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 3hbj_1_A DATA FIRST_RESID 10 DATA SEQUENCE GNNLLHVAVL AFPFGTHAAP LLSLVKKIAT EAPKVTFSFF CTTTTNDTLF DATA SEQUENCE SRSNEFLPNI KYYNVHDGLP KGYVSSGNPR EPIFLFIKAM QENFKHVIDE DATA SEQUENCE AVAETGKNIT CLVTDAFFWF GADLAEEMHA KWVPLWTAGP HSLLTHVYTD DATA SEQUENCE LIREKTGSKE VHDVKSIDVL PGFPELKASD LPEGVIKDID VPFATMLHKM DATA SEQUENCE GLELPRANAV AINSFATIHP LIENELNSKF KLLLNVGPFN LTTPQRKVSD DATA SEQUENCE EHGCLEWLDQ HENSSVVYIS FGSVVTPPPH ELTALAESLE ECGFPFIWSF DATA SEQUENCE RGDPKEKLPK GFLERTKTKG KIVAWAPQVE ILKHSSVGVF LTHSGWNSVL DATA SEQUENCE ECIVGGVPMI SRPFFGDQGL NTILTESVLE IGVGVDNGVL TKESIKKALE DATA SEQUENCE LTMSSEKGGI MRQKIVKLKE SAFKAVEQNG TSAMDFTTLI QIVTS 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 10 G HA2 0.000 nan 3.960 nan 0.000 0.244 10 G HA3 0.000 3.965 3.960 0.009 0.000 0.244 10 G C 0.000 174.927 174.900 0.045 0.000 0.946 10 G CA 0.000 45.134 45.100 0.056 0.000 0.502 11 N N -2.264 116.454 118.700 0.030 0.000 2.476 11 N HA 0.604 5.349 4.740 0.009 0.000 0.276 11 N C 1.200 176.719 175.510 0.015 0.000 1.204 11 N CA 0.505 53.569 53.050 0.024 0.000 0.974 11 N CB 0.562 39.061 38.487 0.019 0.000 1.204 11 N HN 1.577 nan 8.380 nan 0.000 0.543 12 N N -0.619 118.089 118.700 0.013 0.000 2.626 12 N HA 0.084 4.829 4.740 0.009 0.000 0.193 12 N C 1.187 176.695 175.510 -0.004 0.000 1.213 12 N CA 0.958 54.011 53.050 0.004 0.000 0.914 12 N CB -0.186 38.305 38.487 0.007 0.000 0.994 12 N HN 0.530 nan 8.380 nan 0.000 0.447 13 L N -0.656 120.568 121.223 0.002 0.000 2.638 13 L HA 0.485 4.830 4.340 0.009 0.000 0.232 13 L C 0.388 177.267 176.870 0.014 0.000 1.099 13 L CA 0.125 54.968 54.840 0.005 0.000 0.883 13 L CB -0.019 42.045 42.059 0.008 0.000 1.136 13 L HN 0.328 nan 8.230 nan 0.000 0.492 14 L N 0.219 121.445 121.223 0.004 0.000 2.349 14 L HA 0.208 4.553 4.340 0.009 0.000 0.275 14 L C -0.319 176.559 176.870 0.014 0.000 1.115 14 L CA 0.060 54.902 54.840 0.003 0.000 0.820 14 L CB 0.569 42.614 42.059 -0.024 0.000 1.135 14 L HN 0.155 nan 8.230 nan 0.000 0.445 15 H N 2.462 121.472 119.070 -0.100 0.000 2.924 15 H HA 0.452 5.014 4.556 0.009 0.000 0.333 15 H C -1.532 173.727 175.328 -0.115 0.000 0.979 15 H CA -0.817 55.164 56.048 -0.111 0.000 1.326 15 H CB 1.739 31.475 29.762 -0.044 0.000 1.600 15 H HN 0.325 nan 8.280 nan 0.000 0.520 16 V N 4.410 124.326 119.914 0.002 0.000 2.370 16 V HA 0.443 4.568 4.120 0.009 0.000 0.279 16 V C 0.241 176.394 176.094 0.099 0.000 1.029 16 V CA -0.487 61.781 62.300 -0.053 0.000 0.870 16 V CB 0.918 32.606 31.823 -0.225 0.000 0.984 16 V HN 0.847 nan 8.190 nan 0.000 0.451 17 A N 5.410 128.268 122.820 0.064 0.000 2.260 17 A HA 0.727 5.052 4.320 0.009 0.000 0.308 17 A C -0.467 177.270 177.584 0.256 0.000 1.254 17 A CA -0.407 51.761 52.037 0.218 0.000 0.874 17 A CB 0.813 19.852 19.000 0.064 0.000 1.153 17 A HN 0.675 nan 8.150 nan 0.000 0.527 18 V N 4.756 124.883 119.914 0.355 0.000 2.334 18 V HA 0.292 4.418 4.120 0.009 0.000 0.281 18 V C -0.267 175.906 176.094 0.133 0.000 1.016 18 V CA -0.181 62.268 62.300 0.249 0.000 0.832 18 V CB 0.787 32.813 31.823 0.339 0.000 0.999 18 V HN 0.727 nan 8.190 nan 0.000 0.439 19 L N 4.879 126.143 121.223 0.068 0.000 2.262 19 L HA 0.806 5.151 4.340 0.009 0.000 0.288 19 L C 0.436 177.457 176.870 0.251 0.000 1.035 19 L CA -0.284 54.535 54.840 -0.035 0.000 0.820 19 L CB 1.273 42.996 42.059 -0.560 0.000 1.204 19 L HN 0.683 nan 8.230 nan 0.000 0.424 20 A N 3.181 126.167 122.820 0.276 0.000 2.320 20 A HA 0.650 4.975 4.320 0.009 0.000 0.334 20 A C -1.063 176.916 177.584 0.658 0.000 1.147 20 A CA -0.419 51.840 52.037 0.371 0.000 0.820 20 A CB 1.068 20.189 19.000 0.201 0.000 1.218 20 A HN 0.525 nan 8.150 nan 0.000 0.482 21 F N 3.154 123.250 119.950 0.243 0.000 2.420 21 F HA 0.485 5.018 4.527 0.009 0.000 0.352 21 F C -1.681 174.127 175.800 0.014 0.000 1.108 21 F CA -2.090 56.019 58.000 0.181 0.000 1.162 21 F CB 1.664 40.579 39.000 -0.140 0.000 1.118 21 F HN 0.374 nan 8.300 nan 0.000 0.510 22 P HA -0.083 nan 4.420 nan 0.000 0.226 22 P C -0.698 176.074 177.300 -0.880 0.000 1.153 22 P CA 1.235 63.758 63.100 -0.962 0.000 0.777 22 P CB -0.052 30.688 31.700 -1.600 0.000 0.794 23 F N -0.390 119.310 119.950 -0.416 0.000 2.458 23 F HA 0.606 5.139 4.527 0.010 0.000 0.330 23 F C 1.603 177.562 175.800 0.265 0.000 1.082 23 F CA -0.351 57.604 58.000 -0.075 0.000 0.995 23 F CB 0.442 39.383 39.000 -0.098 0.000 1.170 23 F HN 0.036 nan 8.300 nan 0.000 0.478 24 G N 1.208 110.282 108.800 0.456 0.000 2.645 24 G HA2 -0.209 3.757 3.960 0.009 0.000 0.246 24 G HA3 -0.209 3.757 3.960 0.009 0.000 0.246 24 G C -0.320 174.850 174.900 0.450 0.000 1.322 24 G CA -0.508 44.896 45.100 0.507 0.000 0.898 24 G HN 0.745 nan 8.290 nan 0.000 0.573 25 T N 1.167 115.979 114.554 0.431 0.000 3.579 25 T HA 0.507 4.862 4.350 0.009 0.000 0.328 25 T C 0.859 175.637 174.700 0.130 0.000 1.481 25 T CA 0.179 62.443 62.100 0.273 0.000 1.144 25 T CB -0.038 68.974 68.868 0.240 0.000 1.205 25 T HN 0.553 nan 8.240 nan 0.000 0.812 26 H N 0.529 119.704 119.070 0.176 0.000 2.381 26 H HA 0.264 4.825 4.556 0.008 0.000 0.252 26 H C 2.315 177.733 175.328 0.150 0.000 0.920 26 H CA 0.615 56.732 56.048 0.115 0.000 1.100 26 H CB 0.353 30.211 29.762 0.160 0.000 1.435 26 H HN 0.539 nan 8.280 nan 0.000 0.454 27 A N 1.505 124.510 122.820 0.308 0.000 1.898 27 A HA -0.032 4.294 4.320 0.009 0.000 0.216 27 A C 2.468 180.201 177.584 0.247 0.000 1.181 27 A CA 1.624 53.859 52.037 0.330 0.000 0.620 27 A CB -0.682 18.507 19.000 0.314 0.000 0.819 27 A HN 0.383 nan 8.150 nan 0.000 0.442 28 A N 0.206 123.109 122.820 0.138 0.000 1.902 28 A HA 0.003 4.328 4.320 0.009 0.000 0.217 28 A C 0.241 177.866 177.584 0.070 0.000 1.181 28 A CA 1.770 53.835 52.037 0.046 0.000 0.623 28 A CB -1.597 17.434 19.000 0.051 0.000 0.818 28 A HN 0.451 nan 8.150 nan 0.000 0.443 29 P HA -0.125 nan 4.420 nan 0.000 0.216 29 P C 1.658 179.070 177.300 0.187 0.000 1.153 29 P CA 0.747 63.995 63.100 0.246 0.000 0.848 29 P CB -0.064 31.826 31.700 0.317 0.000 0.787 30 L N -0.446 120.907 121.223 0.216 0.000 2.017 30 L HA -0.130 4.215 4.340 0.009 0.000 0.208 30 L C 2.119 179.093 176.870 0.174 0.000 1.073 30 L CA 1.774 56.751 54.840 0.228 0.000 0.745 30 L CB -1.694 40.543 42.059 0.297 0.000 0.894 30 L HN -0.123 nan 8.230 nan 0.000 0.432 31 L N -0.972 120.346 121.223 0.158 0.000 2.079 31 L HA -0.184 4.162 4.340 0.009 0.000 0.210 31 L C 2.455 179.240 176.870 -0.141 0.000 1.081 31 L CA 2.052 56.849 54.840 -0.072 0.000 0.752 31 L CB -1.063 40.726 42.059 -0.449 0.000 0.896 31 L HN 0.318 nan 8.230 nan 0.000 0.433 32 S N -0.397 115.210 115.700 -0.156 0.000 2.359 32 S HA -0.199 4.277 4.470 0.009 0.000 0.224 32 S C 1.927 176.371 174.600 -0.261 0.000 1.035 32 S CA 1.657 59.727 58.200 -0.217 0.000 1.018 32 S CB -0.570 62.490 63.200 -0.233 0.000 0.876 32 S HN 0.596 nan 8.310 nan 0.000 0.448 33 L N 1.448 122.459 121.223 -0.352 0.000 2.012 33 L HA -0.114 4.232 4.340 0.009 0.000 0.210 33 L C 2.149 178.985 176.870 -0.057 0.000 1.073 33 L CA 1.335 56.018 54.840 -0.263 0.000 0.748 33 L CB -0.350 41.549 42.059 -0.268 0.000 0.891 33 L HN 0.149 nan 8.230 nan 0.000 0.431 34 V N 0.183 120.073 119.914 -0.041 0.000 2.343 34 V HA -0.318 3.807 4.120 0.009 0.000 0.247 34 V C 2.554 178.511 176.094 -0.229 0.000 1.051 34 V CA 2.070 64.331 62.300 -0.064 0.000 1.036 34 V CB -0.568 31.307 31.823 0.086 0.000 0.654 34 V HN 0.456 nan 8.190 nan 0.000 0.451 35 K N 0.014 120.306 120.400 -0.181 0.000 2.097 35 K HA -0.254 4.072 4.320 0.009 0.000 0.206 35 K C 2.222 178.721 176.600 -0.168 0.000 1.049 35 K CA 1.710 57.883 56.287 -0.190 0.000 0.933 35 K CB -0.191 32.215 32.500 -0.157 0.000 0.717 35 K HN 0.317 nan 8.250 nan 0.000 0.442 36 K N 1.538 121.865 120.400 -0.122 0.000 2.057 36 K HA -0.094 4.231 4.320 0.009 0.000 0.207 36 K C 1.777 178.342 176.600 -0.057 0.000 1.049 36 K CA 1.209 57.436 56.287 -0.100 0.000 0.931 36 K CB -0.079 32.368 32.500 -0.089 0.000 0.714 36 K HN 0.065 nan 8.250 nan 0.000 0.440 37 I N 0.433 120.985 120.570 -0.030 0.000 2.286 37 I HA -0.178 3.998 4.170 0.009 0.000 0.245 37 I C 2.327 178.357 176.117 -0.144 0.000 1.104 37 I CA 1.049 62.350 61.300 0.002 0.000 1.397 37 I CB -0.423 37.624 38.000 0.078 0.000 1.072 37 I HN 0.267 nan 8.210 nan 0.000 0.417 38 A N 0.967 123.473 122.820 -0.523 0.000 1.972 38 A HA -0.209 4.117 4.320 0.009 0.000 0.219 38 A C 2.430 179.955 177.584 -0.099 0.000 1.169 38 A CA 2.240 53.973 52.037 -0.507 0.000 0.635 38 A CB -1.089 17.487 19.000 -0.706 0.000 0.810 38 A HN 0.545 nan 8.150 nan 0.000 0.446 39 T N -2.537 111.960 114.554 -0.094 0.000 2.867 39 T HA -0.087 4.269 4.350 0.009 0.000 0.268 39 T C 1.446 176.148 174.700 0.005 0.000 1.057 39 T CA 1.390 63.469 62.100 -0.035 0.000 1.136 39 T CB -0.221 68.615 68.868 -0.053 0.000 0.874 39 T HN 0.411 nan 8.240 nan 0.000 0.466 40 E N 1.800 122.010 120.200 0.016 0.000 2.371 40 E HA 0.265 4.620 4.350 0.009 0.000 0.194 40 E C 0.949 177.604 176.600 0.092 0.000 1.012 40 E CA 0.613 57.041 56.400 0.048 0.000 0.860 40 E CB 0.138 29.872 29.700 0.057 0.000 0.811 40 E HN 0.694 nan 8.360 nan 0.000 0.502 41 A N 1.997 124.900 122.820 0.139 0.000 3.159 41 A HA 0.295 4.620 4.320 0.009 0.000 0.330 41 A C -1.854 175.867 177.584 0.229 0.000 1.032 41 A CA -1.051 51.103 52.037 0.196 0.000 0.841 41 A CB 0.603 19.770 19.000 0.279 0.000 1.093 41 A HN -0.139 nan 8.150 nan 0.000 0.478 42 P HA -0.184 nan 4.420 nan 0.000 0.221 42 P C 0.829 178.205 177.300 0.127 0.000 1.145 42 P CA 1.240 64.419 63.100 0.131 0.000 0.795 42 P CB 0.261 32.011 31.700 0.082 0.000 0.775 43 K N -0.600 119.865 120.400 0.108 0.000 2.426 43 K HA 0.137 4.462 4.320 0.009 0.000 0.193 43 K C 0.578 177.216 176.600 0.064 0.000 1.028 43 K CA 0.084 56.415 56.287 0.074 0.000 1.047 43 K CB 0.275 32.806 32.500 0.053 0.000 0.821 43 K HN 0.057 nan 8.250 nan 0.000 0.513 44 V N 2.237 122.211 119.914 0.100 0.000 2.546 44 V HA 0.064 4.189 4.120 0.009 0.000 0.284 44 V C 0.265 176.327 176.094 -0.053 0.000 1.050 44 V CA -0.310 61.980 62.300 -0.016 0.000 0.981 44 V CB 1.508 33.288 31.823 -0.071 0.000 0.990 44 V HN 0.099 nan 8.190 nan 0.000 0.474 45 T N 5.914 120.367 114.554 -0.167 0.000 2.771 45 T HA 0.533 4.888 4.350 0.009 0.000 0.291 45 T C -0.587 173.983 174.700 -0.216 0.000 0.954 45 T CA 0.183 62.215 62.100 -0.112 0.000 1.045 45 T CB 0.069 68.808 68.868 -0.216 0.000 0.917 45 T HN 0.326 nan 8.240 nan 0.000 0.484 46 F N 1.748 121.789 119.950 0.152 0.000 2.426 46 F HA 0.424 4.956 4.527 0.009 0.000 0.348 46 F C 0.690 176.628 175.800 0.231 0.000 1.124 46 F CA -0.780 57.350 58.000 0.217 0.000 1.008 46 F CB 1.578 40.692 39.000 0.190 0.000 1.139 46 F HN 0.378 nan 8.300 nan 0.000 0.452 47 S N 4.288 120.224 115.700 0.393 0.000 2.474 47 S HA 0.400 4.875 4.470 0.009 0.000 0.321 47 S C -1.047 173.585 174.600 0.052 0.000 1.080 47 S CA -0.482 57.851 58.200 0.222 0.000 1.106 47 S CB 0.541 63.852 63.200 0.185 0.000 0.984 47 S HN 0.455 nan 8.310 nan 0.000 0.464 48 F N 4.558 124.465 119.950 -0.071 0.000 2.385 48 F HA 0.590 5.122 4.527 0.009 0.000 0.360 48 F C -1.276 174.489 175.800 -0.058 0.000 1.122 48 F CA -1.073 56.970 58.000 0.071 0.000 1.090 48 F CB 0.201 39.380 39.000 0.298 0.000 1.150 48 F HN 0.425 nan 8.300 nan 0.000 0.472 49 F N 5.786 125.680 119.950 -0.093 0.000 2.427 49 F HA 0.624 5.156 4.527 0.009 0.000 0.346 49 F C 0.191 176.068 175.800 0.130 0.000 1.120 49 F CA -0.637 57.457 58.000 0.157 0.000 1.033 49 F CB 1.291 40.482 39.000 0.319 0.000 1.126 49 F HN 0.542 nan 8.300 nan 0.000 0.462 50 C N 1.072 120.603 119.300 0.384 0.000 3.284 50 C HA 0.610 5.075 4.460 0.009 0.000 0.348 50 C C -0.329 174.753 174.990 0.153 0.000 1.448 50 C CA -0.530 58.661 59.018 0.287 0.000 1.223 50 C CB 1.448 29.382 27.740 0.324 0.000 1.588 50 C HN 1.000 nan 8.230 nan 0.000 0.451 51 T N 0.354 114.900 114.554 -0.014 0.000 2.900 51 T HA 0.252 4.608 4.350 0.009 0.000 0.307 51 T C 1.064 175.759 174.700 -0.008 0.000 1.065 51 T CA 0.683 62.740 62.100 -0.071 0.000 1.105 51 T CB 0.784 69.506 68.868 -0.243 0.000 0.979 51 T HN 0.769 nan 8.240 nan 0.000 0.544 52 T N 2.071 116.619 114.554 -0.010 0.000 2.665 52 T HA -0.158 4.197 4.350 0.009 0.000 0.268 52 T C 2.168 176.855 174.700 -0.021 0.000 1.035 