 D CA 1.220 55.230 54.000 0.017 0.000 0.840 416 D CB 0.004 40.861 40.800 0.095 0.000 0.947 416 D HN 0.017 nan 8.370 nan 0.000 0.452 417 L N -0.559 120.675 121.223 0.018 0.000 2.653 417 L HA 0.304 4.644 4.340 -0.000 0.000 0.231 417 L C 1.401 178.266 176.870 -0.008 0.000 1.153 417 L CA 0.159 55.005 54.840 0.011 0.000 0.933 417 L CB -0.367 41.701 42.059 0.015 0.000 1.175 417 L HN 0.096 nan 8.230 nan 0.000 0.473 418 G N -0.077 108.713 108.800 -0.016 0.000 2.283 418 G HA2 -0.309 3.651 3.960 -0.000 0.000 0.280 418 G HA3 -0.309 3.651 3.960 -0.000 0.000 0.280 418 G C 1.014 175.898 174.900 -0.027 0.000 1.029 418 G CA 0.753 45.839 45.100 -0.024 0.000 0.840 418 G HN 0.434 nan 8.290 nan 0.000 0.505 419 L N -0.602 120.604 121.223 -0.028 0.000 2.375 419 L HA 0.104 4.444 4.340 -0.000 0.000 0.215 419 L C 1.539 178.388 176.870 -0.035 0.000 1.108 419 L CA 0.834 55.657 54.840 -0.029 0.000 0.830 419 L CB 0.003 42.045 42.059 -0.028 0.000 0.959 419 L HN 0.231 nan 8.230 nan 0.000 0.457 420 T N 0.672 115.201 114.554 -0.042 0.000 2.737 420 T HA 0.001 4.351 4.350 -0.000 0.000 0.296 420 T C 0.025 174.688 174.700 -0.062 0.000 0.922 420 T CA -0.258 61.810 62.100 -0.053 0.000 1.079 420 T CB 0.628 69.460 68.868 -0.060 0.000 0.892 420 T HN -0.023 nan 8.240 nan 0.000 0.514 421 D N 3.155 123.515 120.400 -0.066 0.000 2.385 421 D HA 0.019 4.659 4.640 -0.000 0.000 0.260 421 D C 1.200 177.432 176.300 -0.112 0.000 1.326 421 D CA -0.123 53.830 54.000 -0.078 0.000 1.023 421 D CB 0.539 41.296 40.800 -0.071 0.000 1.083 421 D HN 0.505 nan 8.370 nan 0.000 0.517 422 E N 1.414 121.548 120.200 -0.111 0.000 2.130 422 E HA -0.214 4.136 4.350 -0.000 0.000 0.196 422 E C 1.891 178.361 176.600 -0.216 0.000 0.998 422 E CA 1.596 57.911 56.400 -0.142 0.000 0.806 422 E CB 0.118 29.754 29.700 -0.107 0.000 0.738 422 E HN 0.528 nan 8.360 nan 0.000 0.459 423 S N 0.120 115.706 115.700 -0.189 0.000 2.348 423 S HA -0.185 4.285 4.470 -0.000 0.000 0.221 423 S C 1.228 175.611 174.600 -0.362 0.000 1.033 423 S CA 0.628 58.690 58.200 -0.230 0.000 1.010 423 S CB -0.424 62.700 63.200 -0.128 0.000 0.891 423 S HN 0.182 nan 8.310 nan 0.000 0.442 424 K N 0.493 120.740 120.400 -0.255 0.000 2.580 424 K HA -0.090 4.230 4.320 -0.000 0.000 0.278 424 K C -1.453 174.928 176.600 -0.365 0.000 0.960 424 K CA 0.366 56.522 56.287 -0.219 0.000 0.988 424 K CB 0.125 32.555 32.500 -0.117 0.000 0.887 424 K HN 0.523 nan 8.250 nan 0.000 0.509 425 W N 1.516 122.791 121.300 -0.042 0.000 2.417 425 W HA 0.468 5.127 4.660 -0.000 0.000 0.315 425 W C -0.473 175.938 176.519 -0.180 0.000 1.045 425 W CA -0.791 56.500 57.345 -0.090 0.000 1.221 425 W CB 1.879 31.286 29.460 -0.089 0.000 1.309 425 W HN 0.581 nan 8.180 nan 0.000 0.453 426 A N 6.369 129.211 122.820 0.036 0.000 2.802 426 A HA 0.484 4.804 4.320 -0.000 0.000 0.344 426 A C -2.634 174.790 177.584 -0.267 0.000 1.215 426 A CA -1.451 50.512 52.037 -0.123 0.000 0.821 426 A CB 0.090 19.019 19.000 -0.119 0.000 1.099 426 A HN 0.276 nan 8.150 nan 0.000 0.479 427 P HA 0.717 nan 4.420 nan 0.000 0.284 427 P C -0.703 176.158 177.300 -0.732 0.000 1.258 427 P CA -0.384 62.193 63.100 -0.871 0.000 0.824 427 P CB 1.843 32.477 31.700 -1.777 0.000 1.038 428 L N -1.929 118.947 121.223 -0.578 0.000 2.869 428 L HA 0.650 4.990 4.340 -0.000 0.000 0.265 428 L C -1.904 174.886 176.870 -0.133 0.000 1.011 428 L CA -1.034 53.661 54.840 -0.242 0.000 0.913 428 L CB 1.507 43.495 42.059 -0.117 0.000 1.490 428 L HN 0.243 nan 8.230 nan 0.000 0.410 429 W N 0.988 122.372 121.300 0.141 0.000 2.520 429 W HA 0.744 5.403 4.660 -0.000 0.000 0.323 429 W C -0.767 175.838 176.519 0.143 0.000 1.062 429 W CA -0.756 56.697 57.345 0.179 0.000 1.215 429 W CB 2.221 31.784 29.460 0.172 0.000 1.340 429 W HN 0.239 nan 8.180 nan 0.000 0.516 430 V N 6.196 126.391 119.914 0.468 0.000 2.357 430 V HA 0.456 4.576 4.120 -0.000 0.000 0.284 430 V C 0.185 176.546 176.094 0.445 0.000 1.018 430 V CA -0.788 61.702 62.300 0.317 0.000 0.841 430 V CB 0.316 32.268 31.823 0.215 0.000 0.991 430 V HN 0.478 nan 8.190 nan 0.000 0.437 431 I N 0.069 120.801 120.570 0.271 0.000 3.264 431 I HA 0.764 4.933 4.170 -0.000 0.000 0.309 431 I C -0.331 175.891 176.117 0.175 0.000 1.099 431 I CA -0.878 60.605 61.300 0.304 0.000 0.989 431 I CB 2.133 40.257 38.000 0.206 0.000 1.250 431 I HN 0.474 nan 8.210 nan 0.000 0.478 432 D N 0.956 121.469 120.400 0.188 0.000 2.746 432 D HA -0.184 4.456 4.640 -0.000 0.000 0.236 432 D C -0.749 175.580 176.300 0.048 0.000 1.129 432 D CA 0.930 54.990 54.000 0.100 0.000 0.691 432 D CB -1.387 39.455 40.800 0.070 0.000 1.077 432 D HN 0.402 nan 8.370 nan 0.000 0.432 433 F N -0.147 119.727 119.950 -0.127 0.000 2.444 433 F HA 0.328 4.855 4.527 -0.000 0.000 0.331 433 F C -1.247 174.289 175.800 -0.440 0.000 1.167 433 F CA -1.589 56.150 58.000 -0.436 0.000 1.262 433 F CB 0.114 38.859 39.000 -0.424 0.000 1.196 433 F HN -0.180 nan 8.300 nan 0.000 0.583 434 P HA 0.065 nan 4.420 nan 0.000 0.272 434 P C 0.579 177.713 177.300 -0.276 0.000 1.230 434 P CA -0.206 62.736 63.100 -0.263 0.000 0.788 434 P CB 0.554 32.103 31.700 -0.252 0.000 0.949 435 M N 0.394 119.784 119.600 -0.349 0.000 2.156 435 M HA 0.042 4.522 4.480 -0.000 0.000 0.264 435 M C 0.368 176.149 176.300 -0.864 0.000 1.067 435 M CA 1.840 56.710 55.300 -0.717 0.000 1.131 435 M CB -0.668 31.294 32.600 -1.063 0.000 1.368 435 M HN 0.289 nan 8.290 nan 0.000 0.416 436 F N -0.953 118.953 119.950 -0.072 0.000 2.618 436 F HA 0.508 5.035 4.527 -0.000 0.000 0.332 436 F C 0.008 175.783 175.800 -0.040 0.000 1.061 436 F CA -1.316 56.650 58.000 -0.056 0.000 0.974 436 F CB 1.077 40.051 39.000 -0.042 0.000 1.310 436 F HN -0.147 nan 8.300 nan 0.000 0.491 437 E N 0.438 120.761 120.200 0.206 0.000 2.272 437 E HA 0.208 4.558 4.350 -0.000 0.000 0.269 437 E C -1.779 174.879 176.600 0.097 0.000 0.877 437 E CA -0.889 55.582 56.400 0.119 0.000 0.755 437 E CB 1.669 31.424 29.700 0.091 0.000 1.192 437 E HN 0.553 