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 3h7l_1_C DATA FIRST_RESID 1 DATA SEQUENCE SLLLTNHIGY ERLGPKKAII QTEQPHLSSY TAQLICATSE QTVATFAVEE DATA SEQUENCE QGKVANWHQG YFYLIDFSSF TDSGDYFLQV EDSRSSTFTV GEHILLNQTL DATA SEQUENCE SDVIHYFKSQ RCGGVFDQQD RQVPVLNANQ TADVHGGWYD ASGDVSKYLS DATA SEQUENCE HLSYANYLNP QQTPMVVWNI LKGLSLLEGS EDIAAFTRTR LIEEALFGAD DATA SEQUENCE FLVRMQNEKG FFYMTVFDKW SKDTAQREIC AYETQLGHKF DDYQAGFRQG DATA SEQUENCE GGVAIAALAA ASRLGVHGEY DQQKYRNAAE NGYWHLKEHN TQYLNDGEEN DATA SEQUENCE IIDEYCALLA SVELFKATKE TRYLEESRLW AQRLVARQMS DEQIQHFWSA DATA SEQUENCE NQDGSRPYFH AAEAGLPTIA LCEYLAIEDD SVQTESVKCI VNRACEFEIK DATA SEQUENCE ISNKVTNPFG YPRQYVKGVN ESKRDAFFVA HNNESGYWWQ GENARLGSLA DATA SEQUENCE TMAYLAQPHI ASQEIQQQLS VFAQDALNWI VGLNPYDMCM LDGHGRNNPD DATA SEQUENCE YLPQYGFFNA KGGVCNGITG GFEDEEDIAF NPPAQKDDML QNWRWGEQWI DATA SEQUENCE PHGAWYLLAI MSQAQHISQL ATSKN 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 S HA 0.000 nan 4.470 nan 0.000 0.327 1 S C 0.000 174.603 174.600 0.004 0.000 1.055 1 S CA 0.000 58.193 58.200 -0.011 0.000 1.107 1 S CB 0.000 63.180 63.200 -0.033 0.000 0.593 2 L N 4.151 125.391 121.223 0.029 0.000 2.362 2 L HA 0.641 4.981 4.340 -0.001 0.000 0.275 2 L C -0.791 176.129 176.870 0.083 0.000 0.998 2 L CA -1.056 53.817 54.840 0.054 0.000 0.820 2 L CB 1.821 43.920 42.059 0.067 0.000 1.270 2 L HN 0.542 nan 8.230 nan 0.000 0.415 3 L N 5.415 126.689 121.223 0.085 0.000 2.287 3 L HA 0.429 4.769 4.340 -0.001 0.000 0.280 3 L C -0.523 176.438 176.870 0.152 0.000 1.055 3 L CA -0.138 54.768 54.840 0.109 0.000 0.863 3 L CB 0.389 42.504 42.059 0.095 0.000 1.245 3 L HN 0.401 nan 8.230 nan 0.000 0.432 4 L N 4.914 126.246 121.223 0.181 0.000 2.331 4 L HA 0.579 4.918 4.340 -0.001 0.000 0.278 4 L C 0.642 177.653 176.870 0.234 0.000 1.106 4 L CA -0.166 54.809 54.840 0.226 0.000 0.824 4 L CB 0.975 43.206 42.059 0.285 0.000 1.142 4 L HN 0.716 nan 8.230 nan 0.000 0.443 5 T N -1.437 113.278 114.554 0.269 0.000 2.841 5 T HA 0.253 4.602 4.350 -0.001 0.000 0.296 5 T C -0.392 174.456 174.700 0.247 0.000 1.166 5 T CA -0.999 61.258 62.100 0.262 0.000 1.007 5 T CB 1.552 70.549 68.868 0.215 0.000 1.253 5 T HN 0.427 nan 8.240 nan 0.000 0.511 6 N N 0.379 119.122 118.700 0.071 0.000 2.411 6 N HA -0.025 4.715 4.740 -0.001 0.000 0.265 6 N C 0.977 176.556 175.510 0.115 0.000 1.266 6 N CA 0.459 53.451 53.050 -0.097 0.000 0.889 6 N CB 0.116 38.217 38.487 -0.642 0.000 1.069 6 N HN 0.731 nan 8.380 nan 0.000 0.476 7 H N 3.200 122.286 119.070 0.027 0.000 2.491 7 H HA -0.017 4.538 4.556 -0.001 0.000 0.290 7 H C 1.223 176.631 175.328 0.133 0.000 1.050 7 H CA 0.784 56.894 56.048 0.102 0.000 1.309 7 H CB 0.839 30.646 29.762 0.074 0.000 1.392 7 H HN 0.551 nan 8.280 nan 0.000 0.554 8 I N -0.818 119.872 120.570 0.200 0.000 2.726 8 I HA 0.235 4.405 4.170 -0.001 0.000 0.243 8 I C 1.175 177.400 176.117 0.179 0.000 1.082 8 I CA 0.568 61.973 61.300 0.174 0.000 1.447 8 I CB 0.560 38.628 38.000 0.113 0.000 1.250 8 I HN 0.203 nan 8.210 nan 0.000 0.453 9 G N -0.868 107.951 108.800 0.031 0.000 2.315 9 G HA2 0.401 4.360 3.960 -0.001 0.000 0.294 9 G HA3 0.401 4.360 3.960 -0.001 0.000 0.294 9 G C -2.173 172.613 174.900 -0.191 0.000 1.300 9 G CA -0.643 44.496 45.100 0.066 0.000 0.843 9 G HN -0.027 nan 8.290 nan 0.000 0.527 10 Y N 0.013 120.439 120.300 0.209 0.000 2.536 10 Y HA 0.563 5.112 4.550 -0.001 0.000 0.347 10 Y C 0.235 176.208 175.900 0.121 0.000 1.000 10 Y CA -1.011 57.158 58.100 0.115 0.000 1.051 10 Y CB 1.896 40.376 38.460 0.032 0.000 1.259 10 Y HN 0.289 nan 8.280 nan 0.000 0.468 11 E N 2.104 122.443 120.200 0.231 0.000 2.376 11 E HA 0.043 4.393 4.350 -0.001 0.000 0.266 11 E C 0.931 177.607 176.600 0.126 0.000 1.009 11 E CA -0.007 56.478 56.400 0.141 0.000 0.902 11 E CB 0.906 30.670 29.700 0.106 0.000 0.972 11 E HN 0.683 nan 8.360 nan 0.000 0.439 12 R N 2.749 123.305 120.500 0.094 0.000 2.113 12 R HA -0.138 4.202 4.340 -0.001 0.000 0.244 12 R C 0.773 177.088 176.300 0.025 0.000 1.142 12 R CA 1.251 57.393 56.100 0.069 0.000 0.953 12 R CB 0.053 30.372 30.300 0.032 0.000 0.860 12 R HN 0.405 nan 8.270 nan 0.000 0.438 13 L N 0.769 121.998 121.223 0.009 0.000 2.956 13 L HA 0.399 4.739 4.340 -0.001 0.000 0.232 13 L C 0.131 177.018 176.870 0.029 0.000 1.291 13 L CA -0.620 54.222 54.840 0.003 0.000 1.122 13 L CB 1.271 43.321 42.059 -0.016 0.000 1.461 13 L HN 0.248 nan 8.230 nan 0.000 0.470 14 G N -0.170 108.652 108.800 0.037 0.000 2.687 14 G HA2 0.554 4.513 3.960 -0.001 0.000 0.291 14 G HA3 0.554 4.513 3.960 -0.001 0.000 0.291 14 G C -3.152 171.750 174.900 0.003 0.000 1.420 14 G CA -1.216 43.922 45.100 0.063 0.000 0.796 14 G HN -0.143 nan 8.290 nan 0.000 0.485 15 P HA 0.244 nan 4.420 nan 0.000 0.265 15 P C -0.906 176.289 177.300 -0.174 0.000 1.193 15 P CA 0.327 63.390 63.100 -0.061 0.000 0.765 15 P CB 0.458 32.166 31.700 0.013 0.000 0.823 16 K N 2.719 122.833 120.400 -0.476 0.000 2.578 16 K HA 0.435 4.755 4.320 -0.001 0.000 0.250 16 K C -0.588 175.409 176.600 -1.005 0.000 0.955 16 K CA -0.797 54.804 56.287 -1.143 0.000 0.825 16 K CB 2.437 33.702 32.500 -2.058 0.000 1.151 16 K HN 0.285 nan 8.250 nan 0.000 0.432 17 K N 2.117 122.192 120.400 -0.543 0.000 2.427 17 K HA 0.716 5.035 4.320 -0.001 0.000 0.252 17 K C -1.627 175.052 176.600 0.131 0.000 0.931 17 K CA -0.574 55.652 56.287 -0.102 0.000 0.793 17 K CB 1.919 34.422 32.500 0.006 0.000 1.211 17 K HN 0.696 nan 8.250 nan 0.000 0.426 18 A N 4.184 127.109 122.820 0.176 0.000 2.423 18 A HA 0.778 5.098 4.320 -0.001 0.000 0.304 18 A C -1.183 176.457 177.584 0.093 0.000 1.104 18 A CA -0.900 51.230 52.037 0.155 0.000 0.757 18 A CB 0.919 19.987 19.000 0.114 0.000 1.313 18 A HN 0.698 nan 8.150 nan 0.000 0.423 19 I N 1.398 122.023 120.570 0.091 0.000 2.478 19 I HA 0.313 4.483 4.170 -0.001 0.000 0.287 19 I C -0.858 175.350 176.117 0.151 0.000 1.042 19 I CA -0.213 61.125 61.300 0.063 0.000 1.067 19 I CB 1.882 39.782 38.000 -0.167 0.000 1.233 19 I HN 0.522 nan 8.210 nan 0.000 0.431 20 I N 5.810 126.494 120.570 0.190 0.000 2.441 20 I HA 0.216 4.385 4.170 -0.001 0.000 0.287 20 I C 0.046 176.332 176.117 0.281 0.000 1.049 20 I CA 0.018 61.430 61.300 0.186 0.000 1.381 20 I CB 0.950 38.998 38.000 0.079 0.000 1.409 20 I HN 0.584 nan 8.210 nan 0.000 0.523 21 Q N 5.888 125.804 119.800 0.192 0.000 2.321 21 Q HA 0.594 4.933 4.340 -0.001 0.000 0.270 21 Q C -1.045 174.970 176.000 0.024 0.000 1.032 21 Q CA -0.451 55.412 55.803 0.101 0.000 0.784 21 Q CB 2.242 31.110 28.738 0.216 0.000 1.264 21 Q HN 0.717 nan 8.270 nan 0.000 0.448 22 T N 1.298 115.844 114.554 -0.014 0.000 2.830 22 T HA 0.202 4.551 4.350 -0.001 0.000 0.322 22 T C -0.394 174.346 174.700 0.066 0.000 1.501 22 T CA -0.419 61.694 62.100 0.021 0.000 1.036 22 T CB 1.632 70.514 68.868 0.022 0.000 1.379 22 T HN 0.729 nan 8.240 nan 0.000 0.493 23 E N 0.617 120.858 120.200 0.069 0.000 2.478 23 E HA 0.059 4.409 4.350 -0.001 0.000 0.194 23 E C 0.084 176.782 176.600 0.163 0.000 1.045 23 E CA -0.059 56.426 56.400 0.142 0.000 0.868 23 E CB 0.285 30.029 29.700 0.073 0.000 0.885 23 E HN 0.384 nan 8.360 nan 0.000 0.505 24 Q N 1.437 121.268 119.800 0.051 0.000 2.289 24 Q HA 0.019 4.359 4.340 -0.001 0.000 0.273 24 Q C -1.547 174.259 176.000 -0.323 0.000 1.029 24 Q CA -1.512 54.244 55.803 -0.079 0.000 0.896 24 Q CB 0.652 29.345 28.738 -0.074 0.000 1.182 24 Q HN 0.094 nan 8.270 nan 0.000 0.385 25 P HA -0.042 nan 4.420 nan 0.000 0.231 25 P C -0.220 176.575 177.300 -0.842 0.000 1.168 25 P CA 1.098 63.404 63.100 -1.324 0.000 0.779 25 P CB 0.708 31.801 31.700 -1.012 0.000 0.844 26 H N -1.344 117.678 119.070 -0.081 0.000 2.985 26 H HA 0.445 5.001 4.556 -0.001 0.000 0.360 26 H C 0.002 175.304 175.328 -0.043 0.000 1.221 26 H CA -0.795 55.319 56.048 0.110 0.000 1.121 26 H CB 1.297 31.128 29.762 0.115 0.000 1.854 26 H HN -0.146 nan 8.280 nan 0.000 0.551 27 L N 0.307 121.534 121.223 0.007 0.000 2.331 27 L HA 0.274 4.613 4.340 -0.001 0.000 0.268 27 L C 1.289 178.066 176.870 -0.155 0.000 1.015 27 L CA -0.531 54.087 54.840 -0.371 0.000 0.807 27 L CB 1.535 43.013 42.059 -0.969 0.000 1.293 27 L HN 0.662 nan 8.230 nan 0.000 0.451 28 S N -1.774 113.820 115.700 -0.176 0.000 2.503 28 S HA 0.050 4.520 4.470 -0.001 0.000 0.217 28 S C 0.605 175.175 174.600 -0.051 0.000 0.999 28 S CA -0.157 58.008 58.200 -0.058 0.000 0.914 28 S CB 0.291 63.457 63.200 -0.057 0.000 0.782 28 S HN 0.523 nan 8.310 nan 0.000 0.520 29 S N -0.507 115.079 115.700 -0.191 0.000 2.541 29 S HA 0.638 5.107 4.470 -0.001 0.000 0.280 29 S C -1.466 172.949 174.600 -0.307 0.000 1.112 29 S CA -0.684 57.448 58.200 -0.114 0.000 0.925 29 S CB 1.083 64.231 63.200 -0.088 0.000 1.067 29 S HN 0.290 nan 8.310 nan 0.000 0.479 30 Y N 2.056 122.345 120.300 -0.018 0.000 2.720 30 Y HA 0.338 4.888 4.550 -0.001 0.000 0.268 30 Y C 0.485 176.394 175.900 0.016 0.000 1.142 30 Y CA -0.315 57.787 58.100 0.004 0.000 1.193 30 Y CB 1.060 39.535 38.460 0.025 0.000 1.176 30 Y HN 0.490 nan 8.280 nan 0.000 0.542 31 T N 0.862 115.453 114.554 0.061 0.000 2.824 31 T HA 0.758 5.107 4.350 -0.001 0.000 0.282 31 T C -0.394 174.314 174.700 0.013 0.000 0.993 31 T CA -0.694 61.435 62.100 0.048 0.000 0.967 31 T CB 1.565 70.448 68.868 0.025 0.000 0.960 31 T HN 0.190 nan 8.240 nan 0.000 0.441 32 A N 3.583 126.429 122.820 0.043 0.000 2.324 32 A HA 0.716 5.035 4.320 -0.001 0.000 0.330 32 A C -0.203 177.392 177.584 0.018 0.000 1.165 32 A CA -0.879 51.175 52.037 0.028 0.000 0.813 32 A CB 0.861 19.892 19.000 0.053 0.000 1.197 32 A HN 0.717 nan 8.150 nan 0.000 0.484 33 Q N 1.971 121.750 119.800 -0.035 0.000 2.293 33 Q HA 0.556 4.896 4.340 -0.001 0.000 0.261 33 Q C -1.513 174.395 176.000 -0.154 0.000 0.960 33 Q CA -0.787 54.964 55.803 -0.086 0.000 0.882 33 Q CB 1.925 30.600 28.738 -0.104 0.000 1.275 33 Q HN 0.520 nan 8.270 nan 0.000 0.445 34 L N 3.686 124.802 121.223 -0.177 0.000 2.265 34 L HA 0.470 4.810 4.340 -0.001 0.000 0.288 34 L C -1.097 175.561 176.870 -0.354 0.000 1.058 34 L CA -0.211 54.429 54.840 -0.334 0.000 0.809 34 L CB 0.570 42.369 42.059 -0.434 0.000 1.179 34 L HN 0.667 nan 8.230 nan 0.000 0.429 35 I N 4.824 125.092 120.570 -0.503 0.000 2.433 35 I HA 0.245 4.415 4.170 -0.001 0.000 0.292 35 I C -0.239 175.663 176.117 -0.357 0.000 1.001 35 I CA -0.705 60.279 61.300 -0.525 0.000 1.119 35 I CB 1.689 39.114 38.000 -0.959 0.000 1.289 35 I HN 0.593 nan 8.210 nan 0.000 0.438 36 C N 5.308 124.560 119.300 -0.080 0.000 2.634 36 C HA 0.278 4.738 4.460 -0.001 0.000 0.418 36 C C 1.805 176.751 174.990 -0.073 0.000 1.373 36 C CA 0.025 59.016 59.018 -0.045 0.000 1.756 36 C CB -0.085 27.664 27.740 0.014 0.000 2.589 36 C HN 0.977 nan 8.230 nan 0.000 0.602 37 A N 4.824 127.588 122.820 -0.093 0.000 1.969 37 A HA -0.009 4.311 4.320 -0.001 0.000 0.218 37 A C 2.068 179.679 177.584 0.045 0.000 1.169 37 A CA 2.214 54.301 52.037 0.083 0.000 0.635 37 A CB -0.683 18.327 19.000 0.016 0.000 0.810 37 A HN 0.923 nan 8.150 nan 0.000 0.445 38 T N 0.413 114.953 114.554 -0.023 0.000 2.643 38 T HA -0.103 4.246 4.350 -0.001 0.000 0.256 38 T C 2.341 177.049 174.700 0.013 0.000 1.061 38 T CA 1.994 64.088 62.100 -0.011 0.000 1.163 38 T CB -0.556 68.294 68.868 -0.030 0.000 0.865 38 T HN 0.712 nan 8.240 nan 0.000 0.407 39 S N 0.962 116.668 115.700 0.009 0.000 2.489 39 S HA 0.002 4.472 4.470 -0.001 0.000 0.228 39 S C 0.723 175.341 174.600 0.030 0.000 0.995 39 S CA 0.710 58.921 58.200 0.018 0.000 0.934 39 S CB -0.443 62.767 63.200 0.017 0.000 0.771 39 S HN 0.632 nan 8.310 nan 0.000 0.522 40 E N -0.044 120.183 120.200 0.045 0.000 3.070 40 E HA -0.150 4.200 4.350 -0.001 0.000 0.285 40 E C -0.930 175.679 176.600 0.016 0.000 0.972 40 E CA 0.549 56.991 56.400 0.069 0.000 0.915 40 E CB -1.408 28.357 29.700 0.109 0.000 1.466 40 E HN 0.582 nan 8.360 nan 0.000 0.432 41 Q N 0.609 120.408 119.800 -0.001 0.000 2.256 41 Q HA 0.219 4.559 4.340 -0.001 0.000 0.254 41 Q C 0.073 176.049 176.000 -0.040 0.000 0.916 41 Q CA 0.104 55.902 55.803 -0.009 0.000 0.932 41 Q CB 1.322 30.067 28.738 0.013 0.000 1.207 41 Q HN -0.013 nan 8.270 nan 0.000 0.426 42 T N 1.864 116.384 114.554 -0.057 0.000 2.853 42 T HA 0.125 4.475 4.350 -0.001 0.000 0.298 42 T C 1.425 176.097 174.700 -0.045 0.000 0.978 42 T CA -0.128 61.920 62.100 -0.087 0.000 1.152 42 T CB 0.321 69.138 68.868 -0.086 0.000 0.914 42 T HN 0.507 nan 8.240 nan 0.000 0.539 43 V N 0.506 120.390 119.914 -0.051 0.000 3.565 43 V HA 0.733 4.852 4.120 -0.001 0.000 0.260 43 V C 0.602 176.692 176.094 -0.007 0.000 1.231 43 V CA 0.366 62.683 62.300 0.028 0.000 1.100 43 V CB -0.707 31.213 31.823 0.161 0.000 0.807 43 V HN 0.976 nan 8.190 nan 0.000 0.454 44 A N 0.372 123.111 122.820 -0.135 0.000 2.586 44 A HA 0.758 5.078 4.320 -0.001 0.000 0.291 44 A C -0.352 177.022 177.584 -0.350 0.000 1.062 44 A CA 0.160 52.054 52.037 -0.238 0.000 0.666 44 A CB 1.160 20.033 19.000 -0.212 0.000 1.281 44 A HN 0.735 nan 8.150 nan 0.000 0.421 45 T N -1.449 112.767 114.554 -0.564 0.000 2.907 45 T HA 0.875 5.225 4.350 -0.001 0.000 0.292 45 T C -0.905 173.325 174.700 -0.784 0.000 1.043 45 T CA -0.547 61.285 62.100 -0.446 0.000 1.003 45 T CB 1.145 69.883 68.868 -0.216 0.000 1.084 45 T HN 0.737 nan 8.240 nan 0.000 0.483 46 F N 0.030 119.961 119.950 -0.031 0.000 2.613 46 F HA 0.728 5.254 4.527 -0.001 0.000 0.310 46 F C 0.366 176.183 175.800 0.028 0.000 1.085 46 F CA -1.250 56.756 58.000 0.009 0.000 0.945 46 F CB 1.874 40.886 39.000 0.019 0.000 1.298 46 F HN 0.982 nan 8.300 nan 0.000 0.455 47 A N 1.097 124.061 122.820 0.241 0.000 2.371 47 A HA 0.650 4.970 4.320 -0.001 0.000 0.257 47 A C -0.859 176.846 177.584 0.202 0.000 1.089 47 A CA -0.424 51.724 52.037 0.185 0.000 0.794 47 A CB 0.387 19.479 19.000 0.153 0.000 1.029 47 A HN 0.540 nan 8.150 nan 0.000 0.488 48 V N 2.837 122.883 119.914 0.220 0.000 2.347 48 V HA 0.288 4.408 4.120 -0.001 0.000 0.280 48 V C -0.143 176.160 176.094 0.348 0.000 1.021 48 V CA -0.362 62.084 62.300 0.244 0.000 0.847 48 V CB 0.980 32.898 31.823 0.157 0.000 0.990 48 V HN 0.968 nan 8.190 nan 0.000 0.444 49 E N 3.584 123.953 120.200 0.282 0.000 2.166 49 E HA 0.387 4.737 4.350 -0.001 0.000 0.275 49 E C -0.633 176.134 176.600 0.279 0.000 0.941 49 E CA -0.613 55.937 56.400 0.250 0.000 0.784 49 E CB 1.874 31.660 29.700 0.145 0.000 1.115 49 E HN 0.642 nan 8.360 nan 0.000 0.399 50 E N 2.365 122.736 120.200 0.285 0.000 2.384 50 E HA -0.040 4.309 4.350 -0.001 0.000 0.266 50 E C 0.399 176.997 176.600 -0.003 0.000 1.012 50 E CA 0.115 56.585 56.400 0.117 0.000 0.901 50 E CB 0.764 30.566 29.700 0.169 0.000 0.967 50 E HN 0.448 nan 8.360 nan 0.000 0.435 51 Q N 1.411 121.143 119.800 -0.112 0.000 2.353 51 Q HA 0.166 4.506 4.340 -0.001 0.000 0.240 51 Q C 0.977 176.965 176.000 -0.020 0.000 0.868 51 Q CA 0.630 56.412 55.803 -0.035 0.000 0.944 51 Q CB 1.346 30.080 28.738 -0.008 0.000 1.104 51 Q HN 0.833 nan 8.270 nan 0.000 0.531 52 G N 1.953 110.726 108.800 -0.045 0.000 2.527 52 G HA2 -0.227 3.733 3.960 -0.001 0.000 0.227 52 G HA3 -0.227 3.733 3.960 -0.001 0.000 0.227 52 G C -0.606 174.315 174.900 0.035 0.000 1.291 52 G CA -0.509 44.621 45.100 0.051 0.000 0.904 52 G HN 0.083 nan 8.290 nan 0.000 0.577 53 K N -0.567 119.801 120.400 -0.054 0.000 2.087 53 K HA 0.611 4.930 4.320 -0.001 0.000 0.255 53 K C -0.413 176.164 176.600 -0.039 0.000 0.988 53 K CA -0.595 55.638 56.287 -0.089 0.000 0.915 53 K CB 2.151 34.514 32.500 -0.229 0.000 1.043 53 K HN 0.427 nan 8.250 nan 0.000 0.457 54 V N 2.180 122.051 119.914 -0.072 0.000 2.409 54 V HA 0.279 4.399 4.120 -0.001 0.000 0.291 54 V C 0.639 176.420 176.094 -0.521 0.000 1.020 54 V CA 0.075 62.107 62.300 -0.448 0.000 0.848 54 V CB 0.465 31.643 31.823 -1.074 0.000 0.990 54 V HN 1.116 nan 8.190 nan 0.000 0.430 55 A N 5.313 127.938 122.820 -0.325 0.000 5.318 55 A HA -0.374 3.945 4.320 -0.001 0.000 0.329 55 A C 1.079 178.640 177.584 -0.038 0.000 1.789 55 A CA 2.359 54.308 52.037 -0.147 0.000 0.711 55 A CB -1.402 17.504 19.000 -0.156 0.000 1.398 55 A HN 0.949 nan 8.150 nan 0.000 0.392 56 N N -1.635 117.128 118.700 0.106 0.000 2.351 56 N HA 0.258 4.998 4.740 -0.001 0.000 0.254 56 N C -0.868 174.837 175.510 0.325 0.000 1.241 56 N CA -0.414 52.738 53.050 0.170 0.000 0.883 56 N CB 0.156 38.733 38.487 0.149 0.000 1.202 56 N HN 0.542 nan 8.380 nan 0.000 0.512 57 W N 1.838 123.159 121.300 0.034 0.000 2.308 57 W HA 0.066 4.725 4.660 -0.001 0.000 0.324 57 W C 1.715 178.245 176.519 0.017 0.000 1.387 57 W CA -0.577 56.788 57.345 0.034 0.000 1.250 57 W CB -0.106 29.359 29.460 0.009 0.000 1.257 57 W HN 0.274 nan 8.180 nan 0.000 0.554 58 H N 0.719 119.902 119.070 0.188 0.000 2.556 58 H HA -0.010 4.545 4.556 -0.001 0.000 0.268 58 H C 0.812 176.160 175.328 0.033 0.000 0.996 58 H CA 0.800 56.893 56.048 0.074 0.000 1.157 58 H CB -0.079 29.703 29.762 0.032 0.000 1.355 58 H HN 0.388 nan 8.280 nan 0.000 0.597 59 Q N 0.890 120.561 119.800 -0.214 0.000 2.378 59 Q HA 0.189 4.529 4.340 -0.001 0.000 0.205 59 Q C 1.345 177.219 176.000 -0.210 0.000 0.954 59 Q CA 0.997 56.686 55.803 -0.190 0.000 0.901 59 Q CB 0.495 29.167 28.738 -0.110 0.000 0.981 59 Q HN 0.787 nan 8.270 nan 0.000 0.483 60 G N -1.170 107.481 108.800 -0.248 0.000 2.964 60 G HA2 -0.241 3.719 3.960 -0.001 0.000 0.229 60 G HA3 -0.241 3.719 3.960 -0.001 0.000 0.229 60 G C -1.055 173.399 174.900 -0.744 0.000 1.395 60 G CA -0.467 44.394 45.100 -0.399 0.000 1.060 60 G HN 0.125 nan 8.290 nan 0.000 0.568 61 Y N 0.400 120.369 120.300 -0.553 0.000 2.409 61 Y HA 0.757 5.307 4.550 -0.001 0.000 0.339 61 Y C -0.077 175.375 175.900 -0.747 0.000 1.033 61 Y CA -0.605 57.182 58.100 -0.521 0.000 1.094 61 Y CB 1.673 39.983 38.460 -0.251 0.000 1.210 61 Y HN 0.415 nan 8.280 nan 0.000 0.456 62 F N 1.680 121.569 119.950 -0.102 0.000 2.532 62 F HA 0.598 5.125 4.527 -0.001 0.000 0.321 62 F C -1.164 174.443 175.800 -0.322 0.000 1.089 62 F CA -1.382 56.569 58.000 -0.083 0.000 0.926 62 F CB 1.382 40.342 39.000 -0.068 0.000 1.168 62 F HN 0.278 nan 8.300 nan 0.000 0.459 63 Y N 2.326 122.735 120.300 0.180 0.000 2.421 63 Y HA 0.579 5.129 4.550 -0.001 0.000 0.339 63 Y C -1.006 174.941 175.900 0.078 0.000 0.996 63 Y CA -0.992 57.180 58.100 0.120 0.000 1.046 63 Y CB 1.965 40.472 38.460 0.079 0.000 1.226 63 Y HN 0.456 nan 8.280 nan 0.000 0.445 64 L N 4.782 126.123 121.223 0.197 0.000 2.295 64 L HA 0.673 5.013 4.340 -0.001 0.000 0.285 64 L C -1.135 175.812 176.870 0.128 0.000 1.035 64 L CA -0.310 54.596 54.840 0.110 0.000 0.806 64 L CB 0.634 42.730 42.059 0.062 0.000 1.214 64 L HN 0.544 nan 8.230 nan 0.000 0.426 65 I N 4.239 124.870 120.570 0.102 0.000 2.389 65 I HA 0.316 4.486 4.170 -0.001 0.000 0.288 65 I C -0.953 175.214 176.117 0.083 0.000 0.999 65 I CA -0.563 60.798 61.300 0.103 0.000 1.129 65 I CB 1.641 39.688 38.000 0.078 0.000 1.288 65 I HN 0.488 nan 8.210 nan 0.000 0.444 66 D N 7.150 127.584 120.400 0.055 0.000 2.427 66 D HA 0.221 4.860 4.640 -0.001 0.000 0.226 66 D C -0.246 175.971 176.300 -0.138 0.000 1.076 66 D CA -0.489 53.493 54.000 -0.030 0.000 0.849 66 D CB 0.757 41.560 40.800 0.005 0.000 1.052 66 D HN 0.427 nan 8.370 nan 0.000 0.515 67 F N 1.424 121.040 119.950 -0.557 0.000 2.791 67 F HA 0.335 4.862 4.527 -0.001 0.000 0.308 67 F C 1.189 176.726 175.800 -0.438 0.000 1.138 67 F CA -0.706 56.696 58.000 -0.996 0.000 1.294 67 F CB -0.024 37.986 39.000 -1.650 0.000 0.975 67 F HN 0.066 nan 8.300 nan 0.000 0.512 68 S N 0.446 115.902 115.700 -0.407 0.000 2.400 68 S HA -0.263 4.207 4.470 -0.001 0.000 0.232 68 S C 2.205 176.771 174.600 -0.056 0.000 1.025 68 S CA 1.736 59.775 58.200 -0.268 0.000 0.993 68 S CB -0.529 62.574 63.200 -0.162 0.000 0.808 68 S HN 0.716 nan 8.310 nan 0.000 0.478 69 S N 0.773 116.519 115.700 0.075 0.000 2.474 69 S HA 0.017 4.487 4.470 -0.001 0.000 0.235 69 S C 0.385 175.116 174.600 0.217 0.000 0.997 69 S CA 0.010 58.305 58.200 0.159 0.000 0.949 69 S CB -0.608 62.729 63.200 0.227 0.000 0.766 69 S HN 0.360 nan 8.310 nan 0.000 0.517 70 F N 3.857 123.885 119.950 0.130 0.000 2.467 70 F HA 0.420 4.947 4.527 -0.001 0.000 0.362 70 F C 1.089 176.924 175.800 0.059 0.000 1.090 70 F CA 0.403 58.491 58.000 0.146 0.000 1.202 70 F CB 1.167 40.305 39.000 0.229 0.000 1.113 70 F HN 0.180 nan 8.300 nan 0.000 0.541 71 T N 0.348 114.584 114.554 -0.530 0.000 3.393 71 T HA 0.277 4.627 4.350 -0.001 0.000 0.298 71 T C -0.674 173.796 174.700 -0.382 0.000 1.004 71 T CA -0.626 61.285 62.100 -0.314 0.000 0.956 71 T CB -0.491 68.288 68.868 -0.147 0.000 1.182 71 T HN 0.340 nan 8.240 nan 0.000 0.497 72 D N 1.953 121.903 120.400 -0.749 0.000 2.193 72 D HA 0.476 5.116 4.640 -0.001 0.000 0.244 72 D C -0.148 176.216 176.300 0.107 0.000 1.064 72 D CA -0.197 53.623 54.000 -0.300 0.000 0.845 72 D CB 2.004 42.635 40.800 -0.282 0.000 1.148 72 D HN 0.152 nan 8.370 nan 0.000 0.464 73 S N 0.378 116.176 115.700 0.163 0.000 2.576 73 S HA 0.663 5.132 4.470 -0.001 0.000 0.276 73 S C 0.611 175.393 174.600 0.302 0.000 1.339 73 S CA 0.025 58.377 58.200 0.253 0.000 1.039 73 S CB 1.131 64.414 63.200 0.139 0.000 0.902 73 S HN 0.714 nan 8.310 nan 0.000 0.516 74 G N 2.166 111.121 108.800 0.258 0.000 2.362 74 G HA2 0.221 4.180 3.960 -0.001 0.000 0.288 74 G HA3 0.221 4.180 3.960 -0.001 0.000 0.288 74 G C -2.480 172.318 174.900 -0.170 0.000 1.305 74 G CA -0.948 44.128 45.100 -0.040 0.000 0.910 74 G HN 0.540 nan 8.290 nan 0.000 0.518 75 D N -0.004 120.142 120.400 -0.423 0.000 2.185 75 D HA 0.732 5.372 4.640 -0.001 0.000 0.247 75 D C -0.814 175.065 176.300 -0.701 0.000 1.027 75 D CA 0.297 54.097 54.000 -0.334 0.000 0.861 75 D CB 1.439 42.150 40.800 -0.148 0.000 1.202 75 D HN 0.364 nan 8.370 nan 0.000 0.453 76 Y N 0.075 120.205 120.300 -0.284 0.000 2.615 76 Y HA 0.544 5.094 4.550 -0.001 0.000 0.341 76 Y C -0.390 175.079 175.900 -0.719 0.000 1.089 76 Y CA -1.364 56.464 58.100 -0.453 0.000 1.049 76 Y CB 1.447 39.636 38.460 -0.451 0.000 1.296 76 Y HN 0.339 nan 8.280 nan 0.000 0.470 77 F N -0.922 118.802 119.950 -0.377 0.000 2.640 77 F HA 0.915 5.441 4.527 -0.001 0.000 0.324 77 F C -2.075 173.652 175.800 -0.121 0.000 1.077 77 F CA -1.493 56.312 58.000 -0.324 0.000 0.965 77 F CB 1.168 40.079 39.000 -0.150 0.000 1.351 77 F HN 0.254 nan 8.300 nan 0.000 0.487 78 L N 1.572 122.906 121.223 0.186 0.000 2.334 78 L HA 0.589 4.929 4.340 -0.001 0.000 0.276 78 L C -0.846 176.115 176.870 0.152 0.000 1.014 78 L CA -0.646 54.214 54.840 0.033 0.000 0.815 78 L CB 2.034 44.104 42.059 0.019 0.000 1.268 78 L HN 0.776 nan 8.230 nan 0.000 0.428 79 Q N 1.818 121.644 119.800 0.042 0.000 2.305 79 Q HA 0.620 4.960 4.340 -0.001 0.000 0.271 79 Q C -1.919 174.090 176.000 0.014 0.000 1.046 79 Q CA -0.573 55.279 55.803 0.083 0.000 0.798 79 Q CB 2.745 31.559 28.738 0.126 0.000 1.286 79 Q HN 0.418 nan 8.270 nan 0.000 0.435 80 V N 4.150 124.064 119.914 0.001 0.000 2.447 80 V HA 0.239 4.359 4.120 -0.001 0.000 0.292 80 V C 0.344 176.405 176.094 -0.054 0.000 1.021 80 V CA -0.386 61.888 62.300 -0.044 0.000 0.850 80 V CB 1.043 32.814 31.823 -0.086 0.000 1.005 80 V HN 1.089 nan 8.190 nan 0.000 0.426 81 E N 3.390 123.561 120.200 -0.049 0.000 3.302 81 E HA -0.300 4.049 4.350 -0.001 0.000 0.430 81 E C 0.380 176.960 176.600 -0.033 0.000 1.543 81 E CA 2.349 58.719 56.400 -0.051 0.000 1.197 81 E CB -0.693 28.956 29.700 -0.085 0.000 1.429 81 E HN 0.786 nan 8.360 nan 0.000 0.455 82 D N 0.513 120.886 120.400 -0.045 0.000 3.088 82 D HA 0.409 5.049 4.640 -0.001 0.000 0.310 82 D C -1.086 175.195 176.300 -0.031 0.000 1.351 82 D CA 0.244 54.225 54.000 -0.033 0.000 0.921 82 D CB 0.734 41.512 40.800 -0.037 0.000 1.045 82 D HN 0.099 nan 8.370 nan 0.000 0.504 83 S N 0.509 116.198 115.700 -0.018 0.000 2.570 83 S HA 0.368 4.838 4.470 -0.001 0.000 0.286 83 S C -1.423 173.195 174.600 0.029 0.000 1.143 83 S CA -0.752 57.444 58.200 -0.006 0.000 0.921 83 S CB 1.966 65.152 63.200 -0.024 0.000 1.108 83 S HN 0.213 nan 8.310 nan 0.000 0.456 84 R N 2.423 122.947 120.500 0.040 0.000 2.574 84 R HA 0.536 4.875 4.340 -0.001 0.000 0.288 84 R C -0.222 176.128 176.300 0.084 0.000 1.004 84 R CA -0.341 55.810 56.100 0.086 0.000 0.895 84 R CB 1.788 32.093 30.300 0.010 0.000 1.191 84 R HN 0.810 nan 8.270 nan 0.000 0.444 85 S N 2.020 117.825 115.700 0.174 0.000 2.624 85 S HA 0.273 4.743 4.470 -0.001 0.000 0.263 85 S C 0.290 174.971 174.600 0.134 0.000 1.287 85 S CA -0.523 57.791 58.200 0.189 0.000 0.990 85 S CB 1.073 64.468 63.200 0.326 0.000 0.950 85 S HN 0.650 nan 8.310 nan 0.000 0.561 86 S N 0.668 116.437 115.700 0.116 0.000 2.614 86 S HA 0.430 4.899 4.470 -0.001 0.000 0.265 86 S C 0.387 175.084 174.600 0.161 0.000 1.303 86 S CA -0.306 57.922 58.200 0.046 0.000 1.000 86 S CB 0.060 63.236 63.200 -0.039 0.000 0.935 86 S HN 1.171 nan 8.310 nan 0.000 0.551 87 T N 0.198 114.783 114.554 0.053 0.000 2.851 87 T HA 0.522 4.871 4.350 -0.001 0.000 0.298 87 T C -0.336 174.427 174.700 0.106 0.000 0.977 87 T CA -0.742 61.362 62.100 0.007 0.000 1.126 87 T CB -0.644 68.218 68.868 -0.010 0.000 0.916 87 T HN 0.650 nan 8.240 nan 0.000 0.529 88 F N -0.274 119.826 119.950 0.249 0.000 2.631 88 F HA 0.801 5.328 4.527 -0.001 0.000 0.328 88 F C -0.247 175.733 175.800 0.299 0.000 1.067 88 F CA -1.389 56.770 58.000 0.265 0.000 0.969 88 F CB 0.826 40.036 39.000 0.350 0.000 1.332 88 F HN 0.467 nan 8.300 nan 0.000 0.490 89 T N 1.445 116.312 114.554 0.522 0.000 2.859 89 T HA 0.592 4.941 4.350 -0.001 0.000 0.281 89 T C -0.752 174.296 174.700 0.581 0.000 1.005 89 T CA -0.588 61.766 62.100 0.424 0.000 1.025 89 T CB 1.669 70.694 68.868 0.263 0.000 0.977 89 T HN 0.533 nan 8.240 nan 0.000 0.458 90 V N 2.707 122.974 119.914 0.589 0.000 2.347 90 V HA 0.845 4.965 4.120 -0.001 0.000 0.280 90 V C 0.594 176.893 176.094 0.340 0.000 1.021 90 V CA -0.246 62.375 62.300 0.534 0.000 0.847 90 V CB 0.910 33.127 31.823 0.657 0.000 0.990 90 V HN 1.143 nan 8.190 nan 0.000 0.444 91 G N 3.435 112.381 108.800 0.243 0.000 2.523 91 G HA2 0.531 4.490 3.960 -0.001 0.000 0.291 91 G HA3 0.531 4.490 3.960 -0.001 0.000 0.291 91 G C -1.525 173.420 174.900 0.075 0.000 1.450 91 G CA -0.771 44.416 45.100 0.146 0.000 0.790 91 G HN 0.508 nan 8.290 nan 0.000 0.496 92 E N 0.089 120.289 120.200 0.000 0.000 2.376 92 E HA 0.409 4.759 4.350 -0.001 0.000 0.266 92 E C 0.081 176.631 176.600 -0.082 0.000 1.009 92 E CA 0.409 56.716 56.400 -0.155 0.000 0.902 92 E CB 0.072 29.630 29.700 -0.236 0.000 0.972 92 E HN 0.646 nan 8.360 nan 0.000 0.439 93 H N 1.016 120.113 119.070 0.044 0.000 2.713 93 H HA -0.240 4.315 4.556 -0.001 0.000 0.311 93 H C 0.950 176.304 175.328 0.044 0.000 1.175 93 H CA 0.141 56.206 56.048 0.029 0.000 1.143 93 H CB -1.151 28.620 29.762 0.016 0.000 1.434 93 H HN 0.479 nan 8.280 nan 0.000 0.418 94 I N 0.339 120.994 120.570 0.143 0.000 2.163 94 I HA -0.205 3.964 4.170 -0.001 0.000 0.240 94 I C 2.002 178.184 176.117 0.109 0.000 1.081 94 I CA 1.525 62.903 61.300 0.130 0.000 1.353 94 I CB -0.161 37.924 38.000 0.142 0.000 1.054 94 I HN 0.451 nan 8.210 nan 0.000 0.407 95 L N -0.632 120.644 121.223 0.089 0.000 2.083 95 L HA -0.189 4.151 4.340 -0.001 0.000 0.209 95 L C 2.491 179.393 176.870 0.053 0.000 1.083 95 L CA 1.041 55.923 54.840 0.070 0.000 0.752 95 L CB -0.831 41.261 42.059 0.056 0.000 0.899 95 L HN 0.345 nan 8.230 nan 0.000 0.433 96 L N 1.320 122.570 121.223 0.045 0.000 1.976 96 L HA -0.245 4.094 4.340 -0.001 0.000 0.209 96 L C 2.266 179.168 176.870 0.053 0.000 1.071 96 L CA 2.407 57.261 54.840 0.023 0.000 0.746 96 L CB -0.581 41.471 42.059 -0.011 0.000 0.890 96 L HN 0.467 nan 8.230 nan 0.000 0.432 97 N N -2.263 116.489 118.700 0.085 0.000 2.331 97 N HA -0.172 4.567 4.740 -0.001 0.000 0.180 97 N C 1.615 177.188 175.510 0.104 0.000 1.019 97 N CA 0.909 54.014 53.050 0.092 0.000 0.881 97 N CB -0.520 38.028 38.487 0.102 0.000 0.972 97 N HN 0.376 nan 8.380 nan 0.000 0.435 98 Q N -0.323 119.538 119.800 0.103 0.000 2.172 98 Q HA -0.006 4.333 4.340 -0.001 0.000 0.200 98 Q C 1.327 177.377 176.000 0.085 0.000 0.964 98 Q CA 1.907 57.780 55.803 0.116 0.000 0.855 98 Q CB -0.096 28.703 28.738 0.101 0.000 0.918 98 Q HN 0.792 nan 8.270 nan 0.000 0.444 99 T N -3.555 111.017 114.554 0.030 0.000 2.986 99 T HA 0.096 4.446 4.350 -0.001 0.000 0.264 99 T C 1.586 176.364 174.700 0.129 0.000 0.964 99 T CA -0.076 62.015 62.100 -0.014 0.000 0.895 99 T CB -0.086 68.726 68.868 -0.094 0.000 1.163 99 T HN 0.031 nan 8.240 nan 0.000 0.517 100 L N 2.269 123.560 121.223 0.113 0.000 1.994 100 L HA 0.154 4.493 4.340 -0.001 0.000 0.208 100 L C 2.623 179.555 176.870 0.102 0.000 1.071 100 L CA 2.260 57.164 54.840 0.107 0.000 0.745 100 L CB -1.137 40.951 42.059 0.047 0.000 0.892 100 L HN 0.361 nan 8.230 nan 0.000 0.431 101 S N -0.708 115.039 115.700 0.078 0.000 2.374 101 S HA -0.248 4.221 4.470 -0.001 0.000 0.227 101 S C 1.747 176.371 174.600 0.041 0.000 1.037 101 S CA 1.802 60.012 58.200 0.017 0.000 1.024 101 S CB -0.558 62.672 63.200 0.051 0.000 0.861 101 S HN 0.636 nan 8.310 nan 0.000 0.456 102 D N 0.481 120.993 120.400 0.187 0.000 2.144 102 D HA -0.055 4.584 4.640 -0.001 0.000 0.199 102 D C 2.089 178.539 176.300 0.251 0.000 0.984 102 D CA 1.078 55.241 54.000 0.271 0.000 0.834 102 D CB -0.561 40.443 40.800 0.340 0.000 0.955 102 D HN 0.332 nan 8.370 nan 0.000 0.465 103 V N 1.282 121.328 119.914 0.221 0.000 2.343 103 V HA -0.216 3.904 4.120 -0.001 0.000 0.247 103 V C 2.493 178.790 176.094 0.338 0.000 1.051 103 V CA 1.086 63.546 62.300 0.266 0.000 1.036 103 V CB -0.371 31.632 31.823 0.301 0.000 0.654 103 V HN 0.166 nan 8.190 nan 0.000 0.451 104 I N -0.448 120.251 120.570 0.214 0.000 2.179 104 I HA -0.273 3.896 4.170 -0.001 0.000 0.242 104 I C 2.418 178.643 176.117 0.180 0.000 1.088 104 I CA 1.914 63.312 61.300 0.164 0.000 1.357 104 I CB -0.660 37.335 38.000 -0.007 0.000 1.051 104 I HN 0.351 nan 8.210 nan 0.000 0.409 105 H N -0.960 118.217 119.070 0.179 0.000 2.422 105 H HA -0.260 4.296 4.556 -0.001 0.000 0.298 105 H C 2.102 177.518 175.328 0.147 0.000 1.098 105 H CA 1.765 57.901 56.048 0.146 0.000 1.315 105 H CB -0.126 29.718 29.762 0.138 0.000 1.382 105 H HN 0.385 nan 8.280 nan 0.000 0.523 106 Y N 0.597 120.985 120.300 0.147 0.000 2.128 106 Y HA -0.289 4.260 4.550 -0.001 0.000 0.284 106 Y C 1.729 177.577 175.900 -0.087 0.000 1.154 106 Y CA 1.387 59.479 58.100 -0.013 0.000 1.149 106 Y CB -0.771 37.603 38.460 -0.143 0.000 0.976 106 Y HN 0.040 nan 8.280 nan 0.000 0.505 107 F N 0.918 120.728 119.950 -0.233 0.000 2.102 107 F HA -0.142 4.385 4.527 -0.001 0.000 0.298 107 F C 2.624 178.380 175.800 -0.073 0.000 1.105 107 F CA 2.141 59.895 58.000 -0.409 0.000 1.239 107 F CB -0.722 38.042 39.000 -0.393 0.000 0.991 107 F HN -0.004 nan 8.300 nan 0.000 0.474 108 K N 0.250 120.761 120.400 0.186 0.000 2.097 108 K HA -0.170 4.149 4.320 -0.001 0.000 0.206 108 K C 2.253 178.890 176.600 0.062 0.000 1.049 108 K CA 1.464 57.817 56.287 0.110 0.000 0.933 108 K CB -0.217 32.354 32.500 0.118 0.000 0.717 108 K HN 0.313 nan 8.250 nan 0.000 0.442 109 S N -0.129 115.612 115.700 0.069 0.000 2.474 109 S HA -0.087 4.383 4.470 -0.001 0.000 0.235 109 S C 1.463 176.124 174.600 0.102 0.000 0.997 109 S CA 0.684 58.931 58.200 0.078 0.000 0.949 109 S CB 0.075 63.335 63.200 0.100 0.000 0.766 109 S HN 0.249 nan 8.310 nan 0.000 0.517 110 Q N 0.641 120.476 119.800 0.059 0.000 2.247 110 Q HA 0.312 4.652 4.340 -0.001 0.000 0.211 110 Q C -0.042 176.056 176.000 0.163 0.000 0.861 110 Q CA -0.058 55.838 55.803 0.155 0.000 0.949 110 Q CB 0.184 28.881 28.738 -0.069 0.000 1.115 110 Q HN 0.608 nan 8.270 nan 0.000 0.507 111 R N 0.127 120.679 120.500 0.086 0.000 2.583 111 R HA -0.000 4.339 4.340 -0.001 0.000 0.274 111 R C 0.170 176.240 176.300 -0.384 0.000 0.998 111 R CA 0.054 56.038 56.100 -0.192 0.000 1.081 111 R CB 0.346 30.372 30.300 -0.458 0.000 0.940 111 R HN 0.114 nan 8.270 nan 0.000 0.413 112 C N 2.924 121.931 119.300 -0.488 0.000 2.637 112 C HA 0.542 5.002 4.460 -0.001 0.000 0.418 112 C C 0.874 175.815 174.990 -0.082 0.000 1.319 112 C CA 0.415 59.054 59.018 -0.632 0.000 1.949 112 C CB -0.785 26.715 27.740 -0.401 0.000 2.639 112 C HN 0.888 nan 8.230 nan 0.000 0.594 113 G N 3.144 112.038 108.800 0.157 0.000 2.663 113 G HA2 0.696 4.655 3.960 -0.001 0.000 0.299 113 G HA3 0.696 4.655 3.960 -0.001 0.000 0.299 113 G C 0.084 175.151 174.900 0.278 0.000 1.372 113 G CA 0.228 45.455 45.100 0.211 0.000 0.781 113 G HN 1.937 nan 8.290 nan 0.000 0.491 114 G N -1.293 107.607 108.800 0.166 0.000 2.614 114 G HA2 -0.103 3.856 3.960 -0.001 0.000 0.303 114 G HA3 -0.103 3.856 3.960 -0.001 0.000 0.303 114 G C 1.613 176.526 174.900 0.022 0.000 1.270 114 G CA 2.330 47.487 45.100 0.094 0.000 0.988 114 G HN 2.117 nan 8.290 nan 0.000 0.551 115 V N -2.346 117.488 119.914 -0.134 0.000 2.407 115 V HA -0.018 4.101 4.120 -0.001 0.000 0.248 115 V C 2.562 178.519 176.094 -0.228 0.000 1.055 115 V CA 3.019 65.159 62.300 -0.267 0.000 1.049 115 V CB -1.053 30.500 31.823 -0.450 0.000 0.662 115 V HN 0.634 nan 8.190 nan 0.000 0.455 116 F N 1.449 121.471 119.950 0.120 0.000 2.113 116 F HA 0.015 4.542 4.527 -0.001 0.000 0.297 116 F C 2.295 178.170 175.800 0.126 0.000 1.103 116 F CA 1.932 60.017 58.000 0.142 0.000 1.248 116 F CB -1.036 38.120 39.000 0.260 0.000 0.999 116 F HN 0.222 nan 8.300 nan 0.000 0.475 117 D N -0.485 120.097 120.400 0.304 0.000 2.178 117 D HA -0.137 4.502 4.640 -0.001 0.000 0.202 117 D C 2.122 178.495 176.300 0.123 0.000 0.974 117 D CA 0.946 55.067 54.000 0.202 0.000 0.841 117 D CB -0.070 40.839 40.800 0.181 0.000 0.953 117 D HN 0.273 nan 8.370 nan 0.000 0.478 118 Q N -0.509 119.332 119.800 0.068 0.000 2.050 118 Q HA -0.225 4.114 4.340 -0.001 0.000 0.202 118 Q C 1.989 178.000 176.000 0.019 0.000 0.980 118 Q CA 1.389 57.199 55.803 0.013 0.000 0.840 118 Q CB -0.082 28.645 28.738 -0.018 0.000 0.898 118 Q HN 0.167 nan 8.270 nan 0.000 0.424 119 Q N 0.865 120.685 119.800 0.032 0.000 2.170 119 Q HA -0.175 4.164 4.340 -0.001 0.000 0.203 119 Q C 0.823 176.853 176.000 0.050 0.000 0.976 119 Q CA 1.576 57.398 55.803 0.032 0.000 0.858 119 Q CB -0.050 28.712 28.738 0.041 0.000 0.907 119 Q HN 0.305 nan 8.270 nan 0.000 0.433 120 D N -0.734 119.723 120.400 0.094 0.000 2.348 120 D HA -0.054 4.585 4.640 -0.001 0.000 0.216 120 D C 1.244 177.610 176.300 0.111 0.000 0.970 120 D CA 0.428 54.494 54.000 0.109 0.000 0.889 120 D CB 0.007 40.906 40.800 0.165 0.000 0.912 120 D HN 0.365 nan 8.370 nan 0.000 0.524 121 R N -0.038 120.513 120.500 0.085 0.000 2.236 121 R HA 0.096 4.435 4.340 -0.001 0.000 0.208 121 R C 0.711 177.026 176.300 0.026 0.000 1.036 121 R CA 0.589 56.726 56.100 0.062 0.000 1.001 121 R CB 0.259 30.548 30.300 -0.018 0.000 0.896 121 R HN 0.126 nan 8.270 nan 0.000 0.464 122 Q N 0.988 120.793 119.800 0.007 0.000 3.394 122 Q HA 0.166 4.505 4.340 -0.001 0.000 0.285 122 Q C -1.619 174.362 176.000 -0.031 0.000 0.866 122 Q CA -0.157 55.637 55.803 -0.016 0.000 0.844 122 Q CB 2.110 30.837 28.738 -0.018 0.000 1.472 122 Q HN -0.003 nan 8.270 nan 0.000 0.401 123 V N 1.522 121.407 119.914 -0.048 0.000 2.439 123 V HA 0.499 4.619 4.120 -0.001 0.000 0.282 123 V C -2.530 173.493 176.094 -0.118 0.000 1.039 123 V CA -2.232 60.025 62.300 -0.071 0.000 0.913 123 V CB 1.366 33.151 31.823 -0.064 0.000 0.983 123 V HN 0.276 nan 8.190 nan 0.000 0.460 124 P HA 0.134 nan 4.420 nan 0.000 0.267 124 P C -0.774 176.423 177.300 -0.172 0.000 1.205 124 P CA 0.141 63.175 63.100 -0.111 0.000 0.765 124 P CB 0.610 32.265 31.700 -0.075 0.000 0.828 125 V N 5.383 125.175 119.914 -0.204 0.000 2.432 125 V HA 0.082 4.201 4.120 -0.001 0.000 0.271 125 V C 0.721 176.744 176.094 -0.118 0.000 1.046 125 V CA -0.597 61.522 62.300 -0.301 0.000 0.945 125 V CB 0.791 32.385 31.823 -0.382 0.000 0.992 125 V HN 0.431 nan 8.190 nan 0.000 0.471 126 L N 6.697 127.891 121.223 -0.048 0.000 2.513 126 L HA 0.216 4.556 4.340 -0.001 0.000 0.272 126 L C 1.020 177.989 176.870 0.166 0.000 1.187 126 L CA 0.801 55.688 54.840 0.078 0.000 0.895 126 L CB -0.396 41.739 42.059 0.125 0.000 1.147 126 L HN 0.812 nan 8.230 nan 0.000 0.483 127 N N 2.557 121.316 118.700 0.097 0.000 2.741 127 N HA -0.244 4.496 4.740 -0.001 0.000 0.251 127 N C 0.342 175.918 175.510 0.110 0.000 1.112 127 N CA 1.223 54.331 53.050 0.097 0.000 0.750 127 N CB -1.275 37.277 38.487 0.107 0.000 1.119 127 N HN 0.750 nan 8.380 nan 0.000 0.561 128 A N -0.345 122.534 122.820 0.099 0.000 2.469 128 A HA 0.290 4.610 4.320 -0.001 0.000 0.245 128 A C 0.966 178.583 177.584 0.055 0.000 1.221 128 A CA 0.614 52.714 52.037 0.104 0.000 0.946 128 A CB 0.119 19.198 19.000 0.132 0.000 1.049 128 A HN 0.293 nan 8.150 nan 0.000 0.529 129 N N 0.514 119.234 118.700 0.032 0.000 2.698 129 N HA -0.215 4.524 4.740 -0.001 0.000 0.258 129 N C -0.043 175.471 175.510 0.006 0.000 0.978 129 N CA 1.541 54.599 53.050 0.014 0.000 0.777 129 N CB -1.051 37.447 38.487 0.018 0.000 0.907 129 N HN 0.878 nan 8.380 nan 0.000 0.543 130 Q N -2.560 117.235 119.800 -0.007 0.000 2.685 130 Q HA 0.600 4.939 4.340 -0.001 0.000 0.301 130 Q C -1.378 174.591 176.000 -0.052 0.000 0.924 130 Q CA -1.036 54.756 55.803 -0.019 0.000 0.755 130 Q CB 1.276 30.012 28.738 -0.004 0.000 1.470 130 Q HN 0.042 nan 8.270 nan 0.000 0.434 131 T N -0.414 114.107 114.554 -0.056 0.000 2.907 131 T HA 0.863 5.212 4.350 -0.001 0.000 0.292 131 T C -1.624 173.022 174.700 -0.089 0.000 1.043 131 T CA -0.047 62.006 62.100 -0.078 0.000 1.003 131 T CB 1.751 70.588 68.868 -0.051 0.000 1.084 131 T HN 0.759 nan 8.240 nan 0.000 0.483 132 A N 1.855 124.601 122.820 -0.124 0.000 2.454 132 A HA 0.670 4.989 4.320 -0.001 0.000 0.302 132 A C -1.232 176.318 177.584 -0.056 0.000 1.079 132 A CA -0.642 51.330 52.037 -0.108 0.000 0.731 132 A CB 1.580 20.448 19.000 -0.219 0.000 1.299 132 A HN 0.690 nan 8.150 nan 0.000 0.413 133 D N 1.813 122.212 120.400 -0.002 0.000 2.428 133 D HA 0.366 5.005 4.640 -0.001 0.000 0.221 133 D C 0.079 176.426 176.300 0.078 0.000 1.123 133 D CA 0.034 54.075 54.000 0.069 0.000 0.869 133 D CB 0.953 41.816 40.800 0.106 0.000 1.032 133 D HN 0.643 nan 8.370 nan 0.000 0.506 134 V N 2.599 122.566 119.914 0.089 0.000 2.841 134 V HA 0.250 4.370 4.120 -0.001 0.000 0.363 134 V C 0.677 176.900 176.094 0.216 0.000 1.330 134 V CA -0.845 61.503 62.300 0.081 0.000 1.207 134 V CB -0.699 31.139 31.823 0.025 0.000 1.318 134 V HN 0.617 nan 8.190 nan 0.000 0.603 135 H N 0.758 119.906 119.070 0.130 0.000 2.836 135 H HA 0.591 5.146 4.556 -0.001 0.000 0.368 135 H C 0.464 175.856 175.328 0.107 0.000 1.164 135 H CA 1.070 57.182 56.048 0.106 0.000 1.425 135 H CB 1.194 30.994 29.762 0.063 0.000 1.414 135 H HN 1.080 nan 8.280 nan 0.000 0.614 136 G N 0.015 108.763 108.800 -0.087 0.000 2.526 136 G HA2 0.348 4.307 3.960 -0.001 0.000 0.250 136 G HA3 0.348 4.307 3.960 -0.001 0.000 0.250 136 G C 0.161 174.574 174.900 -0.812 0.000 1.289 136 G CA 0.499 45.333 45.100 -0.442 0.000 0.947 136 G HN 1.966 nan 8.290 nan 0.000 0.517 137 G N -1.954 106.027 108.800 -1.366 0.000 2.750 137 G HA2 0.091 4.051 3.960 -0.001 0.000 0.228 137 G HA3 0.091 4.051 3.960 -0.001 0.000 0.228 137 G C 0.089 174.525 174.900 -0.773 0.000 1.367 137 G CA 0.478 44.673 45.100 -1.508 0.000 0.871 137 G HN 1.677 nan 8.290 nan 0.000 0.560 138 W N -0.856 120.299 121.300 -0.242 0.000 2.627 138 W HA 0.563 5.222 4.660 -0.001 0.000 0.339 138 W C -0.183 176.261 176.519 -0.126 0.000 1.058 138 W CA -1.166 56.100 57.345 -0.131 0.000 1.223 138 W CB 0.947 30.441 29.460 0.056 0.000 1.389 138 W HN 0.477 nan 8.180 nan 0.000 0.541 139 Y N 1.137 121.583 120.300 0.245 0.000 2.683 139 Y HA -0.141 4.408 4.550 -0.001 0.000 0.340 139 Y C 1.565 177.620 175.900 0.259 0.000 1.245 139 Y CA 0.600 58.810 58.100 0.183 0.000 1.485 139 Y CB 0.044 38.572 38.460 0.114 0.000 1.328 139 Y HN 0.378 nan 8.280 nan 0.000 0.603 140 D N 0.603 121.287 120.400 0.474 0.000 2.194 140 D HA 0.177 4.817 4.640 -0.001 0.000 0.204 140 D C -0.003 176.571 176.300 0.457 0.000 0.964 140 D CA 1.236 55.512 54.000 0.461 0.000 0.846 140 D CB 0.301 41.434 40.800 0.555 0.000 0.962 140 D HN 0.625 nan 8.370 nan 0.000 0.490 141 A N -1.510 121.544 122.820 0.389 0.000 2.609 141 A HA 0.461 4.781 4.320 -0.001 0.000 0.291 141 A C 0.773 178.494 177.584 0.229 0.000 1.096 141 A CA 0.105 52.349 52.037 0.344 0.000 0.684 141 A CB 0.658 19.823 19.000 0.275 0.000 1.282 141 A HN 0.010 nan 8.150 nan 0.000 0.412 142 S N -0.560 115.260 115.700 0.200 0.000 2.500 142 S HA 0.095 4.565 4.470 -0.001 0.000 0.239 142 S C 1.080 175.792 174.600 0.187 0.000 0.989 142 S CA 1.542 59.873 58.200 0.219 0.000 0.951 142 S CB -0.143 63.219 63.200 0.271 0.000 0.759 142 S HN 1.945 nan 8.310 nan 0.000 0.523 143 G N -0.049 108.770 108.800 0.032 0.000 3.969 143 G HA2 0.399 4.359 3.960 -0.001 0.000 0.291 143 G HA3 0.399 4.359 3.960 -0.001 0.000 0.291 143 G C -0.864 173.895 174.900 -0.234 0.000 1.016 143 G CA -0.230 44.780 45.100 -0.150 0.000 0.819 143 G HN 0.385 nan 8.290 nan 0.000 0.493 144 D N 0.349 120.702 120.400 -0.078 0.000 2.764 144 D HA 