52 T CA 2.118 64.223 62.100 0.008 0.000 1.151 52 T CB -0.927 67.939 68.868 -0.004 0.000 0.862 52 T HN 0.824 nan 8.240 nan 0.000 0.438 53 T N 1.692 116.215 114.554 -0.052 0.000 2.788 53 T HA -0.101 4.254 4.350 0.009 0.000 0.268 53 T C 2.285 176.947 174.700 -0.063 0.000 1.044 53 T CA 1.604 63.669 62.100 -0.059 0.000 1.139 53 T CB -0.617 68.211 68.868 -0.067 0.000 0.867 53 T HN 0.419 nan 8.240 nan 0.000 0.454 54 T N 2.306 116.816 114.554 -0.073 0.000 2.812 54 T HA -0.048 4.307 4.350 0.009 0.000 0.264 54 T C 2.057 176.774 174.700 0.028 0.000 1.042 54 T CA 0.722 62.796 62.100 -0.043 0.000 1.140 54 T CB -0.286 68.544 68.868 -0.064 0.000 0.870 54 T HN 0.285 nan 8.240 nan 0.000 0.445 55 N N 1.586 120.334 118.700 0.079 0.000 2.120 55 N HA -0.101 4.644 4.740 0.009 0.000 0.188 55 N C 1.531 177.022 175.510 -0.031 0.000 1.024 55 N CA 1.064 54.187 53.050 0.121 0.000 0.852 55 N CB -0.466 38.049 38.487 0.046 0.000 1.003 55 N HN 0.342 nan 8.380 nan 0.000 0.424 56 D N 0.029 120.382 120.400 -0.078 0.000 2.133 56 D HA -0.097 4.549 4.640 0.009 0.000 0.195 56 D C 1.676 177.925 176.300 -0.084 0.000 0.997 56 D CA 1.226 55.172 54.000 -0.091 0.000 0.840 56 D CB -0.512 40.253 40.800 -0.058 0.000 0.947 56 D HN 0.260 nan 8.370 nan 0.000 0.452 57 T N 0.680 115.183 114.554 -0.086 0.000 2.857 57 T HA 0.009 4.364 4.350 0.009 0.000 0.266 57 T C 2.184 176.792 174.700 -0.154 0.000 1.048 57 T CA 0.390 62.423 62.100 -0.113 0.000 1.139 57 T CB -0.062 68.735 68.868 -0.118 0.000 0.874 57 T HN 0.116 nan 8.240 nan 0.000 0.455 58 L N -0.580 120.528 121.223 -0.191 0.000 2.072 58 L HA 0.122 4.467 4.340 0.009 0.000 0.205 58 L C 1.114 177.622 176.870 -0.603 0.000 1.079 58 L CA 1.190 55.782 54.840 -0.414 0.000 0.752 58 L CB -0.239 41.483 42.059 -0.562 0.000 0.906 58 L HN 0.244 nan 8.230 nan 0.000 0.436 59 F N -1.287 118.470 119.950 -0.321 0.000 2.819 59 F HA 0.158 4.690 4.527 0.009 0.000 0.294 59 F C 1.792 177.466 175.800 -0.211 0.000 1.166 59 F CA -0.114 57.678 58.000 -0.347 0.000 1.374 59 F CB 0.048 38.672 39.000 -0.628 0.000 0.956 59 F HN -0.133 nan 8.300 nan 0.000 0.509 60 S N -0.590 115.095 115.700 -0.025 0.000 2.501 60 S HA 0.084 4.559 4.470 0.009 0.000 0.220 60 S C 1.017 175.667 174.600 0.084 0.000 0.997 60 S CA -0.198 58.022 58.200 0.033 0.000 0.919 60 S CB -0.070 63.123 63.200 -0.013 0.000 0.778 60 S HN 0.285 nan 8.310 nan 0.000 0.523 61 R N 2.126 122.655 120.500 0.048 0.000 2.583 61 R HA 0.138 4.483 4.340 0.009 0.000 0.274 61 R C 0.999 177.425 176.300 0.210 0.000 0.998 61 R CA -0.072 56.072 56.100 0.073 0.000 1.081 61 R CB 0.163 30.466 30.300 0.005 0.000 0.940 61 R HN 0.125 nan 8.270 nan 0.000 0.413 62 S N 1.995 117.767 115.700 0.119 0.000 2.182 62 S HA -0.177 4.298 4.470 0.009 0.000 0.193 62 S C 1.345 175.982 174.600 0.062 0.000 1.427 62 S CA 0.740 58.973 58.200 0.054 0.000 2.227 62 S CB -0.250 62.940 63.200 -0.017 0.000 0.324 62 S HN 0.782 nan 8.310 nan 0.000 0.355 63 N N 1.472 120.146 118.700 -0.043 0.000 2.659 63 N HA -0.123 4.622 4.740 0.009 0.000 0.194 63 N C 0.970 176.562 175.510 0.136 0.000 1.140 63 N CA 0.342 53.374 53.050 -0.031 0.000 0.936 63 N CB -0.205 38.255 38.487 -0.044 0.000 0.970 63 N HN 0.328 nan 8.380 nan 0.000 0.449 64 E N -0.662 119.662 120.200 0.206 0.000 2.533 64 E HA -0.066 4.290 4.350 0.009 0.000 0.203 64 E C -0.516 176.235 176.600 0.252 0.000 1.101 64 E CA 0.126 56.623 56.400 0.161 0.000 0.894 64 E CB -0.602 29.147 29.700 0.082 0.000 0.843 64 E HN 0.258 nan 8.360 nan 0.000 0.552 65 F N 1.212 121.180 119.950 0.030 0.000 2.670 65 F HA 0.081 4.613 4.527 0.009 0.000 0.345 65 F C 0.358 176.183 175.800 0.043 0.000 1.303 65 F CA -0.174 57.861 58.000 0.059 0.000 1.172 65 F CB -0.615 38.415 39.000 0.050 0.000 1.602 65 F HN -0.056 nan 8.300 nan 0.000 0.679 66 L N 5.720 127.031 121.223 0.147 0.000 2.534 66 L HA 0.011 4.357 4.340 0.009 0.000 0.271 66 L C -0.663 176.272 176.870 0.109 0.000 1.178 66 L CA -1.187 53.709 54.840 0.093 0.000 0.907 66 L CB 0.612 42.688 42.059 0.028 0.000 1.164 66 L HN 0.233 nan 8.230 nan 0.000 0.482 67 P HA -0.198 nan 4.420 nan 0.000 0.217 67 P C 0.552 177.908 177.300 0.094 0.000 1.148 67 P CA 1.389 64.552 63.100 0.105 0.000 0.828 67 P CB -0.044 31.709 31.700 0.089 0.000 0.783 68 N N -0.098 118.674 118.700 0.120 0.000 2.362 68 N HA 0.060 4.805 4.740 0.009 0.000 0.204 68 N C 0.156 175.813 175.510 0.246 0.000 1.166 68 N CA -0.123 53.033 53.050 0.178 0.000 0.831 68 N CB -0.607 38.029 38.487 0.248 0.000 1.008 68 N HN 0.259 nan 8.380 nan 0.000 0.472 69 I N 0.109 120.775 120.570 0.160 0.000 2.436 69 I HA 0.288 4.463 4.170 0.009 0.000 0.289 69 I C -0.377 175.776 176.117 0.060 0.000 1.010 69 I CA -0.759 60.651 61.300 0.184 0.000 1.098 69 I CB 1.933 40.027 38.000 0.157 0.000 1.266 69 I HN -0.072 nan 8.210 nan 0.000 0.434 70 K N 6.678 127.098 120.400 0.034 0.000 2.378 70 K HA 0.480 4.805 4.320 0.009 0.000 0.252 70 K C -1.450 174.978 176.600 -0.288 0.000 0.931 70 K CA -0.641 55.506 56.287 -0.234 0.000 0.794 70 K CB 1.959 34.300 32.500 -0.265 0.000 1.181 70 K HN 0.496 nan 8.250 nan 0.000 0.425 71 Y N 0.788 120.703 120.300 -0.643 0.000 2.376 71 Y HA 0.560 5.115 4.550 0.009 0.000 0.325 71 Y C -1.435 174.128 175.900 -0.562 0.000 1.199 71 Y CA -0.870 56.888 58.100 -0.569 0.000 1.206 71 Y CB 0.768 38.529 38.460 -1.166 0.000 1.229 71 Y HN 0.395 nan 8.280 nan 0.000 0.480 72 Y N 1.124 121.345 120.300 -0.132 0.000 2.421 72 Y HA 0.334 4.890 4.550 0.009 0.000 0.339 72 Y C -0.654 175.352 175.900 0.176 0.000 0.996 72 Y CA -1.327 56.739 58.100 -0.056 0.000 1.046 72 Y CB 1.753 40.148 38.460 -0.107 0.000 1.226 72 Y HN 0.650 nan 8.280 nan 0.000 0.445 73 N N 1.778 120.662 118.700 0.306 0.000 2.514 73 N HA 0.325 5.071 4.740 0.009 0.000 0.277 73 N C -1.080 174.563 175.510 0.221 0.000 1.126 73 N CA -0.242 52.950 53.050 0.238 0.000 0.978 73 N CB 2.245 40.825 38.487 0.156 0.000 1.106 73 N HN 0.417 nan 8.380 nan 0.000 0.461 74 V N 2.097 122.094 119.914 0.138 0.000 2.628 74 V HA 0.196 4.321 4.120 0.009 0.000 0.306 74 V C -0.246 175.851 176.094 0.004 0.000 1.045 74 V CA -0.795 61.523 62.300 0.029 0.000 0.905 74 V CB 1.250 32.940 31.823 -0.223 0.000 0.997 74 V HN 0.808 nan 8.190 nan 0.000 0.436 75 H N 3.918 122.946 119.070 -0.070 0.000 3.064 75 H HA 0.072 4.633 4.556 0.009 0.000 0.329 75 H C 0.821 176.153 175.328 0.005 0.000 1.020 75 H CA 1.048 57.066 56.048 -0.051 0.000 1.402 75 H CB 0.893 30.596 29.762 -0.099 0.000 1.379 75 H HN 0.887 nan 8.280 nan 0.000 0.594 76 D N 2.650 122.944 120.400 -0.177 0.000 2.336 76 D HA 0.063 4.708 4.640 0.009 0.000 0.229 76 D C 1.624 178.076 176.300 0.253 0.000 1.061 76 D CA 0.564 54.627 54.000 0.105 0.000 0.875 76 D CB -0.200 40.567 40.800 -0.054 0.000 0.904 76 D HN 0.838 nan 8.370 nan 0.000 0.525 77 G N 0.042 109.067 108.800 0.376 0.000 2.212 77 G HA2 -0.303 3.662 3.960 0.009 0.000 0.266 77 G HA3 -0.303 3.662 3.960 0.009 0.000 0.266 77 G C 0.149 175.139 174.900 0.151 0.000 0.978 77 G CA 0.367 45.620 45.100 0.254 0.000 0.632 77 G HN 0.438 nan 8.290 nan 0.000 0.537 78 L N 3.058 124.326 121.223 0.076 0.000 2.360 78 L HA 0.353 4.698 4.340 0.009 0.000 0.276 78 L C -0.758 176.169 176.870 0.095 0.000 1.121 78 L CA -1.772 53.021 54.840 -0.079 0.000 0.845 78 L CB 0.498 42.395 42.059 -0.270 0.000 1.143 78 L HN 0.073 nan 8.230 nan 0.000 0.452 79 P HA 0.001 nan 4.420 nan 0.000 0.271 79 P C -0.768 176.630 177.300 0.162 0.000 1.244 79 P CA -0.565 62.616 63.100 0.136 0.000 0.793 79 P CB 0.737 32.519 31.700 0.137 0.000 0.984 80 K N 0.070 120.544 120.400 0.124 0.000 2.448 80 K HA 0.196 4.522 4.320 0.009 0.000 0.278 80 K C 1.216 177.884 176.600 0.113 0.000 1.009 80 K CA 0.885 57.237 56.287 0.108 0.000 0.995 80 K CB -0.650 31.894 32.500 0.073 0.000 0.917 80 K HN 0.784 nan 8.250 nan 0.000 0.481 81 G N 3.114 111.979 108.800 0.108 0.000 2.245 81 G HA2 -0.362 3.603 3.960 0.009 0.000 0.264 81 G HA3 -0.362 3.603 3.960 0.009 0.000 0.264 81 G C 0.019 174.986 174.900 0.110 0.000 0.985 81 G CA 0.555 45.708 45.100 0.088 0.000 0.625 81 G HN 0.819 nan 8.290 nan 0.000 0.536 82 Y N 1.106 121.428 120.300 0.036 0.000 3.073 82 Y HA 0.253 4.809 4.550 0.008 0.000 0.343 82 Y C 0.340 176.258 175.900 0.031 0.000 1.274 82 Y CA 0.987 59.110 58.100 0.038 0.000 1.554 82 Y CB 0.484 38.975 38.460 0.051 0.000 1.250 82 Y HN 0.423 nan 8.280 nan 0.000 0.622 83 V N 6.914 126.357 119.914 -0.786 0.000 2.686 83 V HA 0.164 4.289 4.120 0.009 0.000 0.306 83 V C 0.729 176.377 176.094 -0.743 0.000 1.065 83 V CA -0.250 61.745 62.300 -0.509 0.000 0.894 83 V CB 1.132 32.813 31.823 -0.236 0.000 1.004 83 V HN 1.063 nan 8.190 nan 0.000 0.424 84 S N 3.857 119.388 115.700 -0.282 0.000 2.557 84 S HA -0.332 4.144 4.470 0.009 0.000 0.344 84 S C 1.134 175.656 174.600 -0.130 0.000 1.291 84 S CA 2.672 60.824 58.200 -0.080 0.000 1.306 84 S CB -0.385 62.804 63.200 -0.018 0.000 1.335 84 S HN 1.777 nan 8.310 nan 0.000 0.466 85 S N -1.380 114.225 115.700 -0.159 0.000 3.630 85 S HA -0.068 4.407 4.470 0.009 0.000 0.634 85 S C 0.711 175.295 174.600 -0.026 0.000 2.333 85 S CA 0.521 58.662 58.200 -0.098 0.000 2.607 85 S CB -1.706 61.435 63.200 -0.099 0.000 0.329 85 S HN 1.354 nan 8.310 nan 0.000 1.712 86 G N 2.367 111.165 108.800 -0.003 0.000 3.107 86 G HA2 0.304 4.269 3.960 0.009 0.000 0.155 86 G HA3 0.304 4.269 3.960 0.009 0.000 0.155 86 G C 0.167 175.071 174.900 0.008 0.000 1.875 86 G CA 0.435 45.538 45.100 0.006 0.000 1.004 86 G HN 1.324 nan 8.290 nan 0.000 0.480 87 N N 1.945 120.646 118.700 0.002 0.000 1.990 87 N HA -0.087 4.658 4.740 0.009 0.000 0.291 87 N C -1.709 173.772 175.510 -0.049 0.000 1.249 87 N CA 0.270 53.303 53.050 -0.028 0.000 0.808 87 N CB 0.615 39.082 38.487 -0.034 0.000 1.040 87 N HN 0.203 nan 8.380 nan 0.000 0.484 88 P HA 0.004 nan 4.420 nan 0.000 0.245 88 P C 0.789 177.950 177.300 -0.230 0.000 1.212 88 P CA 0.463 63.490 63.100 -0.121 0.000 0.774 88 P CB 0.355 31.979 31.700 -0.127 0.000 0.999 89 R N 0.462 120.792 120.500 -0.283 0.000 2.193 89 R HA -0.015 4.330 4.340 0.009 0.000 0.213 89 R C 2.117 178.157 176.300 -0.434 0.000 1.055 89 R CA 0.554 56.354 56.100 -0.501 0.000 0.995 89 R CB -0.616 29.301 30.300 -0.639 0.000 0.893 89 R HN 0.387 nan 8.270 nan 0.000 0.459 90 E N 1.188 121.293 120.200 -0.158 0.000 2.070 90 E HA -0.148 4.207 4.350 0.009 0.000 0.197 90 E C -0.811 175.799 176.600 0.016 0.000 1.004 90 E CA 1.368 57.785 56.400 0.029 0.000 0.805 90 E CB -0.392 29.403 29.700 0.159 0.000 0.744 90 E HN 0.173 nan 8.360 nan 0.000 0.451 91 P HA -0.098 nan 4.420 nan 0.000 0.222 91 P C 1.439 178.724 177.300 -0.025 0.000 1.153 91 P CA 1.054 64.113 63.100 -0.068 0.000 0.798 91 P CB -0.073 31.601 31.700 -0.044 0.000 0.796 92 I N -1.430 118.939 120.570 -0.335 0.000 2.286 92 I HA -0.179 3.996 4.170 0.009 0.000 0.245 92 I C 2.584 178.862 176.117 0.268 0.000 1.104 92 I CA 1.422 62.489 61.300 -0.388 0.000 1.397 92 I CB -0.736 36.878 38.000 -0.644 0.000 1.072 92 I HN -0.160 nan 8.210 nan 0.000 0.417 93 F N 0.850 120.863 119.950 0.105 0.000 2.186 93 F HA -0.181 4.350 4.527 0.007 0.000 0.299 93 F C 2.421 178.308 175.800 0.145 0.000 1.090 93 F CA 0.622 58.713 58.000 0.152 0.000 1.307 93 F CB -0.054 39.008 39.000 0.104 0.000 1.019 93 F HN 0.022 nan 8.300 nan 0.000 0.489 94 L N -1.152 120.256 121.223 0.308 0.000 2.093 94 L HA -0.224 4.121 4.340 0.009 0.000 0.208 94 L C 2.307 179.305 176.870 0.213 0.000 1.085 94 L CA 0.955 55.909 54.840 0.189 0.000 0.755 94 L CB -0.653 41.451 42.059 0.074 0.000 0.904 94 L HN 0.105 nan 8.230 nan 0.000 0.435 95 F N 1.022 121.089 119.950 0.195 0.000 2.075 95 F HA -0.239 4.293 4.527 0.008 0.000 0.297 95 F C 2.306 178.254 175.800 0.246 0.000 1.113 95 F CA 1.552 59.683 58.000 0.219 0.000 1.218 95 F CB -0.253 38.967 39.000 0.365 0.000 0.984 95 F HN -0.129 nan 8.300 nan 0.000 0.472 96 I N 0.436 121.212 120.570 0.343 0.000 2.194 96 I HA -0.364 3.811 4.170 0.009 0.000 0.246 96 I C 2.285 178.457 176.117 0.091 0.000 1.093 96 I CA 1.692 63.159 61.300 0.277 0.000 1.355 96 I CB -0.518 37.750 38.000 0.447 0.000 1.046 96 I HN 0.162 nan 8.210 nan 0.000 0.413 97 K N 0.440 120.889 120.400 0.081 0.000 2.209 97 K HA -0.074 4.252 4.320 0.009 0.000 0.204 97 K C 1.543 178.101 176.600 -0.070 0.000 1.048 97 K CA 1.396 57.694 56.287 0.018 0.000 0.940 