nan 8.360 nan 0.000 0.422 438 D N 2.150 122.595 120.400 0.076 0.000 2.455 438 D HA -0.067 4.573 4.640 -0.000 0.000 0.241 438 D C 0.279 176.603 176.300 0.039 0.000 1.138 438 D CA 0.239 54.267 54.000 0.047 0.000 0.877 438 D CB 0.916 41.742 40.800 0.043 0.000 1.187 438 D HN 0.479 nan 8.370 nan 0.000 0.451 439 D N 2.145 122.558 120.400 0.022 0.000 2.340 439 D HA 0.143 4.783 4.640 -0.000 0.000 0.217 439 D C 1.456 177.764 176.300 0.013 0.000 1.081 439 D CA 0.402 54.413 54.000 0.019 0.000 0.842 439 D CB -0.161 40.644 40.800 0.009 0.000 0.934 439 D HN 0.575 nan 8.370 nan 0.000 0.511 440 G N 0.647 109.455 108.800 0.013 0.000 2.212 440 G HA2 -0.347 3.613 3.960 -0.000 0.000 0.266 440 G HA3 -0.347 3.613 3.960 -0.000 0.000 0.266 440 G C 0.533 175.434 174.900 0.002 0.000 0.978 440 G CA 0.422 45.527 45.100 0.010 0.000 0.632 440 G HN 0.495 nan 8.290 nan 0.000 0.537 441 E N -0.404 119.795 120.200 -0.001 0.000 2.789 441 E HA 0.441 4.791 4.350 -0.000 0.000 0.208 441 E C 1.521 178.114 176.600 -0.011 0.000 0.988 441 E CA 0.148 56.544 56.400 -0.006 0.000 1.092 441 E CB 0.395 30.091 29.700 -0.007 0.000 1.066 441 E HN 1.272 nan 8.360 nan 0.000 0.465 442 G N 0.825 109.618 108.800 -0.011 0.000 2.205 442 G HA2 -0.272 3.688 3.960 -0.000 0.000 0.261 442 G HA3 -0.272 3.688 3.960 -0.000 0.000 0.261 442 G C 0.544 175.427 174.900 -0.028 0.000 0.980 442 G CA -0.105 44.984 45.100 -0.017 0.000 0.632 442 G HN 0.522 nan 8.290 nan 0.000 0.533 443 G N -0.966 107.816 108.800 -0.029 0.000 2.705 443 G HA2 0.748 4.708 3.960 -0.000 0.000 0.299 443 G HA3 0.748 4.708 3.960 -0.000 0.000 0.299 443 G C -0.488 174.381 174.900 -0.051 0.000 1.315 443 G CA -0.986 44.086 45.100 -0.048 0.000 1.045 443 G HN 0.649 nan 8.290 nan 0.000 0.517 444 L N -0.423 120.744 121.223 -0.093 0.000 2.362 444 L HA 0.626 4.966 4.340 -0.000 0.000 0.271 444 L C 0.073 176.921 176.870 -0.037 0.000 1.002 444 L CA -0.713 54.073 54.840 -0.090 0.000 0.818 444 L CB 2.517 44.407 42.059 -0.281 0.000 1.298 444 L HN 0.574 nan 8.230 nan 0.000 0.420 445 T N 1.059 115.657 114.554 0.073 0.000 2.907 445 T HA 0.694 5.044 4.350 -0.000 0.000 0.292 445 T C -0.544 174.285 174.700 0.215 0.000 1.043 445 T CA -0.425 61.738 62.100 0.105 0.000 1.003 445 T CB 1.634 70.539 68.868 0.062 0.000 1.084 445 T HN 0.662 nan 8.240 nan 0.000 0.483 446 A N 4.134 127.054 122.820 0.165 0.000 2.491 446 A HA 0.364 4.684 4.320 -0.000 0.000 0.261 446 A C 1.391 178.967 177.584 -0.014 0.000 1.101 446 A CA -0.282 51.805 52.037 0.083 0.000 0.772 446 A CB -0.159 18.829 19.000 -0.020 0.000 1.043 446 A HN 1.010 nan 8.150 nan 0.000 0.501 447 M N 2.056 121.606 119.600 -0.082 0.000 2.080 447 M HA -0.169 4.311 4.480 -0.000 0.000 0.260 447 M C 1.539 177.778 176.300 -0.102 0.000 1.068 447 M CA 2.653 57.897 55.300 -0.093 0.000 1.109 447 M CB -0.576 31.925 32.600 -0.166 0.000 1.342 447 M HN 0.983 nan 8.290 nan 0.000 0.405 448 H N -1.465 117.414 119.070 -0.317 0.000 2.336 448 H HA 0.272 4.828 4.556 -0.000 0.000 0.307 448 H C -0.502 174.662 175.328 -0.274 0.000 1.056 448 H CA 1.394 57.206 56.048 -0.394 0.000 1.471 448 H CB 0.264 29.648 29.762 -0.630 0.000 1.502 448 H HN 0.548 nan 8.280 nan 0.000 0.630 449 H N -4.165 114.721 119.070 -0.307 0.000 3.037 449 H HA 0.297 4.853 4.556 -0.000 0.000 0.336 449 H C -2.565 172.517 175.328 -0.410 0.000 1.323 449 H CA -2.334 53.493 56.048 -0.368 0.000 1.159 449 H CB 0.267 29.801 29.762 -0.380 0.000 1.882 449 H HN -0.066 nan 8.280 nan 0.000 0.535 450 P HA -0.103 nan 4.420 nan 0.000 0.222 450 P C -0.028 176.944 177.300 -0.547 0.000 1.142 450 P CA 1.343 64.115 63.100 -0.547 0.000 0.788 450 P CB -0.071 31.200 31.700 -0.715 0.000 0.767 451 F N -2.529 117.441 119.950 0.033 0.000 2.639 451 F HA 0.213 4.740 4.527 -0.000 0.000 0.300 451 F C 0.848 176.669 175.800 0.034 0.000 1.109 451 F CA -0.234 57.723 58.000 -0.071 0.000 1.335 451 F CB -1.194 37.694 39.000 -0.186 0.000 1.014 451 F HN -0.345 nan 8.300 nan 0.000 0.537 452 T N 0.475 115.108 114.554 0.131 0.000 2.780 452 T HA 0.181 4.531 4.350 -0.000 0.000 0.294 452 T C 0.356 174.993 174.700 -0.105 0.000 0.949 452 T CA -0.182 61.903 62.100 -0.024 0.000 1.074 452 T CB 1.064 69.815 68.868 -0.196 0.000 0.910 452 T HN 0.139 nan 8.240 nan 0.000 0.501 453 S N 4.743 120.393 115.700 -0.084 0.000 2.565 453 S HA 0.325 4.795 4.470 -0.000 0.000 0.276 453 S C -2.185 172.347 174.600 -0.113 0.000 1.326 453 S CA -1.494 56.648 58.200 -0.096 0.000 1.045 453 S CB 0.337 63.503 63.200 -0.057 0.000 0.918 453 S HN 0.435 nan 8.310 nan 0.000 0.505 454 P HA 0.190 nan 4.420 nan 0.000 0.278 454 P C 0.206 177.469 177.300 -0.062 0.000 1.238 454 P CA -0.444 62.590 63.100 -0.110 0.000 0.794 454 P CB 0.869 32.515 31.700 -0.089 0.000 0.955 455 K N 1.311 121.682 120.400 -0.049 0.000 1.991 455 K HA -0.147 4.173 4.320 -0.000 0.000 0.212 455 K C 0.107 176.701 176.600 -0.010 0.000 1.049 455 K CA 1.664 57.940 56.287 -0.018 0.000 0.932 455 K CB -0.046 32.449 32.500 -0.008 0.000 0.717 455 K HN 0.413 nan 8.250 nan 0.000 0.441 456 D N -0.229 120.164 120.400 -0.011 0.000 2.846 456 D HA 0.261 4.901 4.640 -0.000 0.000 0.279 456 D C -1.130 175.166 176.300 -0.006 0.000 1.222 456 D CA 0.047 54.045 54.000 -0.005 0.000 0.769 456 D CB 0.709 41.510 40.800 0.002 0.000 1.299 456 D HN 0.128 nan 8.370 nan 0.000 0.537 457 M N -0.126 119.466 119.600 -0.013 0.000 2.575 457 M HA 0.357 4.837 4.480 -0.000 0.000 0.284 457 M C 0.238 176.527 176.300 -0.018 0.000 1.253 457 M CA -0.808 54.486 55.300 -0.011 0.000 0.861 457 M CB 2.536 35.133 32.600 -0.006 0.000 1.733 457 M HN -0.057 nan 8.290 nan 0.000 0.462 458 T N -1.275 113.270 114.554 -0.015 0.000 2.881 458 T HA 0.631 4.981 4.350 -0.000 0.000 0.278 458 T C 1.062 175.749 174.700 -0.023 0.000 0.982 458 T CA -0.232 61.854 62.100 -0.022 0.000 0.989 458 T CB 1.410 70.269 68.868 -0.016 0.000 1.058 458 T HN 0.716 nan 8.240 nan 0.000 0.529 459 A N 1.074 123.875 122.820 -0.033 0.000 1.883 459 A HA 0.101 4.421 