0.188 4.828 4.640 -0.001 0.000 0.227 144 D C 0.840 177.138 176.300 -0.003 0.000 1.347 144 D CA -0.526 53.493 54.000 0.032 0.000 0.953 144 D CB 1.902 42.872 40.800 0.284 0.000 1.476 144 D HN 0.066 nan 8.370 nan 0.000 0.585 145 V N 0.913 120.710 119.914 -0.195 0.000 3.577 145 V HA 0.331 4.450 4.120 -0.001 0.000 0.294 145 V C 0.618 176.740 176.094 0.046 0.000 1.317 145 V CA -0.125 62.004 62.300 -0.285 0.000 1.169 145 V CB -0.506 30.716 31.823 -1.002 0.000 1.011 145 V HN 0.313 nan 8.190 nan 0.000 0.426 146 S N 1.182 116.950 115.700 0.114 0.000 2.632 146 S HA 0.563 5.033 4.470 -0.001 0.000 0.267 146 S C -0.110 174.636 174.600 0.242 0.000 1.276 146 S CA -0.551 57.711 58.200 0.103 0.000 0.998 146 S CB 0.980 64.200 63.200 0.034 0.000 0.953 146 S HN 0.639 nan 8.310 nan 0.000 0.547 147 K N 0.862 121.317 120.400 0.091 0.000 2.378 147 K HA 0.534 4.854 4.320 -0.001 0.000 0.252 147 K C -1.758 174.947 176.600 0.176 0.000 0.931 147 K CA -0.462 55.962 56.287 0.230 0.000 0.794 147 K CB 1.703 34.279 32.500 0.127 0.000 1.181 147 K HN 0.577 nan 8.250 nan 0.000 0.425 148 Y N 1.422 121.900 120.300 0.296 0.000 2.457 148 Y HA 0.199 4.749 4.550 -0.001 0.000 0.343 148 Y C 0.487 176.554 175.900 0.278 0.000 0.994 148 Y CA -0.946 57.323 58.100 0.282 0.000 1.031 148 Y CB 1.661 40.288 38.460 0.280 0.000 1.246 148 Y HN 0.386 nan 8.280 nan 0.000 0.449 149 L N 0.895 122.345 121.223 0.378 0.000 2.202 149 L HA 0.198 4.538 4.340 -0.001 0.000 0.205 149 L C 0.674 177.697 176.870 0.255 0.000 1.083 149 L CA 1.202 56.196 54.840 0.256 0.000 0.790 149 L CB 0.082 42.235 42.059 0.156 0.000 0.942 149 L HN 0.583 nan 8.230 nan 0.000 0.452 150 S N -2.879 113.019 115.700 0.329 0.000 2.655 150 S HA 0.550 5.019 4.470 -0.001 0.000 0.266 150 S C -1.619 173.258 174.600 0.460 0.000 1.149 150 S CA -0.549 57.847 58.200 0.326 0.000 0.818 150 S CB 0.731 64.029 63.200 0.163 0.000 1.130 150 S HN 0.425 nan 8.310 nan 0.000 0.476 151 H N -0.017 119.113 119.070 0.100 0.000 3.234 151 H HA 0.505 5.061 4.556 -0.001 0.000 0.280 151 H C -0.123 175.097 175.328 -0.181 0.000 1.601 151 H CA -0.127 55.891 56.048 -0.049 0.000 1.198 151 H CB -0.524 29.187 29.762 -0.084 0.000 1.840 151 H HN 0.898 nan 8.280 nan 0.000 0.681 152 L N 0.071 121.041 121.223 -0.423 0.000 4.001 152 L HA -0.260 4.080 4.340 -0.001 0.000 0.413 152 L C 0.999 177.633 176.870 -0.394 0.000 1.185 152 L CA 0.745 55.297 54.840 -0.480 0.000 0.963 152 L CB -1.830 39.707 42.059 -0.869 0.000 1.976 152 L HN 0.589 nan 8.230 nan 0.000 0.939 153 S N -0.661 114.944 115.700 -0.158 0.000 2.399 153 S HA -0.172 4.297 4.470 -0.001 0.000 0.231 153 S C 1.586 176.108 174.600 -0.131 0.000 1.022 153 S CA 1.595 59.717 58.200 -0.130 0.000 0.983 153 S CB -0.265 62.908 63.200 -0.046 0.000 0.803 153 S HN 0.809 nan 8.310 nan 0.000 0.480 154 Y N 1.101 121.320 120.300 -0.135 0.000 2.465 154 Y HA 0.143 4.693 4.550 -0.001 0.000 0.289 154 Y C 1.944 177.782 175.900 -0.103 0.000 1.150 154 Y CA 0.523 58.557 58.100 -0.109 0.000 1.293 154 Y CB -0.530 37.890 38.460 -0.065 0.000 0.977 154 Y HN 0.176 nan 8.280 nan 0.000 0.556 155 A N 0.261 122.620 122.820 -0.768 0.000 2.218 155 A HA 0.028 4.348 4.320 -0.001 0.000 0.209 155 A C 1.433 178.792 177.584 -0.375 0.000 1.168 155 A CA 0.646 52.344 52.037 -0.564 0.000 0.804 155 A CB -0.380 18.229 19.000 -0.651 0.000 0.834 155 A HN 0.663 nan 8.150 nan 0.000 0.482 156 N N -2.070 116.390 118.700 -0.400 0.000 2.289 156 N HA -0.295 4.445 4.740 -0.001 0.000 0.225 156 N C 0.261 175.455 175.510 -0.526 0.000 0.871 156 N CA 2.718 55.465 53.050 -0.505 0.000 2.759 156 N CB -1.166 36.899 38.487 -0.703 0.000 0.818 156 N HN 0.662 nan 8.380 nan 0.000 0.471 157 Y N 0.058 120.251 120.300 -0.179 0.000 2.507 157 Y HA 0.426 4.975 4.550 -0.001 0.000 0.254 157 Y C 1.625 177.368 175.900 -0.261 0.000 1.171 157 Y CA 0.021 58.020 58.100 -0.167 0.000 1.238 157 Y CB 0.388 38.750 38.460 -0.163 0.000 1.148 157 Y HN 0.023 nan 8.280 nan 0.000 0.525 158 L N -0.768 120.312 121.223 -0.238 0.000 2.701 158 L HA 0.193 4.532 4.340 -0.001 0.000 0.238 158 L C 0.036 176.657 176.870 -0.415 0.000 1.106 158 L CA 0.058 54.632 54.840 -0.444 0.000 0.898 158 L CB -0.202 41.531 42.059 -0.543 0.000 1.188 158 L HN -0.016 nan 8.230 nan 0.000 0.508 159 N N 1.998 120.574 118.700 -0.205 0.000 2.256 159 N HA -0.021 4.718 4.740 -0.001 0.000 0.277 159 N C -2.462 173.166 175.510 0.197 0.000 1.362 159 N CA -0.354 52.651 53.050 -0.076 0.000 0.861 159 N CB 0.191 38.653 38.487 -0.042 0.000 1.136 159 N HN 0.056 nan 8.380 nan 0.000 0.492 160 P HA 0.157 nan 4.420 nan 0.000 0.290 160 P C -1.163 176.261 177.300 0.206 0.000 1.275 160 P CA -0.642 62.659 63.100 0.336 0.000 0.841 160 P CB 0.971 32.957 31.700 0.476 0.000 1.042 161 Q N 1.943 121.839 119.800 0.160 0.000 2.294 161 Q HA 0.233 4.573 4.340 -0.001 0.000 0.257 161 Q C 0.491 176.525 176.000 0.057 0.000 0.955 161 Q CA 0.081 55.947 55.803 0.105 0.000 0.936 161 Q CB 1.331 30.120 28.738 0.085 0.000 1.188 161 Q HN 0.503 nan 8.270 nan 0.000 0.420 162 Q N 0.815 120.655 119.800 0.068 0.000 2.968 162 Q HA 0.161 4.500 4.340 -0.001 0.000 0.245 162 Q C 1.427 177.457 176.000 0.051 0.000 1.136 162 Q CA 0.053 55.860 55.803 0.008 0.000 0.410 162 Q CB -0.114 28.692 28.738 0.113 0.000 5.262 162 Q HN 0.545 nan 8.270 nan 0.000 0.356 163 T N 2.790 117.457 114.554 0.189 0.000 2.653 163 T HA -0.149 4.201 4.350 -0.001 0.000 0.268 163 T C -1.222 173.604 174.700 0.210 0.000 1.035 163 T CA 2.085 64.359 62.100 0.289 0.000 1.154 163 T CB -1.389 67.745 68.868 0.443 0.000 0.862 163 T HN 0.210 nan 8.240 nan 0.000 0.441 164 P HA 0.036 nan 4.420 nan 0.000 0.220 164 P C 1.450 178.766 177.300 0.026 0.000 1.148 164 P CA 0.785 63.915 63.100 0.049 0.000 0.803 164 P CB -0.096 31.584 31.700 -0.033 0.000 0.782 165 M N -0.853 118.734 119.600 -0.021 0.000 2.229 165 M HA -0.086 4.394 4.480 -0.001 0.000 0.264 165 M C 1.728 177.911 176.300 -0.195 0.000 1.063 165 M CA 1.434 56.671 55.300 -0.105 0.000 1.114 165 M CB -1.000 31.513 32.600 -0.145 0.000 1.387 165 M HN -0.292 nan 8.290 nan 0.000 0.420 166 V N -1.122 118.663 119.914 -0.215 0.000 2.261 166 V HA -0.266 3.854 4.120 -0.001 0.000 0.246 166 V C 2.255 178.159 176.094 -0.317 0.000 1.047 166 V CA 1.888 63.936 62.300 -0.420 0.000 1.015 166 V CB -1.051 30.359 31.823 -0.688 0.000 0.642 166 V HN 0.332 nan 8.190 nan 0.000 0.446 167 V N -1.311 118.554 119.914 -0.081 0.000 2.295 167 V HA -0.290 3.829 4.120 -0.001 0.000 0.246 167 V C 2.026 178.082 176.094 -0.063 0.000 1.049 167 V CA 2.368 64.659 62.300 -0.013 0.000 1.024 167 V CB -0.858 31.010 31.823 0.074 0.000 0.648 167 V HN 0.744 nan 8.190 nan 0.000 0.447 168 W N 1.614 122.809 121.300 -0.175 0.000 2.335 168 W HA -0.196 4.463 4.660 -0.001 0.000 0.311 168 W C 2.381 178.771 176.519 -0.215 0.000 1.213 168 W CA 2.061 59.301 57.345 -0.174 0.000 1.274 168 W CB -0.339 29.025 29.460 -0.159 0.000 1.148 168 W HN 0.254 nan 8.180 nan 0.000 0.498 169 N N 0.329 118.961 118.700 -0.114 0.000 2.104 169 N HA -0.215 4.525 4.740 -0.001 0.000 0.190 169 N C 1.709 177.012 175.510 -0.346 0.000 1.024 169 N CA 2.195 55.071 53.050 -0.290 0.000 0.853 169 N CB -0.857 37.390 38.487 -0.400 0.000 1.008 169 N HN 0.167 nan 8.380 nan 0.000 0.424 170 I N 0.732 121.113 120.570 -0.314 0.000 2.142 170 I HA -0.221 3.949 4.170 -0.001 0.000 0.240 170 I C 2.097 178.046 176.117 -0.280 0.000 1.078 170 I CA 1.059 62.200 61.300 -0.266 0.000 1.343 170 I CB -1.097 36.768 38.000 -0.225 0.000 1.046 170 I HN 0.101 nan 8.210 nan 0.000 0.405 171 L N 0.572 121.597 121.223 -0.330 0.000 2.083 171 L HA -0.221 4.118 4.340 -0.001 0.000 0.209 171 L C 2.640 179.248 176.870 -0.437 0.000 1.083 171 L CA 1.275 55.908 54.840 -0.344 0.000 0.752 171 L CB -0.658 41.194 42.059 -0.345 0.000 0.899 171 L HN 0.200 nan 8.230 nan 0.000 0.433 172 K N 0.705 120.700 120.400 -0.675 0.000 2.026 172 K HA -0.100 4.220 4.320 -0.001 0.000 0.208 172 K C 2.015 178.401 176.600 -0.356 0.000 1.048 172 K CA 1.631 57.507 56.287 -0.686 0.000 0.929 172 K CB -0.831 30.990 32.500 -1.131 0.000 0.713 172 K HN 0.180 nan 8.250 nan 0.000 0.439 173 G N 0.845 109.471 108.800 -0.289 0.000 2.440 173 G HA2 -0.217 3.743 3.960 -0.001 0.000 0.218 173 G HA3 -0.217 3.743 3.960 -0.001 0.000 0.218 173 G C 1.356 176.163 174.900 -0.155 0.000 1.154 173 G CA 0.826 45.820 45.100 -0.177 0.000 0.767 173 G HN 0.256 nan 8.290 nan 0.000 0.552 174 L N 1.873 122.992 121.223 -0.173 0.000 2.042 174 L HA -0.082 4.258 4.340 -0.001 0.000 0.210 174 L C 3.237 180.032 176.870 -0.124 0.000 1.076 174 L CA 2.333 57.090 54.840 -0.139 0.000 0.749 174 L CB -0.912 41.060 42.059 -0.144 0.000 0.893 174 L HN 0.432 nan 8.230 nan 0.000 0.432 175 S N -1.646 113.966 115.700 -0.148 0.000 2.406 175 S HA -0.114 4.355 4.470 -0.001 0.000 0.228 175 S C 2.096 176.644 174.600 -0.086 0.000 1.020 175 S CA 0.761 58.892 58.200 -0.114 0.000 0.965 175 S CB -0.610 62.511 63.200 -0.131 0.000 0.798 175 S HN 0.421 nan 8.310 nan 0.000 0.488 176 L N 0.488 121.654 121.223 -0.094 0.000 2.046 176 L HA 0.071 4.411 4.340 -0.001 0.000 0.208 176 L C 2.234 179.067 176.870 -0.061 0.000 1.077 176 L CA 1.182 55.984 54.840 -0.063 0.000 0.747 176 L CB -0.409 41.615 42.059 -0.058 0.000 0.896 176 L HN 0.339 nan 8.230 nan 0.000 0.432 177 L N -0.779 120.398 121.223 -0.077 0.000 2.607 177 L HA 0.088 4.427 4.340 -0.001 0.000 0.228 177 L C 0.963 177.795 176.870 -0.063 0.000 1.123 177 L CA -0.216 54.578 54.840 -0.078 0.000 0.890 177 L CB -0.105 41.896 42.059 -0.096 0.000 1.103 177 L HN 0.231 nan 8.230 nan 0.000 0.468 178 E N 0.618 120.783 120.200 -0.058 0.000 2.465 178 E HA 0.137 4.486 4.350 -0.001 0.000 0.260 178 E C 1.175 177.755 176.600 -0.033 0.000 0.980 178 E CA 0.913 57.286 56.400 -0.045 0.000 0.927 178 E CB 0.447 30.120 29.700 -0.045 0.000 0.934 178 E HN 0.319 nan 8.360 nan 0.000 0.459 179 G N 3.054 111.838 108.800 -0.026 0.000 2.268 179 G HA2 -0.332 3.627 3.960 -0.001 0.000 0.240 179 G HA3 -0.332 3.627 3.960 -0.001 0.000 0.240 179 G C 0.322 175.212 174.900 -0.017 0.000 1.010 179 G CA 0.409 45.499 45.100 -0.017 0.000 0.618 179 G HN 0.878 nan 8.290 nan 0.000 0.516 180 S N -0.460 115.224 115.700 -0.026 0.000 2.713 180 S HA 0.694 5.164 4.470 -0.001 0.000 0.277 180 S C 0.572 175.158 174.600 -0.024 0.000 1.168 180 S CA 0.282 58.467 58.200 -0.026 0.000 0.994 180 S CB 1.690 64.864 63.200 -0.043 0.000 1.054 180 S HN 0.253 nan 8.310 nan 0.000 0.555 181 E N -0.437 119.751 120.200 -0.020 0.000 2.548 181 E HA 0.103 4.453 4.350 -0.001 0.000 0.206 181 E C -0.056 176.528 176.600 -0.026 0.000 1.005 181 E CA -0.118 56.276 56.400 -0.010 0.000 0.951 181 E CB 0.176 29.882 29.700 0.010 0.000 1.035 181 E HN 0.562 nan 8.360 nan 0.000 0.470 182 D N 1.191 121.543 120.400 -0.080 0.000 2.178 182 D HA -0.052 4.587 4.640 -0.001 0.000 0.202 182 D C 1.255 177.487 176.300 -0.114 0.000 0.974 182 D CA 0.968 54.865 54.000 -0.172 0.000 0.841 182 D CB 0.238 40.840 40.800 -0.331 0.000 0.953 182 D HN 0.369 nan 8.370 nan 0.000 0.478 183 I N -2.754 117.773 120.570 -0.073 0.000 2.693 183 I HA 0.658 4.827 4.170 -0.001 0.000 0.303 183 I C -0.256 175.859 176.117 -0.003 0.000 1.025 183 I CA -1.466 59.814 61.300 -0.034 0.000 1.086 183 I CB 2.090 40.065 38.000 -0.042 0.000 1.268 183 I HN -0.250 nan 8.210 nan 0.000 0.440 184 A N 3.201 126.037 122.820 0.027 0.000 2.313 184 A HA 0.650 4.969 4.320 -0.001 0.000 0.261 184 A C 1.365 178.984 177.584 0.060 0.000 1.090 184 A CA 0.151 52.221 52.037 0.054 0.000 0.807 184 A CB 0.599 19.652 19.000 0.089 0.000 1.055 184 A HN 1.150 nan 8.150 nan 0.000 0.492 185 A N 0.298 123.163 122.820 0.075 0.000 1.908 185 A HA -0.106 4.214 4.320 -0.001 0.000 0.218 185 A C 1.820 179.464 177.584 0.099 0.000 1.181 185 A CA 2.066 54.146 52.037 0.072 0.000 0.627 185 A CB -0.709 18.339 19.000 0.080 0.000 0.818 185 A HN 1.073 nan 8.150 nan 0.000 0.445 186 F N 1.290 121.241 119.950 0.002 0.000 2.293 186 F HA -0.093 4.434 4.527 -0.001 0.000 0.300 186 F C 2.427 178.226 175.800 -0.001 0.000 1.086 186 F CA 1.943 59.946 58.000 0.005 0.000 1.375 186 F CB -0.376 38.632 39.000 0.014 0.000 1.045 186 F HN 0.216 nan 8.300 nan 0.000 0.516 187 T N 0.101 114.677 114.554 0.037 0.000 2.812 187 T HA -0.174 4.176 4.350 -0.001 0.000 0.264 187 T C 2.060 176.698 174.700 -0.103 0.000 1.042 187 T CA 1.402 63.477 62.100 -0.042 0.000 1.140 187 T CB -0.303 68.573 68.868 0.012 0.000 0.870 187 T HN 0.263 nan 8.240 nan 0.000 0.445 188 R N 1.001 121.456 120.500 -0.075 0.000 2.083 188 R HA -0.146 4.194 4.340 -0.001 0.000 0.237 188 R C 2.276 178.505 176.300 -0.119 0.000 1.137 188 R CA 2.012 58.063 56.100 -0.082 0.000 0.951 188 R CB -0.790 29.478 30.300 -0.053 0.000 0.851 188 R HN 0.273 nan 8.270 nan 0.000 0.434 189 T N 0.657 115.114 114.554 -0.162 0.000 2.665 189 T HA -0.157 4.193 4.350 -0.001 0.000 0.268 189 T C 1.852 176.405 174.700 -0.245 0.000 1.035 189 T CA 1.830 63.805 62.100 -0.209 0.000 1.151 189 T CB -0.237 68.457 68.868 -0.291 0.000 0.862 189 T HN 0.397 nan 8.240 nan 0.000 0.438 190 R N 0.364 120.661 120.500 -0.339 0.000 2.081 190 R HA 0.062 4.401 4.340 -0.001 0.000 0.235 190 R C 2.520 178.741 176.300 -0.132 0.000 1.131 190 R CA 1.021 56.963 56.100 -0.264 0.000 0.960 190 R CB -0.546 29.578 30.300 -0.293 0.000 0.856 190 R HN 0.343 nan 8.270 nan 0.000 0.436 191 L N 0.352 121.504 121.223 -0.118 0.000 2.046 191 L HA -0.183 4.156 4.340 -0.001 0.000 0.208 191 L C 2.356 179.187 176.870 -0.065 0.000 1.077 191 L CA 1.286 56.076 54.840 -0.083 0.000 0.747 191 L CB -0.332 41.672 42.059 -0.091 0.000 0.896 191 L HN 0.181 nan 8.230 nan 0.000 0.432 192 I N -0.342 120.185 120.570 -0.072 0.000 2.226 192 I HA -0.318 3.851 4.170 -0.001 0.000 0.245 192 I C 2.645 178.755 176.117 -0.013 0.000 1.100 192 I CA 1.433 62.704 61.300 -0.048 0.000 1.374 192 I CB -0.298 37.671 38.000 -0.051 0.000 1.057 192 I HN 0.380 nan 8.210 nan 0.000 0.413 193 E N 1.038 121.225 120.200 -0.022 0.000 2.070 193 E HA -0.321 4.028 4.350 -0.001 0.000 0.197 193 E C 2.017 178.671 176.600 0.091 0.000 1.004 193 E CA 1.770 58.181 56.400 0.019 0.000 0.805 193 E CB 0.044 29.731 29.700 -0.021 0.000 0.744 193 E HN 0.317 nan 8.360 nan 0.000 0.451 194 E N 0.016 120.269 120.200 0.088 0.000 2.106 194 E HA -0.073 4.276 4.350 -0.001 0.000 0.192 194 E C 1.685 178.457 176.600 0.286 0.000 0.984 194 E CA 1.239 57.766 56.400 0.210 0.000 0.806 194 E CB -0.239 29.545 29.700 0.139 0.000 0.750 194 E HN 0.382 nan 8.360 nan 0.000 0.458 195 A N 0.204 123.094 122.820 0.116 0.000 1.873 195 A HA -0.115 4.205 4.320 -0.001 0.000 0.215 195 A C 2.195 179.812 177.584 0.054 0.000 1.186 195 A CA 1.232 53.312 52.037 0.071 0.000 0.616 195 A CB -0.672 18.302 19.000 -0.043 0.000 0.823 195 A HN 0.297 nan 8.150 nan 0.000 0.442 196 L N -1.942 119.310 121.223 0.048 0.000 2.201 196 L HA -0.117 4.223 4.340 -0.001 0.000 0.212 196 L C 2.417 179.332 176.870 0.075 0.000 1.105 196 L CA 1.186 56.047 54.840 0.036 0.000 0.775 196 L CB -0.533 41.589 42.059 0.105 0.000 0.913 196 L HN 0.502 nan 8.230 nan 0.000 0.440 197 F N 1.133 121.066 119.950 -0.030 0.000 2.095 197 F HA -0.153 4.373 4.527 -0.001 0.000 0.298 197 F C 2.197 177.849 175.800 -0.247 0.000 1.104 197 F CA 1.729 59.653 58.000 -0.126 0.000 1.232 197 F CB -0.503 38.399 39.000 -0.164 0.000 0.987 197 F HN -0.027 nan 8.300 nan 0.000 0.475 198 G N -0.613 108.029 108.800 -0.264 0.000 2.421 198 G HA2 -0.093 3.867 3.960 -0.001 0.000 0.217 198 G HA3 -0.093 3.867 3.960 -0.001 0.000 0.217 198 G C 1.808 176.645 174.900 -0.105 0.000 1.143 198 G CA 0.589 45.491 45.100 -0.330 0.000 0.784 198 G HN 0.615 nan 8.290 nan 0.000 0.541 199 A N 1.449 124.204 122.820 -0.109 0.000 1.883 199 A HA -0.110 4.209 4.320 -0.001 0.000 0.217 199 A C 2.081 179.653 177.584 -0.019 0.000 1.186 199 A CA 2.172 54.092 52.037 -0.195 0.000 0.624 199 A CB -0.498 18.152 19.000 -0.584 0.000 0.822 199 A HN 0.268 nan 8.150 nan 0.000 0.444 200 D N -1.225 119.226 120.400 0.084 0.000 2.149 200 D HA -0.141 4.499 4.640 -0.001 0.000 0.198 200 D C 1.565 177.907 176.300 0.069 0.000 0.990 200 D CA 1.303 55.453 54.000 0.250 0.000 0.839 200 D CB -0.427 40.452 40.800 0.130 0.000 0.948 200 D HN 0.493 nan 8.370 nan 0.000 0.460 201 F N 1.103 120.884 119.950 -0.283 0.000 2.186 201 F HA -0.043 4.483 4.527 -0.001 0.000 0.299 201 F C 1.985 177.706 175.800 -0.133 0.000 1.090 201 F CA 0.879 58.694 58.000 -0.307 0.000 1.307 201 F CB -0.237 38.476 39.000 -0.478 0.000 1.019 201 F HN -0.111 nan 8.300 nan 0.000 0.489 202 L N -0.868 120.235 121.223 -0.201 0.000 2.093 202 L HA -0.176 4.163 4.340 -0.001 0.000 0.208 202 L C 2.413 179.255 176.870 -0.047 0.000 1.085 202 L CA 0.798 55.516 54.840 -0.203 0.000 0.755 202 L CB -0.900 41.084 42.059 -0.124 0.000 0.904 202 L HN -0.028 nan 8.230 nan 0.000 0.435 203 V N 0.107 119.986 119.914 -0.058 0.000 2.332 203 V HA -0.312 3.808 4.120 -0.001 0.000 0.248 203 V C 2.611 178.547 176.094 -0.264 0.000 1.055 203 V CA 1.863 64.066 62.300 -0.161 0.000 1.038 203 V CB -0.618 30.983 31.823 -0.372 0.000 0.651 203 V HN 0.427 nan 8.190 nan 0.000 0.450 204 R N -1.066 119.281 120.500 -0.254 0.000 2.148 204 R HA -0.011 4.329 4.340 -0.001 0.000 0.223 204 R C 2.089 178.269 176.300 -0.200 0.000 1.088 204 R CA 0.975 56.949 56.100 -0.211 0.000 0.985 204 R CB -0.212 29.993 30.300 -0.159 0.000 0.880 204 R HN 0.370 nan 8.270 nan 0.000 0.451 205 M N 0.516 119.950 119.600 -0.276 0.000 2.562 205 M HA -0.023 4.456 4.480 -0.001 0.000 0.257 205 M C 0.646 176.871 176.300 -0.125 0.000 1.099 205 M CA 0.751 55.973 55.300 -0.130 0.000 1.099 205 M CB -0.242 32.180 32.600 -0.296 0.000 1.427 205 M HN 0.097 nan 8.290 nan 0.000 0.489 206 Q N 2.084 121.698 119.800 -0.310 0.000 2.307 206 Q HA 0.071 4.411 4.340 -0.001 0.000 0.259 206 Q C 0.033 175.562 176.000 -0.784 0.000 0.998 206 Q CA -0.113 55.203 55.803 -0.812 0.000 0.923 206 Q CB 0.723 28.889 28.738 -0.955 0.000 1.196 206 Q HN 0.230 nan 8.270 nan 0.000 0.416 207 N N 2.369 120.353 118.700 -1.193 0.000 2.453 207 N HA -0.100 4.639 4.740 -0.001 0.000 0.253 207 N C 0.620 175.653 175.510 -0.794 0.000 1.252 207 N CA 0.468 52.857 53.050 -1.101 0.000 0.917 207 N CB 0.828 38.181 38.487 -1.889 0.000 1.117 207 N HN 0.750 nan 8.380 nan 0.000 0.442 208 E N 2.264 122.160 120.200 -0.506 0.000 2.160 208 E HA -0.215 4.135 4.350 -0.001 0.000 0.195 208 E C 1.043 177.448 176.600 -0.325 0.000 0.991 208 E CA 1.333 57.530 56.400 -0.337 0.000 0.810 208 E CB -0.078 29.501 29.700 -0.202 0.000 0.742 208 E HN 0.576 nan 8.360 nan 0.000 0.466 209 K N -0.106 120.060 120.400 -0.390 0.000 2.211 209 K HA -0.005 4.314 4.320 -0.001 0.000 0.203 209 K C 1.380 177.747 176.600 -0.387 0.000 1.050 209 K CA 0.886 57.023 56.287 -0.250 0.000 0.945 209 K CB 0.059 32.518 32.500 -0.069 0.000 0.732 209 K HN 0.439 nan 8.250 nan 0.000 0.451 210 G N 0.999 109.372 108.800 -0.713 0.000 2.296 210 G HA2 -0.194 3.765 3.960 -0.001 0.000 0.188 210 G HA3 -0.194 3.765 3.960 -0.001 0.000 0.188 210 G C 0.147 174.481 174.900 -0.943 0.000 1.000 210 G CA -0.176 44.494 45.100 -0.718 0.000 0.672 210 G HN 0.267 nan 8.290 nan 0.000 0.483 211 F N 0.811 120.121 119.950 -1.067 0.000 2.378 211 F HA 0.832 5.358 4.527 -0.001 0.000 0.319 211 F C -0.010 175.320 175.800 -0.783 0.000 1.155 211 F CA -2.097 55.473 58.000 -0.717 0.000 1.157 211 F CB 0.372 39.073 39.000 -0.498 0.000 1.252 211 F HN -0.081 nan 8.300 nan 0.000 0.550 212 F N 0.701 120.584 119.950 -0.112 0.000 2.425 212 F HA 0.419 4.945 4.527 -0.001 0.000 0.331 212 F C -0.412 175.384 175.800 -0.005 0.000 1.085 212 F CA -0.793 57.089 58.000 -0.197 0.000 1.028 212 F CB 0.663 39.591 39.000 -0.119 0.000 1.177 212 F HN 0.321 nan 8.300 nan 0.000 0.487 213 Y N 2.239 122.679 120.300 0.233 0.000 2.411 213 Y HA 0.066 4.615 4.550 -0.001 0.000 0.333 213 Y C 1.337 177.337 175.900 0.167 0.000 1.186 213 Y CA -0.248 57.977 58.100 0.207 0.000 1.381 213 Y CB 0.540 39.021 38.460 0.035 0.000 1.273 213 Y HN 0.673 nan 8.280 nan 0.000 0.546 214 M N 0.483 120.283 119.600 0.333 0.000 2.394 214 M HA 0.045 4.524 4.480 -0.001 0.000 0.266 214 M C -0.491 175.931 176.300 0.203 0.000 1.098 214 M CA 1.228 56.666 55.300 0.229 0.000 1.149 214 M CB 0.378 33.087 32.600 0.182 0.000 1.369 214 M HN 0.780 nan 8.290 nan 0.000 0.450 215 T N -0.308 114.339 114.554 0.155 0.000 2.932 215 T HA 0.437 4.786 4.350 -0.001 0.000 0.318 215 T C -1.005 173.700 174.700 0.008 0.000 1.265 215 T CA -0.755 61.354 62.100 0.014 0.000 1.036 215 T CB 2.484 71.305 68.868 -0.080 0.000 1.209 215 T HN -0.151 nan 8.240 nan 0.000 