97 K CB -0.070 32.448 32.500 0.029 0.000 0.729 97 K HN 0.352 nan 8.250 nan 0.000 0.451 98 A N 0.586 123.316 122.820 -0.150 0.000 2.545 98 A HA 0.129 4.454 4.320 0.009 0.000 0.263 98 A C 1.680 179.043 177.584 -0.368 0.000 1.202 98 A CA -0.374 51.531 52.037 -0.219 0.000 0.959 98 A CB -0.245 18.651 19.000 -0.174 0.000 1.124 98 A HN 0.275 nan 8.150 nan 0.000 0.543 99 M N -1.262 118.035 119.600 -0.505 0.000 2.149 99 M HA -0.195 4.290 4.480 0.009 0.000 0.261 99 M C 1.938 177.914 176.300 -0.540 0.000 1.064 99 M CA 2.384 57.273 55.300 -0.683 0.000 1.102 99 M CB -0.704 31.439 32.600 -0.763 0.000 1.369 99 M HN 0.406 nan 8.290 nan 0.000 0.408 100 Q N 0.598 119.977 119.800 -0.702 0.000 2.050 100 Q HA -0.176 4.169 4.340 0.009 0.000 0.202 100 Q C 1.917 177.570 176.000 -0.578 0.000 0.980 100 Q CA 1.732 56.906 55.803 -1.048 0.000 0.840 100 Q CB 0.095 28.185 28.738 -1.080 0.000 0.898 100 Q HN 0.537 nan 8.270 nan 0.000 0.424 101 E N 0.281 120.243 120.200 -0.397 0.000 2.152 101 E HA -0.086 4.270 4.350 0.009 0.000 0.192 101 E C 1.647 178.116 176.600 -0.218 0.000 0.983 101 E CA 0.563 56.803 56.400 -0.266 0.000 0.818 101 E CB -0.151 29.424 29.700 -0.210 0.000 0.758 101 E HN 0.388 nan 8.360 nan 0.000 0.467 102 N N 0.125 118.658 118.700 -0.277 0.000 2.216 102 N HA -0.084 4.661 4.740 0.009 0.000 0.183 102 N C 1.638 177.008 175.510 -0.233 0.000 1.017 102 N CA 0.586 53.488 53.050 -0.248 0.000 0.861 102 N CB -0.391 37.925 38.487 -0.284 0.000 0.986 102 N HN 0.110 nan 8.380 nan 0.000 0.428 103 F N 1.554 121.334 119.950 -0.282 0.000 2.113 103 F HA -0.088 4.444 4.527 0.008 0.000 0.297 103 F C 2.309 177.895 175.800 -0.357 0.000 1.103 103 F CA 1.045 58.856 58.000 -0.315 0.000 1.248 103 F CB -0.375 38.399 39.000 -0.376 0.000 0.999 103 F HN -0.077 nan 8.300 nan 0.000 0.475 104 K N -0.331 119.988 120.400 -0.136 0.000 2.063 104 K HA -0.229 4.096 4.320 0.009 0.000 0.208 104 K C 2.269 178.787 176.600 -0.137 0.000 1.048 104 K CA 1.672 57.851 56.287 -0.181 0.000 0.928 104 K CB -0.936 31.449 32.500 -0.192 0.000 0.713 104 K HN 0.320 nan 8.250 nan 0.000 0.442 105 H N -0.391 118.580 119.070 -0.165 0.000 2.319 105 H HA -0.113 4.448 4.556 0.009 0.000 0.299 105 H C 1.909 177.181 175.328 -0.093 0.000 1.092 105 H CA 1.989 57.966 56.048 -0.118 0.000 1.302 105 H CB -0.104 29.598 29.762 -0.101 0.000 1.373 105 H HN 0.138 nan 8.280 nan 0.000 0.497 106 V N 0.753 120.683 119.914 0.027 0.000 2.591 106 V HA -0.132 3.993 4.120 0.009 0.000 0.249 106 V C 2.509 178.539 176.094 -0.107 0.000 1.053 106 V CA 1.196 63.528 62.300 0.053 0.000 1.068 106 V CB -0.462 31.487 31.823 0.210 0.000 0.689 106 V HN 0.325 nan 8.190 nan 0.000 0.462 107 I N 0.391 120.710 120.570 -0.419 0.000 2.208 107 I HA -0.221 3.954 4.170 0.009 0.000 0.245 107 I C 2.257 178.230 176.117 -0.240 0.000 1.097 107 I CA 2.001 62.969 61.300 -0.553 0.000 1.363 107 I CB -0.458 37.194 38.000 -0.579 0.000 1.051 107 I HN 0.330 nan 8.210 nan 0.000 0.413 108 D N 0.695 120.968 120.400 -0.210 0.000 2.123 108 D HA -0.186 4.459 4.640 0.009 0.000 0.196 108 D C 2.129 178.359 176.300 -0.116 0.000 0.992 108 D CA 1.203 55.103 54.000 -0.166 0.000 0.833 108 D CB -0.172 40.499 40.800 -0.215 0.000 0.954 108 D HN 0.411 nan 8.370 nan 0.000 0.455 109 E N 0.306 120.444 120.200 -0.103 0.000 2.077 109 E HA -0.106 4.249 4.350 0.009 0.000 0.193 109 E C 2.075 178.688 176.600 0.022 0.000 0.989 109 E CA 0.951 57.338 56.400 -0.022 0.000 0.800 109 E CB -0.049 29.681 29.700 0.050 0.000 0.746 109 E HN 0.203 nan 8.360 nan 0.000 0.452 110 A N 0.891 123.684 122.820 -0.044 0.000 1.969 110 A HA -0.116 4.209 4.320 0.009 0.000 0.218 110 A C 2.447 180.115 177.584 0.140 0.000 1.169 110 A CA 0.949 52.954 52.037 -0.053 0.000 0.635 110 A CB -0.420 18.391 19.000 -0.316 0.000 0.810 110 A HN 0.103 nan 8.150 nan 0.000 0.445 111 V N -0.348 119.619 119.914 0.089 0.000 2.379 111 V HA -0.184 3.941 4.120 0.009 0.000 0.245 111 V C 3.029 179.163 176.094 0.065 0.000 1.044 111 V CA 1.782 64.146 62.300 0.107 0.000 1.036 111 V CB -1.057 30.774 31.823 0.012 0.000 0.664 111 V HN 0.594 nan 8.190 nan 0.000 0.453 112 A N -0.284 122.552 122.820 0.027 0.000 1.930 112 A HA -0.218 4.108 4.320 0.009 0.000 0.217 112 A C 2.154 179.757 177.584 0.031 0.000 1.175 112 A CA 1.775 53.822 52.037 0.017 0.000 0.627 112 A CB -0.401 18.597 19.000 -0.003 0.000 0.815 112 A HN 0.631 nan 8.150 nan 0.000 0.443 113 E N -0.596 119.636 120.200 0.053 0.000 2.072 113 E HA -0.132 4.223 4.350 0.009 0.000 0.191 113 E C 2.192 178.814 176.600 0.037 0.000 0.985 113 E CA 1.646 58.081 56.400 0.058 0.000 0.801 113 E CB -0.300 29.465 29.700 0.107 0.000 0.750 113 E HN 0.839 nan 8.360 nan 0.000 0.452 114 T N -2.874 111.700 114.554 0.033 0.000 3.014 114 T HA 0.139 4.494 4.350 0.009 0.000 0.263 114 T C 1.695 176.388 174.700 -0.012 0.000 1.078 114 T CA 0.626 62.709 62.100 -0.029 0.000 1.135 114 T CB 0.249 69.019 68.868 -0.163 0.000 0.895 114 T HN 0.303 nan 8.240 nan 0.000 0.480 115 G N 1.368 110.180 108.800 0.020 0.000 2.143 115 G HA2 -0.232 3.733 3.960 0.009 0.000 0.249 115 G HA3 -0.232 3.733 3.960 0.009 0.000 0.249 115 G C -0.137 174.781 174.900 0.030 0.000 0.981 115 G CA 0.195 45.306 45.100 0.019 0.000 0.665 115 G HN 0.684 nan 8.290 nan 0.000 0.528 116 K N 0.838 121.277 120.400 0.065 0.000 2.413 116 K HA 0.357 4.683 4.320 0.009 0.000 0.257 116 K C -0.173 176.544 176.600 0.194 0.000 0.946 116 K CA -0.964 55.387 56.287 0.105 0.000 0.823 116 K CB 1.013 33.556 32.500 0.073 0.000 1.109 116 K HN 0.111 nan 8.250 nan 0.000 0.427 117 N N 2.299 121.054 118.700 0.093 0.000 2.453 117 N HA 0.078 4.823 4.740 0.009 0.000 0.253 117 N C 0.119 175.639 175.510 0.017 0.000 1.252 117 N CA -0.013 53.063 53.050 0.043 0.000 0.917 117 N CB 0.577 39.073 38.487 0.015 0.000 1.117 117 N HN 0.382 nan 8.380 nan 0.000 0.442 118 I N 1.624 122.137 120.570 -0.095 0.000 2.598 118 I HA -0.062 4.114 4.170 0.009 0.000 0.284 118 I C 1.888 177.969 176.117 -0.061 0.000 1.140 118 I CA 0.515 61.707 61.300 -0.181 0.000 1.420 118 I CB -0.072 37.789 38.000 -0.232 0.000 1.387 118 I HN 0.610 nan 8.210 nan 0.000 0.553 119 T N 1.401 115.934 114.554 -0.034 0.000 3.015 119 T HA 0.105 4.461 4.350 0.009 0.000 0.250 119 T C 0.561 175.265 174.700 0.007 0.000 1.057 119 T CA -0.139 61.962 62.100 0.002 0.000 1.066 119 T CB 0.131 69.007 68.868 0.013 0.000 0.959 119 T HN 0.580 nan 8.240 nan 0.000 0.488 120 C N 1.099 120.396 119.300 -0.005 0.000 2.811 120 C HA 0.743 5.208 4.460 0.009 0.000 0.352 120 C C -1.598 173.417 174.990 0.042 0.000 1.098 120 C CA -1.265 57.772 59.018 0.032 0.000 1.295 120 C CB 0.762 28.528 27.740 0.043 0.000 1.758 120 C HN 0.596 nan 8.230 nan 0.000 0.488 121 L N 6.937 128.212 121.223 0.087 0.000 2.277 121 L HA 0.670 5.015 4.340 0.009 0.000 0.284 121 L C -0.493 176.506 176.870 0.215 0.000 1.028 121 L CA 0.076 54.981 54.840 0.109 0.000 0.835 121 L CB 1.240 43.328 42.059 0.048 0.000 1.215 121 L HN 0.570 nan 8.230 nan 0.000 0.425 122 V N 4.049 124.067 119.914 0.173 0.000 2.407 122 V HA 0.678 4.803 4.120 0.009 0.000 0.278 122 V C 0.427 176.627 176.094 0.176 0.000 1.037 122 V CA -0.099 62.298 62.300 0.162 0.000 0.900 122 V CB 1.320 33.248 31.823 0.174 0.000 0.983 122 V HN 0.879 nan 8.190 nan 0.000 0.459 123 T N 0.190 114.853 114.554 0.183 0.000 2.883 123 T HA 0.405 4.760 4.350 0.009 0.000 0.296 123 T C -0.727 174.037 174.700 0.107 0.000 1.117 123 T CA -0.813 61.411 62.100 0.207 0.000 1.006 123 T CB 1.985 71.045 68.868 0.321 0.000 1.191 123 T HN 0.575 nan 8.240 nan 0.000 0.508 124 D N 0.150 120.567 120.400 0.029 0.000 2.414 124 D HA 0.234 4.879 4.640 0.009 0.000 0.242 124 D C 1.527 177.733 176.300 -0.157 0.000 1.129 124 D CA 0.265 54.157 54.000 -0.179 0.000 0.885 124 D CB 1.575 42.105 40.800 -0.449 0.000 1.198 124 D HN 0.749 nan 8.370 nan 0.000 0.437 125 A N 4.303 127.075 122.820 -0.080 0.000 2.024 125 A HA -0.213 4.113 4.320 0.009 0.000 0.220 125 A C 1.875 179.591 177.584 0.221 0.000 1.164 125 A CA 0.922 53.022 52.037 0.104 0.000 0.643 125 A CB -0.585 18.601 19.000 0.310 0.000 0.806 125 A HN 0.636 nan 8.150 nan 0.000 0.451 126 F N -0.457 119.397 119.950 -0.160 0.000 2.192 126 F HA -0.102 4.431 4.527 0.009 0.000 0.301 126 F C 0.860 176.608 175.800 -0.087 0.000 1.079 126 F CA -0.069 57.776 58.000 -0.258 0.000 1.303 126 F CB -1.227 37.325 39.000 -0.747 0.000 1.024 126 F HN 0.236 nan 8.300 nan 0.000 0.494 127 F N 1.589 121.575 119.950 0.061 0.000 2.619 127 F HA -0.012 4.521 4.527 0.010 0.000 0.350 127 F C 1.464 176.912 175.800 -0.587 0.000 1.259 127 F CA -0.916 56.780 58.000 -0.507 0.000 1.204 127 F CB -0.452 38.038 39.000 -0.850 0.000 1.556 127 F HN 0.134 nan 8.300 nan 0.000 0.650 128 W N 1.973 123.271 121.300 -0.004 0.000 2.350 128 W HA -0.255 4.410 4.660 0.009 0.000 0.289 128 W C 1.337 177.709 176.519 -0.245 0.000 1.215 128 W CA 0.799 58.157 57.345 0.022 0.000 1.236 128 W CB -1.540 27.966 29.460 0.077 0.000 1.130 128 W HN 0.518 nan 8.180 nan 0.000 0.541 129 F N 1.406 120.598 119.950 -1.265 0.000 2.722 129 F HA 0.428 4.960 4.527 0.009 0.000 0.298 129 F C 2.047 177.280 175.800 -0.945 0.000 1.175 129 F CA 0.458 57.704 58.000 -1.257 0.000 1.462 129 F CB -1.387 36.669 39.000 -1.574 0.000 1.111 129 F HN -0.146 nan 8.300 nan 0.000 0.592 130 G N 0.897 108.816 108.800 -1.469 0.000 2.442 130 G HA2 -0.211 3.754 3.960 0.009 0.000 0.219 130 G HA3 -0.211 3.754 3.960 0.009 0.000 0.219 130 G C 1.821 175.640 174.900 -1.801 0.000 1.141 130 G CA 0.873 44.920 45.100 -1.755 0.000 0.763 130 G HN 0.584 nan 8.290 nan 0.000 0.554 131 A N 1.170 122.868 122.820 -1.870 0.000 1.877 131 A HA -0.065 4.260 4.320 0.009 0.000 0.216 131 A C 2.111 179.458 177.584 -0.394 0.000 1.186 131 A CA 2.062 53.649 52.037 -0.749 0.000 0.620 131 A CB -0.406 18.438 19.000 -0.260 0.000 0.822 131 A HN 0.295 nan 8.150 nan 0.000 0.443 132 D N -0.375 119.816 120.400 -0.348 0.000 2.117 132 D HA -0.121 4.524 4.640 0.009 0.000 0.197 132 D C 1.844 178.010 176.300 -0.224 0.000 0.987 132 D CA 1.068 54.947 54.000 -0.202 0.000 0.829 132 D CB -0.406 40.317 40.800 -0.128 0.000 0.961 132 D HN 0.287 nan 8.370 nan 0.000 0.460 133 L N 1.180 122.234 121.223 -0.282 0.000 2.017 133 L HA -0.093 4.252 4.340 0.009 0.000 0.208 133 L C 2.346 179.081 176.870 -0.226 0.000 1.073 133 L CA 1.561 56.256 54.840 -0.241 0.000 0.745 133 L CB -0.938 40.979 42.059 -0.237 0.000 0.894 133 L HN -0.042 nan 8.230 nan 0.000 0.432 134 A N -1.105 121.559 122.820 -0.259 0.000 1.940 134 A HA -0.289 4.037 4.320 0.009 0.000 0.219 134 A C 2.301 179.802 177.584 -0.138 0.000 1.176 134 A CA 1.883 53.830 52.037 -0.150 0.000 0.631 134 A CB -0.689 18.269 19.000 -0.070 0.000 0.814 134 A HN 0.581 nan 8.150 nan 0.000 0.446 135 E N -0.129 119.973 120.200 -0.163 0.000 2.038 135 E HA -0.266 4.089 4.350 0.009 0.000 0.195 135 E C 1.908 178.343 176.600 -0.275 0.000 1.000 135 E CA 1.604 57.896 56.400 -0.181 0.000 0.803 135 E CB -0.202 29.411 29.700 -0.146 0.000 0.750 135 E HN 0.733 nan 8.360 nan 0.000 0.448 136 E N -0.261 119.806 120.200 -0.221 0.000 2.085 136 E HA -0.182 4.174 4.350 0.009 0.000 0.194 136 E C 1.869 178.353 176.600 -0.194 0.000 0.994 136 E CA 1.615 57.889 56.400 -0.210 0.000 0.801 136 E CB -0.042 29.571 29.700 -0.146 0.000 0.743 136 E HN 0.409 nan 8.360 nan 0.000 0.453 137 M N -0.265 119.255 119.600 -0.132 0.000 2.494 137 M HA 0.083 4.568 4.480 0.009 0.000 0.232 137 M C -0.475 175.896 176.300 0.118 0.000 1.137 137 M CA 0.248 55.549 55.300 0.002 0.000 1.012 137 M CB 0.183 32.754 32.600 -0.048 0.000 1.567 137 M HN 0.096 nan 8.290 nan 0.000 0.486 138 H N -0.672 118.375 119.070 -0.039 0.000 2.770 138 H HA -0.120 4.441 4.556 0.009 0.000 0.309 138 H C -0.054 175.265 175.328 -0.015 0.000 1.206 138 H CA 0.470 56.506 56.048 -0.021 0.000 1.147 138 H CB -1.516 28.236 29.762 -0.017 0.000 1.422 138 H HN 0.599 nan 8.280 nan 0.000 0.420 139 A N 0.641 123.485 122.820 0.039 0.000 2.344 139 A HA 0.663 4.988 4.320 0.009 0.000 0.307 139 A C 0.194 177.807 177.584 0.047 0.000 1.151 139 A CA -0.912 51.146 52.037 0.035 0.000 0.842 139 A CB 1.619 20.620 19.000 0.001 0.000 1.350 139 A HN 0.206 nan 8.150 nan 0.000 0.459 140 K N -0.600 119.839 120.400 0.065 0.000 2.098 140 K HA 0.353 4.678 4.320 0.009 0.000 0.257 140 K C -1.324 175.381 176.600 0.175 0.000 