4.320 -0.000 0.000 0.217 459 A C 2.659 180.234 177.584 -0.014 0.000 1.186 459 A CA 2.160 54.179 52.037 -0.029 0.000 0.624 459 A CB -1.650 17.325 19.000 -0.042 0.000 0.822 459 A HN 1.285 nan 8.150 nan 0.000 0.444 460 A N -0.300 122.511 122.820 -0.014 0.000 1.883 460 A HA -0.230 4.090 4.320 -0.000 0.000 0.217 460 A C 1.928 179.511 177.584 -0.002 0.000 1.186 460 A CA 1.883 53.915 52.037 -0.008 0.000 0.624 460 A CB -0.654 18.341 19.000 -0.008 0.000 0.822 460 A HN 0.664 nan 8.150 nan 0.000 0.444 461 E N -0.850 119.349 120.200 -0.001 0.000 2.038 461 E HA -0.207 4.143 4.350 -0.000 0.000 0.195 461 E C 1.979 178.589 176.600 0.017 0.000 1.000 461 E CA 1.278 57.682 56.400 0.006 0.000 0.803 461 E CB -0.320 29.383 29.700 0.004 0.000 0.750 461 E HN 0.478 nan 8.360 nan 0.000 0.448 462 L N 1.781 123.019 121.223 0.024 0.000 2.043 462 L HA -0.240 4.099 4.340 -0.000 0.000 0.212 462 L C 2.236 179.138 176.870 0.054 0.000 1.075 462 L CA 1.919 56.795 54.840 0.060 0.000 0.752 462 L CB -0.282 41.821 42.059 0.072 0.000 0.891 462 L HN -0.055 nan 8.230 nan 0.000 0.432 463 K N -1.077 119.335 120.400 0.020 0.000 2.097 463 K HA -0.125 4.195 4.320 -0.000 0.000 0.205 463 K C 1.924 178.518 176.600 -0.010 0.000 1.050 463 K CA 1.167 57.450 56.287 -0.007 0.000 0.938 463 K CB -0.154 32.339 32.500 -0.013 0.000 0.718 463 K HN 0.455 nan 8.250 nan 0.000 0.442 464 A N 0.440 123.260 122.820 -0.000 0.000 1.929 464 A HA 0.146 4.465 4.320 -0.000 0.000 0.216 464 A C 1.181 178.767 177.584 0.004 0.000 1.176 464 A CA 1.255 53.291 52.037 -0.001 0.000 0.628 464 A CB -0.036 18.964 19.000 0.001 0.000 0.816 464 A HN 0.321 nan 8.150 nan 0.000 0.444 465 A N -0.556 122.274 122.820 0.017 0.000 3.216 465 A HA 0.572 4.892 4.320 -0.000 0.000 0.321 465 A C -1.722 175.897 177.584 0.059 0.000 1.042 465 A CA -0.796 51.258 52.037 0.028 0.000 0.838 465 A CB 0.648 19.663 19.000 0.026 0.000 1.136 465 A HN 0.210 nan 8.150 nan 0.000 0.483 466 P HA -0.107 nan 4.420 nan 0.000 0.217 466 P C 0.983 178.420 177.300 0.228 0.000 1.154 466 P CA 1.025 64.214 63.100 0.149 0.000 0.841 466 P CB 0.272 31.936 31.700 -0.061 0.000 0.790 467 E N 1.810 122.074 120.200 0.106 0.000 2.171 467 E HA -0.205 4.145 4.350 -0.000 0.000 0.197 467 E C 1.245 177.915 176.600 0.118 0.000 0.997 467 E CA 1.671 58.141 56.400 0.117 0.000 0.810 467 E CB -1.455 28.278 29.700 0.055 0.000 0.738 467 E HN 0.462 nan 8.360 nan 0.000 0.467 468 N N 1.151 119.905 118.700 0.091 0.000 2.325 468 N HA 0.111 4.850 4.740 -0.000 0.000 0.182 468 N C 0.407 175.947 175.510 0.050 0.000 1.088 468 N CA 0.433 53.522 53.050 0.065 0.000 0.879 468 N CB -0.017 38.498 38.487 0.048 0.000 0.983 468 N HN 0.204 nan 8.380 nan 0.000 0.471 469 A N 0.744 123.603 122.820 0.066 0.000 2.565 469 A HA 0.305 4.625 4.320 -0.000 0.000 0.237 469 A C -0.006 177.551 177.584 -0.046 0.000 1.053 469 A CA -0.262 51.787 52.037 0.020 0.000 0.755 469 A CB 0.077 19.104 19.000 0.045 0.000 0.980 469 A HN 0.120 nan 8.150 nan 0.000 0.506 470 V N 2.777 122.663 119.914 -0.046 0.000 2.432 470 V HA 0.490 4.610 4.120 -0.000 0.000 0.275 470 V C 0.935 176.973 176.094 -0.093 0.000 1.043 470 V CA 0.006 62.270 62.300 -0.059 0.000 0.925 470 V CB 0.789 32.601 31.823 -0.017 0.000 0.985 470 V HN 1.145 nan 8.190 nan 0.000 0.466 471 A N 3.725 126.470 122.820 -0.126 0.000 2.304 471 A HA 0.370 4.690 4.320 -0.000 0.000 0.271 471 A C 0.487 178.030 177.584 -0.068 0.000 1.091 471 A CA -0.474 51.472 52.037 -0.151 0.000 0.812 471 A CB 0.077 18.942 19.000 -0.224 0.000 1.056 471 A HN 0.898 nan 8.150 nan 0.000 0.489 472 N N 0.241 118.901 118.700 -0.066 0.000 3.271 472 N HA 0.454 5.194 4.740 -0.000 0.000 0.303 472 N C -0.360 175.143 175.510 -0.011 0.000 1.415 472 N CA -0.102 52.956 53.050 0.012 0.000 1.159 472 N CB -0.008 38.493 38.487 0.023 0.000 1.432 472 N HN 0.769 nan 8.380 nan 0.000 0.521 473 A N 1.574 124.342 122.820 -0.086 0.000 2.423 473 A HA 0.710 5.030 4.320 -0.000 0.000 0.304 473 A C -1.602 175.854 177.584 -0.213 0.000 1.104 473 A CA -0.549 51.219 52.037 -0.449 0.000 0.757 473 A CB 0.880 19.539 19.000 -0.569 0.000 1.313 473 A HN 0.492 nan 8.150 nan 0.000 0.423 474 Y N -0.988 119.218 120.300 -0.156 0.000 2.521 474 Y HA 0.691 5.241 4.550 -0.000 0.000 0.332 474 Y C -1.479 174.481 175.900 0.100 0.000 1.121 474 Y CA -1.513 56.653 58.100 0.110 0.000 1.037 474 Y CB 1.039 39.545 38.460 0.077 0.000 1.330 474 Y HN 0.458 nan 8.280 nan 0.000 0.452 475 D N 2.847 123.533 120.400 0.476 0.000 2.340 475 D HA 0.429 5.069 4.640 -0.000 0.000 0.240 475 D C -1.068 175.467 176.300 0.392 0.000 1.001 475 D CA -0.594 53.590 54.000 0.306 0.000 0.888 475 D CB 2.384 43.340 40.800 0.260 0.000 1.310 475 D HN 0.791 nan 8.370 nan 0.000 0.474 476 M N 2.261 121.924 119.600 0.104 0.000 2.268 476 M HA 0.480 4.960 4.480 -0.000 0.000 0.344 476 M C -1.375 174.884 176.300 -0.069 0.000 1.106 476 M CA -0.819 54.332 55.300 -0.248 0.000 1.010 476 M CB 1.302 33.621 32.600 -0.467 0.000 1.649 476 M HN 0.242 nan 8.290 nan 0.000 0.443 477 V N 5.978 125.824 119.914 -0.114 0.000 2.735 477 V HA 0.721 4.841 4.120 -0.000 0.000 0.310 477 V C -1.461 174.545 176.094 -0.148 0.000 1.061 477 V CA -0.505 61.765 62.300 -0.051 0.000 0.913 477 V CB 2.114 33.936 31.823 -0.002 0.000 1.005 477 V HN 0.949 nan 8.190 nan 0.000 0.428 478 I N 4.742 125.279 120.570 -0.055 0.000 2.499 478 I HA 0.544 4.714 4.170 -0.000 0.000 0.288 478 I C -0.198 175.982 176.117 0.106 0.000 1.048 478 I CA -0.779 60.469 61.300 -0.086 0.000 1.062 478 I CB 1.921 39.835 38.000 -0.144 0.000 1.238 478 I HN 0.796 nan 8.210 nan 0.000 0.426 479 N N 4.758 123.483 118.700 0.043 0.000 2.725 479 N HA -0.196 4.543 4.740 -0.000 0.000 0.251 479 N C 0.870 176.398 175.510 0.030 0.000 1.031 479 N CA 1.451 54.538 53.050 0.061 0.000 0.720 479 N CB -1.040 37.548 38.487 0.169 0.000 0.930 479 N HN 1.167 nan 8.380 nan 0.000 0.543 480 G N -2.452 106.318 108.800 -0.050 0.000 2.155 480 G HA2 -0.368 3.592 3.960 -0.000 0.000 0.257 480 