0.484 216 V N 3.016 122.914 119.914 -0.026 0.000 2.328 216 V HA 0.661 4.780 4.120 -0.001 0.000 0.278 216 V C -1.014 175.045 176.094 -0.059 0.000 1.021 216 V CA -0.650 61.635 62.300 -0.026 0.000 0.838 216 V CB 0.486 32.328 31.823 0.032 0.000 0.999 216 V HN 0.824 nan 8.190 nan 0.000 0.447 217 F N 5.055 124.851 119.950 -0.257 0.000 2.547 217 F HA 0.625 5.151 4.527 -0.001 0.000 0.316 217 F C 0.197 175.793 175.800 -0.339 0.000 1.121 217 F CA -1.258 56.510 58.000 -0.386 0.000 0.911 217 F CB 2.287 41.021 39.000 -0.442 0.000 1.179 217 F HN 0.605 nan 8.300 nan 0.000 0.443 218 D N 3.729 123.512 120.400 -1.029 0.000 2.538 218 D HA 0.086 4.726 4.640 -0.001 0.000 0.231 218 D C 0.089 175.771 176.300 -1.030 0.000 1.229 218 D CA -0.048 53.485 54.000 -0.778 0.000 0.828 218 D CB 0.008 40.563 40.800 -0.407 0.000 1.035 218 D HN 0.614 nan 8.370 nan 0.000 0.495 219 K N 0.390 119.581 120.400 -2.016 0.000 3.016 219 K HA -0.181 4.138 4.320 -0.001 0.000 0.262 219 K C -0.509 175.694 176.600 -0.662 0.000 1.043 219 K CA 0.702 56.127 56.287 -1.438 0.000 0.761 219 K CB -1.264 30.874 32.500 -0.603 0.000 1.230 219 K HN 0.476 nan 8.250 nan 0.000 0.485 220 W N -1.433 119.493 121.300 -0.623 0.000 4.551 220 W HA -0.291 4.369 4.660 -0.001 0.000 0.343 220 W C 1.265 177.612 176.519 -0.286 0.000 1.269 220 W CA 1.161 58.299 57.345 -0.345 0.000 0.799 220 W CB -2.814 26.497 29.460 -0.248 0.000 2.352 220 W HN 0.464 nan 8.180 nan 0.000 1.462 221 S N -1.017 114.599 115.700 -0.139 0.000 2.486 221 S HA 0.114 4.584 4.470 -0.001 0.000 0.220 221 S C 1.268 175.865 174.600 -0.005 0.000 1.011 221 S CA 1.065 59.225 58.200 -0.066 0.000 0.921 221 S CB 0.136 63.277 63.200 -0.098 0.000 0.785 221 S HN 0.138 nan 8.310 nan 0.000 0.517 222 K N 0.581 120.967 120.400 -0.023 0.000 3.446 222 K HA -0.138 4.181 4.320 -0.001 0.000 0.312 222 K C -0.743 176.008 176.600 0.252 0.000 1.329 222 K CA 1.117 57.470 56.287 0.110 0.000 0.935 222 K CB -1.910 30.700 32.500 0.183 0.000 1.281 222 K HN 0.595 nan 8.250 nan 0.000 0.457 223 D N -0.380 120.088 120.400 0.113 0.000 2.232 223 D HA 0.182 4.821 4.640 -0.001 0.000 0.242 223 D C 1.209 177.563 176.300 0.090 0.000 1.093 223 D CA 0.346 54.395 54.000 0.081 0.000 0.845 223 D CB 1.268 42.074 40.800 0.009 0.000 1.124 223 D HN 0.164 nan 8.370 nan 0.000 0.467 224 T N 1.248 115.853 114.554 0.085 0.000 2.867 224 T HA -0.073 4.277 4.350 -0.001 0.000 0.268 224 T C 1.831 176.539 174.700 0.014 0.000 1.057 224 T CA 0.887 63.030 62.100 0.072 0.000 1.136 224 T CB -0.218 68.643 68.868 -0.013 0.000 0.874 224 T HN 0.324 nan 8.240 nan 0.000 0.466 225 A N 1.423 124.236 122.820 -0.011 0.000 2.125 225 A HA -0.059 4.260 4.320 -0.001 0.000 0.219 225 A C 2.282 179.838 177.584 -0.047 0.000 1.156 225 A CA 1.181 53.201 52.037 -0.029 0.000 0.671 225 A CB -0.624 18.359 19.000 -0.029 0.000 0.794 225 A HN 0.690 nan 8.150 nan 0.000 0.459 226 Q N -0.634 119.128 119.800 -0.062 0.000 2.392 226 Q HA 0.078 4.417 4.340 -0.001 0.000 0.203 226 Q C -0.101 175.811 176.000 -0.147 0.000 0.917 226 Q CA -0.204 55.529 55.803 -0.117 0.000 0.939 226 Q CB 0.275 28.919 28.738 -0.158 0.000 1.063 226 Q HN 0.565 nan 8.270 nan 0.000 0.516 227 R N 1.591 122.037 120.500 -0.091 0.000 2.404 227 R HA 0.143 4.483 4.340 -0.001 0.000 0.315 227 R C -0.446 175.803 176.300 -0.085 0.000 1.032 227 R CA 0.535 56.584 56.100 -0.086 0.000 0.992 227 R CB 0.342 30.638 30.300 -0.006 0.000 0.959 227 R HN 0.085 nan 8.270 nan 0.000 0.428 228 E N 2.180 122.323 120.200 -0.096 0.000 2.340 228 E HA 0.299 4.649 4.350 -0.001 0.000 0.273 228 E C -0.762 175.788 176.600 -0.084 0.000 0.891 228 E CA -0.729 55.619 56.400 -0.087 0.000 0.757 228 E CB 2.188 31.849 29.700 -0.065 0.000 1.231 228 E HN 0.394 nan 8.360 nan 0.000 0.439 229 I N 3.526 123.998 120.570 -0.164 0.000 2.452 229 I HA 0.222 4.392 4.170 -0.001 0.000 0.287 229 I C 0.027 176.102 176.117 -0.070 0.000 1.079 229 I CA 0.091 61.261 61.300 -0.217 0.000 1.387 229 I CB -0.282 37.377 38.000 -0.570 0.000 1.404 229 I HN 0.590 nan 8.210 nan 0.000 0.522 230 C N 3.697 123.058 119.300 0.101 0.000 3.253 230 C HA 0.899 5.358 4.460 -0.001 0.000 0.362 230 C C -0.383 174.763 174.990 0.260 0.000 1.487 230 C CA -0.961 58.215 59.018 0.263 0.000 1.179 230 C CB 0.902 28.765 27.740 0.205 0.000 1.660 230 C HN 0.816 nan 8.230 nan 0.000 0.438 231 A N -0.113 122.862 122.820 0.257 0.000 2.288 231 A HA 1.032 5.352 4.320 -0.001 0.000 0.328 231 A C -1.011 176.728 177.584 0.257 0.000 1.123 231 A CA -0.408 51.747 52.037 0.196 0.000 0.861 231 A CB 1.039 20.131 19.000 0.154 0.000 1.272 231 A HN 2.195 nan 8.150 nan 0.000 0.490 232 Y N -1.933 118.385 120.300 0.030 0.000 2.625 232 Y HA 0.801 5.351 4.550 -0.001 0.000 0.338 232 Y C -0.871 175.065 175.900 0.060 0.000 1.123 232 Y CA -0.945 57.155 58.100 0.001 0.000 1.046 232 Y CB 1.159 39.418 38.460 -0.335 0.000 1.299 232 Y HN 0.658 nan 8.280 nan 0.000 0.464 233 E N 1.152 121.463 120.200 0.185 0.000 2.340 233 E HA 0.523 4.872 4.350 -0.001 0.000 0.273 233 E C -1.169 175.328 176.600 -0.172 0.000 0.891 233 E CA -0.668 55.562 56.400 -0.282 0.000 0.757 233 E CB 2.495 32.006 29.700 -0.314 0.000 1.231 233 E HN 1.092 nan 8.360 nan 0.000 0.439 234 T N -1.701 112.635 114.554 -0.364 0.000 0.541 234 T HA -0.312 4.037 4.350 -0.001 0.000 0.774 234 T C 0.783 175.410 174.700 -0.122 0.000 0.992 234 T CA 0.969 63.038 62.100 -0.052 0.000 4.077 234 T CB -0.332 68.477 68.868 -0.097 0.000 2.303 234 T HN 0.780 nan 8.240 nan 0.000 0.398 235 Q N -0.379 119.074 119.800 -0.577 0.000 2.369 235 Q HA 0.112 4.452 4.340 -0.001 0.000 0.206 235 Q C 2.014 177.865 176.000 -0.249 0.000 0.963 235 Q CA 1.271 56.573 55.803 -0.835 0.000 0.894 235 Q CB -0.248 27.911 28.738 -0.965 0.000 0.965 235 Q HN 0.659 nan 8.270 nan 0.000 0.475 236 L N -0.942 120.166 121.223 -0.192 0.000 2.418 236 L HA 0.154 4.493 4.340 -0.001 0.000 0.218 236 L C 1.154 178.029 176.870 0.008 0.000 1.125 236 L CA 0.987 55.732 54.840 -0.159 0.000 0.835 236 L CB 0.133 41.940 42.059 -0.420 0.000 0.953 236 L HN 0.311 nan 8.230 nan 0.000 0.454 237 G N -0.394 108.472 108.800 0.110 0.000 2.256 237 G HA2 -0.304 3.656 3.960 -0.001 0.000 0.272 237 G HA3 -0.304 3.656 3.960 -0.001 0.000 0.272 237 G C -0.074 174.885 174.900 0.099 0.000 1.076 237 G CA -0.241 44.941 45.100 0.137 0.000 0.882 237 G HN 0.518 nan 8.290 nan 0.000 0.497 238 H N 0.541 119.675 119.070 0.108 0.000 2.975 238 H HA 0.321 4.877 4.556 -0.001 0.000 0.303 238 H C 0.860 176.061 175.328 -0.213 0.000 1.023 238 H CA 0.103 56.097 56.048 -0.090 0.000 1.473 238 H CB 0.658 30.355 29.762 -0.108 0.000 1.498 238 H HN 0.304 nan 8.280 nan 0.000 0.549 239 K N 3.472 123.762 120.400 -0.183 0.000 2.174 239 K HA 0.325 4.645 4.320 -0.001 0.000 0.275 239 K C -0.966 175.335 176.600 -0.499 0.000 1.015 239 K CA -0.199 56.000 56.287 -0.147 0.000 0.933 239 K CB 0.972 33.461 32.500 -0.019 0.000 1.025 239 K HN 0.310 nan 8.250 nan 0.000 0.463 240 F N 0.349 120.367 119.950 0.114 0.000 2.626 240 F HA 0.098 4.624 4.527 -0.001 0.000 0.311 240 F C 0.353 176.200 175.800 0.079 0.000 1.088 240 F CA -1.180 56.860 58.000 0.068 0.000 0.949 240 F CB 1.408 40.428 39.000 0.033 0.000 1.322 240 F HN 0.572 nan 8.300 nan 0.000 0.461 241 D N -1.278 119.268 120.400 0.242 0.000 2.370 241 D HA 0.015 4.655 4.640 -0.001 0.000 0.230 241 D C -0.160 175.967 176.300 -0.287 0.000 1.143 241 D CA -0.071 53.994 54.000 0.109 0.000 0.834 241 D CB -0.696 40.182 40.800 0.130 0.000 0.944 241 D HN 0.409 nan 8.370 nan 0.000 0.504 242 D N 0.804 121.114 120.400 -0.150 0.000 2.896 242 D HA -0.061 4.579 4.640 -0.001 0.000 0.240 242 D C 0.292 176.440 176.300 -0.252 0.000 1.193 242 D CA -0.741 53.083 54.000 -0.292 0.000 0.983 242 D CB -0.772 39.939 40.800 -0.148 0.000 1.074 242 D HN 0.394 nan 8.370 nan 0.000 0.496 243 Y N -1.235 119.032 120.300 -0.055 0.000 2.529 243 Y HA 0.209 4.758 4.550 -0.001 0.000 0.290 243 Y C 0.409 176.252 175.900 -0.095 0.000 1.177 243 Y CA -0.740 57.367 58.100 0.011 0.000 1.305 243 Y CB -0.688 37.868 38.460 0.159 0.000 1.047 243 Y HN -0.103 nan 8.280 nan 0.000 0.522 244 Q N 2.027 121.566 119.800 -0.435 0.000 2.281 244 Q HA 0.426 4.765 4.340 -0.001 0.000 0.267 244 Q C -0.157 175.571 176.000 -0.454 0.000 1.053 244 Q CA 0.318 55.633 55.803 -0.814 0.000 0.905 244 Q CB 1.016 28.525 28.738 -2.049 0.000 1.195 244 Q HN 0.450 nan 8.270 nan 0.000 0.398 245 A N 3.158 125.904 122.820 -0.124 0.000 2.410 245 A HA 0.544 4.864 4.320 -0.001 0.000 0.292 245 A C 0.736 178.341 177.584 0.035 0.000 1.232 245 A CA -0.030 52.014 52.037 0.011 0.000 0.893 245 A CB -0.204 18.864 19.000 0.114 0.000 1.131 245 A HN 0.743 nan 8.150 nan 0.000 0.530 246 G N 0.745 109.583 108.800 0.062 0.000 2.667 246 G HA2 0.308 4.267 3.960 -0.001 0.000 0.250 246 G HA3 0.308 4.267 3.960 -0.001 0.000 0.250 246 G C 0.609 175.522 174.900 0.022 0.000 1.212 246 G CA -0.442 44.715 45.100 0.095 0.000 0.874 246 G HN 0.644 nan 8.290 nan 0.000 0.561 247 F N -0.012 119.918 119.950 -0.032 0.000 2.120 247 F HA -0.187 4.339 4.527 -0.001 0.000 0.300 247 F C 2.938 178.623 175.800 -0.192 0.000 1.095 247 F CA 1.977 59.884 58.000 -0.154 0.000 1.249 247 F CB 0.195 39.018 39.000 -0.295 0.000 0.995 247 F HN 0.515 nan 8.300 nan 0.000 0.480 248 R N 0.324 120.836 120.500 0.020 0.000 2.240 248 R HA -0.019 4.320 4.340 -0.001 0.000 0.203 248 R C 0.890 177.170 176.300 -0.033 0.000 1.011 248 R CA 0.680 56.728 56.100 -0.086 0.000 1.007 248 R CB -0.543 29.677 30.300 -0.133 0.000 0.911 248 R HN 0.297 nan 8.270 nan 0.000 0.468 249 Q N 0.750 120.550 119.800 0.001 0.000 2.244 249 Q HA 0.234 4.573 4.340 -0.001 0.000 0.239 249 Q C 0.201 176.228 176.000 0.045 0.000 0.890 249 Q CA 0.258 56.073 55.803 0.020 0.000 0.964 249 Q CB 1.141 29.891 28.738 0.019 0.000 1.076 249 Q HN 0.671 nan 8.270 nan 0.000 0.447 250 G N -0.314 108.503 108.800 0.028 0.000 2.258 250 G HA2 -0.313 3.647 3.960 -0.001 0.000 0.233 250 G HA3 -0.313 3.647 3.960 -0.001 0.000 0.233 250 G C 0.855 175.719 174.900 -0.060 0.000 1.006 250 G CA -0.099 45.008 45.100 0.011 0.000 0.620 250 G HN 0.535 nan 8.290 nan 0.000 0.511 251 G N 0.765 109.550 108.800 -0.025 0.000 2.421 251 G HA2 0.202 4.161 3.960 -0.001 0.000 0.216 251 G HA3 0.202 4.161 3.960 -0.001 0.000 0.216 251 G C 1.838 176.721 174.900 -0.029 0.000 1.171 251 G CA 2.103 47.178 45.100 -0.040 0.000 0.775 251 G HN 1.489 nan 8.290 nan 0.000 0.543 252 G N 0.206 109.073 108.800 0.112 0.000 2.418 252 G HA2 -0.116 3.843 3.960 -0.001 0.000 0.217 252 G HA3 -0.116 3.843 3.960 -0.001 0.000 0.217 252 G C 1.722 176.613 174.900 -0.015 0.000 1.158 252 G CA 1.278 46.499 45.100 0.202 0.000 0.771 252 G HN 0.341 nan 8.290 nan 0.000 0.545 253 V N 1.287 121.147 119.914 -0.090 0.000 2.719 253 V HA 0.034 4.153 4.120 -0.001 0.000 0.252 253 V C 3.211 179.225 176.094 -0.133 0.000 1.065 253 V CA 1.459 63.674 62.300 -0.142 0.000 1.086 253 V CB -0.453 31.288 31.823 -0.137 0.000 0.700 253 V HN 0.457 nan 8.190 nan 0.000 0.467 254 A N 0.448 123.131 122.820 -0.229 0.000 1.908 254 A HA -0.189 4.130 4.320 -0.001 0.000 0.218 254 A C 2.171 179.574 177.584 -0.302 0.000 1.181 254 A CA 1.973 53.759 52.037 -0.418 0.000 0.627 254 A CB -0.489 17.918 19.000 -0.988 0.000 0.818 254 A HN 0.509 nan 8.150 nan 0.000 0.445 255 I N -0.477 119.995 120.570 -0.164 0.000 2.286 255 I HA -0.209 3.960 4.170 -0.001 0.000 0.245 255 I C 2.965 179.092 176.117 0.017 0.000 1.104 255 I CA 0.908 62.220 61.300 0.021 0.000 1.397 255 I CB -0.330 37.767 38.000 0.162 0.000 1.072 255 I HN 0.337 nan 8.210 nan 0.000 0.417 256 A N 0.872 123.692 122.820 0.000 0.000 1.883 256 A HA -0.222 4.098 4.320 -0.001 0.000 0.217 256 A C 2.545 180.247 177.584 0.196 0.000 1.186 256 A CA 2.119 54.186 52.037 0.051 0.000 0.624 256 A CB -1.004 17.933 19.000 -0.104 0.000 0.822 256 A HN 0.425 nan 8.150 nan 0.000 0.444 257 A N -0.458 122.458 122.820 0.161 0.000 1.877 257 A HA -0.054 4.266 4.320 -0.001 0.000 0.216 257 A C 2.217 179.800 177.584 -0.001 0.000 1.186 257 A CA 1.547 53.664 52.037 0.133 0.000 0.620 257 A CB -0.646 18.393 19.000 0.064 0.000 0.822 257 A HN 0.474 nan 8.150 nan 0.000 0.443 258 L N -0.849 120.359 121.223 -0.026 0.000 2.046 258 L HA -0.212 4.128 4.340 -0.001 0.000 0.208 258 L C 3.122 179.999 176.870 0.011 0.000 1.077 258 L CA 1.106 55.925 54.840 -0.034 0.000 0.747 258 L CB -0.513 41.576 42.059 0.049 0.000 0.896 258 L HN 0.459 nan 8.230 nan 0.000 0.432 259 A N -0.168 122.670 122.820 0.030 0.000 1.902 259 A HA -0.173 4.147 4.320 -0.001 0.000 0.217 259 A C 2.487 180.080 177.584 0.016 0.000 1.181 259 A CA 1.730 53.779 52.037 0.020 0.000 0.623 259 A CB -0.662 18.327 19.000 -0.019 0.000 0.818 259 A HN 0.421 nan 8.150 nan 0.000 0.443 260 A N -0.274 122.558 122.820 0.019 0.000 1.930 260 A HA 0.229 4.548 4.320 -0.001 0.000 0.217 260 A C 2.451 179.998 177.584 -0.062 0.000 1.175 260 A CA 1.822 53.844 52.037 -0.025 0.000 0.627 260 A CB -0.875 18.087 19.000 -0.063 0.000 0.815 260 A HN 1.025 nan 8.150 nan 0.000 0.443 261 A N 0.378 123.141 122.820 -0.096 0.000 1.969 261 A HA -0.051 4.269 4.320 -0.001 0.000 0.218 261 A C 2.379 179.968 177.584 0.008 0.000 1.169 261 A CA 2.010 53.955 52.037 -0.153 0.000 0.635 261 A CB -0.833 17.901 19.000 -0.443 0.000 0.810 261 A HN 0.991 nan 8.150 nan 0.000 0.445 262 S N -0.784 114.971 115.700 0.092 0.000 2.515 262 S HA -0.017 4.452 4.470 -0.001 0.000 0.231 262 S C 1.661 176.324 174.600 0.105 0.000 0.987 262 S CA 0.660 58.977 58.200 0.195 0.000 0.936 262 S CB -0.306 62.998 63.200 0.174 0.000 0.766 262 S HN 0.588 nan 8.310 nan 0.000 0.528 263 R N 0.060 120.590 120.500 0.051 0.000 2.297 263 R HA 0.357 4.697 4.340 -0.001 0.000 0.197 263 R C 0.223 176.539 176.300 0.027 0.000 0.943 263 R CA -0.055 56.060 56.100 0.025 0.000 1.038 263 R CB -0.127 30.171 30.300 -0.005 0.000 0.957 263 R HN 0.422 nan 8.270 nan 0.000 0.484 264 L N -1.052 120.197 121.223 0.044 0.000 2.466 264 L HA 0.136 4.476 4.340 -0.001 0.000 0.257 264 L C 1.766 178.674 176.870 0.063 0.000 1.189 264 L CA -0.099 54.764 54.840 0.039 0.000 0.813 264 L CB 0.834 42.916 42.059 0.039 0.000 1.118 264 L HN 0.127 nan 8.230 nan 0.000 0.471 265 G N 0.891 109.716 108.800 0.041 0.000 2.511 265 G HA2 0.094 4.053 3.960 -0.001 0.000 0.217 265 G HA3 0.094 4.053 3.960 -0.001 0.000 0.217 265 G C 0.294 175.227 174.900 0.055 0.000 1.133 265 G CA 0.776 45.901 45.100 0.043 0.000 0.792 265 G HN 0.422 nan 8.290 nan 0.000 0.539 266 V N -2.386 117.559 119.914 0.053 0.000 3.158 266 V HA 0.913 5.033 4.120 -0.001 0.000 0.315 266 V C -0.639 175.527 176.094 0.119 0.000 1.148 266 V CA -1.078 61.231 62.300 0.015 0.000 1.042 266 V CB 1.698 33.493 31.823 -0.047 0.000 1.101 266 V HN 0.536 nan 8.190 nan 0.000 0.448 267 H N -0.477 118.655 119.070 0.104 0.000 2.960 267 H HA 0.927 5.483 4.556 -0.001 0.000 0.338 267 H C 0.106 175.531 175.328 0.162 0.000 1.261 267 H CA -0.155 56.010 56.048 0.194 0.000 1.136 267 H CB 1.265 31.109 29.762 0.136 0.000 1.875 267 H HN 0.959 nan 8.280 nan 0.000 0.550 268 G N -0.810 108.267 108.800 0.462 0.000 2.882 268 G HA2 0.094 4.054 3.960 -0.001 0.000 0.164 268 G HA3 0.094 4.054 3.960 -0.001 0.000 0.164 268 G C 0.548 175.577 174.900 0.214 0.000 1.429 268 G CA -0.047 45.225 45.100 0.286 0.000 1.059 268 G HN 0.798 nan 8.290 nan 0.000 0.581 269 E N -1.362 118.858 120.200 0.035 0.000 2.204 269 E HA -0.061 4.289 4.350 -0.001 0.000 0.195 269 E C -0.299 176.023 176.600 -0.463 0.000 0.990 269 E CA 0.648 56.904 56.400 -0.241 0.000 0.821 269 E CB -0.058 29.392 29.700 -0.417 0.000 0.750 269 E HN 0.386 nan 8.360 nan 0.000 0.477 270 Y N 0.969 121.251 120.300 -0.030 0.000 2.457 270 Y HA 0.206 4.755 4.550 -0.001 0.000 0.333 270 Y C 0.305 175.819 175.900 -0.643 0.000 1.119 270 Y CA -1.417 56.497 58.100 -0.310 0.000 1.143 270 Y CB 0.871 39.120 38.460 -0.353 0.000 1.230 270 Y HN -0.010 nan 8.280 nan 0.000 0.469 271 D N -0.164 119.858 120.400 -0.629 0.000 2.451 271 D HA 0.117 4.757 4.640 -0.001 0.000 0.259 271 D C 0.317 176.191 176.300 -0.711 0.000 1.201 271 D CA -0.493 52.945 54.000 -0.938 0.000 1.028 271 D CB 0.616 40.905 40.800 -0.851 0.000 1.095 271 D HN 0.518 nan 8.370 nan 0.000 0.539 272 Q N -0.880 118.727 119.800 -0.322 0.000 2.124 272 Q HA -0.175 4.165 4.340 -0.001 0.000 0.202 272 Q C 1.994 177.967 176.000 -0.045 0.000 0.977 272 Q CA 1.617 57.407 55.803 -0.021 0.000 0.850 272 Q CB -0.227 28.561 28.738 0.083 0.000 0.901 272 Q HN 0.589 nan 8.270 nan 0.000 0.429 273 Q N 0.274 120.007 119.800 -0.111 0.000 2.119 273 Q HA -0.206 4.134 4.340 -0.001 0.000 0.201 273 Q C 1.749 177.702 176.000 -0.079 0.000 0.972 273 Q CA 1.249 57.012 55.803 -0.066 0.000 0.847 273 Q CB 0.087 28.785 28.738 -0.066 0.000 0.903 273 Q HN 0.059 nan 8.270 nan 0.000 0.433 274 K N -0.176 120.119 120.400 -0.176 0.000 2.097 274 K HA -0.162 4.158 4.320 -0.001 0.000 0.206 274 K C 1.653 178.198 176.600 -0.092 0.000 1.049 274 K CA 1.468 57.649 56.287 -0.177 0.000 0.933 274 K CB -0.384 31.971 32.500 -0.241 0.000 0.717 274 K HN 0.225 nan 8.250 nan 0.000 0.442 275 Y N 0.516 120.806 120.300 -0.016 0.000 2.145 275 Y HA -0.048 4.502 4.550 -0.001 0.000 0.286 275 Y C 2.494 178.400 175.900 0.009 0.000 1.145 275 Y CA 1.459 59.559 58.100 -0.000 0.000 1.148 275 Y CB -0.692 37.781 38.460 0.022 0.000 0.981 275 Y HN 0.092 nan 8.280 nan 0.000 0.507 276 R N 0.635 121.230 120.500 0.159 0.000 2.073 276 R HA -0.174 4.166 4.340 -0.001 0.000 0.234 276 R C 1.770 178.125 176.300 0.092 0.000 1.134 276 R CA 1.947 58.108 56.100 0.101 0.000 0.952 276 R CB -0.383 29.961 30.300 0.072 0.000 0.850 276 R HN 0.491 nan 8.270 nan 0.000 0.433 277 N N -0.249 118.491 118.700 0.067 0.000 2.188 277 N HA -0.120 4.619 4.740 -0.001 0.000 0.184 277 N C 1.734 177.283 175.510 0.065 0.000 1.018 277 N CA 0.830 53.919 53.050 0.066 0.000 0.858 277 N CB -0.084 38.417 38.487 0.023 0.000 0.989 277 N HN 0.263 nan 8.380 nan 0.000 0.426 278 A N 1.238 124.086 122.820 0.046 0.000 1.933 278 A HA -0.019 4.300 4.320 -0.001 0.000 0.218 278 A C 2.316 179.982 177.584 0.136 0.000 1.175 278 A CA 1.664 53.722 52.037 0.034 0.000 0.628 278 A CB -0.730 18.295 19.000 0.042 0.000 0.814 278 A HN 0.345 nan 8.150 nan 0.000 0.444 279 A N -0.238 122.681 122.820 0.166 0.000 1.855 279 A HA -0.139 4.181 4.320 -0.001 0.000 0.215 279 A C 1.931 179.628 177.584 0.189 0.000 1.191 279 A CA 1.524 53.670 52.037 0.181 0.000 0.613 279 A CB -0.607 18.453 19.000 0.101 0.000 0.829 279 A HN 0.590 nan 8.150 nan 0.000 0.442 280 E N -0.047 120.261 120.200 0.180 0.000 2.070 280 E HA -0.223 4.126 4.350 -0.001 0.000 0.197 280 E C 1.845 178.689 176.600 0.407 0.000 1.004 280 E CA 1.392 57.982 56.400 0.316 0.000 0.805 280 E CB -0.248 29.658 29.700 0.343 0.000 0.744 280 E HN 0.536 nan 8.360 nan 0.000 0.451 281 N N 0.158 119.016 118.700 0.264 0.000 2.142 281 N HA -0.102 4.637 4.740 -0.001 0.000 0.186 281 N C 1.832 177.466 175.510 0.207 0.000 1.023 281 N CA 1.234 54.417 53.050 0.222 0.000 0.852 281 N CB -0.749 37.777 38.487 0.064 0.000 0.998 281 N HN 0.222 nan 8.380 nan 0.000 0.424 282 G N -0.208 108.678 108.800 0.143 0.000 2.440 282 G HA2 -0.299 3.661 3.960 -0.001 0.000 0.218 282 G HA3 -0.299 3.661 3.960 -0.001 0.000 0.218 282 G C 1.532 176.560 174.900 0.213 0.000 1.154 282 G CA 0.684 45.877 45.100 0.155 0.000 0.767 282 G HN 0.335 nan 8.290 nan 0.000 0.552 283 Y N 0.305 120.667 120.300 0.104 0.000 2.089 283 Y HA -0.171 4.379 4.550 -0.001 0.000 0.282 283 Y C 2.606 178.485 175.900 -0.034 0.000 1.139 283 Y CA 1.873 59.966 58.100 -0.011 0.000 1.123 283 Y CB -0.405 37.938 38.460 -0.194 0.000 0.980 283 Y HN 0.298 nan 8.280 nan 0.000 0.493 284 W N -1.022 120.493 121.300 0.358 0.000 2.425 284 W HA -0.130 4.529 4.660 -0.001 0.000 0.277 284 W C 2.514 179.110 176.519 0.128 0.000 1.231 284 W CA 1.406 58.887 57.345 0.226 0.000 1.248 284 W CB -0.664 28.959 29.460 0.272 0.000 1.117 284 W HN 0.282 nan 8.180 nan 0.000 0.568 285 H N 0.197 119.416 119.070 0.248 0.000 2.353 285 H HA -0.145 4.410 4.556 -0.001 0.000 0.300 285 H C 2.024 177.437 175.328 0.142 0.000 1.090 285 H CA 2.130 58.315 56.048 0.228 0.000 1.327 285 H CB -0.305 29.556 29.762 0.166 0.000 1.383 285 H HN 0.065 nan 8.280 nan 0.000 0.508 286 L N 0.035 121.243 121.223 -0.025 0.000 2.156 286 L HA -0.096 4.243 4.340 -0.001 0.000 0.208 286 L C 2.464 179.181 176.870 -0.256 0.000 1.095 286 L CA 0.738 55.385 54.840 -0.323 0.000 0.770 286 L CB -0.243 41.228 42.059 -0.980 0.000 0.914 286 L HN 0.259 nan 8.230 nan 0.000 0.439 287 K N -0.069 120.240 120.400 -0.151 0.000 2.103 287 K HA -0.190 