0.999 140 K CA -0.075 56.271 56.287 0.098 0.000 0.924 140 K CB 1.124 33.668 32.500 0.073 0.000 1.028 140 K HN 0.611 nan 8.250 nan 0.000 0.466 141 W N 2.089 123.364 121.300 -0.042 0.000 2.600 141 W HA 0.406 5.071 4.660 0.008 0.000 0.325 141 W C -1.757 174.729 176.519 -0.055 0.000 1.034 141 W CA -0.846 56.464 57.345 -0.060 0.000 1.226 141 W CB 1.084 30.498 29.460 -0.077 0.000 1.379 141 W HN 0.149 nan 8.180 nan 0.000 0.466 142 V N 9.457 129.255 119.914 -0.194 0.000 2.380 142 V HA 0.312 4.438 4.120 0.009 0.000 0.272 142 V C -1.974 173.856 176.094 -0.439 0.000 1.011 142 V CA -1.559 60.529 62.300 -0.353 0.000 0.826 142 V CB 1.125 32.878 31.823 -0.118 0.000 1.040 142 V HN 0.382 nan 8.190 nan 0.000 0.441 143 P HA 0.315 nan 4.420 nan 0.000 0.281 143 P C -1.124 176.016 177.300 -0.267 0.000 1.249 143 P CA -0.455 62.359 63.100 -0.477 0.000 0.810 143 P CB 2.343 33.619 31.700 -0.707 0.000 1.008 144 L N 4.164 125.322 121.223 -0.110 0.000 2.319 144 L HA 0.359 4.704 4.340 0.009 0.000 0.281 144 L C -0.815 176.050 176.870 -0.009 0.000 1.005 144 L CA -0.792 54.023 54.840 -0.042 0.000 0.828 144 L CB 0.655 42.733 42.059 0.031 0.000 1.227 144 L HN 0.617 nan 8.230 nan 0.000 0.415 145 W N 6.477 127.665 121.300 -0.186 0.000 2.335 145 W HA 0.154 4.818 4.660 0.007 0.000 0.306 145 W C 0.449 176.844 176.519 -0.207 0.000 1.216 145 W CA -0.093 57.136 57.345 -0.192 0.000 1.237 145 W CB 1.433 30.792 29.460 -0.169 0.000 1.243 145 W HN 0.796 nan 8.180 nan 0.000 0.493 146 T N 2.182 116.316 114.554 -0.700 0.000 3.129 146 T HA 0.283 4.638 4.350 0.009 0.000 0.251 146 T C 0.680 174.987 174.700 -0.654 0.000 1.117 146 T CA 0.541 62.278 62.100 -0.605 0.000 1.034 146 T CB 0.275 68.757 68.868 -0.643 0.000 0.968 146 T HN 0.349 nan 8.240 nan 0.000 0.526 147 A N 0.907 122.997 122.820 -1.216 0.000 3.200 147 A HA 0.888 5.214 4.320 0.009 0.000 0.208 147 A C 0.796 177.636 177.584 -1.239 0.000 1.360 147 A CA -0.444 50.978 52.037 -1.024 0.000 0.892 147 A CB -0.061 18.439 19.000 -0.833 0.000 1.600 147 A HN 0.474 nan 8.150 nan 0.000 0.501 148 G N -1.232 106.652 108.800 -1.528 0.000 2.537 148 G HA2 0.464 4.430 3.960 0.009 0.000 0.273 148 G HA3 0.464 4.430 3.960 0.009 0.000 0.273 148 G C -1.481 173.163 174.900 -0.425 0.000 1.189 148 G CA -0.672 43.527 45.100 -1.502 0.000 0.881 148 G HN 0.396 nan 8.290 nan 0.000 0.535 149 P HA -0.175 nan 4.420 nan 0.000 0.217 149 P C 1.324 178.457 177.300 -0.278 0.000 1.151 149 P CA 1.561 64.556 63.100 -0.176 0.000 0.828 149 P CB -0.073 31.587 31.700 -0.067 0.000 0.788 150 H N 0.741 119.595 119.070 -0.359 0.000 2.421 150 H HA -0.027 4.533 4.556 0.007 0.000 0.298 150 H C 1.696 176.757 175.328 -0.446 0.000 1.087 150 H CA 1.974 57.731 56.048 -0.486 0.000 1.330 150 H CB -1.435 28.019 29.762 -0.513 0.000 1.388 150 H HN 0.211 nan 8.280 nan 0.000 0.526 151 S N 1.142 116.346 115.700 -0.826 0.000 2.395 151 S HA -0.007 4.468 4.470 0.009 0.000 0.225 151 S C 2.295 176.614 174.600 -0.469 0.000 1.027 151 S CA 0.400 58.303 58.200 -0.495 0.000 0.965 151 S CB -0.767 62.327 63.200 -0.176 0.000 0.812 151 S HN 0.327 nan 8.310 nan 0.000 0.482 152 L N 0.941 121.750 121.223 -0.690 0.000 1.989 152 L HA -0.045 4.301 4.340 0.009 0.000 0.211 152 L C 2.638 179.132 176.870 -0.627 0.000 1.071 152 L CA 1.629 55.802 54.840 -1.111 0.000 0.749 152 L CB -0.423 40.942 42.059 -1.158 0.000 0.890 152 L HN 0.376 nan 8.230 nan 0.000 0.431 153 L N -0.518 120.360 121.223 -0.575 0.000 2.131 153 L HA -0.201 4.145 4.340 0.009 0.000 0.210 153 L C 2.348 178.829 176.870 -0.648 0.000 1.092 153 L CA 1.978 56.428 54.840 -0.650 0.000 0.759 153 L CB -0.955 40.679 42.059 -0.707 0.000 0.903 153 L HN 0.334 nan 8.230 nan 0.000 0.435 154 T N -0.821 113.404 114.554 -0.549 0.000 2.720 154 T HA -0.187 4.168 4.350 0.009 0.000 0.268 154 T C 1.717 176.188 174.700 -0.383 0.000 1.037 154 T CA 1.368 63.198 62.100 -0.450 0.000 1.144 154 T CB -0.272 68.290 68.868 -0.510 0.000 0.864 154 T HN 0.476 nan 8.240 nan 0.000 0.444 155 H N 0.117 119.044 119.070 -0.239 0.000 2.395 155 H HA 0.088 4.651 4.556 0.011 0.000 0.299 155 H C 2.460 177.737 175.328 -0.085 0.000 1.070 155 H CA 0.808 56.767 56.048 -0.148 0.000 1.356 155 H CB -0.558 29.091 29.762 -0.188 0.000 1.401 155 H HN 0.204 nan 8.280 nan 0.000 0.524 156 V N 0.566 120.447 119.914 -0.055 0.000 2.594 156 V HA -0.229 3.896 4.120 0.009 0.000 0.253 156 V C 1.600 177.793 176.094 0.165 0.000 1.069 156 V CA 1.371 63.682 62.300 0.018 0.000 1.082 156 V CB -0.704 31.055 31.823 -0.105 0.000 0.680 156 V HN 0.499 nan 8.190 nan 0.000 0.469 157 Y N -0.327 119.914 120.300 -0.100 0.000 2.470 157 Y HA -0.026 4.528 4.550 0.007 0.000 0.284 157 Y C 2.356 178.192 175.900 -0.106 0.000 1.188 157 Y CA -0.341 57.696 58.100 -0.105 0.000 1.269 157 Y CB -0.012 38.362 38.460 -0.143 0.000 1.094 157 Y HN 0.259 nan 8.280 nan 0.000 0.518 158 T N -0.028 114.551 114.554 0.041 0.000 2.653 158 T HA -0.231 4.125 4.350 0.009 0.000 0.268 158 T C 1.272 175.890 174.700 -0.137 0.000 1.035 158 T CA 1.872 63.910 62.100 -0.103 0.000 1.154 158 T CB -0.200 68.511 68.868 -0.261 0.000 0.862 158 T HN 0.429 nan 8.240 nan 0.000 0.441 159 D N 0.573 120.931 120.400 -0.070 0.000 2.117 159 D HA -0.006 4.639 4.640 0.009 0.000 0.198 159 D C 2.125 178.388 176.300 -0.062 0.000 0.982 159 D CA 0.552 54.525 54.000 -0.046 0.000 0.828 159 D CB -0.374 40.454 40.800 0.046 0.000 0.967 159 D HN 0.162 nan 8.370 nan 0.000 0.464 160 L N 1.116 122.292 121.223 -0.078 0.000 2.012 160 L HA -0.137 4.208 4.340 0.009 0.000 0.210 160 L C 2.352 179.155 176.870 -0.113 0.000 1.073 160 L CA 1.234 55.994 54.840 -0.134 0.000 0.748 160 L CB -0.524 41.373 42.059 -0.271 0.000 0.891 160 L HN -0.004 nan 8.230 nan 0.000 0.431 161 I N -1.092 119.424 120.570 -0.091 0.000 2.127 161 I HA -0.360 3.815 4.170 0.009 0.000 0.241 161 I C 2.623 178.697 176.117 -0.071 0.000 1.075 161 I CA 1.374 62.630 61.300 -0.074 0.000 1.334 161 I CB -0.335 37.628 38.000 -0.062 0.000 1.040 161 I HN 0.218 nan 8.210 nan 0.000 0.405 162 R N 0.550 121.002 120.500 -0.079 0.000 2.091 162 R HA -0.198 4.147 4.340 0.009 0.000 0.238 162 R C 2.141 178.407 176.300 -0.056 0.000 1.136 162 R CA 1.531 57.588 56.100 -0.071 0.000 0.959 162 R CB -0.341 29.909 30.300 -0.083 0.000 0.856 162 R HN 0.450 nan 8.270 nan 0.000 0.437 163 E N 0.663 120.828 120.200 -0.057 0.000 2.268 163 E HA -0.152 4.204 4.350 0.009 0.000 0.195 163 E C 0.860 177.431 176.600 -0.048 0.000 0.995 163 E CA 0.939 57.310 56.400 -0.049 0.000 0.836 163 E CB 0.172 29.841 29.700 -0.051 0.000 0.763 163 E HN 0.342 nan 8.360 nan 0.000 0.491 164 K N 0.241 120.608 120.400 -0.055 0.000 2.699 164 K HA 0.180 4.505 4.320 0.009 0.000 0.210 164 K C -0.564 176.013 176.600 -0.040 0.000 1.076 164 K CA -0.029 56.230 56.287 -0.048 0.000 1.109 164 K CB 0.913 33.379 32.500 -0.058 0.000 0.862 164 K HN -0.232 nan 8.250 nan 0.000 0.470 165 T N 0.622 115.153 114.554 -0.039 0.000 2.881 165 T HA 0.487 4.843 4.350 0.009 0.000 0.291 165 T C -0.184 174.499 174.700 -0.029 0.000 0.990 165 T CA -0.718 61.360 62.100 -0.036 0.000 0.976 165 T CB 1.767 70.606 68.868 -0.048 0.000 0.970 165 T HN 0.419 nan 8.240 nan 0.000 0.438 166 G N 0.878 109.667 108.800 -0.017 0.000 3.107 166 G HA2 0.488 4.453 3.960 0.009 0.000 0.232 166 G HA3 0.488 4.453 3.960 0.009 0.000 0.232 166 G C 1.052 175.960 174.900 0.012 0.000 1.339 166 G CA -0.559 44.540 45.100 -0.003 0.000 1.033 166 G HN 0.546 nan 8.290 nan 0.000 0.567 167 S N -0.325 115.403 115.700 0.047 0.000 2.370 167 S HA -0.108 4.367 4.470 0.009 0.000 0.226 167 S C 2.251 176.949 174.600 0.163 0.000 1.033 167 S CA 1.632 59.908 58.200 0.127 0.000 1.011 167 S CB -0.251 63.016 63.200 0.113 0.000 0.852 167 S HN 0.523 nan 8.310 nan 0.000 0.457 168 K N 1.383 121.835 120.400 0.086 0.000 1.965 168 K HA -0.165 4.160 4.320 0.009 0.000 0.218 168 K C 2.296 178.933 176.600 0.062 0.000 1.048 168 K CA 1.541 57.873 56.287 0.074 0.000 0.960 168 K CB -0.443 32.080 32.500 0.038 0.000 0.732 168 K HN 0.415 nan 8.250 nan 0.000 0.444 169 E N 1.378 121.590 120.200 0.021 0.000 2.097 169 E HA -0.194 4.162 4.350 0.009 0.000 0.196 169 E C 2.131 178.704 176.600 -0.045 0.000 1.000 169 E CA 1.451 57.849 56.400 -0.005 0.000 0.804 169 E CB -0.980 28.711 29.700 -0.016 0.000 0.740 169 E HN 0.116 nan 8.360 nan 0.000 0.454 170 V N 1.603 121.458 119.914 -0.098 0.000 2.828 170 V HA -0.183 3.943 4.120 0.009 0.000 0.260 170 V C 1.386 177.221 176.094 -0.432 0.000 1.101 170 V CA 1.670 63.814 62.300 -0.260 0.000 1.123 170 V CB -0.846 30.771 31.823 -0.343 0.000 0.704 170 V HN 0.352 nan 8.190 nan 0.000 0.493 171 H N -0.892 118.178 119.070 0.001 0.000 2.475 171 H HA 0.232 4.786 4.556 -0.002 0.000 0.276 171 H C 0.438 175.767 175.328 0.002 0.000 1.126 171 H CA 0.031 56.080 56.048 0.002 0.000 1.023 171 H CB 0.248 30.011 29.762 0.001 0.000 1.669 171 H HN 0.435 nan 8.280 nan 0.000 0.573 172 D N -0.627 119.808 120.400 0.058 0.000 3.077 172 D HA -0.172 4.473 4.640 0.009 0.000 0.217 172 D C 1.435 177.761 176.300 0.045 0.000 1.162 172 D CA 0.816 54.841 54.000 0.042 0.000 0.943 172 D CB -1.353 39.470 40.800 0.039 0.000 1.122 172 D HN 0.230 nan 8.370 nan 0.000 0.413 173 V N -0.911 119.037 119.914 0.058 0.000 2.346 173 V HA -0.053 4.072 4.120 0.009 0.000 0.244 173 V C 1.229 177.339 176.094 0.028 0.000 1.037 173 V CA 1.320 63.645 62.300 0.042 0.000 1.029 173 V CB -0.008 31.843 31.823 0.047 0.000 0.663 173 V HN 0.156 nan 8.190 nan 0.000 0.454 174 K N -0.117 120.299 120.400 0.027 0.000 2.324 174 K HA 0.466 4.791 4.320 0.009 0.000 0.253 174 K C -0.566 176.043 176.600 0.014 0.000 0.932 174 K CA -0.238 56.059 56.287 0.017 0.000 0.799 174 K CB 1.916 34.425 32.500 0.015 0.000 1.154 174 K HN 0.197 nan 8.250 nan 0.000 0.425 175 S N 2.756 118.464 115.700 0.014 0.000 2.610 175 S HA 0.430 4.905 4.470 0.009 0.000 0.273 175 S C 0.028 174.635 174.600 0.013 0.000 1.274 175 S CA -0.631 57.578 58.200 0.016 0.000 1.023 175 S CB 0.473 63.686 63.200 0.021 0.000 0.962 175 S HN 0.417 nan 8.310 nan 0.000 0.523 176 I N 1.620 122.198 120.570 0.014 0.000 2.437 176 I HA 0.254 4.430 4.170 0.009 0.000 0.298 176 I C -0.275 175.855 176.117 0.023 0.000 0.984 176 I CA -0.604 60.701 61.300 0.008 0.000 1.214 176 I CB 1.410 39.407 38.000 -0.005 0.000 1.365 176 I HN 0.513 nan 8.210 nan 0.000 0.469 177 D N 5.453 125.862 120.400 0.016 0.000 2.479 177 D HA 0.187 4.832 4.640 0.009 0.000 0.218 177 D C 0.270 176.580 176.300 0.018 0.000 1.131 177 D CA -0.223 53.794 54.000 0.029 0.000 0.916 177 D CB 1.262 42.073 40.800 0.019 0.000 1.022 177 D HN 0.330 nan 8.370 nan 0.000 0.515 178 V N 4.228 124.161 119.914 0.032 0.000 2.690 178 V HA 0.322 4.447 4.120 0.009 0.000 0.240 178 V C 0.305 176.438 176.094 0.064 0.000 1.078 178 V CA 0.561 62.877 62.300 0.026 0.000 1.102 178 V CB -0.044 31.778 31.823 -0.001 0.000 0.800 178 V HN 0.438 nan 8.190 nan 0.000 0.479 179 L N 3.361 124.593 121.223 0.014 0.000 2.317 179 L HA 0.521 4.866 4.340 0.009 0.000 0.281 179 L C -2.373 174.541 176.870 0.073 0.000 1.024 179 L CA -2.009 52.808 54.840 -0.038 0.000 0.810 179 L CB 1.483 43.322 42.059 -0.367 0.000 1.240 179 L HN 0.149 nan 8.230 nan 0.000 0.427 180 P HA 0.028 nan 4.420 nan 0.000 0.268 180 P C 0.552 177.980 177.300 0.213 0.000 1.204 180 P CA 0.315 63.480 63.100 0.109 0.000 0.768 180 P CB 0.947 32.695 31.700 0.079 0.000 0.842 181 G N 1.743 110.674 108.800 0.219 0.000 2.366 181 G HA2 -0.251 3.714 3.960 0.009 0.000 0.299 181 G HA3 -0.251 3.714 3.960 0.009 0.000 0.299 181 G C -0.577 174.570 174.900 0.411 0.000 1.020 181 G CA -0.100 45.161 45.100 0.270 0.000 1.026 181 G HN 0.544 nan 8.290 nan 0.000 0.512 182 F N 0.333 120.351 119.950 0.114 0.000 2.619 182 F HA 0.603 5.132 4.527 0.004 0.000 0.308 182 F C -1.950 173.877 175.800 0.045 0.000 1.097 182 F CA -1.758 56.298 58.000 0.095 0.000 0.953 182 F CB 2.034 41.060 39.000 0.045 0.000 1.287 182 F HN 0.054 nan 8.300 nan 0.000 0.446 183 P HA 0.053 nan 4.420 nan 0.000 0.271 183 P C -1.108 176.265 177.300 0.123 0.000 1.244 183 P CA -0.197 62.888 63.100 -0.024 0.000 0.793 183 P CB 0.648 32.266 31.700 -0.136 0.000 0.984 184 E N -0.138 120.106 120.200 0.074 0.000 2.331 184 E HA 0.321 4.677 4.350 0.009 0.000 0.272 184 E C -0.593 176.058 176.600 0.085 0.000 1.036 184 E CA -0.394 56.055 56.400 