G HA3 -0.368 3.592 3.960 -0.000 0.000 0.257 480 G C -0.260 174.569 174.900 -0.118 0.000 0.983 480 G CA 0.602 45.630 45.100 -0.121 0.000 0.676 480 G HN 0.514 nan 8.290 nan 0.000 0.528 481 Y N 0.167 120.464 120.300 -0.004 0.000 2.377 481 Y HA 0.525 5.074 4.550 -0.000 0.000 0.339 481 Y C 0.553 176.470 175.900 0.027 0.000 1.011 481 Y CA -0.962 57.153 58.100 0.025 0.000 1.093 481 Y CB 1.397 39.888 38.460 0.051 0.000 1.201 481 Y HN 0.176 nan 8.280 nan 0.000 0.455 482 E N 3.066 123.396 120.200 0.216 0.000 2.070 482 E HA 0.204 4.554 4.350 -0.000 0.000 0.282 482 E C 0.203 176.901 176.600 0.163 0.000 1.104 482 E CA -0.180 56.312 56.400 0.154 0.000 0.876 482 E CB 0.726 30.503 29.700 0.128 0.000 1.055 482 E HN 0.704 nan 8.360 nan 0.000 0.401 483 V N 1.455 121.466 119.914 0.162 0.000 3.590 483 V HA 0.486 4.606 4.120 -0.000 0.000 0.265 483 V C 0.588 176.870 176.094 0.313 0.000 1.239 483 V CA 0.587 63.017 62.300 0.218 0.000 1.117 483 V CB 0.306 32.256 31.823 0.212 0.000 0.818 483 V HN 0.531 nan 8.190 nan 0.000 0.451 484 G N -1.725 107.169 108.800 0.157 0.000 2.547 484 G HA2 0.658 4.618 3.960 -0.000 0.000 0.291 484 G HA3 0.658 4.618 3.960 -0.000 0.000 0.291 484 G C -0.810 174.056 174.900 -0.057 0.000 1.471 484 G CA -0.086 44.985 45.100 -0.049 0.000 0.798 484 G HN 0.976 nan 8.290 nan 0.000 0.504 485 G N -1.662 107.076 108.800 -0.104 0.000 2.632 485 G HA2 0.967 4.927 3.960 -0.000 0.000 0.292 485 G HA3 0.967 4.927 3.960 -0.000 0.000 0.292 485 G C -0.343 174.404 174.900 -0.254 0.000 1.465 485 G CA 0.413 45.410 45.100 -0.171 0.000 0.824 485 G HN 1.890 nan 8.290 nan 0.000 0.509 486 G N -1.001 107.412 108.800 -0.645 0.000 2.554 486 G HA2 0.980 4.940 3.960 -0.000 0.000 0.306 486 G HA3 0.980 4.940 3.960 -0.000 0.000 0.306 486 G C -0.644 173.473 174.900 -1.304 0.000 1.320 486 G CA 0.726 45.462 45.100 -0.606 0.000 0.800 486 G HN 2.095 nan 8.290 nan 0.000 0.481 487 S N -2.155 113.133 115.700 -0.686 0.000 2.615 487 S HA 0.633 5.103 4.470 -0.000 0.000 0.268 487 S C -1.250 173.352 174.600 0.003 0.000 1.146 487 S CA -0.666 57.228 58.200 -0.510 0.000 0.818 487 S CB 1.323 64.319 63.200 -0.341 0.000 1.111 487 S HN 1.181 nan 8.310 nan 0.000 0.465 488 V N 2.753 122.714 119.914 0.078 0.000 2.583 488 V HA 0.446 4.566 4.120 -0.000 0.000 0.287 488 V C 0.291 176.377 176.094 -0.014 0.000 1.051 488 V CA -0.457 61.883 62.300 0.067 0.000 1.010 488 V CB 0.601 32.468 31.823 0.074 0.000 0.988 488 V HN 0.781 nan 8.190 nan 0.000 0.478 489 R N 3.937 124.368 120.500 -0.115 0.000 2.543 489 R HA 0.511 4.851 4.340 -0.000 0.000 0.268 489 R C -0.385 175.817 176.300 -0.163 0.000 1.067 489 R CA -0.858 55.128 56.100 -0.190 0.000 1.142 489 R CB 0.693 30.665 30.300 -0.546 0.000 1.110 489 R HN 0.541 nan 8.270 nan 0.000 0.549 490 I N 3.949 124.450 120.570 -0.114 0.000 2.452 490 I HA -0.007 4.163 4.170 -0.000 0.000 0.287 490 I C 1.526 177.601 176.117 -0.070 0.000 1.079 490 I CA 0.130 61.355 61.300 -0.124 0.000 1.387 490 I CB 0.397 38.321 38.000 -0.127 0.000 1.404 490 I HN 0.598 nan 8.210 nan 0.000 0.522 491 H N 3.600 122.639 119.070 -0.053 0.000 2.542 491 H HA 0.352 4.908 4.556 -0.000 0.000 0.283 491 H C -0.604 174.730 175.328 0.010 0.000 1.059 491 H CA -0.482 55.589 56.048 0.039 0.000 1.162 491 H CB -0.075 29.731 29.762 0.073 0.000 1.539 491 H HN 0.438 nan 8.280 nan 0.000 0.543 492 N N 0.348 118.916 118.700 -0.219 0.000 2.399 492 N HA 0.262 5.002 4.740 -0.000 0.000 0.284 492 N C 1.246 176.684 175.510 -0.121 0.000 1.025 492 N CA 0.004 52.956 53.050 -0.163 0.000 0.885 492 N CB 1.828 40.176 38.487 -0.232 0.000 1.339 492 N HN 0.280 nan 8.380 nan 0.000 0.487 493 G N 1.240 109.992 108.800 -0.080 0.000 2.469 493 G HA2 -0.329 3.631 3.960 -0.000 0.000 0.220 493 G HA3 -0.329 3.631 3.960 -0.000 0.000 0.220 493 G C 1.164 176.018 174.900 -0.077 0.000 1.136 493 G CA 0.869 45.926 45.100 -0.073 0.000 0.759 493 G HN 0.620 nan 8.290 nan 0.000 0.562 494 D N -0.091 120.265 120.400 -0.074 0.000 2.117 494 D HA -0.111 4.529 4.640 -0.000 0.000 0.197 494 D C 2.376 178.625 176.300 -0.084 0.000 0.987 494 D CA 1.194 55.156 54.000 -0.063 0.000 0.829 494 D CB -0.245 40.523 40.800 -0.054 0.000 0.961 494 D HN 0.243 nan 8.370 nan 0.000 0.460 495 M N 0.087 119.619 119.600 -0.113 0.000 2.132 495 M HA -0.124 4.356 4.480 -0.000 0.000 0.263 495 M C 1.965 178.156 176.300 -0.182 0.000 1.065 495 M CA 1.486 56.709 55.300 -0.130 0.000 1.122 495 M CB -0.467 32.041 32.600 -0.154 0.000 1.365 495 M HN -0.094 nan 8.290 nan 0.000 0.411 496 Q N 0.274 119.937 119.800 -0.228 0.000 2.050 496 Q HA -0.243 4.097 4.340 -0.000 0.000 0.202 496 Q C 2.148 177.839 176.000 -0.515 0.000 0.980 496 Q CA 2.492 58.045 55.803 -0.416 0.000 0.840 496 Q CB -0.577 27.954 28.738 -0.345 0.000 0.898 496 Q HN 0.771 nan 8.270 nan 0.000 0.424 497 Q N -1.143 118.529 119.800 -0.213 0.000 2.096 497 Q HA -0.160 4.180 4.340 -0.000 0.000 0.204 497 Q C 1.675 177.661 176.000 -0.023 0.000 0.982 497 Q CA 2.014 57.801 55.803 -0.025 0.000 0.850 497 Q CB -0.128 28.623 28.738 0.021 0.000 0.901 497 Q HN 0.452 nan 8.270 nan 0.000 0.422 498 T N 0.236 114.751 114.554 -0.066 0.000 2.746 498 T HA -0.115 4.235 4.350 -0.000 0.000 0.267 498 T C 1.864 176.545 174.700 -0.031 0.000 1.039 498 T CA 1.386 63.464 62.100 -0.036 0.000 1.142 498 T CB -0.234 68.612 68.868 -0.036 0.000 0.866 498 T HN 0.119 nan 8.240 nan 0.000 0.444 499 V N 1.009 120.873 119.914 -0.083 0.000 2.295 499 V HA -0.132 3.988 4.120 -0.000 0.000 0.246 499 V C 2.227 178.330 176.094 0.015 0.000 1.049 499 V CA 1.542 63.830 62.300 -0.021 0.000 1.024 499 V CB -0.784 30.964 31.823 -0.125 0.000 0.648 499 V HN 0.353 nan 8.190 nan 0.000 0.447 500 F N 1.527 121.450 119.950 -0.045 0.000 2.161 500 F HA -0.095 4.432 4.527 0.000 0.000 0.300 500 F C 2.394 178.166 175.800 -0.045 0.000 1.089 500 F CA 1.278 59.246 58.000 -0.054 0.000 1.282 500 F CB -1.573 37.411 39.000 -0.027 0.000 1.010 500 F HN 0.209 nan 8.300 nan 0.000 0.485 501 G N 0.021 