4.129 4.320 -0.001 0.000 0.207 287 K C 1.950 178.537 176.600 -0.022 0.000 1.048 287 K CA 1.162 57.462 56.287 0.022 0.000 0.930 287 K CB 0.040 32.592 32.500 0.087 0.000 0.716 287 K HN 0.302 nan 8.250 nan 0.000 0.444 288 E N -0.252 119.873 120.200 -0.124 0.000 2.033 288 E HA -0.096 4.253 4.350 -0.001 0.000 0.189 288 E C 1.746 178.037 176.600 -0.516 0.000 0.979 288 E CA 1.113 57.301 56.400 -0.353 0.000 0.802 288 E CB 0.084 29.456 29.700 -0.547 0.000 0.763 288 E HN 0.446 nan 8.360 nan 0.000 0.449 289 H N -0.812 118.019 119.070 -0.400 0.000 2.705 289 H HA 0.116 4.671 4.556 -0.001 0.000 0.269 289 H C 1.597 176.488 175.328 -0.728 0.000 0.998 289 H CA -0.021 55.658 56.048 -0.615 0.000 1.193 289 H CB 0.412 29.647 29.762 -0.879 0.000 1.485 289 H HN 0.077 nan 8.280 nan 0.000 0.521 290 N N 1.565 120.059 118.700 -0.344 0.000 2.036 290 N HA -0.191 4.548 4.740 -0.001 0.000 0.199 290 N C 2.086 177.476 175.510 -0.199 0.000 1.036 290 N CA 3.051 55.965 53.050 -0.227 0.000 0.870 290 N CB -0.315 38.166 38.487 -0.011 0.000 1.055 290 N HN 0.414 nan 8.380 nan 0.000 0.436 291 T N -2.284 112.179 114.554 -0.151 0.000 2.929 291 T HA -0.113 4.237 4.350 -0.001 0.000 0.271 291 T C 1.655 176.277 174.700 -0.130 0.000 1.085 291 T CA 1.141 63.179 62.100 -0.102 0.000 1.125 291 T CB -0.418 68.407 68.868 -0.072 0.000 0.874 291 T HN 0.362 nan 8.240 nan 0.000 0.494 292 Q N -0.362 119.292 119.800 -0.242 0.000 2.291 292 Q HA -0.032 4.308 4.340 -0.001 0.000 0.205 292 Q C 1.389 177.363 176.000 -0.044 0.000 0.970 292 Q CA 1.156 56.840 55.803 -0.199 0.000 0.876 292 Q CB -0.186 28.376 28.738 -0.293 0.000 0.935 292 Q HN 0.645 nan 8.270 nan 0.000 0.455 293 Y N -0.221 120.023 120.300 -0.093 0.000 2.509 293 Y HA 0.184 4.733 4.550 -0.001 0.000 0.270 293 Y C 0.691 176.529 175.900 -0.103 0.000 1.103 293 Y CA -0.336 57.691 58.100 -0.122 0.000 1.278 293 Y CB 0.121 38.506 38.460 -0.125 0.000 1.087 293 Y HN -0.032 nan 8.280 nan 0.000 0.542 294 L N 1.084 122.338 121.223 0.051 0.000 2.331 294 L HA 0.150 4.489 4.340 -0.001 0.000 0.278 294 L C 0.849 177.692 176.870 -0.045 0.000 1.106 294 L CA -0.190 54.642 54.840 -0.014 0.000 0.824 294 L CB 0.646 42.684 42.059 -0.035 0.000 1.142 294 L HN 0.039 nan 8.230 nan 0.000 0.443 295 N N 1.521 120.180 118.700 -0.068 0.000 2.166 295 N HA -0.178 4.562 4.740 -0.001 0.000 0.186 295 N C 0.888 176.352 175.510 -0.077 0.000 1.019 295 N CA 1.295 54.302 53.050 -0.073 0.000 0.856 295 N CB -0.097 38.348 38.487 -0.070 0.000 0.993 295 N HN 0.727 nan 8.380 nan 0.000 0.426 296 D N -1.495 118.848 120.400 -0.096 0.000 2.368 296 D HA 0.200 4.840 4.640 -0.001 0.000 0.218 296 D C 1.097 177.359 176.300 -0.064 0.000 1.112 296 D CA 0.031 53.982 54.000 -0.082 0.000 0.834 296 D CB -0.482 40.251 40.800 -0.111 0.000 0.953 296 D HN 0.169 nan 8.370 nan 0.000 0.505 297 G N 0.328 109.091 108.800 -0.061 0.000 2.180 297 G HA2 -0.355 3.605 3.960 -0.001 0.000 0.263 297 G HA3 -0.355 3.605 3.960 -0.001 0.000 0.263 297 G C 0.012 174.887 174.900 -0.042 0.000 0.989 297 G CA 0.603 45.673 45.100 -0.050 0.000 0.692 297 G HN 0.585 nan 8.290 nan 0.000 0.526 298 E N 0.435 120.605 120.200 -0.049 0.000 2.218 298 E HA 0.398 4.748 4.350 -0.001 0.000 0.263 298 E C 0.002 176.584 176.600 -0.031 0.000 0.879 298 E CA -0.686 55.697 56.400 -0.029 0.000 0.762 298 E CB 0.831 30.521 29.700 -0.016 0.000 1.166 298 E HN 0.467 nan 8.360 nan 0.000 0.415 299 E N 2.907 123.109 120.200 0.004 0.000 2.384 299 E HA 0.038 4.388 4.350 -0.001 0.000 0.266 299 E C -0.169 176.440 176.600 0.016 0.000 1.012 299 E CA 0.129 56.541 56.400 0.020 0.000 0.901 299 E CB 0.547 30.301 29.700 0.090 0.000 0.967 299 E HN 0.486 nan 8.360 nan 0.000 0.435 300 N N 2.116 120.806 118.700 -0.017 0.000 3.100 300 N HA 0.150 4.889 4.740 -0.001 0.000 0.344 300 N C 0.637 176.105 175.510 -0.071 0.000 1.413 300 N CA -0.747 52.311 53.050 0.014 0.000 0.752 300 N CB 0.208 38.759 38.487 0.106 0.000 1.519 300 N HN 0.467 nan 8.380 nan 0.000 0.620 301 I N -0.160 120.365 120.570 -0.074 0.000 2.264 301 I HA -0.182 3.988 4.170 -0.001 0.000 0.248 301 I C 1.316 177.113 176.117 -0.533 0.000 1.111 301 I CA 1.387 62.556 61.300 -0.218 0.000 1.382 301 I CB -0.128 37.744 38.000 -0.213 0.000 1.060 301 I HN 0.498 nan 8.210 nan 0.000 0.418 302 I N 0.717 120.964 120.570 -0.539 0.000 2.252 302 I HA -0.295 3.875 4.170 -0.001 0.000 0.245 302 I C 1.845 177.461 176.117 -0.835 0.000 1.102 302 I CA 1.678 62.404 61.300 -0.956 0.000 1.385 302 I CB -0.742 37.041 38.000 -0.361 0.000 1.064 302 I HN 0.219 nan 8.210 nan 0.000 0.414 303 D N 0.933 121.055 120.400 -0.464 0.000 2.149 303 D HA -0.189 4.451 4.640 -0.001 0.000 0.198 303 D C 2.093 177.972 176.300 -0.702 0.000 0.990 303 D CA 1.236 54.983 54.000 -0.422 0.000 0.839 303 D CB -0.066 40.612 40.800 -0.203 0.000 0.948 303 D HN 0.406 nan 8.370 nan 0.000 0.460 304 E N -0.562 119.315 120.200 -0.539 0.000 2.046 304 E HA -0.154 4.195 4.350 -0.001 0.000 0.190 304 E C 2.021 178.362 176.600 -0.432 0.000 0.982 304 E CA 0.775 56.940 56.400 -0.391 0.000 0.800 304 E CB -0.157 29.511 29.700 -0.054 0.000 0.756 304 E HN 0.561 nan 8.360 nan 0.000 0.449 305 Y N -0.535 119.536 120.300 -0.381 0.000 2.293 305 Y HA -0.107 4.442 4.550 -0.001 0.000 0.291 305 Y C 2.094 177.746 175.900 -0.413 0.000 1.137 305 Y CA 0.215 58.084 58.100 -0.384 0.000 1.202 305 Y CB -1.054 37.161 38.460 -0.408 0.000 0.990 305 Y HN -0.010 nan 8.280 nan 0.000 0.537 306 C N 1.255 120.300 119.300 -0.425 0.000 2.446 306 C HA 0.037 4.496 4.460 -0.001 0.000 0.277 306 C C 3.197 177.892 174.990 -0.490 0.000 1.275 306 C CA 1.285 60.096 59.018 -0.344 0.000 1.727 306 C CB -1.543 26.018 27.740 -0.298 0.000 2.010 306 C HN 0.769 nan 8.230 nan 0.000 0.486 307 A N -0.063 122.178 122.820 -0.965 0.000 2.015 307 A HA -0.059 4.261 4.320 -0.001 0.000 0.219 307 A C 1.993 179.028 177.584 -0.914 0.000 1.163 307 A CA 1.178 52.340 52.037 -1.458 0.000 0.646 307 A CB -0.476 16.591 19.000 -3.222 0.000 0.806 307 A HN 0.503 nan 8.150 nan 0.000 0.448 308 L N -0.277 120.573 121.223 -0.621 0.000 2.056 308 L HA -0.038 4.302 4.340 -0.001 0.000 0.207 308 L C 2.201 178.985 176.870 -0.144 0.000 1.078 308 L CA 1.506 56.215 54.840 -0.219 0.000 0.749 308 L CB -0.568 41.426 42.059 -0.108 0.000 0.901 308 L HN 0.388 nan 8.230 nan 0.000 0.433 309 L N -0.591 120.505 121.223 -0.212 0.000 1.989 309 L HA -0.238 4.101 4.340 -0.001 0.000 0.211 309 L C 2.704 179.495 176.870 -0.131 0.000 1.071 309 L CA 1.380 56.097 54.840 -0.205 0.000 0.749 309 L CB -1.015 40.796 42.059 -0.413 0.000 0.890 309 L HN 0.401 nan 8.230 nan 0.000 0.431 310 A N 0.479 123.206 122.820 -0.154 0.000 1.869 310 A HA -0.309 4.010 4.320 -0.001 0.000 0.218 310 A C 2.513 180.002 177.584 -0.159 0.000 1.203 310 A CA 2.852 54.846 52.037 -0.072 0.000 0.638 310 A CB -1.050 18.011 19.000 0.102 0.000 0.831 310 A HN 0.566 nan 8.150 nan 0.000 0.450 311 S N -0.729 114.863 115.700 -0.180 0.000 2.383 311 S HA -0.104 4.365 4.470 -0.001 0.000 0.227 311 S C 1.752 176.343 174.600 -0.014 0.000 1.026 311 S CA 1.384 59.464 58.200 -0.200 0.000 0.981 311 S CB -0.948 62.259 63.200 0.011 0.000 0.818 311 S HN 0.265 nan 8.310 nan 0.000 0.472 312 V N 2.367 122.315 119.914 0.057 0.000 2.343 312 V HA -0.114 4.006 4.120 -0.001 0.000 0.247 312 V C 2.925 179.111 176.094 0.154 0.000 1.051 312 V CA 1.965 64.359 62.300 0.157 0.000 1.036 312 V CB -0.648 31.275 31.823 0.167 0.000 0.654 312 V HN 0.476 nan 8.190 nan 0.000 0.451 313 E N -0.213 120.035 120.200 0.079 0.000 2.152 313 E HA -0.075 4.274 4.350 -0.001 0.000 0.192 313 E C 2.216 178.793 176.600 -0.039 0.000 0.983 313 E CA 0.777 57.220 56.400 0.072 0.000 0.818 313 E CB -0.167 29.608 29.700 0.124 0.000 0.758 313 E HN 0.505 nan 8.360 nan 0.000 0.467 314 L N 0.045 121.157 121.223 -0.185 0.000 2.083 314 L HA -0.156 4.184 4.340 -0.001 0.000 0.209 314 L C 2.417 179.106 176.870 -0.302 0.000 1.083 314 L CA 0.870 55.427 54.840 -0.470 0.000 0.752 314 L CB -0.367 41.032 42.059 -1.099 0.000 0.899 314 L HN 0.065 nan 8.230 nan 0.000 0.433 315 F N 1.006 120.871 119.950 -0.141 0.000 2.102 315 F HA -0.220 4.307 4.527 -0.001 0.000 0.298 315 F C 2.460 178.294 175.800 0.057 0.000 1.105 315 F CA 1.608 59.656 58.000 0.080 0.000 1.239 315 F CB -0.155 38.926 39.000 0.136 0.000 0.991 315 F HN -0.130 nan 8.300 nan 0.000 0.474 316 K N -0.007 120.368 120.400 -0.041 0.000 2.147 316 K HA -0.091 4.228 4.320 -0.001 0.000 0.205 316 K C 2.227 178.743 176.600 -0.141 0.000 1.049 316 K CA 1.129 57.344 56.287 -0.119 0.000 0.936 316 K CB -0.467 32.047 32.500 0.024 0.000 0.722 316 K HN 0.366 nan 8.250 nan 0.000 0.446 317 A N 1.141 123.901 122.820 -0.100 0.000 1.898 317 A HA -0.102 4.217 4.320 -0.001 0.000 0.214 317 A C 2.251 179.796 177.584 -0.065 0.000 1.183 317 A CA 1.871 53.867 52.037 -0.068 0.000 0.622 317 A CB -0.525 18.447 19.000 -0.048 0.000 0.824 317 A HN 0.435 nan 8.150 nan 0.000 0.444 318 T N -5.440 109.074 114.554 -0.067 0.000 3.039 318 T HA 0.119 4.468 4.350 -0.001 0.000 0.250 318 T C 0.906 175.588 174.700 -0.030 0.000 1.052 318 T CA 0.863 62.978 62.100 0.024 0.000 1.125 318 T CB 0.084 69.079 68.868 0.211 0.000 0.908 318 T HN 0.287 nan 8.240 nan 0.000 0.473 319 K N 0.752 121.026 120.400 -0.209 0.000 3.407 319 K HA -0.136 4.183 4.320 -0.001 0.000 0.312 319 K C -0.634 175.941 176.600 -0.042 0.000 1.302 319 K CA 0.777 56.849 56.287 -0.357 0.000 0.931 319 K CB -2.069 30.297 32.500 -0.222 0.000 1.257 319 K HN 0.704 nan 8.250 nan 0.000 0.454 320 E N 0.662 120.965 120.200 0.172 0.000 2.257 320 E HA 0.080 4.430 4.350 -0.001 0.000 0.278 320 E C 1.000 177.820 176.600 0.367 0.000 1.049 320 E CA -0.010 56.536 56.400 0.242 0.000 0.876 320 E CB 0.602 30.441 29.700 0.232 0.000 1.035 320 E HN 0.030 nan 8.360 nan 0.000 0.419 321 T N 3.483 118.206 114.554 0.281 0.000 2.803 321 T HA -0.213 4.137 4.350 -0.001 0.000 0.269 321 T C 1.768 176.567 174.700 0.166 0.000 1.052 321 T CA 1.544 63.811 62.100 0.278 0.000 1.136 321 T CB -0.116 68.853 68.868 0.168 0.000 0.864 321 T HN 0.541 nan 8.240 nan 0.000 0.467 322 R N -0.115 120.424 120.500 0.066 0.000 2.159 322 R HA -0.139 4.201 4.340 -0.001 0.000 0.237 322 R C 1.711 178.034 176.300 0.039 0.000 1.131 322 R CA 1.642 57.743 56.100 0.002 0.000 0.982 322 R CB -0.781 29.463 30.300 -0.093 0.000 0.868 322 R HN 0.367 nan 8.270 nan 0.000 0.453 323 Y N 0.680 121.152 120.300 0.286 0.000 2.286 323 Y HA -0.020 4.530 4.550 -0.001 0.000 0.293 323 Y C 2.097 178.056 175.900 0.099 0.000 1.124 323 Y CA 0.413 58.636 58.100 0.205 0.000 1.178 323 Y CB -0.470 38.139 38.460 0.249 0.000 1.010 323 Y HN 0.038 nan 8.280 nan 0.000 0.536 324 L N 0.435 121.722 121.223 0.107 0.000 2.079 324 L HA -0.177 4.162 4.340 -0.001 0.000 0.210 324 L C 2.033 178.886 176.870 -0.029 0.000 1.081 324 L CA 1.904 56.601 54.840 -0.239 0.000 0.752 324 L CB -0.570 41.145 42.059 -0.572 0.000 0.896 324 L HN 0.097 nan 8.230 nan 0.000 0.433 325 E N -0.300 119.916 120.200 0.027 0.000 2.106 325 E HA -0.166 4.184 4.350 -0.001 0.000 0.192 325 E C 2.084 178.706 176.600 0.036 0.000 0.984 325 E CA 0.882 57.300 56.400 0.029 0.000 0.806 325 E CB -0.162 29.559 29.700 0.035 0.000 0.750 325 E HN 0.564 nan 8.360 nan 0.000 0.458 326 E N 0.664 120.931 120.200 0.111 0.000 2.110 326 E HA -0.085 4.265 4.350 -0.001 0.000 0.193 326 E C 2.149 178.835 176.600 0.145 0.000 0.988 326 E CA 0.647 57.135 56.400 0.147 0.000 0.804 326 E CB -0.191 29.686 29.700 0.295 0.000 0.745 326 E HN 0.068 nan 8.360 nan 0.000 0.458 327 S N 0.701 116.487 115.700 0.143 0.000 2.368 327 S HA -0.073 4.397 4.470 -0.001 0.000 0.224 327 S C 1.895 176.445 174.600 -0.083 0.000 1.029 327 S CA 0.726 59.003 58.200 0.129 0.000 0.988 327 S CB -0.061 63.262 63.200 0.204 0.000 0.838 327 S HN 0.246 nan 8.310 nan 0.000 0.462 328 R N 0.802 121.261 120.500 -0.067 0.000 2.081 328 R HA -0.036 4.304 4.340 -0.001 0.000 0.235 328 R C 2.403 178.567 176.300 -0.227 0.000 1.131 328 R CA 1.148 57.139 56.100 -0.182 0.000 0.960 328 R CB -0.675 29.609 30.300 -0.028 0.000 0.856 328 R HN 0.344 nan 8.270 nan 0.000 0.436 329 L N -0.003 121.091 121.223 -0.215 0.000 1.970 329 L HA -0.191 4.149 4.340 -0.001 0.000 0.212 329 L C 1.962 178.608 176.870 -0.372 0.000 1.071 329 L CA 1.789 56.421 54.840 -0.346 0.000 0.751 329 L CB -0.301 41.456 42.059 -0.503 0.000 0.889 329 L HN 0.201 nan 8.230 nan 0.000 0.432 330 W N -0.569 120.628 121.300 -0.172 0.000 2.363 330 W HA -0.130 4.530 4.660 -0.001 0.000 0.296 330 W C 2.611 178.983 176.519 -0.245 0.000 1.212 330 W CA 0.806 58.027 57.345 -0.207 0.000 1.260 330 W CB -0.469 28.861 29.460 -0.217 0.000 1.131 330 W HN 0.301 nan 8.180 nan 0.000 0.530 331 A N -0.028 122.699 122.820 -0.155 0.000 1.883 331 A HA -0.248 4.071 4.320 -0.001 0.000 0.217 331 A C 1.987 179.456 177.584 -0.193 0.000 1.186 331 A CA 1.538 53.381 52.037 -0.323 0.000 0.624 331 A CB -0.721 17.719 19.000 -0.934 0.000 0.822 331 A HN 0.236 nan 8.150 nan 0.000 0.444 332 Q N -0.559 119.127 119.800 -0.191 0.000 2.172 332 Q HA -0.061 4.278 4.340 -0.001 0.000 0.200 332 Q C 2.197 178.151 176.000 -0.077 0.000 0.964 332 Q CA 1.059 56.790 55.803 -0.121 0.000 0.855 332 Q CB -0.279 28.384 28.738 -0.125 0.000 0.918 332 Q HN 0.687 nan 8.270 nan 0.000 0.444 333 R N 0.088 120.541 120.500 -0.078 0.000 2.092 333 R HA -0.085 4.254 4.340 -0.001 0.000 0.231 333 R C 2.251 178.560 176.300 0.015 0.000 1.119 333 R CA 0.691 56.770 56.100 -0.034 0.000 0.970 333 R CB -0.268 30.013 30.300 -0.031 0.000 0.864 333 R HN 0.103 nan 8.270 nan 0.000 0.440 334 L N 0.612 121.848 121.223 0.022 0.000 2.093 334 L HA -0.091 4.249 4.340 -0.001 0.000 0.208 334 L C 2.035 178.989 176.870 0.140 0.000 1.085 334 L CA 1.409 56.267 54.840 0.030 0.000 0.755 334 L CB -0.281 41.758 42.059 -0.032 0.000 0.904 334 L HN -0.110 nan 8.230 nan 0.000 0.435 335 V N 0.105 120.072 119.914 0.088 0.000 2.392 335 V HA -0.287 3.832 4.120 -0.001 0.000 0.249 335 V C 2.638 178.765 176.094 0.055 0.000 1.059 335 V CA 1.590 63.948 62.300 0.096 0.000 1.051 335 V CB -1.003 30.826 31.823 0.010 0.000 0.658 335 V HN 0.602 nan 8.190 nan 0.000 0.455 336 A N -0.691 122.146 122.820 0.028 0.000 2.209 336 A HA -0.087 4.233 4.320 -0.001 0.000 0.212 336 A C 2.141 179.726 177.584 0.002 0.000 1.158 336 A CA 0.694 52.726 52.037 -0.008 0.000 0.742 336 A CB -0.317 18.672 19.000 -0.017 0.000 0.790 336 A HN 0.411 nan 8.150 nan 0.000 0.472 337 R N -0.002 120.555 120.500 0.095 0.000 2.193 337 R HA 0.005 4.344 4.340 -0.001 0.000 0.213 337 R C 0.883 177.193 176.300 0.016 0.000 1.055 337 R CA 0.283 56.462 56.100 0.132 0.000 0.995 337 R CB -0.557 29.907 30.300 0.273 0.000 0.893 337 R HN 0.732 nan 8.270 nan 0.000 0.459 338 Q N 0.937 120.639 119.800 -0.163 0.000 2.286 338 Q HA 0.242 4.581 4.340 -0.001 0.000 0.267 338 Q C -0.622 175.107 176.000 -0.451 0.000 1.028 338 Q CA 0.425 55.882 55.803 -0.576 0.000 0.901 338 Q CB 0.515 28.789 28.738 -0.772 0.000 1.183 338 Q HN 0.012 nan 8.270 nan 0.000 0.392 339 M N 1.161 120.362 119.600 -0.666 0.000 2.664 339 M HA 0.471 4.951 4.480 -0.001 0.000 0.279 339 M C -1.038 174.926 176.300 -0.560 0.000 1.275 339 M CA -0.812 54.144 55.300 -0.573 0.000 0.829 339 M CB 2.799 35.027 32.600 -0.620 0.000 1.727 339 M HN 0.444 nan 8.290 nan 0.000 0.459 340 S N 0.201 115.780 115.700 -0.203 0.000 2.568 340 S HA 0.734 5.203 4.470 -0.001 0.000 0.293 340 S C -1.398 173.336 174.600 0.222 0.000 1.089 340 S CA -0.819 57.394 58.200 0.021 0.000 0.945 340 S CB 1.885 65.017 63.200 -0.112 0.000 1.077 340 S HN 0.759 nan 8.310 nan 0.000 0.485 341 D N 0.377 120.939 120.400 0.270 0.000 2.958 341 D HA 0.377 5.016 4.640 -0.001 0.000 0.306 341 D C 0.539 176.871 176.300 0.053 0.000 1.226 341 D CA -0.547 53.559 54.000 0.176 0.000 1.032 341 D CB -0.167 40.774 40.800 0.236 0.000 1.400 341 D HN 0.274 nan 8.370 nan 0.000 0.587 342 E N -0.621 119.598 120.200 0.032 0.000 2.110 342 E HA -0.115 4.235 4.350 -0.001 0.000 0.193 342 E C 1.894 178.471 176.600 -0.038 0.000 0.988 342 E CA 1.775 58.173 56.400 -0.005 0.000 0.804 342 E CB 0.002 29.703 29.700 0.001 0.000 0.745 342 E HN 0.448 nan 8.360 nan 0.000 0.458 343 Q N -0.916 118.848 119.800 -0.059 0.000 2.107 343 Q HA 0.120 4.459 4.340 -0.001 0.000 0.195 343 Q C 0.030 175.900 176.000 -0.216 0.000 0.964 343 Q CA 0.543 56.268 55.803 -0.131 0.000 0.833 343 Q CB 0.704 29.364 28.738 -0.130 0.000 0.910 343 Q HN 0.147 nan 8.270 nan 0.000 0.465 344 I N 1.294 121.694 120.570 -0.284 0.000 2.509 344 I HA 0.253 4.423 4.170 -0.001 0.000 0.293 344 I C -0.464 175.618 176.117 -0.059 0.000 1.020 344 I CA -0.637 60.495 61.300 -0.279 0.000 1.088 344 I CB 1.775 39.371 38.000 -0.673 0.000 1.267 344 I HN 0.111 nan 8.210 nan 0.000 0.430 345 Q N 4.335 124.074 119.800 -0.101 0.000 2.256 345 Q HA 0.295 4.634 4.340 -0.001 0.000 0.254 345 Q C -0.310 175.572 176.000 -0.197 0.000 0.916 345 Q CA -0.205 55.426 55.803 -0.288 0.000 0.932 345 Q CB 0.633 29.118 28.738 -0.422 0.000 1.207 345 Q HN 0.632 nan 8.270 nan 0.000 0.426 346 H N -0.022 118.990 119.070 -0.096 0.000 2.839 346 H HA -0.223 4.333 4.556 -0.001 0.000 0.298 346 H C -0.370 174.568 175.328 -0.650 0.000 1.224 346 H CA 0.384 56.234 56.048 -0.329 0.000 1.144 346 H CB -2.335 27.278 29.762 -0.248 0.000 1.372 346 H HN 0.570 nan 8.280 nan 0.000 0.408 347 F N -1.648 117.941 119.950 -0.602 0.000 2.444 347 F HA 0.390 4.916 4.527 -0.001 0.000 0.331 347 F C 0.445 175.856 175.800 -0.649 0.000 1.167 347 F CA -1.247 56.167 58.000 -0.976 0.000 1.262 347 F CB 0.582 39.419 39.000 -0.272 0.000 1.196 347 F HN 0.021 nan 8.300 nan 0.000 0.583 348 W N 2.050 123.185 121.300 -0.275 0.000 2.322 348 W HA 0.452 5.111 4.660 -0.001 0.000 0.307 348 W C -0.191 176.397 176.519 0.116 0.000 1.220 348 W CA -0.705 56.581 57.345 -0.097 0.000 1.210 348 W CB 1.372 30.879 29.460 0.079 0.000 1.223 348 W HN 0.721 nan 8.180 nan 0.000 0.511 349 S N 1.864 117.686 115.700 0.204 0.000 2.508 349 S HA 0.641 5.111 4.470 -0.001 0.000 0.284 349 S C 0.554 175.290 174.600 0.227 0.000 1.192 349 S CA -0.420 57.922 58.200 0.238 0.000 1.070 349 S CB 1.870 65.111 63.200 0.068 0.000 1.004 349 S HN 0.616 nan 8.310 nan 0.000 0.493 350 A N 2.871 125.811 122.820 0.200 0.000 1.903 350 A HA 0.106 4.426 4.320 -0.001 0.000 0.213 350 A C 1.138 178.808 177.584 0.143 0.000 1.185 350 A CA 0.828 52.958 52.037 0.155 0.000 0.628 350 A CB -0.919 18.107 19.000 0.044 0.000 0.830 350 A HN 0.949 nan 8.150 nan 0.000 0.446 351 N N -1.170 117.562 118.700 0.054 0.000 2.495 351 N HA 0.093 4.833 4.740 -0.001 0.000 0.294 351 N C 0.731 176.292 175.510 0.086 0.000 1.276 351 N CA -0.198 52.927 53.050 0.124 0.000 0.973 351 N CB 0.054 38.604 38.487 0.105 0.000 1.143 351 N HN 0.176 nan 8.380 nan 0.000 0.589 352 Q N -0.676 119.170 119.800 0.076 0.000 2.046 352 Q HA -0.150 4.189 4.340 -0.001 0.000 0.200 352 Q C -0.119 175.902 176.000 0.035 0.000 0.975 352 Q CA 1.937 57.769 55.803 0.048 0.000 0.836 352 Q CB -0.274 28.488 28.738 0.040 0.000 0.896 352 Q HN 0.864 nan 8.270 nan 0.000 0.428 353 D N -2.244 118.183 120.400 0.045 0.000 2.368 353 D HA 0.127 4.766 4.640 -0.001 0.000 0.218 353 D C 1.002 177.347 176.300 0.075 0.000 1.112 353 D CA 0.678 54.705 54.000 0.045 0.000 0.834 353 D CB 0.100 40.925 40.800 0.041 0.000 0.953 353 D HN 0.424 nan 8.370 nan 0.000 0.505 354 G N 0.826 109.685 108.800 0.100 0.000 2.184 354 G HA2 -0.404 3.556 3.960 -0.001 0.000 0.264 354 G HA3 -0.404 3.556 3.960 -0.001 0.000 0.264 354 G C 1.240 176.287 174.900 0.246 0.000 0.975 354 G CA 0.935 46.174 45.100 0.231 0.000 0.642 354 G HN 0.652 nan 8.290 nan 0.000 0.536 355 S N -1.074 114.693 115.700 0.112 0.000 2.453 355 S HA 0.191 4.660 4.470 -0.001 0.000 0.231 355 S C 1.188 175.782 174.600 -0.009 0.000 1.005 355 S CA 1.099 59.328 58.200 0.047 0.000 0.949 355 S CB 0.300 63.517 63.200 0.029 0.000 0.774 355 S HN 0.478 nan 8.310 nan 0.000 0.510 356 R N 2.425 122.914 120.500 -0.019 0.000 2.371 356 R HA 0.458 4.798 4.340 -0.001 0.000 0.312 356 R C -3.294 173.012 176.300 0.010 0.000 0.980 356 R CA -2.266 53.775 56.100 -0.100 0.000 0.867 356 R CB 1.497 31.595 30.300 -0.337 0.000 1.163 356 R HN 0.209 nan 8.270 nan 0.000 0.492 357 P HA 0.052 nan 4.420 nan 0.000 0.277 357 P C -0.918 176.600 177.300 0.363 0.000 1.240 357 P CA -0.413 62.859 63.100 0.288 0.000 0.798 357 P CB 0.564 32.258 31.700 -0.009 0.000 0.979 358 Y N 4.145 124.641 120.300 0.327 0.000 2.436 358 Y HA 0.372 4.921 4.550 -0.001 0.000 0.336 358 Y C -0.601 175.548 175.900 0.416 0.000 1.049 358 Y CA -0.096 58.158 58.100 0.257 0.000 1.294 358 Y CB -0.358 38.269 38.460 0.280 0.000 1.179 358 Y HN 0.274 nan 8.280 nan 0.000 0.520 359 F N 4.878 124.652 119.950 -0.292 0.000 2.596 359 F HA 0.539 5.066 4.527 -0.001 0.000 0.311 359 F C -1.773 173.831 175.800 -0.326 0.000 1.116 359 F CA -0.961 56.876 58.000 -0.270 0.000 0.957 359 F CB 1.510 40.494 39.000 -0.028 0.000 1.250 359 F HN 0.496 nan 8.300 nan 0.000 0.444 360 H N 2.730 121.632 119.070 -0.279 0.000 3.096 360 H HA 0.530 5.086 4.556 -0.001 0.000 0.335 360 H C -0.134 175.246 175.328 0.087 0.000 0.990 360 H CA -0.084 55.858 56.048 -0.177 0.000 1.393 360 H CB 2.358 31.940 29.762 -0.301 0.000 1.742 360 H HN 0.990 nan 8.280 nan 0.000 0.501 361 A N 3.298 126.355 122.820 0.395 0.000 2.172 361 A HA 0.076 4.396 4.320 -0.001 0.000 0.216 361 A C 1.717 179.626 177.584 0.542 0.000 1.154 361 A CA 1.611 53.943 52.037 0.492 0.000 0.701 361 A CB -0.084 19.251 19.000 0.558 0.000 0.789 361 A HN 0.630 nan 8.150 nan 0.000 0.465 362 A N -0.497 122.710 122.820 0.644 0.000 2.138 362 A HA 0.279 4.599 4.320 -0.001 0.000 0.203 362 A C 0.997 178.553 177.584 -0.047 0.000 1.286 362 A CA 0.738 53.020 52.037 0.408 0.000 0.929 362 A CB 0.294 19.627 19.000 0.554 0.000 0.975 362 A HN 0.545 nan 8.150 nan 0.000 0.480 363 E N -0.949 119.130 120.200 -0.202 0.000 3.956 363 E HA 0.448 4.798 4.350 -0.001 0.000 0.177 363 E C 0.528 176.899 176.600 -0.381 0.000 1.028 363 E CA 0.340 56.442 56.400 -0.497 0.000 1.463 363 E CB -0.055 29.435 29.700 -0.350 0.000 1.145 363 E HN 0.228 nan 8.360 nan 0.000 0.423 364 A N 0.903 123.603 122.820 -0.201 0.000 2.121 364 A HA 0.073 4.393 4.320 -0.001 0.000 0.218 364 A C 2.060 179.628 177.584 -0.027 0.000 1.154 364 A CA 1.339 53.374 52.037 -0.004 0.000 0.679 364 A CB -0.456 18.577 19.000 0.055 0.000 0.795 364 A HN 0.428 nan 8.150 nan 0.000 0.458 365 G N -1.135 107.538 108.800 -0.213 0.000 2.920 365 G HA2 0.155 4.115 3.960 -0.001 0.000 0.208 365 G HA3 0.155 4.115 3.960 -0.001 0.000 0.208 365 G C 1.153 175.891 174.900 -0.271 0.000 1.159 365 G CA 0.388 45.382 45.100 -0.177 0.000 0.784 365 G HN 0.337 nan 8.290 nan 0.000 0.535 366 L N 1.199 122.141 121.223 -0.468 0.000 2.056 366 L HA 0.120 4.459 4.340 -0.001 0.000 0.207 366 L C 0.068 176.483 176.870 -0.759 0.000 1.078 366 L CA 1.289 55.748 54.840 -0.636 0.000 0.749 366 L CB -0.964 40.557 42.059 -0.896 0.000 0.901 366 L HN 0.035 nan 8.230 nan 0.000 0.433 367 P HA -0.144 nan 4.420 nan 0.000 0.214 367 P C 1.660 178.711 177.300 -0.415 0.000 1.163 367 P CA 1.893 64.493 63.100 -0.833 0.000 0.889 367 P CB -0.111 30.686 31.700 -1.505 0.000 0.790 368 T N -0.660 113.770 114.554 -0.207 0.000 2.777 368 T HA -0.091 4.259 4.350 -0.001 0.000 0.266 368 T C 1.798 176.492 174.700 -0.009 0.000 1.040 368 T CA 1.038 63.142 62.100 0.006 0.000 1.141 368 T CB -0.926 68.009 68.868 0.112 0.000 0.868 368 T HN 0.036 nan 8.240 nan 0.000 0.444 369 I N 1.409 121.958 120.570 -0.035 0.000 2.163 369 I HA -0.234 3.936 4.170 -0.001 0.000 0.243 369 I C 2.891 179.018 176.117 0.017 0.000 1.085 369 I CA 1.313 62.638 61.300 0.041 0.000 1.347 369 I CB -0.453 37.598 38.000 0.085 0.000 1.044 369 I HN 0.195 nan 8.210 nan 0.000 0.408 370 A N 0.536 123.302 122.820 -0.090 0.000 1.933 370 A HA -0.158 4.162 4.320 -0.001 0.000 0.218 370 A C 2.299 179.890 177.584 0.012 0.000 1.175 370 A CA 1.401 53.394 52.037 -0.073 0.000 0.628 370 A CB -0.793 18.129 19.000 -0.130 0.000 0.814 370 A HN 0.402 nan 8.150 nan 0.000 0.444 371 L N -0.920 120.304 121.223 0.002 0.000 2.093 371 L HA -0.218 4.122 4.340 -0.001 0.000 0.208 371 L C 2.569 179.476 176.870 0.061 0.000 1.085 371 L CA 1.163 56.043 54.840 0.065 0.000 0.755 371 L CB -0.515 41.580 42.059 0.059 0.000 0.904 371 L HN 0.494 nan 8.230 nan 0.000 0.435 372 C N -0.670 118.630 119.300 -0.001 0.000 2.450 372 C HA -0.065 4.395 4.460 -0.001 0.000 0.279 372 C C 2.627 177.643 174.990 0.042 0.000 1.335 372 C CA 0.037 58.998 59.018 -0.095 0.000 1.749 372 C CB -0.635 27.130 27.740 0.041 0.000 1.963 372 C HN 0.481 nan 8.230 nan 0.000 0.501 373 E N 0.456 120.729 120.200 0.123 0.000 2.051 373 E HA -0.211 4.139 4.350 -0.001 0.000 0.192 373 E C 1.775 178.459 176.600 0.139 0.000 0.991 373 E CA 1.400 57.901 56.400 0.168 0.000 0.799 373 E CB -0.776 29.045 29.700 0.201 0.000 0.748 373 E HN 0.828 nan 8.360 nan 0.000 0.449 374 Y N 1.584 121.898 120.300 0.023 0.000 2.151 374 Y HA -0.208 4.341 4.550 -0.001 0.000 0.284 374 Y C 2.220 178.113 175.900 -0.012 0.000 1.166 374 Y CA 1.463 59.563 58.100 0.001 0.000 1.163 374 Y CB -0.495 37.956 38.460 -0.015 0.000 0.974 374 Y HN -0.048 nan 8.280 nan 0.000 0.511 375 L N -0.243 120.823 121.223 -0.261 0.000 2.083 375 L HA -0.220 4.120 4.340 -0.001 0.000 0.209 375 L C 2.770 179.545 176.870 -0.158 0.000 1.083 375 L CA 1.117 55.758 54.840 -0.332 0.000 0.752 375 L CB -0.914 40.920 42.059 -0.375 0.000 0.899 375 L HN 0.385 nan 8.230 nan 0.000 0.433 376 A N 0.702 123.509 122.820 -0.022 0.000 1.969 376 A HA -0.153 4.167 4.320 -0.001 0.000 0.218 376 A C 2.073 179.670 177.584 0.022 0.000 1.169 376 A CA 1.646 53.720 52.037 0.063 0.000 0.635 376 A CB -0.639 18.433 19.000 0.121 0.000 0.810 376 A HN 0.600 nan 8.150 nan 0.000 0.445 377 I N -3.243 117.310 120.570 -0.029 0.000 3.793 377 I HA 0.255 4.424 4.170 -0.001 0.000 0.315 377 I C 0.440 176.482 176.117 -0.125 0.000 1.275 377 I CA -0.005 61.309 61.300 0.025 0.000 1.214 377 I CB 0.088 38.166 38.000 0.131 0.000 1.018 377 I HN 0.038 nan 8.210 nan 0.000 0.439 378 E N 2.563 122.605 120.200 -0.263 0.000 2.259 378 E HA 0.065 4.415 4.350 -0.001 0.000 0.281 378 E C 0.424 176.945 176.600 -0.131 0.000 1.027 378 E CA -0.182 56.039 56.400 -0.298 0.000 0.838 378 E CB 0.893 30.267 29.700 -0.544 0.000 1.066 378 E HN 0.398 nan 8.360 nan 0.000 0.401 379 D N 3.011 123.363 120.400 -0.081 0.000 2.259 379 D HA -0.093 4.546 4.640 -0.001 0.000 0.216 379 D C 0.054 176.343 176.300 -0.018 0.000 0.961 379 D CA 0.323 54.310 54.000 -0.023 0.000 0.878 379 D CB -0.289 40.516 40.800 0.008 0.000 1.009 379 D HN 0.566 nan 8.370 nan 0.000 0.490 380 D N 0.395 120.782 120.400 -0.023 0.000 2.175 380 D HA 0.074 4.713 4.640 -0.001 0.000 0.248 380 D C 0.560 176.855 176.300 -0.008 0.000 1.047 380 D CA -0.455 53.539 54.000 -0.008 0.000 0.883 380 D CB 2.617 43.417 40.800 -0.001 0.000 1.180 380 D HN -0.066 nan 8.370 nan 0.000 0.438 381 S N 1.893 117.593 115.700 0.000 0.000 2.428 381 S HA -0.099 4.371 4.470 -0.001 0.000 0.230 381 S C 1.765 176.371 174.600 0.010 0.000 1.014 381 S CA 0.810 59.012 58.200 0.005 0.000 0.957 381 S CB -0.145 63.060 63.200 0.008 0.000 0.784 381 S HN 0.472 nan 8.310 nan 0.000 0.499 382 V N 1.357 121.277 119.914 0.010 0.000 2.951 382 V HA 0.023 4.142 4.120 -0.001 0.000 0.255 382 V C 2.523 178.629 176.094 0.020 0.000 1.088 382 V CA 0.910 63.217 62.300 0.012 0.000 1.109 382 V CB -0.592 31.236 31.823 0.008 0.000 0.724 382 V HN 0.434 nan 8.190 nan 0.000 0.471 383 Q N 0.787 120.603 119.800 0.027 0.000 2.187 383 Q HA -0.122 4.218 4.340 -0.001 0.000 0.199 383 Q C 2.545 178.598 176.000 0.089 0.000 0.957 383 Q CA 1.900 57.735 55.803 0.053 0.000 0.857 383 Q CB -0.287 28.488 28.738 0.063 0.000 0.929 383 Q HN 0.809 nan 8.270 nan 0.000 0.453 384 T N -1.959 112.631 114.554 0.060 0.000 3.051 384 T HA -0.110 4.240 4.350 -0.001 0.000 0.269 384 T C 1.500 176.236 174.700 0.060 0.000 1.127 384 T CA 1.004 63.145 62.100 0.067 0.000 1.107 384 T CB 0.100 68.971 68.868 0.005 0.000 0.898 384 T HN 0.236 nan 8.240 nan 0.000 0.517 385 E N 1.581 121.804 120.200 0.039 0.000 2.023 385 E HA -0.195 4.154 4.350 -0.001 0.000 0.196 385 E C 2.483 179.092 176.600 0.014 0.000 1.003 385 E CA 1.879 58.292 56.400 0.021 0.000 0.809 385 E CB -0.240 29.467 29.700 0.012 0.000 0.755 385 E HN 0.779 nan 8.360 nan 0.000 0.449 386 S N -0.377 115.330 115.700 0.012 0.000 2.382 386 S HA -0.133 4.337 4.470 -0.001 0.000 0.228 386 S C 2.119 176.719 174.600 0.001 0.000 1.027 386 S CA 1.287 59.483 58.200 -0.006 0.000 0.991 386 S CB -0.504 62.688 63.200 -0.014 0.000 0.823 386 S HN 0.142 nan 8.310 nan 0.000 0.469 387 V N 2.058 121.996 119.914 0.040 0.000 2.307 387 V HA -0.124 3.996 4.120 -0.001 0.000 0.245 387 V C 2.794 178.912 176.094 0.040 0.000 1.045 387 V CA 2.176 64.514 62.300 0.064 0.000 1.024 387 V CB -0.792 31.133 31.823 0.169 0.000 0.651 387 V HN 0.482 nan 8.190 nan 0.000 0.449 388 K N -0.023 120.397 120.400 0.033 0.000 2.063 388 K HA -0.225 4.094 4.320 -0.001 0.000 0.208 388 K C 2.235 178.837 176.600 0.004 0.000 1.048 388 K CA 1.972 58.273 56.287 0.022 0.000 0.928 388 K CB -0.388 32.133 32.500 0.035 0.000 0.713 388 K HN 0.773 nan 8.250 nan 0.000 0.442 389 C N -0.364 118.925 119.300 -0.019 0.000 2.468 389 C HA 0.161 4.621 4.460 -0.001 0.000 0.277 389 C C 2.218 177.143 174.990 -0.109 0.000 1.400 389 C CA -0.523 58.460 59.018 -0.058 0.000 1.770 389 C CB -0.768 26.934 27.740 -0.065 0.000 1.905 389 C HN 0.297 nan 8.230 nan 0.000 0.519 390 I N 1.671 122.187 120.570 -0.089 0.000 2.286 390 I HA -0.091 4.078 4.170 -0.001 0.000 0.245 390 I C 2.784 178.853 176.117 -0.080 0.000 1.104 390 I CA 1.268 62.491 61.300 -0.129 0.000 1.397 390 I CB -1.093 36.868 38.000 -0.066 0.000 1.072 390 I HN 0.235 nan 8.210 nan 0.000 0.417 391 V N 1.454 121.373 119.914 0.008 0.000 2.287 391 V HA -0.302 3.818 4.120 -0.001 0.000 0.248 391 V C 2.322 178.426 176.094 0.016 0.000 1.053 391 V CA 1.852 64.184 62.300 0.053 0.000 1.027 391 V CB -0.826 31.026 31.823 0.047 0.000 0.646 391 V HN 0.460 nan 8.190 nan 0.000 0.447 392 N N -0.104 118.586 118.700 -0.016 0.000 2.069 392 N HA -0.190 4.550 4.740 -0.001 0.000 0.191 392 N C 2.061 177.530 175.510 -0.069 0.000 1.031 392 N CA 1.588 54.619 53.050 -0.031 0.000 0.852 392 N CB -0.185 38.280 38.487 -0.035 0.000 1.018 392 N HN 0.472 nan 8.380 nan 0.000 0.423 393 R N 0.779 121.190 120.500 -0.148 0.000 2.096 393 R HA -0.015 4.325 4.340 -0.001 0.000 0.235 393 R C 2.332 178.567 176.300 -0.108 0.000 1.127 393 R CA 1.209 57.175 56.100 -0.223 0.000 0.968 393 R CB -0.228 29.732 30.300 -0.566 0.000 0.861 393 R HN 0.190 nan 8.270 nan 0.000 0.440 394 A N 0.366 123.118 122.820 -0.113 0.000 1.902 394 A HA -0.183 4.137 4.320 -0.001 0.000 0.217 394 A C 2.319 179.983 177.584 0.134 0.000 1.181 394 A CA 1.445 53.485 52.037 0.005 0.000 0.623 394 A CB -0.763 18.345 19.000 0.180 0.000 0.818 394 A HN 0.451 nan 8.150 nan 0.000 0.443 395 C N -0.796 118.525 119.300 0.036 0.000 2.457 395 C HA -0.030 4.429 4.460 -0.001 0.000 0.278 395 C C 2.615 177.535 174.990 -0.117 0.000 1.309 395 C CA 0.994 59.975 59.018 -0.062 0.000 1.735 395 C CB -1.164 26.536 27.740 -0.066 0.000 1.992 395 C HN 0.653 nan 8.230 nan 0.000 0.493 396 E N 0.002 120.173 120.200 -0.049 0.000 2.150 396 E HA -0.185 4.164 4.350 -0.001 0.000 0.193 396 E C 1.785 178.372 176.600 -0.022 0.000 0.985 396 E CA 1.058 57.430 56.400 -0.047 0.000 0.814 396 E CB -0.256 29.440 29.700 -0.006 0.000 0.752 396 E HN 0.771 nan 8.360 nan 0.000 0.466 397 F N 2.620 122.520 119.950 -0.085 0.000 2.095 397 F HA -0.214 4.312 4.527 -0.001 0.000 0.298 397 F C 2.058 177.810 175.800 -0.080 0.000 1.104 397 F CA 1.423 59.384 58.000 -0.066 0.000 1.232 397 F CB -0.016 38.950 39.000 -0.058 0.000 0.987 397 F HN -0.140 nan 8.300 nan 0.000 0.475 398 E N 1.083 121.050 120.200 -0.388 0.000 2.058 398 E HA -0.219 4.131 4.350 -0.001 0.000 0.194 398 E C 2.461 178.778 176.600 -0.472 0.000 0.997 398 E CA 1.940 58.020 56.400 -0.533 0.000 0.801 398 E CB -0.765 28.639 29.700 -0.493 0.000 0.746 398 E HN 0.552 nan 8.360 nan 0.000 0.450 399 I N 1.025 121.338 120.570 -0.428 0.000 2.127 399 I HA -0.295 3.875 4.170 -0.001 0.000 0.241 399 I C 2.410 178.416 176.117 -0.185 0.000 1.075 399 I CA 1.407 62.550 61.300 -0.261 0.000 1.334 399 I CB -0.189 37.686 38.000 -0.209 0.000 1.040 399 I HN 0.028 nan 8.210 nan 0.000 0.405 400 K N 0.365 120.645 120.400 -0.200 0.000 2.103 400 K HA -0.079 4.240 4.320 -0.001 0.000 0.204 400 K C 2.157 178.626 176.600 -0.218 0.000 1.052 400 K CA 1.143 57.331 56.287 -0.165 0.000 0.945 400 K CB -0.080 32.351 32.500 -0.115 0.000 0.722 400 K HN 0.319 nan 8.250 nan 0.000 0.443 401 I N 0.822 121.187 120.570 -0.342 0.000 2.676 401 I HA -0.211 3.958 4.170 -0.001 0.000 0.259 401 I C 1.277 177.204 176.117 -0.317 0.000 1.194 401 I CA 1.029 62.108 61.300 -0.370 0.000 1.473 401 I CB 0.200 37.859 38.000 -0.568 0.000 1.096 401 I HN 0.052 nan 8.210 nan 0.000 0.443 402 S N 0.494 116.040 115.700 -0.256 0.000 2.470 402 S HA 0.022 4.491 4.470 -0.001 0.000 0.225 402 S C 1.452 175.955 174.600 -0.163 0.000 1.006 402 S CA 0.463 58.545 58.200 -0.198 0.000 0.934 402 S CB -0.193 62.982 63.200 -0.042 0.000 0.778 402 S HN 0.524 nan 8.310 nan 0.000 0.517 403 N N 0.890 119.508 118.700 -0.137 0.000 2.336 403 N HA 0.133 4.873 4.740 -0.001 0.000 0.189 403 N C 1.309 176.747 175.510 -0.120 0.000 1.113 403 N CA 0.076 53.065 53.050 -0.103 0.000 0.858 403 N CB 0.175 38.618 38.487 -0.074 0.000 0.970 403 N HN 0.341 nan 8.380 nan 0.000 0.471 404 K N 0.961 121.262 120.400 -0.164 0.000 2.148 404 K HA -0.048 4.272 4.320 -0.001 0.000 0.204 404 K C 0.927 177.444 176.600 -0.138 0.000 1.050 404 K CA 0.764 56.957 56.287 -0.156 0.000 0.942 404 K CB 0.320 32.704 32.500 -0.193 0.000 0.724 404 K HN 0.061 nan 8.250 nan 0.000 0.446 405 V N -3.299 116.521 119.914 -0.157 0.000 3.158 405 V HA 0.316 4.435 4.120 -0.001 0.000 0.311 405 V C -0.277 175.765 176.094 -0.087 0.000 1.181 405 V CA -1.109 61.120 62.300 -0.119 0.000 1.054 405 V CB 1.474 33.217 31.823 -0.134 0.000 1.085 405 V HN -0.158 nan 8.190 nan 0.000 0.446 406 T N 3.718 118.237 114.554 -0.059 0.000 2.831 406 T HA 0.208 4.558 4.350 -0.001 0.000 0.291 406 T C 0.124 174.811 174.700 -0.021 0.000 0.981 406 T CA 0.980 63.052 62.100 -0.047 0.000 1.174 406 T CB -0.715 68.120 68.868 -0.056 0.000 0.929 406 T HN 0.893 nan 8.240 nan 0.000 0.532 407 N N 4.165 122.862 118.700 -0.006 0.000 2.732 407 N HA 0.265 5.005 4.740 -0.001 0.000 0.235 407 N C -2.268 173.269 175.510 0.046 0.000 1.466 407 N CA -1.752 51.346 53.050 0.080 0.000 0.751 407 N CB 1.090 39.645 38.487 0.113 0.000 1.317 407 N HN 0.166 nan 8.380 nan 0.000 0.525 408 P HA 0.031 nan 4.420 nan 0.000 0.218 408 P C 1.068 178.292 177.300 -0.126 0.000 1.149 408 P CA 0.916 63.936 63.100 -0.133 0.000 0.817 408 P CB 0.081 31.618 31.700 -0.272 0.000 0.785 409 F N -0.325 119.681 119.950 0.092 0.000 2.325 409 F HA 0.169 4.696 4.527 -0.001 0.000 0.299 409 F C 1.856 177.774 175.800 0.198 0.000 1.090 409 F CA 1.309 59.451 58.000 0.237 0.000 1.392 409 F CB -1.159 38.141 39.000 0.500 0.000 1.053 409 F HN 0.002 nan 8.300 nan 0.000 0.521 410 G N -0.212 108.770 108.800 0.303 0.000 2.225 410 G HA2 -0.368 3.591 3.960 -0.001 0.000 0.264 410 G HA3 -0.368 3.591 3.960 -0.001 0.000 0.264 410 G C -0.031 174.919 174.900 0.084 0.000 1.060 410 G CA -0.233 44.959 45.100 0.153 0.000 0.833 410 G HN 0.408 nan 8.290 nan 0.000 0.498 411 Y N 1.861 122.201 120.300 0.066 0.000 2.650 411 Y HA 0.373 4.922 4.550 -0.001 0.000 0.331 411 Y C -1.432 174.355 175.900 -0.188 0.000 1.165 411 Y CA -1.221 56.763 58.100 -0.193 0.000 1.473 411 Y CB 0.747 39.028 38.460 -0.298 0.000 1.224 411 Y HN 0.194 nan 8.280 nan 0.000 0.533 412 P HA 0.069 nan 4.420 nan 0.000 0.266 412 P C -0.795 176.368 177.300 -0.229 0.000 1.215 412 P CA 0.440 63.319 63.100 -0.369 0.000 0.763 412 P CB 0.590 32.014 31.700 -0.461 0.000 0.806 413 R N 2.621 123.024 120.500 -0.161 0.000 2.541 413 R HA 0.509 4.849 4.340 -0.001 0.000 0.254 413 R C 0.536 176.761 176.300 -0.125 0.000 1.130 413 R CA -0.619 55.352 56.100 -0.214 0.000 1.152 413 R CB 0.710 30.733 30.300 -0.461 0.000 1.222 413 R HN 0.555 nan 8.270 nan 0.000 0.579 414 Q N -0.186 119.567 119.800 -0.078 0.000 2.522 414 Q HA 0.244 4.583 4.340 -0.001 0.000 0.285 414 Q C -1.712 174.381 176.000 0.156 0.000 0.982 414 Q CA -0.950 54.907 55.803 0.091 0.000 0.805 414 Q CB 1.225 30.059 28.738 0.160 0.000 1.457 414 Q HN 0.489 nan 8.270 nan 0.000 0.394 415 Y N 1.954 122.344 120.300 0.150 0.000 2.454 415 Y HA 0.470 5.019 4.550 -0.001 0.000 0.345 415 Y C -0.572 175.302 175.900 -0.043 0.000 0.970 415 Y CA -0.916 57.214 58.100 0.051 0.000 1.204 415 Y CB 0.679 39.231 38.460 0.154 0.000 1.122 415 Y HN 0.600 nan 8.280 nan 0.000 0.514 416 V N 3.114 122.829 119.914 -0.332 0.000 3.177 416 V HA 0.741 4.861 4.120 -0.001 0.000 0.319 416 V C -0.977 174.715 176.094 -0.669 0.000 1.125 416 V CA -1.153 60.617 62.300 -0.883 0.000 1.029 416 V CB 2.219 33.434 31.823 -1.014 0.000 1.119 416 V HN 0.614 nan 8.190 nan 0.000 0.452 417 K N 0.570 120.594 120.400 -0.627 0.000 2.587 417 K HA 0.483 4.803 4.320 -0.001 0.000 0.256 417 K C -0.301 176.239 176.600 -0.100 0.000 0.974 417 K CA -0.002 56.129 56.287 -0.260 0.000 0.855 417 K CB 1.600 34.007 32.500 -0.154 0.000 1.292 417 K HN 1.323 nan 8.250 nan 0.000 0.444 418 G N 1.708 110.451 108.800 -0.097 0.000 2.503 418 G HA2 0.262 4.221 3.960 -0.001 0.000 0.257 418 G HA3 0.262 4.221 3.960 -0.001 0.000 0.257 418 G C -0.180 174.729 174.900 0.015 0.000 1.214 418 G CA -0.530 44.562 45.100 -0.014 0.000 0.839 418 G HN 0.360 nan 8.290 nan 0.000 0.559 419 V N 3.248 123.194 119.914 0.053 0.000 2.539 419 V HA -0.079 4.041 4.120 -0.001 0.000 0.300 419 V C 0.700 176.813 176.094 0.032 0.000 1.019 419 V CA 0.475 62.808 62.300 0.054 0.000 1.160 419 V CB 0.118 31.988 31.823 0.079 0.000 0.901 419 V HN 0.976 nan 8.190 nan 0.000 0.481 420 N N 3.130 121.843 118.700 0.023 0.000 2.741 420 N HA -0.180 4.560 4.740 -0.001 0.000 0.250 420 N C 0.056 175.564 175.510 -0.002 0.000 1.115 420 N CA 1.382 54.440 53.050 0.013 0.000 0.724 420 N CB -0.716 37.785 38.487 0.023 0.000 1.090 420 N HN 0.907 nan 8.380 nan 0.000 0.558 421 E N -0.780 119.410 120.200 -0.017 0.000 2.339 421 E HA 0.553 4.903 4.350 -0.001 0.000 0.262 421 E C -0.533 176.037 176.600 -0.051 0.000 0.934 421 E CA -0.705 55.674 56.400 -0.035 0.000 0.802 421 E CB 1.495 31.165 29.700 -0.050 0.000 1.275 421 E HN 0.003 nan 8.360 nan 0.000 0.427 422 S N 0.171 115.835 115.700 -0.059 0.000 2.610 422 S HA 0.202 4.671 4.470 -0.001 0.000 0.273 422 S C -0.470 174.060 174.600 -0.116 0.000 1.274 422 S CA -0.636 57.522 58.200 -0.070 0.000 1.023 422 S CB 0.458 63.630 63.200 -0.047 0.000 0.962 422 S HN 0.248 nan 8.310 nan 0.000 0.523 423 K N 2.377 122.681 120.400 -0.159 0.000 2.448 423 K HA 0.155 4.475 4.320 -0.001 0.000 0.278 423 K C 0.102 176.623 176.600 -0.132 0.000 1.009 423 K CA 0.372 56.480 56.287 -0.299 0.000 0.995 423 K CB 0.272 32.471 32.500 -0.502 0.000 0.917 423 K HN 0.570 nan 8.250 nan 0.000 0.481 424 R N 0.950 121.368 120.500 -0.137 0.000 2.668 424 R HA 0.194 4.534 4.340 -0.001 0.000 0.272 424 R C -1.425 174.958 176.300 0.138 0.000 1.019 424 R CA -1.089 55.034 56.100 0.038 0.000 0.894 424 R CB 1.057 31.326 30.300 -0.051 0.000 1.228 424 R HN 0.612 nan 8.270 nan 0.000 0.460 425 D N 1.792 122.280 120.400 0.146 0.000 2.345 425 D HA 0.478 5.118 4.640 -0.001 0.000 0.247 425 D C -0.528 175.731 176.300 -0.067 0.000 1.108 425 D CA -0.328 53.697 54.000 0.042 0.000 0.894 425 D CB 1.702 42.444 40.800 -0.097 0.000 1.203 425 D HN 0.694 nan 8.370 nan 0.000 0.430 426 A N 1.148 123.901 122.820 -0.113 0.000 2.599 426 A HA 0.455 4.775 4.320 -0.001 0.000 0.290 426 A C -0.315 177.155 177.584 -0.190 0.000 1.101 426 A CA -0.897 51.073 52.037 -0.112 0.000 0.674 426 A CB 0.596 19.559 19.000 -0.062 0.000 1.277 426 A HN 0.393 nan 8.150 nan 0.000 0.419 427 F N 0.043 119.881 119.950 -0.187 0.000 2.118 427 F HA 0.236 4.762 4.527 -0.001 0.000 0.293 427 F C 0.472 176.010 175.800 -0.436 0.000 1.102 427 F CA 1.659 59.404 58.000 -0.425 0.000 1.247 427 F CB -0.063 38.438 39.000 -0.833 0.000 1.017 427 F HN 0.444 nan 8.300 nan 0.000 0.475 428 F N -1.003 119.091 119.950 0.239 0.000 2.541 428 F HA 0.457 4.984 4.527 -0.001 0.000 0.331 428 F C 0.158 176.006 175.800 0.080 0.000 1.057 428 F CA -2.291 55.808 58.000 0.165 0.000 0.975 428 F CB 0.421 39.477 39.000 0.093 0.000 1.246 428 F HN -0.355 nan 8.300 nan 0.000 0.484 429 V N 0.494 120.621 119.914 0.354 0.000 2.999 429 V HA 0.557 4.677 4.120 -0.001 0.000 0.307 429 V C 0.328 176.492 176.094 0.118 0.000 1.084 429 V CA -1.270 61.173 62.300 0.239 0.000 1.155 429 V CB -0.033 32.064 31.823 0.456 0.000 0.975 429 V HN 0.957 nan 8.190 nan 0.000 0.490 430 A N 2.528 125.308 122.820 -0.067 0.000 2.492 430 A HA 0.269 4.589 4.320 -0.001 0.000 0.254 430 A C 0.896 178.543 177.584 0.105 0.000 1.091 430 A CA 0.094 52.077 52.037 -0.089 0.000 0.768 430 A CB -0.730 18.143 19.000 -0.212 0.000 1.028 430 A HN 1.102 nan 8.150 