0.082 0.000 0.864 184 E CB 0.212 29.939 29.700 0.045 0.000 1.035 184 E HN 0.273 nan 8.360 nan 0.000 0.408 185 L N 2.781 124.060 121.223 0.092 0.000 2.313 185 L HA 0.568 4.914 4.340 0.009 0.000 0.268 185 L C -0.406 176.491 176.870 0.044 0.000 1.010 185 L CA -1.311 53.578 54.840 0.082 0.000 0.814 185 L CB 1.378 43.503 42.059 0.110 0.000 1.304 185 L HN 0.323 nan 8.230 nan 0.000 0.441 186 K N 0.062 120.484 120.400 0.037 0.000 2.123 186 K HA 0.536 4.861 4.320 0.009 0.000 0.248 186 K C 0.587 177.195 176.600 0.013 0.000 0.969 186 K CA -0.200 56.100 56.287 0.021 0.000 0.882 186 K CB 1.552 34.063 32.500 0.020 0.000 1.080 186 K HN 0.601 nan 8.250 nan 0.000 0.441 187 A N 0.716 123.534 122.820 -0.003 0.000 2.024 187 A HA -0.180 4.145 4.320 0.009 0.000 0.220 187 A C 1.701 179.282 177.584 -0.004 0.000 1.164 187 A CA 2.189 54.216 52.037 -0.017 0.000 0.643 187 A CB -0.958 18.013 19.000 -0.047 0.000 0.806 187 A HN 0.726 nan 8.150 nan 0.000 0.451 188 S N -0.179 115.524 115.700 0.005 0.000 2.481 188 S HA -0.116 4.360 4.470 0.009 0.000 0.231 188 S C 1.176 175.789 174.600 0.022 0.000 0.996 188 S CA 1.110 59.317 58.200 0.012 0.000 0.942 188 S CB -0.287 62.920 63.200 0.012 0.000 0.768 188 S HN 0.516 nan 8.310 nan 0.000 0.520 189 D N 1.808 122.225 120.400 0.028 0.000 2.149 189 D HA 0.143 4.788 4.640 0.009 0.000 0.201 189 D C 0.749 177.076 176.300 0.045 0.000 0.972 189 D CA 0.395 54.422 54.000 0.046 0.000 0.835 189 D CB -0.362 40.478 40.800 0.067 0.000 0.966 189 D HN 0.408 nan 8.370 nan 0.000 0.476 190 L N 1.554 122.791 121.223 0.023 0.000 2.467 190 L HA 0.151 4.497 4.340 0.009 0.000 0.270 190 L C -1.991 174.897 176.870 0.031 0.000 1.205 190 L CA -1.557 53.284 54.840 0.002 0.000 0.828 190 L CB -0.231 41.813 42.059 -0.026 0.000 1.101 190 L HN -0.209 nan 8.230 nan 0.000 0.479 191 P HA -0.011 nan 4.420 nan 0.000 0.268 191 P C -0.497 176.871 177.300 0.115 0.000 1.205 191 P CA -0.271 62.901 63.100 0.120 0.000 0.771 191 P CB 0.435 32.261 31.700 0.210 0.000 0.858 192 E N 1.923 122.189 120.200 0.109 0.000 2.481 192 E HA 0.071 4.426 4.350 0.009 0.000 0.263 192 E C 1.029 177.704 176.600 0.125 0.000 0.992 192 E CA 0.992 57.445 56.400 0.088 0.000 0.938 192 E CB -0.403 29.333 29.700 0.061 0.000 0.933 192 E HN 0.740 nan 8.360 nan 0.000 0.453 193 G N 2.400 111.262 108.800 0.103 0.000 2.279 193 G HA2 -0.302 3.664 3.960 0.009 0.000 0.223 193 G HA3 -0.302 3.664 3.960 0.009 0.000 0.223 193 G C 0.866 175.810 174.900 0.074 0.000 1.015 193 G CA 0.150 45.322 45.100 0.119 0.000 0.621 193 G HN 0.485 nan 8.290 nan 0.000 0.506 194 V N 0.947 120.896 119.914 0.059 0.000 2.358 194 V HA 0.097 4.222 4.120 0.009 0.000 0.246 194 V C 2.289 178.353 176.094 -0.051 0.000 1.047 194 V CA 1.978 64.272 62.300 -0.010 0.000 1.035 194 V CB -0.231 31.562 31.823 -0.050 0.000 0.658 194 V HN 0.456 nan 8.190 nan 0.000 0.452 195 I N -1.902 118.647 120.570 -0.036 0.000 4.592 195 I HA 0.278 4.453 4.170 0.009 0.000 0.329 195 I C 0.218 176.309 176.117 -0.042 0.000 1.309 195 I CA 0.277 61.546 61.300 -0.051 0.000 1.243 195 I CB 0.332 38.296 38.000 -0.060 0.000 1.241 195 I HN 0.222 nan 8.210 nan 0.000 0.434 196 K N 1.034 121.424 120.400 -0.016 0.000 2.318 196 K HA 0.389 4.714 4.320 0.009 0.000 0.249 196 K C -0.215 176.400 176.600 0.025 0.000 0.942 196 K CA -0.473 55.810 56.287 -0.006 0.000 0.808 196 K CB 1.094 33.592 32.500 -0.003 0.000 1.189 196 K HN -0.029 nan 8.250 nan 0.000 0.428 197 D N 1.625 122.041 120.400 0.028 0.000 2.737 197 D HA -0.214 4.431 4.640 0.009 0.000 0.233 197 D C 0.895 177.224 176.300 0.047 0.000 1.155 197 D CA 0.969 54.998 54.000 0.048 0.000 0.667 197 D CB -1.002 39.847 40.800 0.082 0.000 1.060 197 D HN 0.724 nan 8.370 nan 0.000 0.427 198 I N -1.971 118.614 120.570 0.024 0.000 2.623 198 I HA -0.252 3.923 4.170 0.009 0.000 0.261 198 I C 1.733 177.861 176.117 0.020 0.000 1.204 198 I CA 1.820 63.131 61.300 0.019 0.000 1.444 198 I CB -0.189 37.806 38.000 -0.009 0.000 1.094 198 I HN -0.040 nan 8.210 nan 0.000 0.451 199 D N 2.210 122.614 120.400 0.007 0.000 2.327 199 D HA -0.001 4.645 4.640 0.009 0.000 0.205 199 D C 1.163 177.428 176.300 -0.060 0.000 0.989 199 D CA 0.482 54.470 54.000 -0.019 0.000 0.873 199 D CB -0.472 40.315 40.800 -0.023 0.000 0.955 199 D HN 0.441 nan 8.370 nan 0.000 0.515 200 V N -1.093 118.787 119.914 -0.057 0.000 2.963 200 V HA 0.078 4.203 4.120 0.009 0.000 0.306 200 V C -1.445 174.526 176.094 -0.206 0.000 1.077 200 V CA -1.189 60.982 62.300 -0.215 0.000 1.124 200 V CB 0.612 32.380 31.823 -0.092 0.000 0.987 200 V HN -0.251 nan 8.190 nan 0.000 0.487 201 P HA -0.188 nan 4.420 nan 0.000 0.217 201 P C 1.486 178.855 177.300 0.115 0.000 1.158 201 P CA 1.886 64.888 63.100 -0.163 0.000 0.887 201 P CB -0.076 31.479 31.700 -0.243 0.000 0.792 202 F N -0.128 119.968 119.950 0.243 0.000 2.134 202 F HA -0.187 4.346 4.527 0.010 0.000 0.299 202 F C 2.245 178.087 175.800 0.071 0.000 1.097 202 F CA 1.513 59.660 58.000 0.246 0.000 1.264 202 F CB -0.528 38.683 39.000 0.353 0.000 1.001 202 F HN -0.146 nan 8.300 nan 0.000 0.479 203 A N -1.174 121.845 122.820 0.332 0.000 1.930 203 A HA -0.149 4.176 4.320 0.009 0.000 0.217 203 A C 2.149 179.791 177.584 0.098 0.000 1.175 203 A CA 2.117 54.275 52.037 0.201 0.000 0.627 203 A CB -1.254 17.838 19.000 0.153 0.000 0.815 203 A HN 0.372 nan 8.150 nan 0.000 0.443 204 T N -0.535 114.047 114.554 0.048 0.000 2.857 204 T HA -0.098 4.258 4.350 0.009 0.000 0.266 204 T C 1.911 176.559 174.700 -0.086 0.000 1.048 204 T CA 1.480 63.571 62.100 -0.015 0.000 1.139 204 T CB -0.246 68.588 68.868 -0.057 0.000 0.874 204 T HN 0.523 nan 8.240 nan 0.000 0.455 205 M N 0.454 120.026 119.600 -0.048 0.000 2.086 205 M HA -0.045 4.441 4.480 0.009 0.000 0.261 205 M C 1.894 178.160 176.300 -0.058 0.000 1.067 205 M CA 1.655 56.953 55.300 -0.003 0.000 1.116 205 M CB -0.230 32.354 32.600 -0.026 0.000 1.348 205 M HN 0.216 nan 8.290 nan 0.000 0.407 206 L N -1.224 119.904 121.223 -0.157 0.000 2.093 206 L HA -0.240 4.105 4.340 0.009 0.000 0.208 206 L C 2.607 179.478 176.870 0.002 0.000 1.085 206 L CA 1.494 56.217 54.840 -0.195 0.000 0.755 206 L CB -0.985 40.886 42.059 -0.313 0.000 0.904 206 L HN 0.499 nan 8.230 nan 0.000 0.435 207 H N 0.483 119.515 119.070 -0.064 0.000 2.326 207 H HA -0.152 4.410 4.556 0.011 0.000 0.301 207 H C 2.210 177.491 175.328 -0.078 0.000 1.081 207 H CA 1.289 57.314 56.048 -0.038 0.000 1.334 207 H CB 0.324 30.054 29.762 -0.052 0.000 1.385 207 H HN 0.188 nan 8.280 nan 0.000 0.504 208 K N 0.273 120.556 120.400 -0.196 0.000 2.103 208 K HA -0.193 4.132 4.320 0.009 0.000 0.207 208 K C 2.391 178.983 176.600 -0.014 0.000 1.048 208 K CA 1.475 57.547 56.287 -0.358 0.000 0.930 208 K CB -0.114 31.807 32.500 -0.966 0.000 0.716 208 K HN 0.408 nan 8.250 nan 0.000 0.444 209 M N 0.403 120.077 119.600 0.124 0.000 2.086 209 M HA -0.141 4.345 4.480 0.009 0.000 0.261 209 M C 2.061 178.455 176.300 0.157 0.000 1.067 209 M CA 2.142 57.587 55.300 0.241 0.000 1.116 209 M CB -0.501 32.219 32.600 0.201 0.000 1.348 209 M HN 0.205 nan 8.290 nan 0.000 0.407 210 G N 0.833 109.705 108.800 0.120 0.000 2.442 210 G HA2 -0.207 3.758 3.960 0.009 0.000 0.219 210 G HA3 -0.207 3.758 3.960 0.009 0.000 0.219 210 G C 1.420 176.404 174.900 0.140 0.000 1.141 210 G CA 1.049 46.227 45.100 0.131 0.000 0.763 210 G HN 0.505 nan 8.290 nan 0.000 0.554 211 L N 0.027 121.308 121.223 0.097 0.000 2.179 211 L HA 0.060 4.406 4.340 0.009 0.000 0.208 211 L C 2.674 179.612 176.870 0.114 0.000 1.096 211 L CA 0.775 55.654 54.840 0.064 0.000 0.779 211 L CB -0.203 41.817 42.059 -0.065 0.000 0.922 211 L HN 0.155 nan 8.230 nan 0.000 0.443 212 E N 0.145 120.450 120.200 0.176 0.000 2.318 212 E HA -0.012 4.343 4.350 0.009 0.000 0.193 212 E C 2.362 179.157 176.600 0.326 0.000 0.998 212 E CA 0.394 56.957 56.400 0.271 0.000 0.859 212 E CB 0.063 29.988 29.700 0.375 0.000 0.812 212 E HN 0.469 nan 8.360 nan 0.000 0.492 213 L N 1.067 122.412 121.223 0.204 0.000 2.081 213 L HA -0.169 4.176 4.340 0.009 0.000 0.212 213 L C -0.549 176.281 176.870 -0.067 0.000 1.080 213 L CA 1.422 56.221 54.840 -0.068 0.000 0.754 213 L CB -1.563 40.341 42.059 -0.259 0.000 0.893 213 L HN 0.086 nan 8.230 nan 0.000 0.433 214 P HA -0.121 nan 4.420 nan 0.000 0.228 214 P C 1.108 178.487 177.300 0.132 0.000 1.151 214 P CA 1.112 64.337 63.100 0.209 0.000 0.770 214 P CB -0.012 31.809 31.700 0.203 0.000 0.786 215 R N -0.775 119.823 120.500 0.162 0.000 2.240 215 R HA 0.235 4.581 4.340 0.009 0.000 0.203 215 R C 1.028 177.446 176.300 0.198 0.000 1.011 215 R CA -0.040 56.173 56.100 0.188 0.000 1.007 215 R CB -0.266 30.177 30.300 0.239 0.000 0.911 215 R HN 0.122 nan 8.270 nan 0.000 0.468 216 A N 1.378 124.247 122.820 0.082 0.000 2.425 216 A HA 0.057 4.382 4.320 0.009 0.000 0.242 216 A C 0.611 178.150 177.584 -0.075 0.000 1.077 216 A CA -0.308 51.672 52.037 -0.095 0.000 0.781 216 A CB 0.268 18.829 19.000 -0.732 0.000 1.020 216 A HN 0.269 nan 8.150 nan 0.000 0.494 217 N N 0.342 119.011 118.700 -0.051 0.000 2.120 217 N HA 0.005 4.750 4.740 0.009 0.000 0.188 217 N C 0.445 175.913 175.510 -0.071 0.000 1.024 217 N CA 1.587 54.621 53.050 -0.026 0.000 0.852 217 N CB -0.050 38.437 38.487 0.000 0.000 1.003 217 N HN 0.830 nan 8.380 nan 0.000 0.424 218 A N 0.123 122.846 122.820 -0.162 0.000 2.594 218 A HA 0.510 4.835 4.320 0.009 0.000 0.296 218 A C -1.295 176.100 177.584 -0.314 0.000 1.061 218 A CA -0.535 51.401 52.037 -0.168 0.000 0.689 218 A CB 1.561 20.503 19.000 -0.096 0.000 1.280 218 A HN -0.121 nan 8.150 nan 0.000 0.406 219 V N 1.629 121.354 119.914 -0.315 0.000 2.357 219 V HA 0.672 4.797 4.120 0.009 0.000 0.284 219 V C 0.641 176.613 176.094 -0.204 0.000 1.018 219 V CA 0.019 62.063 62.300 -0.425 0.000 0.841 219 V CB 0.976 32.322 31.823 -0.794 0.000 0.991 219 V HN 1.405 nan 8.190 nan 0.000 0.437 220 A N 5.706 128.422 122.820 -0.172 0.000 2.282 220 A HA 0.949 5.275 4.320 0.009 0.000 0.319 220 A C -0.637 176.928 177.584 -0.031 0.000 1.121 220 A CA -0.609 51.378 52.037 -0.083 0.000 0.836 220 A CB 1.166 20.114 19.000 -0.086 0.000 1.146 220 A HN 0.913 nan 8.150 nan 0.000 0.494 221 I N 0.600 121.169 120.570 -0.001 0.000 2.722 221 I HA 0.283 4.458 4.170 0.009 0.000 0.292 221 I C -1.152 174.924 176.117 -0.070 0.000 1.267 221 I CA -0.686 60.623 61.300 0.016 0.000 1.036 221 I CB 2.039 40.090 38.000 0.086 0.000 1.281 221 I HN 0.639 nan 8.210 nan 0.000 0.423 222 N N 5.235 123.802 118.700 -0.222 0.000 2.895 222 N HA 0.302 5.047 4.740 0.009 0.000 0.277 222 N C -1.177 174.368 175.510 0.058 0.000 1.185 222 N CA 0.453 53.226 53.050 -0.462 0.000 1.106 222 N CB 0.125 38.053 38.487 -0.932 0.000 1.422 222 N HN 0.647 nan 8.380 nan 0.000 0.521 223 S N 1.742 117.531 115.700 0.147 0.000 2.661 223 S HA 0.695 5.170 4.470 0.009 0.000 0.268 223 S C -1.731 173.073 174.600 0.340 0.000 1.162 223 S CA -0.814 57.584 58.200 0.331 0.000 0.817 223 S CB 0.129 63.494 63.200 0.275 0.000 1.141 223 S HN 0.258 nan 8.310 nan 0.000 0.477 224 F N 0.129 120.178 119.950 0.166 0.000 2.588 224 F HA 0.873 5.406 4.527 0.010 0.000 0.314 224 F C 0.888 176.760 175.800 0.121 0.000 1.069 224 F CA -0.654 57.416 58.000 0.117 0.000 0.931 224 F CB 1.069 40.118 39.000 0.083 0.000 1.260 224 F HN 0.639 nan 8.300 nan 0.000 0.465 225 A N 0.960 123.917 122.820 0.229 0.000 2.084 225 A HA -0.096 4.229 4.320 0.009 0.000 0.221 225 A C 1.658 179.272 177.584 0.050 0.000 1.161 225 A CA 2.253 54.359 52.037 0.115 0.000 0.653 225 A CB -1.534 17.546 19.000 0.133 0.000 0.802 225 A HN 0.894 nan 8.150 nan 0.000 0.457 226 T N -0.157 114.433 114.554 0.060 0.000 3.055 226 T HA 0.058 4.413 4.350 0.009 0.000 0.265 226 T C 1.648 176.230 174.700 -0.196 0.000 1.111 226 T CA 0.580 62.688 62.100 0.013 0.000 1.118 226 T CB -0.132 68.895 68.868 0.265 0.000 0.909 226 T HN 0.327 nan 8.240 nan 0.000 0.501 227 I N 0.929 121.233 120.570 -0.444 0.000 2.127 227 I HA -0.092 4.084 4.170 0.009 0.000 0.241 227 I C 1.005 177.099 176.117 -0.039 0.000 1.075 227 I CA 1.675 62.799 61.300 -0.293 0.000 1.334 227 I CB -0.550 37.315 38.000 -0.226 0.000 1.040 227 I HN 0.384 nan 8.210 nan 0.000 0.405 228 H N -0.452 118.580 119.070 -0.063 0.000 2.895 228 H HA 0.198 4.758 4.556 0.008 0.000 0.282 228 H C -2.043 173.278 175.328 -0.013 0.000 1.338 