108.908 108.800 0.145 0.000 2.402 501 G HA2 -0.199 3.761 3.960 -0.000 0.000 0.216 501 G HA3 -0.199 3.761 3.960 -0.000 0.000 0.216 501 G C 1.871 176.755 174.900 -0.028 0.000 1.162 501 G CA 0.824 45.954 45.100 0.049 0.000 0.777 501 G HN 0.362 nan 8.290 nan 0.000 0.539 502 I N 0.534 121.052 120.570 -0.087 0.000 2.286 502 I HA -0.113 4.057 4.170 -0.000 0.000 0.248 502 I C 2.310 178.276 176.117 -0.252 0.000 1.115 502 I CA 0.708 61.862 61.300 -0.243 0.000 1.392 502 I CB -0.117 37.600 38.000 -0.472 0.000 1.065 502 I HN 0.099 nan 8.210 nan 0.000 0.418 503 L N 0.565 121.708 121.223 -0.133 0.000 2.622 503 L HA 0.058 4.398 4.340 -0.000 0.000 0.233 503 L C 1.562 178.412 176.870 -0.034 0.000 1.156 503 L CA 0.645 55.446 54.840 -0.066 0.000 0.866 503 L CB -0.703 41.390 42.059 0.056 0.000 0.980 503 L HN 0.542 nan 8.230 nan 0.000 0.448 504 G N 0.780 109.560 108.800 -0.035 0.000 2.136 504 G HA2 -0.283 3.677 3.960 -0.000 0.000 0.242 504 G HA3 -0.283 3.677 3.960 -0.000 0.000 0.242 504 G C 0.184 175.081 174.900 -0.005 0.000 0.989 504 G CA -0.263 44.823 45.100 -0.024 0.000 0.682 504 G HN 0.320 nan 8.290 nan 0.000 0.522 505 I N 2.201 122.782 120.570 0.018 0.000 2.301 505 I HA 0.191 4.361 4.170 -0.000 0.000 0.292 505 I C 0.811 176.933 176.117 0.009 0.000 1.046 505 I CA -0.843 60.458 61.300 0.001 0.000 1.282 505 I CB 0.360 38.346 38.000 -0.024 0.000 1.409 505 I HN 0.404 nan 8.210 nan 0.000 0.484 506 N N 5.366 124.061 118.700 -0.008 0.000 2.326 506 N HA -0.013 4.727 4.740 -0.000 0.000 0.239 506 N C 0.821 176.331 175.510 -0.000 0.000 1.301 506 N CA -0.306 52.743 53.050 -0.002 0.000 0.909 506 N CB 0.651 39.132 38.487 -0.010 0.000 1.156 506 N HN 0.390 nan 8.380 nan 0.000 0.462 507 E N -0.123 120.083 120.200 0.010 0.000 2.070 507 E HA -0.302 4.048 4.350 -0.000 0.000 0.197 507 E C 1.308 177.906 176.600 -0.003 0.000 1.004 507 E CA 1.656 58.065 56.400 0.016 0.000 0.805 507 E CB -0.279 29.430 29.700 0.016 0.000 0.744 507 E HN 0.826 nan 8.360 nan 0.000 0.451 508 E N 1.150 121.341 120.200 -0.014 0.000 2.033 508 E HA -0.255 4.095 4.350 -0.000 0.000 0.199 508 E C 1.961 178.530 176.600 -0.052 0.000 1.011 508 E CA 2.218 58.603 56.400 -0.026 0.000 0.815 508 E CB -0.340 29.344 29.700 -0.026 0.000 0.755 508 E HN 0.213 nan 8.360 nan 0.000 0.451 509 E N -0.144 120.017 120.200 -0.065 0.000 2.110 509 E HA -0.235 4.115 4.350 -0.000 0.000 0.193 509 E C 2.166 178.671 176.600 -0.158 0.000 0.988 509 E CA 1.610 57.943 56.400 -0.112 0.000 0.804 509 E CB -0.142 29.498 29.700 -0.099 0.000 0.745 509 E HN 0.445 nan 8.360 nan 0.000 0.458 510 Q N -0.416 119.319 119.800 -0.108 0.000 2.020 510 Q HA -0.146 4.194 4.340 -0.000 0.000 0.202 510 Q C 2.332 178.298 176.000 -0.057 0.000 0.982 510 Q CA 1.394 57.136 55.803 -0.102 0.000 0.838 510 Q CB -0.078 28.677 28.738 0.027 0.000 0.899 510 Q HN 0.157 nan 8.270 nan 0.000 0.423 511 R N 0.611 121.096 120.500 -0.026 0.000 2.073 511 R HA -0.146 4.194 4.340 -0.000 0.000 0.234 511 R C 2.115 178.387 176.300 -0.047 0.000 1.134 511 R CA 1.426 57.520 56.100 -0.011 0.000 0.952 511 R CB -0.622 29.679 30.300 0.003 0.000 0.850 511 R HN 0.303 nan 8.270 nan 0.000 0.433 512 E N 1.224 121.375 120.200 -0.083 0.000 2.038 512 E HA -0.170 4.180 4.350 -0.000 0.000 0.195 512 E C 1.495 177.994 176.600 -0.168 0.000 1.000 512 E CA 1.676 58.016 56.400 -0.101 0.000 0.803 512 E CB 0.099 29.734 29.700 -0.108 0.000 0.750 512 E HN 0.009 nan 8.360 nan 0.000 0.448 513 K N -1.004 119.189 120.400 -0.345 0.000 2.211 513 K HA 0.050 4.370 4.320 -0.000 0.000 0.201 513 K C 0.810 176.884 176.600 -0.877 0.000 1.052 513 K CA 0.574 56.459 56.287 -0.670 0.000 0.973 513 K CB 0.163 32.031 32.500 -1.053 0.000 0.766 513 K HN 0.211 nan 8.250 nan 0.000 0.466 514 F N -0.507 119.332 119.950 -0.184 0.000 2.775 514 F HA 0.312 4.839 4.527 0.000 0.000 0.313 514 F C 1.650 177.249 175.800 -0.335 0.000 1.121 514 F CA -0.634 57.164 58.000 -0.337 0.000 1.206 514 F CB 0.008 38.890 39.000 -0.196 0.000 1.052 514 F HN -0.052 nan 8.300 nan 0.000 0.524 515 G N 1.360 110.120 108.800 -0.066 0.000 2.476 515 G HA2 -0.353 3.607 3.960 -0.000 0.000 0.218 515 G HA3 -0.353 3.607 3.960 -0.000 0.000 0.218 515 G C 1.654 176.558 174.900 0.007 0.000 1.164 515 G CA 1.496 46.602 45.100 0.011 0.000 0.768 515 G HN 0.455 nan 8.290 nan 0.000 0.560 516 F N 0.715 120.715 119.950 0.083 0.000 2.216 516 F HA 0.087 4.614 4.527 -0.000 0.000 0.300 516 F C 2.080 177.939 175.800 0.097 0.000 1.085 516 F CA 1.020 59.068 58.000 0.079 0.000 1.326 516 F CB -0.738 38.287 39.000 0.043 0.000 1.027 516 F HN 0.130 nan 8.300 nan 0.000 0.497 517 L N 0.451 121.186 121.223 -0.813 0.000 2.023 517 L HA -0.025 4.315 4.340 -0.000 0.000 0.205 517 L C 2.077 178.885 176.870 -0.104 0.000 1.073 517 L CA 1.503 56.090 54.840 -0.421 0.000 0.745 517 L CB -1.000 40.770 42.059 -0.481 0.000 0.900 517 L HN 0.150 nan 8.230 nan 0.000 0.435 518 L N 0.087 121.286 121.223 -0.040 0.000 2.042 518 L HA -0.224 4.115 4.340 -0.000 0.000 0.210 518 L C 2.328 179.199 176.870 0.002 0.000 1.076 518 L CA 1.641 56.495 54.840 0.022 0.000 0.749 518 L CB -1.637 40.470 42.059 0.079 0.000 0.893 518 L HN 0.367 nan 8.230 nan 0.000 0.432 519 D N -0.628 119.793 120.400 0.036 0.000 2.117 519 D HA -0.095 4.545 4.640 -0.000 0.000 0.198 519 D C 2.227 178.587 176.300 0.100 0.000 0.982 519 D CA 1.378 55.418 54.000 0.066 0.000 0.828 519 D CB -0.011 40.889 40.800 0.167 0.000 0.967 519 D HN 0.280 nan 8.370 nan 0.000 0.464 520 A N 0.937 123.860 122.820 0.170 0.000 1.940 520 A HA -0.134 4.186 4.320 -0.000 0.000 0.219 520 A C 2.295 179.955 177.584 0.126 0.000 1.176 520 A CA 0.874 53.053 52.037 0.237 0.000 0.631 520 A CB -0.843 18.266 19.000 0.182 0.000 0.814 520 A HN 0.238 nan 8.150 nan 0.000 0.446 521 L N -1.105 120.131 121.223 0.023 0.000 2.450 521 L HA -0.143 4.197 4.340 -0.000 0.000 0.224 521 L C 1.991 178.808 176.870 -0.088 0.000 1.149 521 L CA 1.112 55.947 54.840 -0.009 0.000 0.816 521 L CB -0.315 41.733 