nan 0.000 0.498 431 H N 1.617 120.509 119.070 -0.297 0.000 2.423 431 H HA -0.080 4.476 4.556 -0.001 0.000 0.297 431 H C 0.385 175.668 175.328 -0.075 0.000 1.075 431 H CA 1.011 56.777 56.048 -0.470 0.000 1.342 431 H CB 0.349 29.537 29.762 -0.956 0.000 1.395 431 H HN 0.698 nan 8.280 nan 0.000 0.530 432 N N 1.566 120.312 118.700 0.076 0.000 2.801 432 N HA 0.009 4.748 4.740 -0.001 0.000 0.235 432 N C -1.064 174.523 175.510 0.128 0.000 1.069 432 N CA -0.419 52.692 53.050 0.102 0.000 0.946 432 N CB -0.035 38.480 38.487 0.048 0.000 1.212 432 N HN 0.393 nan 8.380 nan 0.000 0.509 433 N N 0.363 119.168 118.700 0.175 0.000 3.100 433 N HA 0.341 5.080 4.740 -0.001 0.000 0.344 433 N C 0.333 175.925 175.510 0.136 0.000 1.413 433 N CA -0.600 52.555 53.050 0.176 0.000 0.752 433 N CB 0.464 39.090 38.487 0.231 0.000 1.519 433 N HN -0.052 nan 8.380 nan 0.000 0.620 434 E N -0.906 119.353 120.200 0.097 0.000 2.347 434 E HA -0.097 4.253 4.350 -0.001 0.000 0.196 434 E C 1.295 177.899 176.600 0.007 0.000 1.008 434 E CA 1.112 57.550 56.400 0.063 0.000 0.852 434 E CB -0.243 29.490 29.700 0.055 0.000 0.783 434 E HN 0.633 nan 8.360 nan 0.000 0.505 435 S N -0.798 114.880 115.700 -0.037 0.000 2.436 435 S HA 0.061 4.531 4.470 -0.001 0.000 0.228 435 S C 1.902 176.726 174.600 0.374 0.000 1.014 435 S CA 0.453 58.642 58.200 -0.018 0.000 0.950 435 S CB -0.205 62.906 63.200 -0.149 0.000 0.784 435 S HN 0.353 nan 8.310 nan 0.000 0.504 436 G N 0.884 109.860 108.800 0.293 0.000 2.148 436 G HA2 -0.325 3.635 3.960 -0.001 0.000 0.254 436 G HA3 -0.325 3.635 3.960 -0.001 0.000 0.254 436 G C 0.250 175.421 174.900 0.452 0.000 0.981 436 G CA 0.937 46.243 45.100 0.344 0.000 0.670 436 G HN 1.380 nan 8.290 nan 0.000 0.528 437 Y N -5.244 115.230 120.300 0.290 0.000 2.592 437 Y HA 0.350 4.899 4.550 -0.001 0.000 0.309 437 Y C 0.615 176.684 175.900 0.282 0.000 0.928 437 Y CA -0.730 57.533 58.100 0.272 0.000 0.941 437 Y CB -0.128 38.480 38.460 0.246 0.000 1.422 437 Y HN 0.298 nan 8.280 nan 0.000 0.579 438 W N 5.914 126.801 121.300 -0.687 0.000 2.335 438 W HA 0.502 5.162 4.660 -0.001 0.000 0.306 438 W C -0.838 175.597 176.519 -0.140 0.000 1.216 438 W CA -0.284 56.651 57.345 -0.682 0.000 1.237 438 W CB 0.551 29.476 29.460 -0.891 0.000 1.243 438 W HN 0.279 nan 8.180 nan 0.000 0.493 439 W N 6.522 127.349 121.300 -0.788 0.000 3.275 439 W HA 0.486 5.146 4.660 -0.001 0.000 0.306 439 W C -1.716 174.065 176.519 -1.230 0.000 1.259 439 W CA -1.105 55.689 57.345 -0.918 0.000 1.194 439 W CB 0.222 29.339 29.460 -0.572 0.000 1.375 439 W HN 0.616 nan 8.180 nan 0.000 0.564 440 Q N 1.053 120.408 119.800 -0.742 0.000 2.841 440 Q HA 0.513 4.853 4.340 -0.001 0.000 0.309 440 Q C -0.256 175.605 176.000 -0.232 0.000 0.868 440 Q CA -0.913 54.449 55.803 -0.735 0.000 0.760 440 Q CB 1.124 29.355 28.738 -0.845 0.000 1.454 440 Q HN 0.779 nan 8.270 nan 0.000 0.449 441 G N 0.310 109.013 108.800 -0.162 0.000 2.474 441 G HA2 0.201 4.161 3.960 -0.001 0.000 0.233 441 G HA3 0.201 4.161 3.960 -0.001 0.000 0.233 441 G C -0.411 174.636 174.900 0.246 0.000 1.278 441 G CA -0.123 45.029 45.100 0.088 0.000 0.861 441 G HN 0.545 nan 8.290 nan 0.000 0.567 442 E N 1.761 122.168 120.200 0.344 0.000 2.723 442 E HA 0.075 4.425 4.350 -0.001 0.000 0.219 442 E C 0.819 177.643 176.600 0.372 0.000 1.060 442 E CA -0.543 56.103 56.400 0.411 0.000 1.291 442 E CB 0.370 30.323 29.700 0.421 0.000 1.265 442 E HN 0.375 nan 8.360 nan 0.000 0.438 443 N N 1.470 120.384 118.700 0.357 0.000 2.142 443 N HA -0.143 4.597 4.740 -0.001 0.000 0.186 443 N C 1.820 177.586 175.510 0.426 0.000 1.023 443 N CA 1.225 54.467 53.050 0.319 0.000 0.852 443 N CB -0.137 38.432 38.487 0.136 0.000 0.998 443 N HN 0.310 nan 8.380 nan 0.000 0.424 444 A N 1.618 124.873 122.820 0.724 0.000 1.873 444 A HA -0.223 4.097 4.320 -0.001 0.000 0.218 444 A C 2.252 179.868 177.584 0.053 0.000 1.193 444 A CA 1.856 54.173 52.037 0.468 0.000 0.629 444 A CB -0.740 18.502 19.000 0.403 0.000 0.826 444 A HN 0.334 nan 8.150 nan 0.000 0.447 445 R N -0.956 119.605 120.500 0.101 0.000 2.096 445 R HA -0.188 4.152 4.340 -0.001 0.000 0.240 445 R C 1.898 178.125 176.300 -0.123 0.000 1.139 445 R CA 1.971 58.040 56.100 -0.052 0.000 0.952 445 R CB -0.445 29.916 30.300 0.101 0.000 0.854 445 R HN 0.390 nan 8.270 nan 0.000 0.436 446 L N 0.046 121.244 121.223 -0.043 0.000 2.093 446 L HA -0.010 4.329 4.340 -0.001 0.000 0.208 446 L C 2.450 179.294 176.870 -0.044 0.000 1.085 446 L CA 2.106 56.879 54.840 -0.113 0.000 0.755 446 L CB -0.887 41.122 42.059 -0.083 0.000 0.904 446 L HN 0.425 nan 8.230 nan 0.000 0.435 447 G N -1.580 107.265 108.800 0.074 0.000 2.408 447 G HA2 -0.258 3.702 3.960 -0.001 0.000 0.217 447 G HA3 -0.258 3.702 3.960 -0.001 0.000 0.217 447 G C 1.776 176.729 174.900 0.088 0.000 1.150 447 G CA 0.995 46.208 45.100 0.188 0.000 0.776 447 G HN 0.501 nan 8.290 nan 0.000 0.542 448 S N 0.345 115.850 115.700 -0.325 0.000 2.383 448 S HA 0.044 4.513 4.470 -0.001 0.000 0.227 448 S C 2.357 176.776 174.600 -0.301 0.000 1.026 448 S CA 0.991 58.705 58.200 -0.809 0.000 0.981 448 S CB -0.320 61.865 63.200 -1.690 0.000 0.818 448 S HN 0.265 nan 8.310 nan 0.000 0.472 449 L N 1.081 122.203 121.223 -0.168 0.000 2.131 449 L HA 0.139 4.478 4.340 -0.001 0.000 0.206 449 L C 3.173 180.092 176.870 0.082 0.000 1.087 449 L CA 0.913 55.767 54.840 0.023 0.000 0.767 449 L CB -0.714 41.394 42.059 0.081 0.000 0.917 449 L HN 0.468 nan 8.230 nan 0.000 0.441 450 A N -0.233 122.570 122.820 -0.029 0.000 1.877 450 A HA -0.192 4.127 4.320 -0.001 0.000 0.216 450 A C 2.366 179.936 177.584 -0.023 0.000 1.186 450 A CA 2.309 54.299 52.037 -0.079 0.000 0.620 450 A CB -0.935 18.050 19.000 -0.025 0.000 0.822 450 A HN 0.352 nan 8.150 nan 0.000 0.443 451 T N 0.031 114.673 114.554 0.147 0.000 2.652 451 T HA -0.250 4.099 4.350 -0.001 0.000 0.267 451 T C 1.948 176.764 174.700 0.194 0.000 1.039 451 T CA 1.770 64.028 62.100 0.264 0.000 1.153 451 T CB -0.391 68.711 68.868 0.390 0.000 0.863 451 T HN 0.521 nan 8.240 nan 0.000 0.428 452 M N 1.252 120.927 119.600 0.125 0.000 2.089 452 M HA -0.201 4.278 4.480 -0.001 0.000 0.257 452 M C 2.358 178.694 176.300 0.059 0.000 1.071 452 M CA 2.256 57.612 55.300 0.093 0.000 1.096 452 M CB -0.418 32.214 32.600 0.054 0.000 1.330 452 M HN 0.303 nan 8.290 nan 0.000 0.403 453 A N -1.045 121.770 122.820 -0.007 0.000 2.121 453 A HA -0.139 4.180 4.320 -0.001 0.000 0.218 453 A C 1.437 178.903 177.584 -0.198 0.000 1.154 453 A CA 1.045 53.016 52.037 -0.111 0.000 0.679 453 A CB -0.743 18.218 19.000 -0.066 0.000 0.795 453 A HN 0.691 nan 8.150 nan 0.000 0.458 454 Y N -0.520 119.790 120.300 0.017 0.000 2.301 454 Y HA 0.158 4.707 4.550 -0.001 0.000 0.295 454 Y C 2.073 178.005 175.900 0.053 0.000 1.119 454 Y CA 0.574 58.648 58.100 -0.044 0.000 1.162 454 Y CB -0.377 38.065 38.460 -0.030 0.000 1.046 454 Y HN 0.128 nan 8.280 nan 0.000 0.538 455 L N -0.876 120.496 121.223 0.248 0.000 2.217 455 L HA -0.083 4.257 4.340 -0.001 0.000 0.211 455 L C 2.422 179.430 176.870 0.229 0.000 1.107 455 L CA 1.025 56.000 54.840 0.226 0.000 0.783 455 L CB -0.715 41.484 42.059 0.233 0.000 0.919 455 L HN 0.179 nan 8.230 nan 0.000 0.442 456 A N -0.588 122.348 122.820 0.193 0.000 2.066 456 A HA -0.159 4.161 4.320 -0.001 0.000 0.218 456 A C 2.194 179.894 177.584 0.193 0.000 1.157 456 A CA 0.790 52.958 52.037 0.218 0.000 0.670 456 A CB -0.240 18.835 19.000 0.126 0.000 0.804 456 A HN 0.419 nan 8.150 nan 0.000 0.453 457 Q N -0.473 119.405 119.800 0.131 0.000 2.096 457 Q HA -0.155 4.185 4.340 -0.001 0.000 0.204 457 Q C -0.572 175.455 176.000 0.044 0.000 0.982 457 Q CA 1.783 57.645 55.803 0.099 0.000 0.850 457 Q CB -1.121 27.701 28.738 0.140 0.000 0.901 457 Q HN 0.481 nan 8.270 nan 0.000 0.422 458 P HA -0.178 nan 4.420 nan 0.000 0.217 458 P C 0.412 177.549 177.300 -0.271 0.000 1.148 458 P CA 1.325 64.301 63.100 -0.207 0.000 0.828 458 P CB -0.059 31.408 31.700 -0.389 0.000 0.783 459 H N -2.152 116.951 119.070 0.054 0.000 2.551 459 H HA 0.158 4.714 4.556 -0.001 0.000 0.271 459 H C 0.576 175.924 175.328 0.032 0.000 0.984 459 H CA -0.011 56.062 56.048 0.041 0.000 1.164 459 H CB 0.277 30.067 29.762 0.046 0.000 1.437 459 H HN 0.128 nan 8.280 nan 0.000 0.550 460 I N 1.362 121.993 120.570 0.102 0.000 2.315 460 I HA 0.135 4.305 4.170 -0.001 0.000 0.291 460 I C 1.443 177.586 176.117 0.043 0.000 1.006 460 I CA -0.221 61.119 61.300 0.067 0.000 1.265 460 I CB 1.191 39.221 38.000 0.051 0.000 1.387 460 I HN 0.040 nan 8.210 nan 0.000 0.475 461 A N 5.156 127.997 122.820 0.035 0.000 1.845 461 A HA -0.110 4.209 4.320 -0.001 0.000 0.215 461 A C 1.453 179.049 177.584 0.019 0.000 1.195 461 A CA 1.032 53.084 52.037 0.024 0.000 0.616 461 A CB -0.404 18.607 19.000 0.018 0.000 0.832 461 A HN 0.647 nan 8.150 nan 0.000 0.443 462 S N -0.071 115.638 115.700 0.016 0.000 2.498 462 S HA 0.054 4.524 4.470 -0.001 0.000 0.281 462 S C 0.947 175.559 174.600 0.019 0.000 1.265 462 S CA -0.161 58.047 58.200 0.013 0.000 1.071 462 S CB 0.474 63.678 63.200 0.007 0.000 0.894 462 S HN 0.512 nan 8.310 nan 0.000 0.491 463 Q N 2.584 122.397 119.800 0.021 0.000 2.364 463 Q HA -0.130 4.209 4.340 -0.001 0.000 0.207 463 Q C 1.573 177.591 176.000 0.029 0.000 0.970 463 Q CA 1.235 57.055 55.803 0.028 0.000 0.888 463 Q CB 0.070 28.824 28.738 0.026 0.000 0.951 463 Q HN 0.885 nan 8.270 nan 0.000 0.469 464 E N 0.653 120.865 120.200 0.020 0.000 2.047 464 E HA -0.139 4.211 4.350 -0.001 0.000 0.191 464 E C 1.661 178.270 176.600 0.014 0.000 0.987 464 E CA 1.243 57.653 56.400 0.016 0.000 0.799 464 E CB -0.213 29.493 29.700 0.009 0.000 0.752 464 E HN 0.412 nan 8.360 nan 0.000 0.449 465 I N 0.564 121.138 120.570 0.007 0.000 2.394 465 I HA -0.254 3.915 4.170 -0.001 0.000 0.251 465 I C 2.506 178.624 176.117 0.002 0.000 1.136 465 I CA 0.993 62.290 61.300 -0.006 0.000 1.425 465 I CB -0.318 37.673 38.000 -0.016 0.000 1.079 465 I HN 0.193 nan 8.210 nan 0.000 0.425 466 Q N 0.477 120.292 119.800 0.025 0.000 2.077 466 Q HA -0.300 4.040 4.340 -0.001 0.000 0.206 466 Q C 2.243 178.283 176.000 0.066 0.000 0.989 466 Q CA 1.774 57.608 55.803 0.052 0.000 0.853 466 Q CB -0.185 28.598 28.738 0.076 0.000 0.907 466 Q HN 0.605 nan 8.270 nan 0.000 0.418 467 Q N 0.016 119.853 119.800 0.062 0.000 2.172 467 Q HA -0.154 4.186 4.340 -0.001 0.000 0.200 467 Q C 2.030 178.062 176.000 0.053 0.000 0.964 467 Q CA 0.888 56.734 55.803 0.071 0.000 0.855 467 Q CB 0.062 28.836 28.738 0.060 0.000 0.918 467 Q HN 0.439 nan 8.270 nan 0.000 0.444 468 Q N 0.377 120.195 119.800 0.030 0.000 2.124 468 Q HA -0.112 4.228 4.340 -0.001 0.000 0.202 468 Q C 2.074 178.093 176.000 0.032 0.000 0.977 468 Q CA 0.921 56.738 55.803 0.024 0.000 0.850 468 Q CB -0.006 28.729 28.738 -0.006 0.000 0.901 468 Q HN 0.387 nan 8.270 nan 0.000 0.429 469 L N -0.030 121.191 121.223 -0.004 0.000 2.093 469 L HA -0.156 4.183 4.340 -0.001 0.000 0.208 469 L C 2.378 179.225 176.870 -0.038 0.000 1.085 469 L CA 0.731 55.550 54.840 -0.034 0.000 0.755 469 L CB -0.229 41.783 42.059 -0.079 0.000 0.904 469 L HN 0.147 nan 8.230 nan 0.000 0.435 470 S N -0.550 115.138 115.700 -0.019 0.000 2.368 470 S HA -0.152 4.318 4.470 -0.001 0.000 0.225 470 S C 2.001 176.629 174.600 0.046 0.000 1.030 470 S CA 1.208 59.413 58.200 0.009 0.000 0.999 470 S CB -0.170 63.122 63.200 0.153 0.000 0.844 470 S HN 0.172 nan 8.310 nan 0.000 0.459 471 V N 1.230 121.184 119.914 0.067 0.000 2.307 471 V HA -0.139 3.980 4.120 -0.001 0.000 0.245 471 V C 1.858 177.992 176.094 0.066 0.000 1.045 471 V CA 1.760 64.101 62.300 0.068 0.000 1.024 471 V CB -0.773 31.087 31.823 0.063 0.000 0.651 471 V HN 0.498 nan 8.190 nan 0.000 0.449 472 F N 1.558 121.461 119.950 -0.079 0.000 2.091 472 F HA -0.265 4.261 4.527 -0.001 0.000 0.299 472 F C 2.248 177.969 175.800 -0.133 0.000 1.103 472 F CA 1.838 59.775 58.000 -0.105 0.000 1.228 472 F CB -0.500 38.423 39.000 -0.130 0.000 0.984 472 F HN 0.078 nan 8.300 nan 0.000 0.477 473 A N -0.380 122.374 122.820 -0.110 0.000 1.855 473 A HA -0.216 4.104 4.320 -0.001 0.000 0.215 473 A C 2.080 179.578 177.584 -0.144 0.000 1.191 473 A CA 1.569 53.427 52.037 -0.298 0.000 0.613 473 A CB -1.095 17.417 19.000 -0.814 0.000 0.829 473 A HN 0.502 nan 8.150 nan 0.000 0.442 474 Q N 0.218 120.008 119.800 -0.016 0.000 2.112 474 Q HA -0.214 4.125 4.340 -0.001 0.000 0.206 474 Q C 1.420 177.451 176.000 0.052 0.000 0.987 474 Q CA 2.226 58.078 55.803 0.081 0.000 0.858 474 Q CB -0.385 28.425 28.738 0.120 0.000 0.905 474 Q HN 0.618 nan 8.270 nan 0.000 0.420 475 D N -0.574 119.823 120.400 -0.005 0.000 2.104 475 D HA -0.152 4.487 4.640 -0.001 0.000 0.194 475 D C 1.633 177.942 176.300 0.015 0.000 0.994 475 D CA 1.575 55.589 54.000 0.023 0.000 0.830 475 D CB -0.426 40.351 40.800 -0.038 0.000 0.959 475 D HN 0.406 nan 8.370 nan 0.000 0.452 476 A N 0.614 123.332 122.820 -0.171 0.000 1.877 476 A HA -0.142 4.178 4.320 -0.001 0.000 0.216 476 A C 2.452 180.066 177.584 0.050 0.000 1.186 476 A CA 1.013 52.943 52.037 -0.178 0.000 0.620 476 A CB -0.862 17.924 19.000 -0.356 0.000 0.822 476 A HN 0.211 nan 8.150 nan 0.000 0.443 477 L N -0.338 120.927 121.223 0.071 0.000 1.989 477 L HA -0.248 4.092 4.340 -0.001 0.000 0.211 477 L C 2.424 179.397 176.870 0.172 0.000 1.071 477 L CA 1.483 56.415 54.840 0.153 0.000 0.749 477 L CB -0.721 41.420 42.059 0.138 0.000 0.890 477 L HN 0.369 nan 8.230 nan 0.000 0.431 478 N N -0.509 118.277 118.700 0.144 0.000 2.060 478 N HA -0.291 4.448 4.740 -0.001 0.000 0.195 478 N C 1.409 177.028 175.510 0.182 0.000 1.028 478 N CA 1.536 54.665 53.050 0.132 0.000 0.861 478 N CB -0.554 38.037 38.487 0.173 0.000 1.029 478 N HN 0.498 nan 8.380 nan 0.000 0.428 479 W N 1.963 123.309 121.300 0.076 0.000 2.332 479 W HA -0.121 4.538 4.660 -0.001 0.000 0.321 479 W C 1.898 178.427 176.519 0.018 0.000 1.219 479 W CA 1.046 58.439 57.345 0.080 0.000 1.277 479 W CB -0.635 28.908 29.460 0.138 0.000 1.161 479 W HN 0.022 nan 8.180 nan 0.000 0.476 480 I N 1.316 122.080 120.570 0.324 0.000 2.185 480 I HA -0.307 3.862 4.170 -0.001 0.000 0.246 480 I C 1.764 177.861 176.117 -0.034 0.000 1.088 480 I CA 1.834 63.229 61.300 0.158 0.000 1.347 480 I CB -0.933 37.199 38.000 0.220 0.000 1.041 480 I HN -0.099 nan 8.210 nan 0.000 0.415 481 V N -1.737 118.160 119.914 -0.029 0.000 2.993 481 V HA 0.679 4.798 4.120 -0.001 0.000 0.377 481 V C 0.908 176.824 176.094 -0.297 0.000 1.318 481 V CA 0.180 62.408 62.300 -0.120 0.000 1.312 481 V CB -0.425 31.389 31.823 -0.015 0.000 1.342 481 V HN 0.554 nan 8.190 nan 0.000 0.544 482 G N 0.711 109.244 108.800 -0.445 0.000 2.231 482 G HA2 -0.192 3.767 3.960 -0.001 0.000 0.206 482 G HA3 -0.192 3.767 3.960 -0.001 0.000 0.206 482 G C -0.009 174.680 174.900 -0.351 0.000 0.996 482 G CA -0.007 44.582 45.100 -0.851 0.000 0.645 482 G HN 0.554 nan 8.290 nan 0.000 0.498 483 L N 2.458 123.605 121.223 -0.127 0.000 2.387 483 L HA 0.515 4.855 4.340 -0.001 0.000 0.267 483 L C 0.165 177.021 176.870 -0.024 0.000 1.197 483 L CA -0.132 54.763 54.840 0.091 0.000 1.070 483 L CB -0.505 41.691 42.059 0.228 0.000 1.349 483 L HN 0.596 nan 8.230 nan 0.000 0.422 484 N N 1.111 119.646 118.700 -0.276 0.000 2.825 484 N HA 0.462 5.202 4.740 -0.001 0.000 0.253 484 N C -2.643 172.525 175.510 -0.570 0.000 1.426 484 N CA -1.541 50.913 53.050 -0.992 0.000 0.851 484 N CB 1.059 38.475 38.487 -1.784 0.000 1.470 484 N HN -0.232 nan 8.380 nan 0.000 0.517 485 P HA -0.048 nan 4.420 nan 0.000 0.226 485 P C -0.171 176.817 177.300 -0.520 0.000 1.146 485 P CA 1.154 64.012 63.100 -0.402 0.000 0.773 485 P CB -0.138 31.245 31.700 -0.529 0.000 0.772 486 Y N -1.836 118.262 120.300 -0.336 0.000 2.458 486 Y HA 0.140 4.689 4.550 -0.001 0.000 0.256 486 Y C 0.742 176.540 175.900 -0.170 0.000 1.159 486 Y CA -0.291 57.658 58.100 -0.251 0.000 1.261 486 Y CB -0.423 37.824 38.460 -0.356 0.000 1.119 486 Y HN -0.113 nan 8.280 nan 0.000 0.524 487 D N 1.156 121.536 120.400 -0.033 0.000 2.686 487 D HA -0.262 4.378 4.640 -0.001 0.000 0.235 487 D C -0.288 176.094 176.300 0.136 0.000 1.160 487 D CA 0.798 54.865 54.000 0.112 0.000 0.645 487 D CB -0.865 40.011 40.800 0.126 0.000 1.039 487 D HN 0.398 nan 8.370 nan 0.000 0.423 488 M N 0.956 120.482 119.600 -0.124 0.000 2.197 488 M HA 0.316 4.795 4.480 -0.001 0.000 0.301 488 M C -0.893 175.175 176.300 -0.387 0.000 0.987 488 M CA -0.880 54.306 55.300 -0.189 0.000 0.921 488 M CB 1.479 33.893 32.600 -0.310 0.000 1.569 488 M HN 0.271 nan 8.290 nan 0.000 0.431 489 C N 6.542 125.650 119.300 -0.320 0.000 2.482 489 C HA 0.377 4.837 4.460 -0.001 0.000 0.378 489 C C 1.134 176.016 174.990 -0.180 0.000 1.284 489 C CA -0.350 58.489 59.018 -0.298 0.000 1.826 489 C CB -0.320 27.348 27.740 -0.120 0.000 2.473 489 C HN 1.135 nan 8.230 nan 0.000 0.562 490 M N 4.331 123.814 119.600 -0.195 0.000 2.502 490 M HA 0.132 4.612 4.480 -0.001 0.000 0.243 490 M C 0.281 176.495 176.300 -0.144 0.000 1.130 490 M CA 0.032 55.239 55.300 -0.155 0.000 1.055 490 M CB -0.038 32.472 32.600 -0.150 0.000 1.457 490 M HN 0.594 nan 8.290 nan 0.000 0.488 491 L N 1.591 122.707 121.223 -0.178 0.000 2.315 491 L HA 0.233 4.572 4.340 -0.001 0.000 0.283 491 L C -0.458 176.375 176.870 -0.062 0.000 1.089 491 L CA 0.086 54.799 54.840 -0.211 0.000 0.833 491 L CB 0.312 42.164 42.059 -0.344 0.000 1.170 491 L HN -0.038 nan 8.230 nan 0.000 0.442 492 D N 3.713 124.075 120.400 -0.065 0.000 2.308 492 D HA 0.509 5.148 4.640 -0.001 0.000 0.251 492 D C 1.015 177.333 176.300 0.030 0.000 1.127 492 D CA 1.173 55.171 54.000 -0.005 0.000 0.876 492 D CB 0.807 41.602 40.800 -0.007 0.000 1.176 492 D HN 0.884 nan 8.370 nan 0.000 0.446 493 G N 2.847 111.648 108.800 0.002 0.000 2.195 493 G HA2 -0.193 3.766 3.960 -0.001 0.000 0.224 493 G HA3 -0.193 3.766 3.960 -0.001 0.000 0.224 493 G C 0.030 174.759 174.900 -0.285 0.000 0.990 493 G CA -0.217 44.820 45.100 -0.105 0.000 0.639 493 G HN 0.653 nan 8.290 nan 0.000 0.514 494 H N -0.123 118.960 119.070 0.021 0.000 2.747 494 H HA 0.542 5.098 4.556 -0.001 0.000 0.371 494 H C 1.018 176.387 175.328 0.069 0.000 1.161 494 H CA 0.263 56.338 56.048 0.044 0.000 1.167 494 H CB 1.401 31.184 29.762 0.034 0.000 1.732 494 H HN 1.198 nan 8.280 nan 0.000 0.544 495 G N 1.958 110.899 108.800 0.235 0.000 2.574 495 G HA2 -0.295 3.665 3.960 -0.001 0.000 0.282 495 G HA3 -0.295 3.665 3.960 -0.001 0.000 0.282 495 G C -0.384 174.639 174.900 0.206 0.000 1.257 495 G CA 0.267 45.532 45.100 0.276 0.000 0.956 495 G HN 0.728 nan 8.290 nan 0.000 0.560 496 R N -0.367 120.322 120.500 0.315 0.000 2.888 496 R HA 0.656 4.996 4.340 -0.001 0.000 0.264 496 R C 0.220 176.611 176.300 0.153 0.000 1.045 496 R CA -0.581 55.607 56.100 0.146 0.000 0.962 496 R CB 0.739 31.055 30.300 0.026 0.000 1.210 496 R HN 0.648 nan 8.270 nan 0.000 0.479 497 N N 0.727 119.476 118.700 0.082 0.000 2.740 497 N HA -0.162 4.577 4.740 -0.001 0.000 0.248 497 N C -1.118 174.412 175.510 0.033 0.000 1.062 497 N CA 0.638 53.722 53.050 0.057 0.000 0.704 497 N CB -1.278 37.243 38.487 0.056 0.000 0.968 497 N HN 0.612 nan 8.380 nan 0.000 0.547 498 N N 1.803 120.529 118.700 0.044 0.000 2.447 498 N HA 0.146 4.885 4.740 -0.001 0.000 0.263 498 N C -1.942 173.613 175.510 0.074 0.000 1.226 498 N CA -0.324 52.748 53.050 0.038 0.000 0.906 498 N CB 0.352 38.868 38.487 0.047 0.000 1.060 498 N HN 0.266 nan 8.380 nan 0.000 0.468 499 P HA 0.225 nan 4.420 nan 0.000 0.284 499 P C -0.334 177.082 177.300 0.193 0.000 1.253 499 P CA -0.318 62.898 63.100 0.195 0.000 0.800 499 P CB 1.178 33.099 31.700 0.368 0.000 0.961 500 D N 0.308 120.822 120.400 0.190 0.000 2.432 500 D HA 0.136 4.775 4.640 -0.001 0.000 0.258 500 D C 0.128 176.587 176.300 0.264 0.000 1.146 500 D CA -0.362 53.769 54.000 0.218 0.000 1.015 500 D CB 0.957 41.874 40.800 0.194 0.000 1.107 500 D HN 0.280 nan 8.370 nan 0.000 0.529 501 Y N 0.367 120.742 120.300 0.124 0.000 2.680 501 Y HA 0.393 4.942 4.550 -0.001 0.000 0.217 501 Y C -0.037 175.915 175.900 0.087 0.000 1.016 501 Y CA 0.679 58.845 58.100 0.111 0.000 1.430 501 Y CB -0.021 38.526 38.460 0.144 0.000 1.168 501 Y HN 0.256 nan 8.280 nan 0.000 0.486 502 L N 3.022 124.004 121.223 -0.402 0.000 2.556 502 L HA 0.309 4.648 4.340 -0.001 0.000 0.243 502 L C -2.015 174.651 176.870 -0.341 0.000 1.331 502 L CA -1.490 53.124 54.840 -0.377 0.000 0.927 502 L CB 1.529 43.327 42.059 -0.435 0.000 1.219 502 L HN 0.197 nan 8.230 nan 0.000 0.490 503 P HA -0.227 nan 4.420 nan 0.000 0.218 503 P C 1.233 178.157 177.300 -0.627 0.000 