228 H CA -1.108 54.933 56.048 -0.013 0.000 1.595 228 H CB 1.411 31.185 29.762 0.021 0.000 1.771 228 H HN -0.173 nan 8.280 nan 0.000 0.573 229 P HA -0.264 nan 4.420 nan 0.000 0.214 229 P C 1.494 178.876 177.300 0.137 0.000 1.172 229 P CA 1.507 64.653 63.100 0.076 0.000 0.925 229 P CB 0.329 32.040 31.700 0.017 0.000 0.793 230 L N -1.694 119.665 121.223 0.227 0.000 2.046 230 L HA -0.173 4.172 4.340 0.009 0.000 0.208 230 L C 2.382 179.308 176.870 0.093 0.000 1.077 230 L CA 1.255 56.202 54.840 0.179 0.000 0.747 230 L CB -1.003 41.187 42.059 0.219 0.000 0.896 230 L HN -0.025 nan 8.230 nan 0.000 0.432 231 I N 0.303 120.920 120.570 0.078 0.000 2.179 231 I HA -0.251 3.925 4.170 0.009 0.000 0.242 231 I C 2.454 178.486 176.117 -0.141 0.000 1.088 231 I CA 1.533 62.713 61.300 -0.199 0.000 1.357 231 I CB -1.073 36.667 38.000 -0.433 0.000 1.051 231 I HN 0.318 nan 8.210 nan 0.000 0.409 232 E N 0.782 120.955 120.200 -0.044 0.000 2.118 232 E HA -0.218 4.137 4.350 0.009 0.000 0.195 232 E C 1.888 178.445 176.600 -0.073 0.000 0.992 232 E CA 1.130 57.499 56.400 -0.052 0.000 0.804 232 E CB -0.102 29.603 29.700 0.008 0.000 0.741 232 E HN 0.490 nan 8.360 nan 0.000 0.458 233 N N 0.816 119.490 118.700 -0.044 0.000 2.166 233 N HA -0.153 4.592 4.740 0.009 0.000 0.186 233 N C 1.557 177.011 175.510 -0.093 0.000 1.019 233 N CA 0.933 53.956 53.050 -0.046 0.000 0.856 233 N CB -0.093 38.386 38.487 -0.012 0.000 0.993 233 N HN 0.258 nan 8.380 nan 0.000 0.426 234 E N 1.229 121.355 120.200 -0.123 0.000 2.028 234 E HA -0.061 4.294 4.350 0.009 0.000 0.191 234 E C 2.348 178.767 176.600 -0.301 0.000 0.988 234 E CA 0.407 56.710 56.400 -0.161 0.000 0.799 234 E CB -0.482 29.119 29.700 -0.164 0.000 0.755 234 E HN 0.346 nan 8.360 nan 0.000 0.447 235 L N 1.194 122.182 121.223 -0.392 0.000 2.042 235 L HA -0.230 4.116 4.340 0.009 0.000 0.210 235 L C 2.373 178.867 176.870 -0.626 0.000 1.076 235 L CA 1.286 55.729 54.840 -0.662 0.000 0.749 235 L CB -0.520 41.284 42.059 -0.426 0.000 0.893 235 L HN 0.144 nan 8.230 nan 0.000 0.432 236 N N -0.430 118.102 118.700 -0.280 0.000 2.289 236 N HA -0.177 4.569 4.740 0.009 0.000 0.184 236 N C 1.917 177.342 175.510 -0.143 0.000 1.016 236 N CA 1.391 54.356 53.050 -0.142 0.000 0.872 236 N CB 0.062 38.512 38.487 -0.061 0.000 0.973 236 N HN 0.355 nan 8.380 nan 0.000 0.433 237 S N -1.365 114.227 115.700 -0.180 0.000 2.478 237 S HA 0.126 4.601 4.470 0.009 0.000 0.222 237 S C 1.557 176.065 174.600 -0.153 0.000 1.008 237 S CA 0.164 58.290 58.200 -0.123 0.000 0.928 237 S CB 0.073 63.221 63.200 -0.087 0.000 0.781 237 S HN 0.072 nan 8.310 nan 0.000 0.518 238 K N 0.948 121.153 120.400 -0.326 0.000 2.186 238 K HA 0.323 4.648 4.320 0.009 0.000 0.202 238 K C 0.247 176.776 176.600 -0.118 0.000 1.052 238 K CA 0.309 56.406 56.287 -0.316 0.000 0.965 238 K CB -0.276 31.886 32.500 -0.563 0.000 0.746 238 K HN 0.520 nan 8.250 nan 0.000 0.457 239 F N 0.818 120.741 119.950 -0.045 0.000 2.457 239 F HA 0.261 4.794 4.527 0.009 0.000 0.330 239 F C 1.699 177.478 175.800 -0.034 0.000 1.069 239 F CA -1.146 56.823 58.000 -0.050 0.000 1.009 239 F CB 1.048 39.999 39.000 -0.082 0.000 1.276 239 F HN -0.330 nan 8.300 nan 0.000 0.492 240 K N 0.396 120.906 120.400 0.184 0.000 2.155 240 K HA 0.130 4.456 4.320 0.009 0.000 0.203 240 K C -0.156 176.491 176.600 0.078 0.000 1.052 240 K CA 1.039 57.381 56.287 0.092 0.000 0.948 240 K CB 0.386 32.919 32.500 0.055 0.000 0.728 240 K HN 0.397 nan 8.250 nan 0.000 0.448 241 L N 0.788 122.067 121.223 0.095 0.000 2.592 241 L HA 0.290 4.635 4.340 0.009 0.000 0.258 241 L C -2.101 174.828 176.870 0.099 0.000 0.926 241 L CA -0.911 53.971 54.840 0.071 0.000 0.885 241 L CB 1.998 44.073 42.059 0.027 0.000 1.380 241 L HN -0.075 nan 8.230 nan 0.000 0.415 242 L N 4.876 126.165 121.223 0.110 0.000 2.333 242 L HA 0.660 5.006 4.340 0.009 0.000 0.280 242 L C -1.560 175.349 176.870 0.065 0.000 1.004 242 L CA -0.089 54.829 54.840 0.129 0.000 0.820 242 L CB 1.654 43.812 42.059 0.164 0.000 1.247 242 L HN 0.439 nan 8.230 nan 0.000 0.416 243 L N 5.308 126.553 121.223 0.036 0.000 2.343 243 L HA 0.501 4.846 4.340 0.009 0.000 0.278 243 L C -0.322 176.572 176.870 0.039 0.000 0.996 243 L CA -0.540 54.317 54.840 0.028 0.000 0.831 243 L CB 1.456 43.508 42.059 -0.012 0.000 1.232 243 L HN 0.566 nan 8.230 nan 0.000 0.413 244 N N 2.730 121.476 118.700 0.077 0.000 2.402 244 N HA 0.124 4.869 4.740 0.009 0.000 0.252 244 N C 0.551 176.141 175.510 0.134 0.000 1.118 244 N CA 0.045 53.161 53.050 0.111 0.000 0.945 244 N CB 2.044 40.620 38.487 0.148 0.000 1.147 244 N HN 0.509 nan 8.380 nan 0.000 0.495 245 V N -0.034 119.952 119.914 0.120 0.000 3.276 245 V HA 0.482 4.607 4.120 0.009 0.000 0.319 245 V C 0.937 177.261 176.094 0.384 0.000 1.427 245 V CA -0.375 62.042 62.300 0.195 0.000 1.102 245 V CB 0.336 32.108 31.823 -0.086 0.000 1.020 245 V HN 0.394 nan 8.190 nan 0.000 0.456 246 G N 1.114 110.061 108.800 0.245 0.000 2.753 246 G HA2 0.671 4.636 3.960 0.009 0.000 0.285 246 G HA3 0.671 4.636 3.960 0.009 0.000 0.285 246 G C -3.017 172.019 174.900 0.226 0.000 1.344 246 G CA -1.869 43.367 45.100 0.226 0.000 1.050 246 G HN 0.238 nan 8.290 nan 0.000 0.532 247 P HA 0.138 nan 4.420 nan 0.000 0.276 247 P C 0.317 177.740 177.300 0.205 0.000 1.230 247 P CA -0.338 62.828 63.100 0.111 0.000 0.776 247 P CB 1.024 32.725 31.700 0.002 0.000 0.888 248 F N 2.882 122.880 119.950 0.080 0.000 2.202 248 F HA -0.200 4.334 4.527 0.010 0.000 0.301 248 F C 1.998 177.805 175.800 0.011 0.000 1.082 248 F CA 1.599 59.644 58.000 0.075 0.000 1.313 248 F CB -1.886 37.161 39.000 0.079 0.000 1.024 248 F HN 0.475 nan 8.300 nan 0.000 0.495 249 N N -0.105 118.694 118.700 0.165 0.000 2.443 249 N HA -0.151 4.594 4.740 0.009 0.000 0.184 249 N C 1.516 177.013 175.510 -0.021 0.000 1.037 249 N CA 0.939 54.015 53.050 0.044 0.000 0.896 249 N CB -0.374 38.108 38.487 -0.008 0.000 0.959 249 N HN 0.305 nan 8.380 nan 0.000 0.442 250 L N -0.334 120.863 121.223 -0.044 0.000 2.537 250 L HA 0.110 4.455 4.340 0.009 0.000 0.224 250 L C 2.039 178.875 176.870 -0.056 0.000 1.065 250 L CA 0.808 55.577 54.840 -0.119 0.000 0.860 250 L CB -0.035 41.846 42.059 -0.297 0.000 1.086 250 L HN 0.396 nan 8.230 nan 0.000 0.482 251 T N -4.027 110.551 114.554 0.039 0.000 3.037 251 T HA 0.048 4.403 4.350 0.009 0.000 0.251 251 T C 0.838 175.475 174.700 -0.106 0.000 1.079 251 T CA 0.396 62.503 62.100 0.012 0.000 1.067 251 T CB -0.156 68.877 68.868 0.275 0.000 0.948 251 T HN 0.252 nan 8.240 nan 0.000 0.496 252 T N -0.267 114.257 114.554 -0.049 0.000 2.916 252 T HA 0.670 5.025 4.350 0.009 0.000 0.292 252 T C -2.496 172.141 174.700 -0.107 0.000 1.055 252 T CA -1.772 60.246 62.100 -0.136 0.000 1.009 252 T CB 2.408 71.132 68.868 -0.240 0.000 1.118 252 T HN -0.107 nan 8.240 nan 0.000 0.497 253 P HA 0.172 nan 4.420 nan 0.000 0.262 253 P C -0.636 176.620 177.300 -0.074 0.000 1.339 253 P CA 0.114 63.160 63.100 -0.089 0.000 0.706 253 P CB -0.257 31.386 31.700 -0.094 0.000 1.424 254 Q N -2.286 117.469 119.800 -0.076 0.000 2.798 254 Q HA -0.119 4.227 4.340 0.009 0.000 0.167 254 Q C 0.175 176.154 176.000 -0.037 0.000 1.478 254 Q CA 0.258 56.021 55.803 -0.066 0.000 0.498 254 Q CB -0.541 28.158 28.738 -0.065 0.000 0.665 254 Q HN 0.210 nan 8.270 nan 0.000 0.319 255 R N 2.528 123.010 120.500 -0.030 0.000 0.587 255 R HA 0.317 4.663 4.340 0.009 0.000 0.048 255 R C 0.262 176.565 176.300 0.006 0.000 0.448 255 R CA 1.236 57.328 56.100 -0.013 0.000 2.164 255 R CB -0.012 30.282 30.300 -0.011 0.000 0.482 255 R HN 0.775 nan 8.270 nan 0.000 0.806 256 K N -2.225 118.187 120.400 0.021 0.000 3.366 256 K HA -0.078 4.247 4.320 0.009 0.000 0.285 256 K C -0.642 175.980 176.600 0.038 0.000 1.356 256 K CA 0.438 56.757 56.287 0.054 0.000 0.847 256 K CB -1.932 30.619 32.500 0.085 0.000 1.587 256 K HN 0.112 nan 8.250 nan 0.000 0.504 257 V N 1.927 121.851 119.914 0.016 0.000 2.248 257 V HA 0.031 4.156 4.120 0.009 0.000 0.309 257 V C 0.613 176.714 176.094 0.010 0.000 1.722 257 V CA 0.431 62.733 62.300 0.004 0.000 1.693 257 V CB 0.512 32.333 31.823 -0.004 0.000 1.470 257 V HN 0.327 nan 8.190 nan 0.000 0.518 258 S N 1.248 116.963 115.700 0.026 0.000 2.442 258 S HA 0.425 4.900 4.470 0.009 0.000 0.297 258 S C -0.301 174.311 174.600 0.021 0.000 1.131 258 S CA -0.559 57.658 58.200 0.029 0.000 1.092 258 S CB 1.176 64.413 63.200 0.063 0.000 0.998 258 S HN 0.552 nan 8.310 nan 0.000 0.478 259 D N 3.387 123.787 120.400 -0.001 0.000 2.739 259 D HA 0.155 4.801 4.640 0.009 0.000 0.335 259 D C 0.880 177.143 176.300 -0.062 0.000 1.216 259 D CA -0.235 53.764 54.000 -0.002 0.000 0.808 259 D CB 0.485 41.294 40.800 0.015 0.000 1.121 259 D HN 0.831 nan 8.370 nan 0.000 0.499 260 E N -0.206 119.902 120.200 -0.154 0.000 2.393 260 E HA -0.191 4.165 4.350 0.009 0.000 0.201 260 E C 0.152 176.402 176.600 -0.582 0.000 1.025 260 E CA 1.002 57.179 56.400 -0.372 0.000 0.856 260 E CB 0.212 29.618 29.700 -0.489 0.000 0.771 260 E HN 0.432 nan 8.360 nan 0.000 0.526 261 H N -1.481 117.587 119.070 -0.004 0.000 2.549 261 H HA 0.192 4.754 4.556 0.009 0.000 0.253 261 H C 0.652 175.957 175.328 -0.038 0.000 1.170 261 H CA 0.304 56.330 56.048 -0.037 0.000 0.943 261 H CB 0.687 30.410 29.762 -0.064 0.000 1.849 261 H HN 0.209 nan 8.280 nan 0.000 0.603 262 G N 1.258 110.089 108.800 0.052 0.000 2.441 262 G HA2 -0.354 3.612 3.960 0.009 0.000 0.298 262 G HA3 -0.354 3.612 3.960 0.009 0.000 0.298 262 G C 1.195 176.174 174.900 0.131 0.000 0.949 262 G CA 0.681 45.830 45.100 0.081 0.000 1.072 262 G HN 0.547 nan 8.290 nan 0.000 0.512 263 C N -0.784 118.581 119.300 0.109 0.000 2.446 263 C HA 0.014 4.479 4.460 0.009 0.000 0.277 263 C C 2.931 178.028 174.990 0.178 0.000 1.275 263 C CA 1.232 60.336 59.018 0.142 0.000 1.727 263 C CB -0.922 26.862 27.740 0.074 0.000 2.010 263 C HN 0.685 nan 8.230 nan 0.000 0.486 264 L N 0.492 121.789 121.223 0.123 0.000 2.109 264 L HA -0.095 4.251 4.340 0.009 0.000 0.207 264 L C 2.576 179.544 176.870 0.164 0.000 1.086 264 L CA 1.355 56.280 54.840 0.142 0.000 0.760 264 L CB -0.779 41.359 42.059 0.132 0.000 0.910 264 L HN 0.223 nan 8.230 nan 0.000 0.437 265 E N -0.324 119.971 120.200 0.159 0.000 2.047 265 E HA -0.243 4.112 4.350 0.009 0.000 0.191 265 E C 1.735 178.453 176.600 0.196 0.000 0.987 265 E CA 1.276 57.768 56.400 0.154 0.000 0.799 265 E CB -0.388 29.392 29.700 0.133 0.000 0.752 265 E HN 0.421 nan 8.360 nan 0.000 0.449 266 W N 0.786 122.108 121.300 0.037 0.000 2.342 266 W HA -0.131 4.534 4.660 0.008 0.000 0.297 266 W C 1.586 178.149 176.519 0.073 0.000 1.213 266 W CA 1.349 58.733 57.345 0.065 0.000 1.251 266 W CB -0.211 29.261 29.460 0.021 0.000 1.136 266 W HN 0.053 nan 8.180 nan 0.000 0.526 267 L N -0.032 121.206 121.223 0.024 0.000 2.156 267 L HA -0.189 4.156 4.340 0.009 0.000 0.208 267 L C 2.211 178.938 176.870 -0.239 0.000 1.095 267 L CA 1.304 55.930 54.840 -0.357 0.000 0.770 267 L CB -0.709 40.955 42.059 -0.659 0.000 0.914 267 L HN -0.126 nan 8.230 nan 0.000 0.439 268 D N 0.158 120.576 120.400 0.031 0.000 2.097 268 D HA -0.210 4.435 4.640 0.009 0.000 0.195 268 D C 1.723 178.044 176.300 0.035 0.000 0.989 268 D CA 1.194 55.271 54.000 0.128 0.000 0.827 268 D CB -0.178 40.700 40.800 0.129 0.000 0.966 268 D HN 0.523 nan 8.370 nan 0.000 0.456 269 Q N 0.547 120.343 119.800 -0.007 0.000 2.319 269 Q HA -0.001 4.344 4.340 0.009 0.000 0.217 269 Q C -0.465 175.343 176.000 -0.321 0.000 0.924 269 Q CA 0.492 56.220 55.803 -0.124 0.000 0.964 269 Q CB -0.293 28.359 28.738 -0.142 0.000 1.025 269 Q HN 0.321 nan 8.270 nan 0.000 0.465 270 H N -0.378 118.539 119.070 -0.255 0.000 2.949 270 H HA 0.258 4.819 4.556 0.009 0.000 0.356 270 H C -0.309 174.933 175.328 -0.143 0.000 1.212 270 H CA -0.823 55.066 56.048 -0.265 0.000 1.136 270 H CB 1.335 30.854 29.762 -0.405 0.000 1.869 270 H HN 0.296 nan 8.280 nan 0.000 0.556 271 E N 0.521 120.733 120.200 0.021 0.000 3.552 271 E HA 0.249 4.604 4.350 0.009 0.000 0.264 271 E C -0.572 176.051 176.600 0.037 0.000 1.170 271 E CA -0.770 55.642 56.400 0.021 0.000 1.313 271 E CB 0.522 30.228 29.700 0.009 0.000 1.522 271 E HN 0.418 nan 8.360 nan 0.000 0.653 272 N N -0.176 118.545 118.700 0.037 0.000 2.381 272 N HA 0.063 4.808 4.740 0.009 0.000 0.254 272 N C -0.737 