42.059 -0.018 0.000 0.932 521 L HN 0.380 nan 8.230 nan 0.000 0.449 522 K N -0.737 119.504 120.400 -0.264 0.000 2.459 522 K HA -0.017 4.303 4.320 -0.000 0.000 0.193 522 K C -0.367 175.905 176.600 -0.546 0.000 1.030 522 K CA 0.401 56.404 56.287 -0.474 0.000 1.026 522 K CB 0.258 32.325 32.500 -0.722 0.000 0.809 522 K HN 0.191 nan 8.250 nan 0.000 0.504 523 Y N 0.654 120.972 120.300 0.030 0.000 2.726 523 Y HA 0.294 4.844 4.550 -0.000 0.000 0.367 523 Y C 0.656 176.571 175.900 0.025 0.000 1.038 523 Y CA -1.137 56.979 58.100 0.026 0.000 1.174 523 Y CB 0.673 39.147 38.460 0.024 0.000 1.265 523 Y HN 0.105 nan 8.280 nan 0.000 0.622 524 G N 1.287 110.162 108.800 0.124 0.000 2.359 524 G HA2 -0.290 3.670 3.960 -0.000 0.000 0.298 524 G HA3 -0.290 3.670 3.960 -0.000 0.000 0.298 524 G C 0.186 175.135 174.900 0.082 0.000 1.030 524 G CA 0.522 45.684 45.100 0.102 0.000 1.149 524 G HN 0.681 nan 8.290 nan 0.000 0.512 525 T N 0.743 115.339 114.554 0.070 0.000 2.832 525 T HA 0.632 4.982 4.350 -0.000 0.000 0.296 525 T C -1.099 173.594 174.700 -0.010 0.000 0.968 525 T CA -0.951 61.165 62.100 0.028 0.000 1.107 525 T CB 1.771 70.674 68.868 0.058 0.000 0.916 525 T HN 0.343 nan 8.240 nan 0.000 0.517 526 P HA 0.387 nan 4.420 nan 0.000 0.276 526 P C -2.816 174.247 177.300 -0.395 0.000 1.244 526 P CA -2.022 60.825 63.100 -0.422 0.000 0.801 526 P CB 0.191 31.391 31.700 -0.833 0.000 1.006 527 P HA 0.103 nan 4.420 nan 0.000 0.271 527 P C -0.539 176.651 177.300 -0.183 0.000 1.216 527 P CA 0.764 63.522 63.100 -0.570 0.000 0.776 527 P CB 0.288 31.639 31.700 -0.582 0.000 0.881 528 H N 0.192 119.160 119.070 -0.169 0.000 3.016 528 H HA 0.840 5.396 4.556 -0.000 0.000 0.362 528 H C -1.766 173.585 175.328 0.038 0.000 1.233 528 H CA -1.314 54.686 56.048 -0.080 0.000 1.124 528 H CB 1.511 31.228 29.762 -0.076 0.000 1.850 528 H HN 0.609 nan 8.280 nan 0.000 0.549 529 A N 0.295 123.198 122.820 0.139 0.000 2.605 529 A HA 0.790 5.110 4.320 -0.000 0.000 0.294 529 A C -0.672 177.054 177.584 0.237 0.000 1.062 529 A CA -0.119 52.006 52.037 0.147 0.000 0.682 529 A CB 1.798 20.886 19.000 0.147 0.000 1.278 529 A HN 1.309 nan 8.150 nan 0.000 0.410 530 G N -0.892 108.067 108.800 0.266 0.000 2.731 530 G HA2 0.807 4.767 3.960 -0.000 0.000 0.309 530 G HA3 0.807 4.767 3.960 -0.000 0.000 0.309 530 G C -1.537 173.532 174.900 0.281 0.000 1.273 530 G CA 0.112 45.389 45.100 0.294 0.000 0.798 530 G HN 1.909 nan 8.290 nan 0.000 0.509 531 L N -1.688 119.672 121.223 0.228 0.000 2.947 531 L HA 0.764 5.104 4.340 -0.000 0.000 0.267 531 L C -1.537 175.372 176.870 0.064 0.000 1.004 531 L CA -0.630 54.286 54.840 0.127 0.000 0.937 531 L CB 1.747 43.874 42.059 0.113 0.000 1.496 531 L HN 1.545 nan 8.230 nan 0.000 0.409 532 A N 1.697 124.503 122.820 -0.024 0.000 2.486 532 A HA 0.833 5.153 4.320 -0.000 0.000 0.300 532 A C -1.854 175.676 177.584 -0.089 0.000 1.048 532 A CA -0.321 51.735 52.037 0.031 0.000 0.696 532 A CB 1.246 20.349 19.000 0.172 0.000 1.278 532 A HN 0.464 nan 8.150 nan 0.000 0.405 533 F N 0.546 120.591 119.950 0.159 0.000 2.483 533 F HA 0.615 5.142 4.527 -0.000 0.000 0.329 533 F C 1.163 177.058 175.800 0.159 0.000 1.064 533 F CA -0.291 57.788 58.000 0.132 0.000 0.986 533 F CB 2.142 41.194 39.000 0.087 0.000 1.218 533 F HN 0.665 nan 8.300 nan 0.000 0.484 534 G N 2.181 111.203 108.800 0.371 0.000 2.457 534 G HA2 0.346 4.306 3.960 -0.000 0.000 0.316 534 G HA3 0.346 4.306 3.960 -0.000 0.000 0.316 534 G C 0.600 175.629 174.900 0.215 0.000 1.030 534 G CA -0.256 45.014 45.100 0.283 0.000 1.073 534 G HN 0.702 nan 8.290 nan 0.000 0.430 535 L N 2.253 123.595 121.223 0.199 0.000 2.042 535 L HA -0.097 4.243 4.340 -0.000 0.000 0.210 535 L C 2.104 179.005 176.870 0.052 0.000 1.076 535 L CA 2.063 56.962 54.840 0.099 0.000 0.749 535 L CB -0.286 41.821 42.059 0.081 0.000 0.893 535 L HN 0.570 nan 8.230 nan 0.000 0.432 536 D N -0.596 119.852 120.400 0.080 0.000 2.104 536 D HA -0.225 4.415 4.640 -0.000 0.000 0.194 536 D C 2.147 178.440 176.300 -0.012 0.000 0.994 536 D CA 1.564 55.584 54.000 0.034 0.000 0.830 536 D CB -0.120 40.719 40.800 0.065 0.000 0.959 536 D HN 0.443 nan 8.370 nan 0.000 0.452 537 R N 0.426 120.924 120.500 -0.003 0.000 2.092 537 R HA -0.011 4.329 4.340 -0.000 0.000 0.231 537 R C 2.700 178.956 176.300 -0.074 0.000 1.119 537 R CA 0.443 56.498 56.100 -0.074 0.000 0.970 537 R CB -0.283 29.995 30.300 -0.037 0.000 0.864 537 R HN 0.206 nan 8.270 nan 0.000 0.440 538 L N -0.029 121.191 121.223 -0.005 0.000 2.083 538 L HA -0.171 4.169 4.340 -0.000 0.000 0.209 538 L C 2.186 178.996 176.870 -0.100 0.000 1.083 538 L CA 1.405 56.243 54.840 -0.003 0.000 0.752 538 L CB -0.581 41.455 42.059 -0.039 0.000 0.899 538 L HN 0.243 nan 8.230 nan 0.000 0.433 539 T N -0.569 113.923 114.554 -0.102 0.000 2.904 539 T HA -0.126 4.224 4.350 -0.000 0.000 0.267 539 T C 1.925 176.552 174.700 -0.122 0.000 1.059 539 T CA 1.137 63.158 62.100 -0.131 0.000 1.137 539 T CB -0.103 68.708 68.868 -0.096 0.000 0.879 539 T HN 0.223 nan 8.240 nan 0.000 0.467 540 M N 0.297 119.832 119.600 -0.108 0.000 2.086 540 M HA -0.042 4.438 4.480 -0.000 0.000 0.261 540 M C 2.085 178.334 176.300 -0.085 0.000 1.067 540 M CA 1.320 56.556 55.300 -0.106 0.000 1.116 540 M CB -0.488 32.018 32.600 -0.158 0.000 1.348 540 M HN 0.138 nan 8.290 nan 0.000 0.407 541 L N 0.391 121.563 121.223 -0.085 0.000 2.017 541 L HA -0.137 4.203 4.340 -0.000 0.000 0.208 541 L C 2.190 179.108 176.870 0.082 0.000 1.073 541 L CA 1.848 56.748 54.840 0.101 0.000 0.745 541 L CB -0.909 41.307 42.059 0.261 0.000 0.894 541 L HN 0.299 nan 8.230 nan 0.000 0.432 542 L N -1.100 119.995 121.223 -0.213 0.000 2.456 542 L HA -0.125 4.215 4.340 -0.000 0.000 0.224 542 L C 1.649 178.396 176.870 -0.205 0.000 1.148 542 L CA 1.351 55.947 54.840 -0.406 0.000 0.825 542 L CB -0.632 41.061 42.059 -0.610 0.000 0.937 542 L HN 0.472 nan 8.230 nan 0.000 0.450 543 T N -5.300 109.188 114.554 -0.110 0.000 3.040 543 