1.148 503 P CA 1.137 63.788 63.100 -0.748 0.000 0.822 503 P CB 0.220 31.809 31.700 -0.185 0.000 0.784 504 Q N -0.726 118.829 119.800 -0.407 0.000 2.436 504 Q HA -0.144 4.196 4.340 -0.001 0.000 0.209 504 Q C 0.757 176.361 176.000 -0.661 0.000 0.965 504 Q CA 1.401 56.932 55.803 -0.453 0.000 0.910 504 Q CB -0.898 27.575 28.738 -0.441 0.000 0.980 504 Q HN 0.332 nan 8.270 nan 0.000 0.491 505 Y N -0.191 119.827 120.300 -0.470 0.000 2.531 505 Y HA 0.416 4.965 4.550 -0.001 0.000 0.249 505 Y C 1.342 176.636 175.900 -1.011 0.000 1.168 505 Y CA 0.077 57.803 58.100 -0.624 0.000 1.226 505 Y CB 0.980 39.093 38.460 -0.578 0.000 1.177 505 Y HN 0.274 nan 8.280 nan 0.000 0.527 506 G N 0.062 108.392 108.800 -0.785 0.000 2.136 506 G HA2 -0.294 3.666 3.960 -0.001 0.000 0.242 506 G HA3 -0.294 3.666 3.960 -0.001 0.000 0.242 506 G C -0.325 174.222 174.900 -0.590 0.000 0.989 506 G CA -0.197 44.500 45.100 -0.673 0.000 0.682 506 G HN 0.171 nan 8.290 nan 0.000 0.522 507 F N 0.886 120.656 119.950 -0.301 0.000 2.395 507 F HA 0.621 5.147 4.527 -0.001 0.000 0.347 507 F C 0.537 176.326 175.800 -0.019 0.000 1.157 507 F CA -2.017 55.964 58.000 -0.032 0.000 1.272 507 F CB -0.345 38.709 39.000 0.090 0.000 1.607 507 F HN 0.012 nan 8.300 nan 0.000 0.571 508 F N 0.580 120.705 119.950 0.292 0.000 2.375 508 F HA 0.316 4.843 4.527 -0.001 0.000 0.333 508 F C 1.030 176.985 175.800 0.259 0.000 1.104 508 F CA -0.683 57.453 58.000 0.227 0.000 1.149 508 F CB 0.479 39.566 39.000 0.146 0.000 1.190 508 F HN 0.150 nan 8.300 nan 0.000 0.533 509 N N 0.976 119.935 118.700 0.431 0.000 2.479 509 N HA 0.398 5.137 4.740 -0.001 0.000 0.257 509 N C -0.534 175.141 175.510 0.275 0.000 1.232 509 N CA -0.186 53.054 53.050 0.316 0.000 0.920 509 N CB 0.930 39.563 38.487 0.244 0.000 1.105 509 N HN 0.670 nan 8.380 nan 0.000 0.444 510 A N 1.846 124.816 122.820 0.251 0.000 2.305 510 A HA 0.331 4.651 4.320 -0.001 0.000 0.322 510 A C 0.067 177.742 177.584 0.152 0.000 1.187 510 A CA -0.760 51.423 52.037 0.244 0.000 0.825 510 A CB 0.547 19.774 19.000 0.378 0.000 1.164 510 A HN 0.388 nan 8.150 nan 0.000 0.498 511 K N 0.817 121.294 120.400 0.128 0.000 2.524 511 K HA 0.209 4.529 4.320 -0.001 0.000 0.279 511 K C 1.282 177.945 176.600 0.104 0.000 0.993 511 K CA 1.383 57.722 56.287 0.086 0.000 1.030 511 K CB 0.198 32.743 32.500 0.075 0.000 0.891 511 K HN 1.699 nan 8.250 nan 0.000 0.488 512 G N 1.453 110.277 108.800 0.040 0.000 2.179 512 G HA2 -0.247 3.712 3.960 -0.001 0.000 0.260 512 G HA3 -0.247 3.712 3.960 -0.001 0.000 0.260 512 G C 0.538 175.205 174.900 -0.389 0.000 0.977 512 G CA 0.249 45.355 45.100 0.010 0.000 0.641 512 G HN 0.874 nan 8.290 nan 0.000 0.533 513 G N -1.081 107.310 108.800 -0.682 0.000 2.437 513 G HA2 0.677 4.637 3.960 -0.001 0.000 0.319 513 G HA3 0.677 4.637 3.960 -0.001 0.000 0.319 513 G C -0.515 174.038 174.900 -0.579 0.000 1.158 513 G CA 0.004 44.291 45.100 -1.355 0.000 0.899 513 G HN 0.931 nan 8.290 nan 0.000 0.502 514 V N 0.546 120.195 119.914 -0.442 0.000 2.495 514 V HA 0.340 4.460 4.120 -0.001 0.000 0.298 514 V C 0.815 176.882 176.094 -0.045 0.000 1.031 514 V CA -0.989 61.200 62.300 -0.185 0.000 0.871 514 V CB 0.835 32.598 31.823 -0.100 0.000 0.988 514 V HN 1.149 nan 8.190 nan 0.000 0.432 515 C N 3.560 122.828 119.300 -0.053 0.000 2.411 515 C HA 0.452 4.911 4.460 -0.001 0.000 0.358 515 C C 1.881 176.729 174.990 -0.237 0.000 1.349 515 C CA -0.572 58.443 59.018 -0.005 0.000 2.326 515 C CB 0.066 27.858 27.740 0.087 0.000 2.166 515 C HN 0.824 nan 8.230 nan 0.000 0.609 516 N N 1.052 119.664 118.700 -0.147 0.000 2.006 516 N HA 0.271 5.010 4.740 -0.001 0.000 0.196 516 N C 1.108 176.561 175.510 -0.095 0.000 1.057 516 N CA 2.432 55.338 53.050 -0.240 0.000 0.853 516 N CB -1.019 37.447 38.487 -0.034 0.000 1.051 516 N HN 1.339 nan 8.380 nan 0.000 0.423 517 G N -0.208 108.693 108.800 0.168 0.000 2.342 517 G HA2 -0.115 3.845 3.960 -0.001 0.000 0.220 517 G HA3 -0.115 3.845 3.960 -0.001 0.000 0.220 517 G C -0.904 174.281 174.900 0.474 0.000 1.243 517 G CA -0.399 44.891 45.100 0.317 0.000 1.083 517 G HN 0.151 nan 8.290 nan 0.000 0.500 518 I N 1.967 122.758 120.570 0.368 0.000 2.472 518 I HA 0.529 4.699 4.170 -0.001 0.000 0.290 518 I C 1.244 177.297 176.117 -0.107 0.000 1.016 518 I CA 0.245 61.683 61.300 0.229 0.000 1.348 518 I CB 1.545 39.657 38.000 0.188 0.000 1.417 518 I HN 0.924 nan 8.210 nan 0.000 0.521 519 T N 1.590 115.986 114.554 -0.264 0.000 2.858 519 T HA 0.637 4.987 4.350 -0.001 0.000 0.285 519 T C 0.217 174.316 174.700 -1.001 0.000 1.052 519 T CA -0.795 60.966 62.100 -0.565 0.000 1.009 519 T CB 1.314 70.276 68.868 0.156 0.000 1.241 519 T HN 0.667 nan 8.240 nan 0.000 0.542 520 G N -0.748 107.707 108.800 -0.576 0.000 2.636 520 G HA2 0.473 4.433 3.960 -0.001 0.000 0.246 520 G HA3 0.473 4.433 3.960 -0.001 0.000 0.246 520 G C 0.580 175.437 174.900 -0.072 0.000 1.216 520 G CA -0.373 44.617 45.100 -0.184 0.000 0.854 520 G HN 1.012 nan 8.290 nan 0.000 0.572 521 G N -0.947 107.831 108.800 -0.035 0.000 2.491 521 G HA2 0.252 4.211 3.960 -0.001 0.000 0.238 521 G HA3 0.252 4.211 3.960 -0.001 0.000 0.238 521 G C 0.607 175.581 174.900 0.125 0.000 1.277 521 G CA -0.280 44.864 45.100 0.074 0.000 0.851 521 G HN 0.456 nan 8.290 nan 0.000 0.573 522 F N 0.904 120.948 119.950 0.155 0.000 2.095 522 F HA -0.092 4.434 4.527 -0.001 0.000 0.298 522 F C 2.510 178.377 175.800 0.110 0.000 1.104 522 F CA 2.243 60.385 58.000 0.237 0.000 1.232 522 F CB 0.264 39.449 39.000 0.309 0.000 0.987 522 F HN 0.528 nan 8.300 nan 0.000 0.475 523 E N -0.932 119.414 120.200 0.243 0.000 2.250 523 E HA -0.002 4.348 4.350 -0.001 0.000 0.192 523 E C -0.282 176.316 176.600 -0.004 0.000 0.986 523 E CA 0.678 57.148 56.400 0.116 0.000 0.849 523 E CB 0.161 29.955 29.700 0.156 0.000 0.797 523 E HN 0.210 nan 8.360 nan 0.000 0.482 524 D N -0.361 120.028 120.400 -0.018 0.000 2.575 524 D HA 0.104 4.743 4.640 -0.001 0.000 0.250 524 D C -0.240 176.005 176.300 -0.091 0.000 1.279 524 D CA -0.197 53.774 54.000 -0.048 0.000 0.925 524 D CB 0.928 41.736 40.800 0.012 0.000 1.261 524 D HN -0.143 nan 8.370 nan 0.000 0.567 525 E N 1.657 121.734 120.200 -0.205 0.000 2.418 525 E HA -0.084 4.266 4.350 -0.001 0.000 0.197 525 E C 0.798 177.395 176.600 -0.006 0.000 1.026 525 E CA 0.498 56.732 56.400 -0.277 0.000 0.862 525 E CB 0.520 29.938 29.700 -0.470 0.000 0.799 525 E HN 0.468 nan 8.360 nan 0.000 0.518 526 E N 0.797 121.032 120.200 0.057 0.000 2.299 526 E HA -0.029 4.320 4.350 -0.001 0.000 0.193 526 E C 0.614 177.402 176.600 0.312 0.000 0.998 526 E CA 0.344 56.851 56.400 0.179 0.000 0.851 526 E CB 0.072 29.837 29.700 0.108 0.000 0.795 526 E HN 0.182 nan 8.360 nan 0.000 0.492 527 D N 0.169 120.704 120.400 0.225 0.000 2.414 527 D HA 0.230 4.869 4.640 -0.001 0.000 0.259 527 D C -0.181 176.199 176.300 0.133 0.000 1.269 527 D CA -0.323 53.833 54.000 0.261 0.000 1.028 527 D CB 0.901 41.809 40.800 0.180 0.000 1.093 527 D HN -0.084 nan 8.370 nan 0.000 0.545 528 I N -0.374 120.190 120.570 -0.011 0.000 2.689 528 I HA 0.603 4.772 4.170 -0.001 0.000 0.299 528 I C -1.531 174.597 176.117 0.018 0.000 1.059 528 I CA -0.590 60.557 61.300 -0.254 0.000 1.055 528 I CB 1.723 39.177 38.000 -0.910 0.000 1.243 528 I HN 0.413 nan 8.210 nan 0.000 0.425 529 A N 6.017 128.803 122.820 -0.057 0.000 2.455 529 A HA 0.760 5.080 4.320 -0.001 0.000 0.300 529 A C -1.972 175.410 177.584 -0.338 0.000 1.040 529 A CA -0.328 51.667 52.037 -0.070 0.000 0.697 529 A CB 1.308 20.297 19.000 -0.017 0.000 1.265 529 A HN 0.601 nan 8.150 nan 0.000 0.407 530 F N 1.797 121.188 119.950 -0.931 0.000 2.617 530 F HA 0.407 4.933 4.527 -0.001 0.000 0.325 530 F C 0.196 175.324 175.800 -1.120 0.000 1.179 530 F CA -0.243 57.023 58.000 -1.223 0.000 0.965 530 F CB 1.342 39.521 39.000 -1.368 0.000 1.232 530 F HN 0.839 nan 8.300 nan 0.000 0.461 531 N N 4.487 122.050 118.700 -1.895 0.000 2.686 531 N HA -0.173 4.567 4.740 -0.001 0.000 0.261 531 N C -2.625 172.384 175.510 -0.834 0.000 1.001 531 N CA 0.039 52.342 53.050 -1.244 0.000 0.764 531 N CB -0.681 37.424 38.487 -0.637 0.000 0.898 531 N HN 0.244 nan 8.380 nan 0.000 0.544 532 P HA -0.017 nan 4.420 nan 0.000 0.266 532 P C -1.686 175.395 177.300 -0.365 0.000 1.195 532 P CA -0.989 61.821 63.100 -0.484 0.000 0.768 532 P CB 0.565 32.028 31.700 -0.394 0.000 0.838 533 P HA -0.202 nan 4.420 nan 0.000 0.218 533 P C 1.197 178.393 177.300 -0.173 0.000 1.146 533 P CA 1.639 64.632 63.100 -0.178 0.000 0.813 533 P CB -0.307 31.317 31.700 -0.127 0.000 0.778 534 A N -0.838 121.867 122.820 -0.192 0.000 2.066 534 A HA -0.116 4.204 4.320 -0.001 0.000 0.218 534 A C 2.011 179.455 177.584 -0.233 0.000 1.157 534 A CA 1.343 53.269 52.037 -0.186 0.000 0.670 534 A CB -0.605 18.290 19.000 -0.176 0.000 0.804 534 A HN 0.166 nan 8.150 nan 0.000 0.453 535 Q N -1.398 118.237 119.800 -0.274 0.000 2.245 535 Q HA 0.181 4.521 4.340 -0.001 0.000 0.236 535 Q C 1.622 177.545 176.000 -0.129 0.000 0.842 535 Q CA 0.450 56.117 55.803 -0.228 0.000 0.945 535 Q CB 0.213 28.814 28.738 -0.228 0.000 1.122 535 Q HN 0.618 nan 8.270 nan 0.000 0.506 536 K N 1.080 121.356 120.400 -0.206 0.000 2.107 536 K HA -0.235 4.084 4.320 -0.001 0.000 0.211 536 K C 0.043 176.591 176.600 -0.087 0.000 1.049 536 K CA 1.822 58.002 56.287 -0.178 0.000 0.927 536 K CB 0.106 32.491 32.500 -0.193 0.000 0.714 536 K HN 0.178 nan 8.250 nan 0.000 0.452 537 D N 0.235 120.588 120.400 -0.078 0.000 2.395 537 D HA 0.002 4.641 4.640 -0.001 0.000 0.213 537 D C -0.483 175.797 176.300 -0.033 0.000 1.110 537 D CA 0.115 54.085 54.000 -0.050 0.000 0.835 537 D CB 0.274 41.044 40.800 -0.050 0.000 0.965 537 D HN 0.181 nan 8.370 nan 0.000 0.505 538 D N 0.837 121.215 120.400 -0.037 0.000 2.359 538 D HA 0.142 4.781 4.640 -0.001 0.000 0.230 538 D C 1.236 177.535 176.300 -0.003 0.000 1.118 538 D CA -0.287 53.697 54.000 -0.028 0.000 0.844 538 D CB 1.033 41.801 40.800 -0.054 0.000 1.059 538 D HN -0.160 nan 8.370 nan 0.000 0.493 539 M N 2.855 122.455 119.600 -0.001 0.000 2.446 539 M HA -0.093 4.386 4.480 -0.001 0.000 0.263 539 M C 1.411 177.743 176.300 0.053 0.000 1.066 539 M CA 0.954 56.258 55.300 0.006 0.000 1.087 539 M CB 0.196 32.765 32.600 -0.052 0.000 1.406 539 M HN 0.481 nan 8.290 nan 0.000 0.459 540 L N -0.853 120.396 121.223 0.043 0.000 2.509 540 L HA -0.093 4.246 4.340 -0.001 0.000 0.222 540 L C 2.121 179.106 176.870 0.191 0.000 1.123 540 L CA 0.307 55.198 54.840 0.085 0.000 0.856 540 L CB -0.147 41.932 42.059 0.033 0.000 0.985 540 L HN 0.304 nan 8.230 nan 0.000 0.456 541 Q N -0.607 119.206 119.800 0.022 0.000 2.477 541 Q HA 0.055 4.394 4.340 -0.001 0.000 0.252 541 Q C 1.418 177.081 176.000 -0.562 0.000 0.869 541 Q CA 0.415 56.045 55.803 -0.288 0.000 0.969 541 Q CB -0.199 28.446 28.738 -0.155 0.000 1.144 541 Q HN 0.489 nan 8.270 nan 0.000 0.577 542 N N 1.309 119.935 118.700 -0.123 0.000 2.575 542 N HA -0.113 4.626 4.740 -0.001 0.000 0.192 542 N C 1.238 176.768 175.510 0.033 0.000 1.200 542 N CA 0.400 53.465 53.050 0.025 0.000 0.897 542 N CB -0.639 37.911 38.487 0.106 0.000 0.990 542 N HN 0.444 nan 8.380 nan 0.000 0.449 543 W N 0.193 121.421 121.300 -0.119 0.000 2.678 543 W HA 0.189 4.849 4.660 -0.001 0.000 0.256 543 W C 0.896 177.120 176.519 -0.493 0.000 1.280 543 W CA -0.352 56.859 57.345 -0.222 0.000 1.345 543 W CB -0.586 28.701 29.460 -0.288 0.000 1.118 543 W HN 0.029 nan 8.180 nan 0.000 0.629 544 R N -0.483 119.112 120.500 -1.509 0.000 2.148 544 R HA -0.074 4.266 4.340 -0.001 0.000 0.223 544 R C 2.059 177.602 176.300 -1.261 0.000 1.088 544 R CA 1.833 56.791 56.100 -1.904 0.000 0.985 544 R CB -0.285 28.280 30.300 -2.891 0.000 0.880 544 R HN 0.184 nan 8.270 nan 0.000 0.451 545 W N -1.597 119.371 121.300 -0.553 0.000 3.103 545 W HA 0.291 4.951 4.660 -0.001 0.000 0.258 545 W C 2.026 178.374 176.519 -0.286 0.000 1.001 545 W CA 0.577 57.587 57.345 -0.559 0.000 1.940 545 W CB -0.963 27.779 29.460 -1.197 0.000 1.116 545 W HN 0.104 nan 8.180 nan 0.000 0.600 546 G N 0.384 109.173 108.800 -0.019 0.000 2.683 546 G HA2 -0.052 3.907 3.960 -0.001 0.000 0.213 546 G HA3 -0.052 3.907 3.960 -0.001 0.000 0.213 546 G C 0.396 175.372 174.900 0.127 0.000 1.142 546 G CA -0.128 45.069 45.100 0.161 0.000 0.793 546 G HN 0.115 nan 8.290 nan 0.000 0.534 547 E N 0.646 120.788 120.200 -0.097 0.000 2.373 547 E HA 0.208 4.558 4.350 -0.001 0.000 0.267 547 E C -0.071 176.522 176.600 -0.011 0.000 1.032 547 E CA -0.199 55.993 56.400 -0.346 0.000 0.889 547 E CB 0.402 29.676 29.700 -0.710 0.000 0.984 547 E HN 0.299 nan 8.360 nan 0.000 0.425 548 Q N 2.467 122.315 119.800 0.080 0.000 2.227 548 Q HA 0.333 4.673 4.340 -0.001 0.000 0.245 548 Q C -1.229 175.027 176.000 0.426 0.000 0.926 548 Q CA -0.430 55.523 55.803 0.250 0.000 0.895 548 Q CB 1.228 30.096 28.738 0.216 0.000 1.230 548 Q HN 0.502 nan 8.270 nan 0.000 0.450 549 W N 3.292 124.801 121.300 0.350 0.000 3.097 549 W HA 0.283 4.943 4.660 -0.001 0.000 0.335 549 W C 0.259 176.937 176.519 0.265 0.000 1.114 549 W CA -1.173 56.340 57.345 0.280 0.000 1.231 549 W CB 0.681 30.303 29.460 0.269 0.000 1.388 549 W HN 0.708 nan 8.180 nan 0.000 0.485 550 I N 2.966 123.574 120.570 0.064 0.000 2.248 550 I HA -0.108 4.062 4.170 -0.001 0.000 0.248 550 I C -1.053 175.046 176.117 -0.030 0.000 1.107 550 I CA 1.085 62.420 61.300 0.057 0.000 1.373 550 I CB -1.591 36.484 38.000 0.124 0.000 1.055 550 I HN 0.167 nan 8.210 nan 0.000 0.418 551 P HA -0.147 nan 4.420 nan 0.000 0.218 551 P C 1.456 178.804 177.300 0.081 0.000 1.149 551 P CA 1.675 64.604 63.100 -0.285 0.000 0.817 551 P CB -0.320 31.004 31.700 -0.627 0.000 0.785 552 H N -0.668 118.548 119.070 0.243 0.000 2.289 552 H HA -0.086 4.470 4.556 -0.001 0.000 0.296 552 H C 2.262 177.771 175.328 0.302 0.000 1.091 552 H CA 2.018 58.256 56.048 0.317 0.000 1.274 552 H CB -1.338 28.588 29.762 0.274 0.000 1.364 552 H HN 0.171 nan 8.280 nan 0.000 0.490 553 G N 0.330 109.337 108.800 0.346 0.000 2.408 553 G HA2 -0.136 3.824 3.960 -0.001 0.000 0.217 553 G HA3 -0.136 3.824 3.960 -0.001 0.000 0.217 553 G C 2.025 177.218 174.900 0.488 0.000 1.150 553 G CA 1.171 46.459 45.100 0.312 0.000 0.776 553 G HN 0.541 nan 8.290 nan 0.000 0.542 554 A N 0.139 123.214 122.820 0.425 0.000 1.902 554 A HA -0.027 4.292 4.320 -0.001 0.000 0.217 554 A C 2.199 179.781 177.584 -0.005 0.000 1.181 554 A CA 1.354 53.440 52.037 0.082 0.000 0.623 554 A CB -0.665 18.209 19.000 -0.210 0.000 0.818 554 A HN 0.529 nan 8.150 nan 0.000 0.443 555 W N -2.011 119.397 121.300 0.181 0.000 2.418 555 W HA -0.064 4.596 4.660 -0.001 0.000 0.292 555 W C 2.145 178.776 176.519 0.186 0.000 1.213 555 W CA 0.978 58.421 57.345 0.163 0.000 1.283 555 W CB -0.375 29.178 29.460 0.157 0.000 1.119 555 W HN 0.537 nan 8.180 nan 0.000 0.542 556 Y N 0.875 121.384 120.300 0.349 0.000 2.114 556 Y HA -0.306 4.244 4.550 -0.001 0.000 0.284 556 Y C 2.403 178.412 175.900 0.183 0.000 1.143 556 Y CA 2.111 60.354 58.100 0.239 0.000 1.135 556 Y CB -0.946 37.622 38.460 0.181 0.000 0.980 556 Y HN -0.062 nan 8.280 nan 0.000 0.499 557 L N -0.433 120.923 121.223 0.222 0.000 2.013 557 L HA -0.240 4.099 4.340 -0.001 0.000 0.212 557 L C 2.298 179.152 176.870 -0.027 0.000 1.073 557 L CA 1.922 56.810 54.840 0.081 0.000 0.753 557 L CB -0.625 41.526 42.059 0.153 0.000 0.890 557 L HN 0.445 nan 8.230 nan 0.000 0.432 558 L N 0.082 121.317 121.223 0.020 0.000 2.056 558 L HA -0.052 4.287 4.340 -0.001 0.000 0.207 558 L C 2.634 179.554 176.870 0.084 0.000 1.078 558 L CA 1.968 56.825 54.840 0.028 0.000 0.749 558 L CB -1.050 41.029 42.059 0.034 0.000 0.901 558 L HN 0.300 nan 8.230 nan 0.000 0.433 559 A N 0.395 123.294 122.820 0.131 0.000 1.917 559 A HA -0.247 4.072 4.320 -0.001 0.000 0.219 559 A C 2.243 179.836 177.584 0.014 0.000 1.182 559 A CA 2.436 54.551 52.037 0.130 0.000 0.633 559 A CB -1.131 17.941 19.000 0.120 0.000 0.819 559 A HN 0.698 nan 8.150 nan 0.000 0.448 560 I N -4.242 116.217 120.570 -0.185 0.000 2.500 560 I HA -0.094 4.076 4.170 -0.001 0.000 0.252 560 I C 2.327 178.366 176.117 -0.130 0.000 1.142 560 I CA 1.443 62.623 61.300 -0.201 0.000 1.451 560 I CB -0.363 37.428 38.000 -0.348 0.000 1.093 560 I HN 0.200 nan 8.210 nan 0.000 0.430 561 M N 1.908 121.445 119.600 -0.106 0.000 2.200 561 M HA -0.105 4.374 4.480 -0.001 0.000 0.265 561 M C 2.591 178.839 176.300 -0.088 0.000 1.066 561 M CA 2.004 57.246 55.300 -0.097 0.000 1.127 561 M CB -0.340 32.207 32.600 -0.088 0.000 1.379 561 M HN 0.506 nan 8.290 nan 0.000 0.420 562 S N -0.086 115.590 115.700 -0.040 0.000 2.402 562 S HA -0.209 4.261 4.470 -0.001 0.000 0.229 562 S C 1.844 176.293 174.600 -0.252 0.000 1.021 562 S CA 1.175 59.368 58.200 -0.012 0.000 0.974 562 S CB -0.578 62.724 63.200 0.171 0.000 0.800 562 S HN 0.533 nan 8.310 nan 0.000 0.484 563 Q N 1.536 121.075 119.800 -0.435 0.000 2.050 563 Q HA -0.080 4.260 4.340 -0.001 0.000 0.202 563 Q C 2.361 178.180 176.000 -0.302 0.000 0.980 563 Q CA 1.486 56.809 55.803 -0.800 0.000 0.840 563 Q CB -0.599 27.906 28.738 -0.388 0.000 0.898 563 Q HN 0.685 nan 8.270 nan 0.000 0.424 564 A N 0.808 123.544 122.820 -0.141 0.000 1.908 564 A HA -0.261 4.058 4.320 -0.001 0.000 0.218 564 A C 2.053 179.606 177.584 -0.051 0.000 1.181 564 A CA 1.723 53.727 52.037 -0.055 0.000 0.627 564 A CB -0.826 18.040 19.000 -0.224 0.000 0.818 564 A HN 0.551 nan 8.150 nan 0.000 0.445 565 Q N -0.889 118.862 119.800 -0.082 0.000 2.084 565 Q HA -0.264 4.075 4.340 -0.001 0.000 0.202 565 Q C 1.997 177.998 176.000 0.003 0.000 0.978 565 Q CA 2.295 58.075 55.803 -0.038 0.000 0.844 565 Q CB -0.361 28.360 28.738 -0.029 0.000 0.898 565 Q HN 0.908 nan 8.270 nan 0.000 0.426 566 H N 0.425 119.424 119.070 -0.117 0.000 2.319 566 H HA -0.112 4.443 4.556 -0.001 0.000 0.299 566 H C 1.960 177.269 175.328 -0.032 0.000 1.092 566 H CA 2.123 58.123 56.048 -0.080 0.000 1.302 566 H CB -0.162 29.487 29.762 -0.189 0.000 1.373 566 H HN 0.204 nan 8.280 nan 0.000 0.497 567 I N 0.066 120.575 120.570 -0.102 0.000 2.226 567 I HA -0.228 3.941 4.170 -0.001 0.000 0.245 567 I C 2.403 178.496 176.117 -0.040 0.000 1.100 567 I CA 1.263 62.509 61.300 -0.090 0.000 1.374 567 I CB -1.171 36.845 38.000 0.027 0.000 1.057 567 I HN 0.316 nan 8.210 nan 0.000 0.413 568 S N 0.028 115.780 115.700 0.087 0.000 2.368 568 S HA -0.221 4.249 4.470 -0.001 0.000 0.224 568 S C 1.944 176.541 174.600 -0.006 0.000 1.029 568 S CA 1.118 59.371 58.200 0.089 0.000 0.988 568 S CB -0.171 63.088 63.200 0.097 0.000 0.838 568 S HN 0.432 nan 8.310 nan 0.000 0.462 569 Q N 0.444 120.218 119.800 -0.044 0.000 2.170 569 Q HA 0.011 4.350 4.340 -0.001 0.000 0.203 569 Q C 1.977 177.928 176.000 -0.082 0.000 0.976 569 Q CA 0.993 56.763 55.803 -0.056 0.000 0.858 569 Q CB -0.145 28.562 28.738 -0.051 0.000 0.907 569 Q HN 0.471 nan 8.270 nan 0.000 0.433 570 L N -0.766 120.371 121.223 -0.143 0.000 2.027 570 L HA -0.131 4.209 4.340 -0.001 0.000 0.206 570 L C 2.387 179.213 176.870 -0.073 0.000 1.074 570 L CA 1.004 55.766 54.840 -0.130 0.000 0.745 570 L CB -0.508 41.433 42.059 -0.197 0.000 0.898 570 L HN 0.248 nan 8.230 nan 0.000 0.433 571 A N -0.735 122.047 122.820 -0.064 0.000 1.972 571 A HA -0.182 4.138 4.320 -0.001 0.000 0.219 571 A C 2.324 179.894 177.584 -0.024 0.000 1.169 571 A CA 2.192 54.206 52.037 -0.039 0.000 0.635 571 A CB -0.811 18.167 19.000 -0.036 0.000 0.810 571 A HN 0.389 nan 8.150 nan 0.000 0.446 572 T N 0.532 115.074 114.554 -0.021 0.000 2.674 572 T HA -0.135 4.215 4.350 -0.001 0.000 0.265 572 T C 2.185 176.877 174.700 -0.014 0.000 1.039 572 T CA 1.998 64.091 62.100 -0.012 0.000 1.150 572 T CB -0.423 68.439 68.868 -0.010 0.000 0.864 572 T HN 0.772 nan 8.240 nan 0.000 0.427 573 S N 0.935 116.623 115.700 -0.020 0.000 2.603 573 S HA 0.100 4.569 4.470 -0.001 0.000 0.229 573 S C 1.668 176.260 174.600 -0.014 0.000 0.972 573 S CA 0.377 58.568 58.200 -0.016 0.000 0.935 573 S CB -0.241 62.949 63.200 -0.017 0.000 0.769 573 S HN 0.392 nan 8.310 nan 0.000 0.536 574 K N 0.970 121.360 120.400 -0.016 0.000 2.099 574 K HA 0.170 4.490 4.320 -0.001 0.000 0.203 574 K C 0.573 177.168 176.600 -0.008 0.000 1.047 574 K CA 0.383 56.662 56.287 -0.012 0.000 0.963 574 K CB -0.093 32.398 32.500 -0.015 0.000 0.759 574 K HN 0.418 nan 8.250 nan 0.000 0.451 575 N N 0.000 118.695 118.700 -0.008 0.000 1.763 575 N HA 0.000 4.740 4.740 -0.001 0.000 0.220 575 N CA 0.000 53.047 53.050 -0.004 0.000 0.885 575 N CB 0.000 38.485 38.487 -0.003 0.000 1.341 575 N HN 0.000 nan 8.380 nan 0.000 0.667