174.792 175.510 0.031 0.000 1.264 272 N CA 0.122 53.196 53.050 0.040 0.000 0.942 272 N CB 0.483 38.989 38.487 0.031 0.000 1.190 272 N HN 0.443 nan 8.380 nan 0.000 0.495 273 S N -1.047 114.667 115.700 0.023 0.000 3.229 273 S HA -0.185 4.290 4.470 0.009 0.000 0.327 273 S C 0.633 175.236 174.600 0.005 0.000 0.828 273 S CA 0.902 59.105 58.200 0.007 0.000 1.288 273 S CB -1.567 61.637 63.200 0.006 0.000 0.835 273 S HN 0.699 nan 8.310 nan 0.000 0.443 274 S N -2.659 113.048 115.700 0.012 0.000 2.631 274 S HA 0.328 4.804 4.470 0.009 0.000 0.246 274 S C 0.389 175.020 174.600 0.050 0.000 1.068 274 S CA -0.162 58.073 58.200 0.058 0.000 0.995 274 S CB 0.376 63.631 63.200 0.093 0.000 0.944 274 S HN 0.288 nan 8.310 nan 0.000 0.529 275 V N 2.326 122.233 119.914 -0.012 0.000 2.716 275 V HA 0.535 4.660 4.120 0.009 0.000 0.304 275 V C -0.294 175.836 176.094 0.060 0.000 1.053 275 V CA -0.720 61.586 62.300 0.009 0.000 0.984 275 V CB 1.741 33.503 31.823 -0.101 0.000 1.021 275 V HN 0.272 nan 8.190 nan 0.000 0.467 276 V N 3.884 123.902 119.914 0.174 0.000 2.334 276 V HA 0.296 4.422 4.120 0.009 0.000 0.281 276 V C -0.626 175.618 176.094 0.250 0.000 1.016 276 V CA -0.584 61.813 62.300 0.161 0.000 0.832 276 V CB 0.912 32.829 31.823 0.156 0.000 0.999 276 V HN 0.765 nan 8.190 nan 0.000 0.439 277 Y N 6.178 126.524 120.300 0.078 0.000 2.304 277 Y HA 0.675 5.231 4.550 0.009 0.000 0.328 277 Y C -0.171 175.790 175.900 0.102 0.000 1.123 277 Y CA -0.448 57.692 58.100 0.067 0.000 1.218 277 Y CB 1.012 39.417 38.460 -0.092 0.000 1.207 277 Y HN 0.521 nan 8.280 nan 0.000 0.495 278 I N 5.377 125.526 120.570 -0.702 0.000 2.466 278 I HA 0.382 4.557 4.170 0.009 0.000 0.289 278 I C -0.794 174.812 176.117 -0.852 0.000 1.026 278 I CA -0.494 60.382 61.300 -0.706 0.000 1.078 278 I CB 1.900 39.496 38.000 -0.673 0.000 1.249 278 I HN 0.513 nan 8.210 nan 0.000 0.429 279 S N 4.914 120.155 115.700 -0.764 0.000 2.584 279 S HA 0.529 5.005 4.470 0.009 0.000 0.280 279 S C -0.901 173.367 174.600 -0.554 0.000 1.162 279 S CA -0.369 57.565 58.200 -0.444 0.000 0.951 279 S CB 0.690 63.810 63.200 -0.133 0.000 1.108 279 S HN 0.435 nan 8.310 nan 0.000 0.464 280 F N 3.167 123.053 119.950 -0.107 0.000 2.791 280 F HA 0.574 5.107 4.527 0.009 0.000 0.308 280 F C 1.248 176.572 175.800 -0.792 0.000 1.138 280 F CA 0.451 58.264 58.000 -0.311 0.000 1.294 280 F CB 0.832 39.729 39.000 -0.172 0.000 0.975 280 F HN 0.997 nan 8.300 nan 0.000 0.512 281 G N 0.480 109.056 108.800 -0.372 0.000 2.655 281 G HA2 -0.165 3.800 3.960 0.009 0.000 0.680 281 G HA3 -0.165 3.800 3.960 0.009 0.000 0.680 281 G C 0.656 175.623 174.900 0.111 0.000 1.302 281 G CA -0.322 44.652 45.100 -0.209 0.000 0.872 281 G HN 0.392 nan 8.290 nan 0.000 0.540 282 S N -1.403 114.455 115.700 0.263 0.000 2.607 282 S HA 0.214 4.689 4.470 0.009 0.000 0.224 282 S C 1.899 176.617 174.600 0.195 0.000 0.969 282 S CA 2.410 60.808 58.200 0.330 0.000 0.927 282 S CB 0.131 63.533 63.200 0.337 0.000 0.772 282 S HN 2.212 nan 8.310 nan 0.000 0.533 283 V N -3.096 116.909 119.914 0.152 0.000 3.368 283 V HA 0.469 4.595 4.120 0.009 0.000 0.255 283 V C 0.533 176.627 176.094 0.001 0.000 1.466 283 V CA -0.282 62.073 62.300 0.092 0.000 1.095 283 V CB -0.174 31.725 31.823 0.126 0.000 0.899 283 V HN 0.233 nan 8.190 nan 0.000 0.440 284 V N 3.010 122.888 119.914 -0.061 0.000 3.003 284 V HA 0.630 4.756 4.120 0.009 0.000 0.305 284 V C 0.433 176.362 176.094 -0.275 0.000 1.078 284 V CA 0.940 63.066 62.300 -0.290 0.000 1.083 284 V CB 1.133 32.556 31.823 -0.667 0.000 1.039 284 V HN 0.827 nan 8.190 nan 0.000 0.481 285 T N 1.345 115.681 114.554 -0.363 0.000 3.548 285 T HA 0.391 4.746 4.350 0.009 0.000 0.329 285 T C -2.808 171.769 174.700 -0.206 0.000 0.960 285 T CA -1.299 60.642 62.100 -0.265 0.000 1.041 285 T CB 1.237 69.969 68.868 -0.228 0.000 1.065 285 T HN 0.421 nan 8.240 nan 0.000 0.459 286 P HA 0.171 nan 4.420 nan 0.000 0.268 286 P C -2.402 174.944 177.300 0.077 0.000 1.189 286 P CA -0.496 62.627 63.100 0.037 0.000 0.771 286 P CB -0.310 31.365 31.700 -0.043 0.000 0.822 287 P HA 0.041 nan 4.420 nan 0.000 0.271 287 P C -1.799 175.578 177.300 0.129 0.000 1.233 287 P CA -0.898 62.265 63.100 0.105 0.000 0.789 287 P CB -0.548 31.205 31.700 0.088 0.000 0.951 288 P HA -0.249 nan 4.420 nan 0.000 0.216 288 P C 1.044 178.445 177.300 0.168 0.000 1.167 288 P CA 1.865 65.064 63.100 0.165 0.000 0.914 288 P CB -0.332 31.477 31.700 0.182 0.000 0.793 289 H N -0.931 118.158 119.070 0.031 0.000 2.489 289 H HA -0.090 4.472 4.556 0.010 0.000 0.295 289 H C 1.859 177.192 175.328 0.008 0.000 1.082 289 H CA 1.177 57.234 56.048 0.015 0.000 1.295 289 H CB -0.439 29.326 29.762 0.005 0.000 1.380 289 H HN 0.364 nan 8.280 nan 0.000 0.548 290 E N 0.005 120.284 120.200 0.130 0.000 2.030 290 E HA -0.063 4.293 4.350 0.009 0.000 0.189 290 E C 2.262 178.897 176.600 0.059 0.000 0.974 290 E CA 0.514 56.948 56.400 0.056 0.000 0.807 290 E CB -0.138 29.575 29.700 0.021 0.000 0.771 290 E HN 0.337 nan 8.360 nan 0.000 0.451 291 L N 1.422 122.723 121.223 0.131 0.000 1.990 291 L HA -0.233 4.112 4.340 0.009 0.000 0.213 291 L C 3.030 179.986 176.870 0.143 0.000 1.072 291 L CA 2.033 57.024 54.840 0.253 0.000 0.755 291 L CB -1.310 40.976 42.059 0.379 0.000 0.889 291 L HN 0.335 nan 8.230 nan 0.000 0.432 292 T N -2.512 112.079 114.554 0.062 0.000 2.803 292 T HA -0.155 4.201 4.350 0.009 0.000 0.269 292 T C 1.823 176.478 174.700 -0.075 0.000 1.052 292 T CA 1.049 63.126 62.100 -0.038 0.000 1.136 292 T CB -0.377 68.455 68.868 -0.061 0.000 0.864 292 T HN 0.365 nan 8.240 nan 0.000 0.467 293 A N 0.838 123.633 122.820 -0.041 0.000 1.968 293 A HA 0.317 4.643 4.320 0.009 0.000 0.217 293 A C 2.232 179.771 177.584 -0.074 0.000 1.169 293 A CA 1.094 53.101 52.037 -0.049 0.000 0.638 293 A CB -0.622 18.366 19.000 -0.021 0.000 0.812 293 A HN 0.476 nan 8.150 nan 0.000 0.446 294 L N -0.414 120.758 121.223 -0.086 0.000 2.034 294 L HA 0.142 4.488 4.340 0.009 0.000 0.203 294 L C 2.665 179.420 176.870 -0.193 0.000 1.074 294 L CA 2.008 56.752 54.840 -0.160 0.000 0.748 294 L CB -0.851 41.052 42.059 -0.260 0.000 0.905 294 L HN 0.288 nan 8.230 nan 0.000 0.439 295 A N -0.421 122.283 122.820 -0.194 0.000 1.903 295 A HA -0.307 4.018 4.320 0.009 0.000 0.219 295 A C 2.152 179.432 177.584 -0.507 0.000 1.191 295 A CA 2.381 54.072 52.037 -0.577 0.000 0.638 295 A CB -0.811 17.524 19.000 -1.107 0.000 0.823 295 A HN 0.677 nan 8.150 nan 0.000 0.451 296 E N -0.582 119.440 120.200 -0.298 0.000 2.046 296 E HA -0.081 4.275 4.350 0.009 0.000 0.190 296 E C 2.357 178.937 176.600 -0.033 0.000 0.982 296 E CA 1.032 57.358 56.400 -0.123 0.000 0.800 296 E CB -0.197 29.450 29.700 -0.090 0.000 0.756 296 E HN 0.574 nan 8.360 nan 0.000 0.449 297 S N 1.360 117.029 115.700 -0.053 0.000 2.374 297 S HA -0.185 4.291 4.470 0.009 0.000 0.227 297 S C 2.019 176.636 174.600 0.029 0.000 1.037 297 S CA 0.964 59.156 58.200 -0.014 0.000 1.024 297 S CB -0.300 62.877 63.200 -0.039 0.000 0.861 297 S HN 0.165 nan 8.310 nan 0.000 0.456 298 L N 1.218 122.438 121.223 -0.006 0.000 1.943 298 L HA -0.160 4.185 4.340 0.009 0.000 0.215 298 L C 1.729 178.759 176.870 0.267 0.000 1.074 298 L CA 1.491 56.364 54.840 0.055 0.000 0.759 298 L CB -0.765 41.187 42.059 -0.179 0.000 0.888 298 L HN 0.476 nan 8.230 nan 0.000 0.433 299 E N 0.471 120.874 120.200 0.338 0.000 2.467 299 E HA -0.008 4.347 4.350 0.009 0.000 0.321 299 E C 0.081 176.797 176.600 0.192 0.000 1.388 299 E CA 0.199 56.801 56.400 0.337 0.000 1.508 299 E CB 0.088 30.039 29.700 0.418 0.000 1.250 299 E HN 0.502 nan 8.360 nan 0.000 0.500 300 E N -0.077 120.211 120.200 0.147 0.000 2.318 300 E HA 0.064 4.419 4.350 0.009 0.000 0.180 300 E C 0.237 176.869 176.600 0.053 0.000 0.931 300 E CA -0.022 56.428 56.400 0.082 0.000 1.396 300 E CB 0.004 29.741 29.700 0.061 0.000 2.229 300 E HN 0.507 nan 8.360 nan 0.000 0.855 301 C N -0.108 119.240 119.300 0.079 0.000 3.019 301 C HA 0.404 4.870 4.460 0.009 0.000 0.295 301 C C 1.905 176.828 174.990 -0.112 0.000 1.256 301 C CA 0.562 59.584 59.018 0.007 0.000 1.706 301 C CB 0.061 27.896 27.740 0.158 0.000 2.153 301 C HN 0.747 nan 8.230 nan 0.000 0.618 302 G N 1.012 109.841 108.800 0.049 0.000 2.708 302 G HA2 -0.326 3.640 3.960 0.009 0.000 0.229 302 G HA3 -0.326 3.640 3.960 0.009 0.000 0.229 302 G C 0.254 175.250 174.900 0.160 0.000 1.236 302 G CA 0.159 45.283 45.100 0.041 0.000 0.749 302 G HN 0.479 nan 8.290 nan 0.000 0.515 303 F N 4.606 124.667 119.950 0.184 0.000 2.395 303 F HA 0.104 4.636 4.527 0.008 0.000 0.421 303 F C -0.506 175.468 175.800 0.291 0.000 0.942 303 F CA -0.142 57.978 58.000 0.201 0.000 1.107 303 F CB 0.092 39.206 39.000 0.191 0.000 0.895 303 F HN 0.150 nan 8.300 nan 0.000 0.522 304 P HA 0.118 nan 4.420 nan 0.000 0.269 304 P C -0.869 176.596 177.300 0.275 0.000 1.215 304 P CA 0.166 63.378 63.100 0.186 0.000 0.780 304 P CB 0.829 32.599 31.700 0.116 0.000 0.898 305 F N -0.823 119.353 119.950 0.377 0.000 2.741 305 F HA 0.667 5.201 4.527 0.010 0.000 0.311 305 F C -1.616 174.408 175.800 0.374 0.000 1.149 305 F CA -1.537 56.658 58.000 0.323 0.000 0.930 305 F CB 0.593 39.748 39.000 0.259 0.000 1.312 305 F HN 0.057 nan 8.300 nan 0.000 0.450 306 I N 1.864 122.799 120.570 0.608 0.000 2.466 306 I HA 0.352 4.528 4.170 0.009 0.000 0.289 306 I C -1.867 174.550 176.117 0.500 0.000 1.026 306 I CA -0.487 61.087 61.300 0.458 0.000 1.078 306 I CB 1.990 40.238 38.000 0.414 0.000 1.249 306 I HN 0.718 nan 8.210 nan 0.000 0.429 307 W N 6.163 127.596 121.300 0.221 0.000 2.554 307 W HA 0.449 5.115 4.660 0.011 0.000 0.324 307 W C -0.688 175.880 176.519 0.082 0.000 1.018 307 W CA -1.567 55.835 57.345 0.095 0.000 1.243 307 W CB 1.902 31.463 29.460 0.169 0.000 1.345 307 W HN 0.404 nan 8.180 nan 0.000 0.441 308 S N 6.788 122.748 115.700 0.433 0.000 2.485 308 S HA 0.159 4.634 4.470 0.009 0.000 0.312 308 S C 0.688 175.464 174.600 0.292 0.000 1.102 308 S CA -0.399 57.951 58.200 0.249 0.000 1.066 308 S CB -0.429 62.846 63.200 0.125 0.000 1.102 308 S HN 0.422 nan 8.310 nan 0.000 0.519 309 F N 4.822 124.714 119.950 -0.098 0.000 2.017 309 F HA 0.388 4.920 4.527 0.010 0.000 0.289 309 F C 1.510 177.354 175.800 0.073 0.000 1.233 309 F CA 0.978 58.876 58.000 -0.171 0.000 1.140 309 F CB 0.271 38.993 39.000 -0.463 0.000 0.987 309 F HN 0.550 nan 8.300 nan 0.000 0.489 310 R N -0.580 120.089 120.500 0.281 0.000 2.276 310 R HA 0.236 4.581 4.340 0.009 0.000 0.163 310 R C 0.048 176.505 176.300 0.262 0.000 1.187 310 R CA 0.610 56.828 56.100 0.197 0.000 0.723 310 R CB -0.087 30.209 30.300 -0.008 0.000 1.351 310 R HN 0.772 nan 8.270 nan 0.000 0.403 311 G N 0.211 109.147 108.800 0.226 0.000 4.300 311 G HA2 -0.380 3.585 3.960 0.009 0.000 0.222 311 G HA3 -0.380 3.585 3.960 0.009 0.000 0.222 311 G C -0.177 174.790 174.900 0.112 0.000 1.344 311 G CA 0.620 45.806 45.100 0.143 0.000 1.014 311 G HN 0.486 nan 8.290 nan 0.000 0.641 312 D N 3.411 123.909 120.400 0.164 0.000 2.434 312 D HA 0.315 4.961 4.640 0.009 0.000 0.252 312 D C -0.679 175.539 176.300 -0.137 0.000 1.185 312 D CA 0.022 54.068 54.000 0.076 0.000 0.886 312 D CB 1.944 42.839 40.800 0.158 0.000 1.148 312 D HN 0.328 nan 8.370 nan 0.000 0.483 313 P HA 0.005 nan 4.420 nan 0.000 0.207 313 P C 1.010 178.068 177.300 -0.403 0.000 1.109 313 P CA 0.210 63.076 63.100 -0.390 0.000 0.736 313 P CB 0.398 31.962 31.700 -0.228 0.000 0.912 314 K N -0.075 120.188 120.400 -0.230 0.000 2.281 314 K HA -0.144 4.182 4.320 0.009 0.000 0.203 314 K C 1.630 178.160 176.600 -0.117 0.000 1.046 314 K CA 1.234 57.430 56.287 -0.152 0.000 0.938 314 K CB -0.642 31.805 32.500 -0.088 0.000 0.737 314 K HN 0.027 nan 8.250 nan 0.000 0.458 315 E N 1.501 121.635 120.200 -0.109 0.000 2.136 315 E HA -0.231 4.124 4.350 0.009 0.000 0.208 315 E C 1.446 178.037 176.600 -0.014 0.000 1.035 315 E CA 1.812 58.187 56.400 -0.041 0.000 0.838 315 E CB -0.099 29.595 29.700 -0.009 0.000 0.748 315 E HN 0.403 nan 8.360 nan 0.000 0.459 316 K N -0.635 119.738 120.400 -0.046 0.000 2.344 316 K HA 0.280 4.606 4.320 0.009 0.000 0.200 316 K C 0.923 177.515 176.600 -0.013 0.000 1.132 316 K CA -0.042 56.274 56.287 0.047 0.000 0.935 316 K CB 0.291 32.957 32.500 0.277 0.000 1.089 316 K HN -0.048 nan 8.250 nan 0.000 0.496 