T HA 0.289 4.639 4.350 -0.000 0.000 0.266 543 T C 1.260 175.945 174.700 -0.024 0.000 1.005 543 T CA 0.286 62.342 62.100 -0.075 0.000 0.906 543 T CB 0.820 69.639 68.868 -0.082 0.000 1.082 543 T HN 0.293 nan 8.240 nan 0.000 0.531 544 G N 2.258 111.068 108.800 0.016 0.000 2.221 544 G HA2 -0.232 3.728 3.960 -0.000 0.000 0.265 544 G HA3 -0.232 3.728 3.960 -0.000 0.000 0.265 544 G C 0.090 175.000 174.900 0.018 0.000 1.041 544 G CA 0.366 45.488 45.100 0.036 0.000 0.807 544 G HN 1.098 nan 8.290 nan 0.000 0.502 545 T N -1.993 112.564 114.554 0.005 0.000 2.943 545 T HA 0.614 4.964 4.350 -0.000 0.000 0.284 545 T C 0.657 175.377 174.700 0.034 0.000 1.015 545 T CA 0.017 62.123 62.100 0.010 0.000 1.042 545 T CB 2.041 70.906 68.868 -0.006 0.000 1.055 545 T HN 0.290 nan 8.240 nan 0.000 0.500 546 D N -0.345 120.093 120.400 0.063 0.000 2.440 546 D HA 0.050 4.690 4.640 -0.000 0.000 0.216 546 D C -0.150 176.215 176.300 0.109 0.000 1.150 546 D CA -0.385 53.694 54.000 0.132 0.000 0.832 546 D CB 0.104 40.976 40.800 0.119 0.000 0.992 546 D HN 0.387 nan 8.370 nan 0.000 0.502 547 N N 1.265 120.000 118.700 0.058 0.000 2.399 547 N HA 0.165 4.905 4.740 -0.000 0.000 0.284 547 N C 0.394 175.918 175.510 0.023 0.000 1.025 547 N CA -0.633 52.444 53.050 0.045 0.000 0.885 547 N CB 1.873 40.379 38.487 0.032 0.000 1.339 547 N HN -0.004 nan 8.380 nan 0.000 0.487 548 I N 3.368 123.956 120.570 0.028 0.000 2.493 548 I HA -0.133 4.037 4.170 -0.000 0.000 0.254 548 I C 1.783 177.905 176.117 0.009 0.000 1.160 548 I CA 0.935 62.242 61.300 0.013 0.000 1.445 548 I CB 0.232 38.245 38.000 0.022 0.000 1.086 548 I HN 0.517 nan 8.210 nan 0.000 0.433 549 R N 0.574 121.083 120.500 0.016 0.000 2.120 549 R HA -0.172 4.168 4.340 -0.000 0.000 0.234 549 R C 1.571 177.863 176.300 -0.014 0.000 1.123 549 R CA 1.612 57.718 56.100 0.009 0.000 0.975 549 R CB -0.333 29.977 30.300 0.018 0.000 0.866 549 R HN 0.443 nan 8.270 nan 0.000 0.446 550 D N -0.002 120.389 120.400 -0.016 0.000 2.310 550 D HA -0.094 4.546 4.640 -0.000 0.000 0.212 550 D C 1.427 177.697 176.300 -0.050 0.000 0.965 550 D CA 1.043 55.023 54.000 -0.032 0.000 0.879 550 D CB 0.258 41.043 40.800 -0.025 0.000 0.921 550 D HN 0.224 nan 8.370 nan 0.000 0.510 551 V N -1.646 118.241 119.914 -0.045 0.000 3.271 551 V HA 0.341 4.461 4.120 -0.000 0.000 0.327 551 V C 0.426 176.486 176.094 -0.057 0.000 1.389 551 V CA -0.354 61.912 62.300 -0.056 0.000 1.156 551 V CB -0.335 31.457 31.823 -0.052 0.000 1.103 551 V HN -0.120 nan 8.190 nan 0.000 0.453 552 I N 0.778 121.311 120.570 -0.061 0.000 2.466 552 I HA 0.662 4.832 4.170 -0.000 0.000 0.289 552 I C 1.497 177.523 176.117 -0.151 0.000 1.026 552 I CA -0.325 60.935 61.300 -0.066 0.000 1.078 552 I CB 1.966 39.960 38.000 -0.011 0.000 1.249 552 I HN 0.072 nan 8.210 nan 0.000 0.429 553 A N 6.140 128.811 122.820 -0.249 0.000 1.873 553 A HA -0.094 4.226 4.320 -0.000 0.000 0.218 553 A C 0.673 177.763 177.584 -0.822 0.000 1.193 553 A CA 1.857 53.530 52.037 -0.607 0.000 0.629 553 A CB -0.222 18.329 19.000 -0.748 0.000 0.826 553 A HN 0.572 nan 8.150 nan 0.000 0.447 554 F N 0.523 120.485 119.950 0.020 0.000 2.660 554 F HA 0.354 4.881 4.527 -0.000 0.000 0.352 554 F C -2.267 173.546 175.800 0.021 0.000 1.257 554 F CA -2.983 55.030 58.000 0.022 0.000 1.200 554 F CB 0.897 39.913 39.000 0.026 0.000 1.473 554 F HN 0.088 nan 8.300 nan 0.000 0.561 555 P HA 0.260 nan 4.420 nan 0.000 0.277 555 P C -0.483 176.877 177.300 0.100 0.000 1.271 555 P CA -0.499 62.658 63.100 0.095 0.000 0.795 555 P CB 1.479 33.212 31.700 0.054 0.000 1.101 556 K N 0.009 120.461 120.400 0.086 0.000 2.095 556 K HA 0.372 4.691 4.320 -0.000 0.000 0.252 556 K C 0.699 177.338 176.600 0.064 0.000 0.977 556 K CA -0.278 56.055 56.287 0.076 0.000 0.900 556 K CB 1.019 33.571 32.500 0.086 0.000 1.060 556 K HN 0.586 nan 8.250 nan 0.000 0.449 557 T N -2.769 111.817 114.554 0.053 0.000 2.770 557 T HA 0.040 4.389 4.350 -0.000 0.000 0.281 557 T C 1.490 176.221 174.700 0.051 0.000 0.981 557 T CA -0.045 62.082 62.100 0.045 0.000 0.955 557 T CB 0.246 69.135 68.868 0.033 0.000 1.060 557 T HN 0.622 nan 8.240 nan 0.000 0.531 558 T N -2.386 112.195 114.554 0.044 0.000 3.025 558 T HA 0.073 4.423 4.350 -0.000 0.000 0.270 558 T C 1.606 176.334 174.700 0.047 0.000 1.126 558 T CA 0.532 62.659 62.100 0.045 0.000 1.105 558 T CB -0.607 68.282 68.868 0.036 0.000 0.884 558 T HN 0.846 nan 8.240 nan 0.000 0.522 559 A N 0.410 123.255 122.820 0.043 0.000 2.462 559 A HA 0.789 5.109 4.320 -0.000 0.000 0.261 559 A C 1.597 179.214 177.584 0.055 0.000 1.323 559 A CA 0.333 52.394 52.037 0.041 0.000 0.913 559 A CB -0.938 18.078 19.000 0.026 0.000 1.028 559 A HN 1.437 nan 8.150 nan 0.000 0.511 560 A N -2.183 120.681 122.820 0.073 0.000 2.860 560 A HA 0.049 4.369 4.320 -0.000 0.000 0.267 560 A C 0.762 178.386 177.584 0.066 0.000 1.421 560 A CA 1.075 53.171 52.037 0.098 0.000 0.831 560 A CB -2.123 16.964 19.000 0.145 0.000 1.041 560 A HN 2.154 nan 8.150 nan 0.000 0.623 561 A N -1.279 121.568 122.820 0.045 0.000 2.325 561 A HA 0.623 4.943 4.320 -0.000 0.000 0.333 561 A C 0.302 177.901 177.584 0.026 0.000 1.155 561 A CA 0.210 52.261 52.037 0.022 0.000 0.814 561 A CB 1.102 20.106 19.000 0.006 0.000 1.206 561 A HN 1.811 nan 8.150 nan 0.000 0.482 562 C N 4.197 123.504 119.300 0.012 0.000 2.203 562 C HA 0.468 4.928 4.460 -0.000 0.000 0.325 562 C C 1.287 176.273 174.990 -0.006 0.000 1.156 562 C CA -0.543 58.485 59.018 0.017 0.000 1.597 562 C CB -1.643 26.099 27.740 0.003 0.000 2.148 562 C HN 0.833 nan 8.230 nan 0.000 0.472 563 L N 5.201 126.423 121.223 -0.002 0.000 2.201 563 L HA -0.045 4.294 4.340 -0.000 0.000 0.212 563 L C 2.311 179.144 176.870 -0.062 0.000 1.105 563 L CA 1.694 56.515 54.840 -0.031 0.000 0.775 563 L CB -0.719 41.325 42.059 -0.026 0.000 0.913 563 L HN 0.823 nan 8.230 nan 0.000 0.440 564 M N -1.245 118.334 119.600 -0.034 0.000 2.175 564 M HA -0.173 4.306 4.480 -0.000 0.000 0.264 564 M C 1.810 178.075 176.300 -0.058 0.000 1.063 564 M CA 2.101 57.376 55.300 -0.042 0.000 1.119 564 M CB -0.051 32.574 32.600 0.041 0.000 1.377 564 M HN 0.403 nan 8.290 nan 0.000 0.415 565 T N -3.767 110.749 114.554 -0.064 0.000 3.001 565 T HA 0.224 4.574 4.350 -0.000 0.000 0.251 565 T C 0.128 174.794 174.700 -0.057 0.000 1.040 565 T CA 0.187 62.243 62.100 -0.072 0.000 0.985 565 T CB 0.025 68.836 68.868 -0.095 0.000 1.011 565 T HN 0.602 nan 8.240 nan 0.000 0.509 566 E N 0.443 120.612 120.200 -0.051 0.000 2.386 566 E HA -0.087 4.263 4.350 -0.000 0.000 0.263 566 E C -0.223 176.345 176.600 -0.053 0.000 1.080 566 E CA 0.160 56.531 56.400 -0.049 0.000 0.761 566 E CB -1.951 27.724 29.700 -0.043 0.000 1.311 566 E HN 0.793 nan 8.360 nan 0.000 0.396 567 A N 1.233 124.025 122.820 -0.047 0.000 2.337 567 A HA 0.776 5.096 4.320 -0.000 0.000 0.329 567 A C -2.073 175.487 177.584 -0.040 0.000 1.146 567 A CA -1.308 50.702 52.037 -0.046 0.000 0.800 567 A CB 1.104 20.082 19.000 -0.036 0.000 1.220 567 A HN 0.031 nan 8.150 nan 0.000 0.472 568 P HA 0.419 nan 4.420 nan 0.000 0.277 568 P C -0.360 176.867 177.300 -0.121 0.000 1.271 568 P CA -0.144 62.918 63.100 -0.064 0.000 0.795 568 P CB 1.383 33.058 31.700 -0.042 0.000 1.101 569 S N -1.259 114.370 115.700 -0.117 0.000 2.618 569 S HA 0.588 5.058 4.470 -0.000 0.000 0.277 569 S C -0.433 174.094 174.600 -0.121 0.000 1.138 569 S CA -0.725 57.373 58.200 -0.170 0.000 0.844 569 S CB 0.325 63.487 63.200 -0.064 0.000 1.127 569 S HN 0.139 nan 8.310 nan 0.000 0.474 570 F N 1.529 121.489 119.950 0.017 0.000 2.595 570 F HA 0.477 5.004 4.527 0.000 0.000 0.359 570 F C 1.242 177.052 175.800 0.017 0.000 1.147 570 F CA 0.422 58.433 58.000 0.019 0.000 1.341 570 F CB 0.181 39.190 39.000 0.016 0.000 1.104 570 F HN 0.905 nan 8.300 nan 0.000 0.603 571 A N 2.650 125.607 122.820 0.227 0.000 2.279 571 A HA 0.355 4.675 4.320 -0.000 0.000 0.303 571 A C -0.171 177.472 177.584 0.099 0.000 1.108 571 A CA -0.793 51.319 52.037 0.126 0.000 0.830 571 A CB 0.278 19.338 19.000 0.099 0.000 1.106 571 A HN 0.827 nan 8.150 nan 0.000 0.493 572 N N 1.339 120.078 118.700 0.064 0.000 2.470 572 N HA 0.239 4.979 4.740 -0.000 0.000 0.268 572 N C -1.419 174.112 175.510 0.034 0.000 1.136 572 N CA -1.606 51.469 53.050 0.042 0.000 0.961 572 N CB 1.016 39.521 38.487 0.029 0.000 1.067 572 N HN 0.348 nan 8.380 nan 0.000 0.468 573 P HA -0.158 nan 4.420 nan 0.000 0.219 573 P C 0.743 178.051 177.300 0.013 0.000 1.146 573 P CA 1.328 64.439 63.100 0.018 0.000 0.808 573 P CB 0.176 31.880 31.700 0.007 0.000 0.779 574 T N -0.207 114.354 114.554 0.010 0.000 2.867 574 T HA -0.012 4.338 4.350 -0.000 0.000 0.268 574 T C 2.045 176.748 174.700 0.006 0.000 1.057 574 T CA 1.485 63.588 62.100 0.005 0.000 1.136 574 T CB -0.528 68.341 68.868 0.003 0.000 0.874 574 T HN 0.116 nan 8.240 nan 0.000 0.466 575 A N 1.279 124.106 122.820 0.012 0.000 1.897 575 A HA 0.121 4.441 4.320 -0.000 0.000 0.215 575 A C 2.251 179.844 177.584 0.015 0.000 1.181 575 A CA 0.897 52.942 52.037 0.013 0.000 0.620 575 A CB -0.714 18.298 19.000 0.020 0.000 0.821 575 A HN 0.451 nan 8.150 nan 0.000 0.443 576 L N -0.710 120.528 121.223 0.025 0.000 2.131 576 L HA -0.184 4.156 4.340 -0.000 0.000 0.210 576 L C 3.039 179.918 176.870 0.015 0.000 1.092 576 L CA 0.988 55.846 54.840 0.030 0.000 0.759 576 L CB -0.596 41.488 42.059 0.043 0.000 0.903 576 L HN 0.457 nan 8.230 nan 0.000 0.435 577 A N 0.954 123.780 122.820 0.009 0.000 1.898 577 A HA -0.203 4.117 4.320 -0.000 0.000 0.216 577 A C 2.172 179.751 177.584 -0.010 0.000 1.181 577 A CA 1.555 53.592 52.037 0.000 0.000 0.620 577 A CB -0.452 18.548 19.000 -0.001 0.000 0.819 577 A HN 0.617 nan 8.150 nan 0.000 0.442 578 E N -0.113 120.080 120.200 -0.011 0.000 2.418 578 E HA 0.003 4.353 4.350 -0.000 0.000 0.197 578 E C 1.158 177.738 176.600 -0.033 0.000 1.026 578 E CA 0.590 56.977 56.400 -0.022 0.000 0.862 578 E CB -0.261 29.427 29.700 -0.019 0.000 0.799 578 E HN 0.582 nan 8.360 nan 0.000 0.518 579 L N 0.857 122.062 121.223 -0.030 0.000 2.628 579 L HA 0.173 4.513 4.340 -0.000 0.000 0.229 579 L C 0.222 177.049 176.870 -0.072 0.000 1.137 579 L CA -0.247 54.559 54.840 -0.056 0.000 0.909 579 L CB 0.091 42.129 42.059 -0.036 0.000 1.137 579 L HN -0.012 nan 8.230 nan 0.000 0.470 580 S N 1.134 116.809 115.700 -0.042 0.000 3.581 580 S HA -0.181 4.289 4.470 -0.000 0.000 0.354 580 S C 0.133 174.731 174.600 -0.004 0.000 1.059 580 S CA 1.182 59.364 58.200 -0.030 0.000 1.060 580 S CB -1.881 61.289 63.200 -0.050 0.000 0.908 580 S HN 0.615 nan 8.310 nan 0.000 0.475 581 I N -2.151 118.432 120.570 0.021 0.000 3.145 581 I HA 0.839 5.009 4.170 -0.000 0.000 0.313 581 I C -0.594 175.561 176.117 0.063 0.000 1.122 581 I CA -1.234 60.108 61.300 0.069 0.000 0.987 581 I CB 2.091 40.169 38.000 0.129 0.000 1.236 581 I HN 0.189 nan 8.210 nan 0.000 0.453 582 Q N 1.614 121.459 119.800 0.074 0.000 2.482 582 Q HA 0.615 4.955 4.340 -0.000 0.000 0.286 582 Q C -1.860 174.180 176.000 0.068 0.000 1.007 582 Q CA -1.075 54.764 55.803 0.060 0.000 0.801 582 Q CB 2.398 31.161 28.738 0.042 0.000 1.455 582 Q HN 0.550 nan 8.270 nan 0.000 0.398 583 V N 1.830 121.782 119.914 0.064 0.000 2.555 583 V HA 0.221 4.341 4.120 -0.000 0.000 0.286 583 V C 0.640 176.764 176.094 0.050 0.000 1.044 583 V CA -0.515 61.826 62.300 0.067 0.000 1.026 583 V CB 0.970 32.840 31.823 0.079 0.000 0.981 583 V HN 0.622 nan 8.190 nan 0.000 0.480 584 V N 2.902 122.844 119.914 0.046 0.000 2.637 584 V HA 0.352 4.472 4.120 -0.000 0.000 0.296 584 V C 0.548 176.660 176.094 0.030 0.000 1.046 584 V CA -0.719 61.602 62.300 0.034 0.000 1.066 584 V CB 0.473 32.314 31.823 0.030 0.000 0.968 584 V HN 0.899 nan 8.190 nan 0.000 0.483 585 K N 0.000 120.413 120.400 0.022 0.000 2.780 585 K HA 0.000 4.320 4.320 -0.000 0.000 0.191 585 K CA 0.000 56.297 56.287 0.017 0.000 0.838 585 K CB 0.000 32.507 32.500 0.012 0.000 1.064 585 K HN 0.000 nan 8.250 nan 0.000 0.543