317 L N 3.031 124.142 121.223 -0.187 0.000 2.439 317 L HA 0.199 4.544 4.340 0.009 0.000 0.269 317 L C -2.183 174.687 176.870 -0.001 0.000 1.179 317 L CA -1.946 52.830 54.840 -0.107 0.000 0.828 317 L CB 0.500 42.407 42.059 -0.253 0.000 1.106 317 L HN -0.080 nan 8.230 nan 0.000 0.467 318 P HA 0.049 nan 4.420 nan 0.000 0.271 318 P C -0.149 177.221 177.300 0.116 0.000 1.216 318 P CA -0.213 62.947 63.100 0.099 0.000 0.771 318 P CB 0.898 32.667 31.700 0.115 0.000 0.864 319 K N 3.597 124.029 120.400 0.054 0.000 1.987 319 K HA -0.163 4.162 4.320 0.009 0.000 0.216 319 K C 2.187 178.814 176.600 0.044 0.000 1.051 319 K CA 2.435 58.737 56.287 0.025 0.000 0.942 319 K CB -1.317 31.190 32.500 0.011 0.000 0.722 319 K HN 0.580 nan 8.250 nan 0.000 0.444 320 G N 0.426 109.266 108.800 0.066 0.000 2.599 320 G HA2 -0.354 3.612 3.960 0.009 0.000 0.219 320 G HA3 -0.354 3.612 3.960 0.009 0.000 0.219 320 G C 1.472 176.437 174.900 0.108 0.000 1.193 320 G CA 1.246 46.391 45.100 0.075 0.000 0.778 320 G HN 0.433 nan 8.290 nan 0.000 0.589 321 F N 1.692 121.656 119.950 0.023 0.000 2.111 321 F HA -0.189 4.344 4.527 0.010 0.000 0.300 321 F C 2.470 178.297 175.800 0.046 0.000 1.088 321 F CA 1.740 59.770 58.000 0.051 0.000 1.243 321 F CB -0.499 38.536 39.000 0.059 0.000 0.996 321 F HN 0.120 nan 8.300 nan 0.000 0.483 322 L N -0.199 120.912 121.223 -0.188 0.000 1.971 322 L HA -0.244 4.101 4.340 0.009 0.000 0.215 322 L C 1.923 178.636 176.870 -0.262 0.000 1.072 322 L CA 1.968 56.620 54.840 -0.314 0.000 0.758 322 L CB -0.832 41.134 42.059 -0.156 0.000 0.889 322 L HN 0.054 nan 8.230 nan 0.000 0.433 323 E N -1.034 119.082 120.200 -0.140 0.000 2.437 323 E HA -0.018 4.337 4.350 0.009 0.000 0.189 323 E C 1.636 178.195 176.600 -0.068 0.000 1.054 323 E CA 0.066 56.407 56.400 -0.098 0.000 0.874 323 E CB 0.176 29.841 29.700 -0.059 0.000 1.011 323 E HN 0.254 nan 8.360 nan 0.000 0.474 324 R N -0.205 120.250 120.500 -0.075 0.000 2.225 324 R HA 0.023 4.369 4.340 0.009 0.000 0.194 324 R C 1.215 177.509 176.300 -0.011 0.000 0.957 324 R CA 1.333 57.427 56.100 -0.009 0.000 1.042 324 R CB 0.313 30.649 30.300 0.060 0.000 1.004 324 R HN 0.188 nan 8.270 nan 0.000 0.509 325 T N -2.366 112.130 114.554 -0.097 0.000 3.069 325 T HA 0.164 4.520 4.350 0.009 0.000 0.252 325 T C 1.153 175.798 174.700 -0.092 0.000 1.053 325 T CA -0.257 61.818 62.100 -0.041 0.000 0.964 325 T CB 0.213 69.085 68.868 0.006 0.000 1.005 325 T HN 0.067 nan 8.240 nan 0.000 0.532 326 K N 1.397 121.726 120.400 -0.118 0.000 2.687 326 K HA 0.012 4.337 4.320 0.009 0.000 0.197 326 K C 0.513 177.085 176.600 -0.047 0.000 1.018 326 K CA 0.656 56.874 56.287 -0.116 0.000 1.035 326 K CB -0.218 32.217 32.500 -0.110 0.000 0.834 326 K HN 0.314 nan 8.250 nan 0.000 0.496 327 T N -1.282 113.271 114.554 -0.000 0.000 2.993 327 T HA 0.083 4.438 4.350 0.009 0.000 0.260 327 T C 0.947 175.730 174.700 0.138 0.000 0.939 327 T CA -0.106 62.038 62.100 0.074 0.000 0.886 327 T CB 0.334 69.231 68.868 0.047 0.000 1.209 327 T HN -0.009 nan 8.240 nan 0.000 0.518 328 K N 1.133 121.578 120.400 0.075 0.000 2.438 328 K HA 0.496 4.821 4.320 0.009 0.000 0.206 328 K C 0.325 176.857 176.600 -0.112 0.000 1.081 328 K CA -0.069 56.263 56.287 0.076 0.000 1.053 328 K CB 0.951 33.485 32.500 0.058 0.000 0.908 328 K HN 0.317 nan 8.250 nan 0.000 0.556 329 G N -0.388 108.226 108.800 -0.310 0.000 2.623 329 G HA2 0.469 4.434 3.960 0.009 0.000 0.290 329 G HA3 0.469 4.434 3.960 0.009 0.000 0.290 329 G C -1.633 172.931 174.900 -0.559 0.000 1.437 329 G CA -0.750 43.803 45.100 -0.912 0.000 0.798 329 G HN -0.021 nan 8.290 nan 0.000 0.488 330 K N -0.412 119.706 120.400 -0.471 0.000 2.385 330 K HA 0.719 5.044 4.320 0.009 0.000 0.248 330 K C -1.146 175.444 176.600 -0.017 0.000 0.955 330 K CA -0.804 55.236 56.287 -0.412 0.000 0.816 330 K CB 2.856 34.894 32.500 -0.770 0.000 1.250 330 K HN 0.335 nan 8.250 nan 0.000 0.434 331 I N 2.475 122.974 120.570 -0.118 0.000 2.497 331 I HA 0.221 4.396 4.170 0.009 0.000 0.284 331 I C -0.650 175.348 176.117 -0.198 0.000 1.060 331 I CA -1.004 60.242 61.300 -0.089 0.000 1.071 331 I CB 1.793 39.683 38.000 -0.183 0.000 1.216 331 I HN 0.328 nan 8.210 nan 0.000 0.442 332 V N 2.284 122.126 119.914 -0.121 0.000 3.046 332 V HA 0.786 4.911 4.120 0.009 0.000 0.316 332 V C 0.703 176.813 176.094 0.026 0.000 1.104 332 V CA -0.298 61.904 62.300 -0.164 0.000 1.006 332 V CB 1.762 33.496 31.823 -0.149 0.000 1.058 332 V HN 0.717 nan 8.190 nan 0.000 0.440 333 A N 1.235 124.107 122.820 0.088 0.000 1.930 333 A HA 0.210 4.535 4.320 0.009 0.000 0.215 333 A C 0.710 178.542 177.584 0.414 0.000 1.176 333 A CA 0.836 53.005 52.037 0.219 0.000 0.632 333 A CB -0.079 19.035 19.000 0.189 0.000 0.819 333 A HN 1.030 nan 8.150 nan 0.000 0.445 334 W N -1.315 120.053 121.300 0.114 0.000 3.405 334 W HA 0.539 5.204 4.660 0.008 0.000 0.329 334 W C -1.128 175.482 176.519 0.152 0.000 1.142 334 W CA -0.579 56.841 57.345 0.126 0.000 1.235 334 W CB 1.573 31.094 29.460 0.102 0.000 1.341 334 W HN 0.255 nan 8.180 nan 0.000 0.481 335 A N 5.820 128.477 122.820 -0.270 0.000 2.313 335 A HA 0.802 5.128 4.320 0.009 0.000 0.323 335 A C -2.479 174.921 177.584 -0.307 0.000 1.133 335 A CA -1.211 50.736 52.037 -0.150 0.000 0.847 335 A CB 1.601 20.604 19.000 0.006 0.000 1.308 335 A HN 0.296 nan 8.150 nan 0.000 0.475 336 P HA 0.151 nan 4.420 nan 0.000 0.214 336 P C 0.121 177.266 177.300 -0.258 0.000 1.849 336 P CA -0.103 62.897 63.100 -0.166 0.000 1.022 336 P CB 0.734 32.388 31.700 -0.077 0.000 1.912 337 Q N 1.045 120.635 119.800 -0.350 0.000 2.096 337 Q HA -0.179 4.166 4.340 0.009 0.000 0.208 337 Q C 1.741 177.504 176.000 -0.394 0.000 0.993 337 Q CA 2.105 57.621 55.803 -0.478 0.000 0.862 337 Q CB -0.306 28.237 28.738 -0.326 0.000 0.915 337 Q HN 0.210 nan 8.270 nan 0.000 0.416 338 V N 0.220 119.995 119.914 -0.231 0.000 2.295 338 V HA -0.264 3.861 4.120 0.009 0.000 0.246 338 V C 1.571 177.569 176.094 -0.161 0.000 1.049 338 V CA 2.476 64.676 62.300 -0.167 0.000 1.024 338 V CB -0.342 31.428 31.823 -0.089 0.000 0.648 338 V HN 0.400 nan 8.190 nan 0.000 0.447 339 E N 0.587 120.702 120.200 -0.141 0.000 2.051 339 E HA -0.111 4.244 4.350 0.009 0.000 0.192 339 E C 2.005 178.533 176.600 -0.119 0.000 0.991 339 E CA 2.024 58.364 56.400 -0.100 0.000 0.799 339 E CB -0.523 29.137 29.700 -0.066 0.000 0.748 339 E HN 0.708 nan 8.360 nan 0.000 0.449 340 I N 0.415 120.857 120.570 -0.213 0.000 2.194 340 I HA -0.299 3.876 4.170 0.009 0.000 0.246 340 I C 2.041 177.998 176.117 -0.268 0.000 1.093 340 I CA 1.102 62.241 61.300 -0.268 0.000 1.355 340 I CB -0.226 37.441 38.000 -0.555 0.000 1.046 340 I HN 0.098 nan 8.210 nan 0.000 0.413 341 L N 0.108 121.117 121.223 -0.357 0.000 2.362 341 L HA -0.159 4.186 4.340 0.009 0.000 0.219 341 L C 2.065 178.859 176.870 -0.127 0.000 1.134 341 L CA 1.122 55.791 54.840 -0.286 0.000 0.807 341 L CB -0.324 41.531 42.059 -0.340 0.000 0.927 341 L HN 0.184 nan 8.230 nan 0.000 0.447 342 K N -1.905 118.442 120.400 -0.089 0.000 2.393 342 K HA 0.030 4.356 4.320 0.009 0.000 0.193 342 K C 0.483 177.062 176.600 -0.035 0.000 1.026 342 K CA -0.150 56.110 56.287 -0.044 0.000 1.064 342 K CB 0.169 32.646 32.500 -0.039 0.000 0.833 342 K HN 0.132 nan 8.250 nan 0.000 0.521 343 H N 0.840 119.855 119.070 -0.091 0.000 2.683 343 H HA 0.026 4.587 4.556 0.009 0.000 0.339 343 H C 0.999 176.292 175.328 -0.058 0.000 1.081 343 H CA 0.081 56.087 56.048 -0.070 0.000 1.432 343 H CB 1.398 31.114 29.762 -0.077 0.000 1.462 343 H HN 0.081 nan 8.280 nan 0.000 0.557 344 S N 2.104 117.901 115.700 0.163 0.000 2.474 344 S HA -0.114 4.361 4.470 0.009 0.000 0.235 344 S C 1.945 176.670 174.600 0.208 0.000 0.997 344 S CA 0.924 59.209 58.200 0.141 0.000 0.949 344 S CB 0.062 63.286 63.200 0.041 0.000 0.766 344 S HN 0.475 nan 8.310 nan 0.000 0.517 345 S N 1.267 117.193 115.700 0.378 0.000 2.345 345 S HA 0.071 4.547 4.470 0.009 0.000 0.220 345 S C 0.820 175.400 174.600 -0.034 0.000 1.031 345 S CA 0.666 58.871 58.200 0.008 0.000 0.996 345 S CB -0.523 62.448 63.200 -0.383 0.000 0.882 345 S HN 0.467 nan 8.310 nan 0.000 0.445 346 V N 1.719 121.607 119.914 -0.044 0.000 2.644 346 V HA 0.172 4.297 4.120 0.009 0.000 0.305 346 V C 1.478 177.570 176.094 -0.004 0.000 1.053 346 V CA 0.765 63.050 62.300 -0.026 0.000 1.186 346 V CB 0.698 32.501 31.823 -0.034 0.000 0.895 346 V HN 0.520 nan 8.190 nan 0.000 0.490 347 G N 3.148 111.940 108.800 -0.014 0.000 2.781 347 G HA2 0.361 4.326 3.960 0.009 0.000 0.208 347 G HA3 0.361 4.326 3.960 0.009 0.000 0.208 347 G C -0.014 174.872 174.900 -0.023 0.000 1.099 347 G CA 0.516 45.599 45.100 -0.028 0.000 0.776 347 G HN 0.605 nan 8.290 nan 0.000 0.532 348 V N 0.151 120.066 119.914 0.001 0.000 3.048 348 V HA 0.678 4.803 4.120 0.009 0.000 0.303 348 V C -2.151 174.040 176.094 0.163 0.000 1.214 348 V CA -1.051 61.273 62.300 0.039 0.000 0.984 348 V CB 2.435 34.230 31.823 -0.046 0.000 1.054 348 V HN 0.079 nan 8.190 nan 0.000 0.430 349 F N 7.196 127.139 119.950 -0.012 0.000 2.347 349 F HA 0.608 5.142 4.527 0.012 0.000 0.366 349 F C -0.723 175.028 175.800 -0.081 0.000 1.107 349 F CA -1.663 56.340 58.000 0.005 0.000 1.058 349 F CB 1.429 40.462 39.000 0.054 0.000 1.236 349 F HN 0.438 nan 8.300 nan 0.000 0.456 350 L N 6.758 127.988 121.223 0.010 0.000 2.363 350 L HA 0.432 4.778 4.340 0.009 0.000 0.286 350 L C -0.225 176.244 176.870 -0.669 0.000 1.106 350 L CA 0.623 55.287 54.840 -0.294 0.000 0.859 350 L CB 0.169 42.053 42.059 -0.292 0.000 1.223 350 L HN 0.706 nan 8.230 nan 0.000 0.446 351 T N 2.341 116.457 114.554 -0.730 0.000 2.887 351 T HA 0.356 4.711 4.350 0.009 0.000 0.292 351 T C 0.556 175.224 174.700 -0.054 0.000 1.087 351 T CA -0.287 61.369 62.100 -0.741 0.000 1.009 351 T CB 0.748 68.752 68.868 -1.439 0.000 1.203 351 T HN 0.717 nan 8.240 nan 0.000 0.518 352 H N 0.876 119.970 119.070 0.041 0.000 2.526 352 H HA 0.343 4.904 4.556 0.009 0.000 0.274 352 H C 0.707 176.063 175.328 0.046 0.000 0.999 352 H CA 0.418 56.618 56.048 0.253 0.000 1.157 352 H CB -0.607 29.430 29.762 0.458 0.000 1.407 352 H HN 0.558 nan 8.280 nan 0.000 0.568 353 S N -0.368 115.194 115.700 -0.230 0.000 3.587 353 S HA -0.143 4.333 4.470 0.009 0.000 0.337 353 S C 1.033 175.438 174.600 -0.325 0.000 1.119 353 S CA 0.577 58.630 58.200 -0.245 0.000 0.976 353 S CB -1.697 61.441 63.200 -0.104 0.000 0.922 353 S HN 1.075 nan 8.310 nan 0.000 0.503 354 G N 0.016 108.397 108.800 -0.698 0.000 2.554 354 G HA2 0.177 4.142 3.960 0.009 0.000 0.238 354 G HA3 0.177 4.142 3.960 0.009 0.000 0.238 354 G C 0.665 175.574 174.900 0.015 0.000 1.259 354 G CA 0.095 44.980 45.100 -0.360 0.000 0.843 354 G HN 0.517 nan 8.290 nan 0.000 0.582 355 W N 1.801 123.061 121.300 -0.066 0.000 2.335 355 W HA -0.200 4.464 4.660 0.007 0.000 0.311 355 W C 2.069 178.596 176.519 0.012 0.000 1.213 355 W CA 1.492 58.824 57.345 -0.022 0.000 1.274 355 W CB 0.033 29.452 29.460 -0.069 0.000 1.148 355 W HN 0.782 nan 8.180 nan 0.000 0.498 356 N N 0.132 118.847 118.700 0.025 0.000 2.043 356 N HA -0.208 4.537 4.740 0.009 0.000 0.193 356 N C 1.839 177.330 175.510 -0.031 0.000 1.037 356 N CA 2.718 55.751 53.050 -0.028 0.000 0.851 356 N CB -0.923 37.617 38.487 0.088 0.000 1.027 356 N HN -0.132 nan 8.380 nan 0.000 0.422 357 S N -0.155 115.600 115.700 0.091 0.000 2.400 357 S HA -0.082 4.393 4.470 0.009 0.000 0.232 357 S C 2.081 176.768 174.600 0.146 0.000 1.025 357 S CA 0.666 58.998 58.200 0.219 0.000 0.993 357 S CB -0.253 63.191 63.200 0.407 0.000 0.808 357 S HN 0.111 nan 8.310 nan 0.000 0.478 358 V N 1.978 121.850 119.914 -0.070 0.000 2.307 358 V HA -0.136 3.989 4.120 0.009 0.000 0.245 358 V C 2.159 178.083 176.094 -0.283 0.000 1.045 358 V CA 1.495 63.679 62.300 -0.193 0.000 1.024 358 V CB -0.677 30.927 31.823 -0.366 0.000 0.651 358 V HN 0.430 nan 8.190 nan 0.000 0.449 359 L N -0.272 120.660 121.223 -0.485 0.000 2.079 359 L HA -0.220 4.125 4.340 0.009 0.000 0.210 359 L C 2.534 179.318 176.870 -0.142 0.000 1.081 359 L CA 1.696 56.334 54.840 -0.337 0.000 0.752 359 L CB -0.638 41.208 42.059 -0.355 0.000 0.896 359 L HN 0.413 nan 8.230 nan 0.000 0.433 360 E N -1.105 119.035 120.200 -0.100 0.000 2.204 360 E HA -0.230 4.126 4.350 0.009 0.000 0.194 360 E C 2.265 178.838 176.600 -0.045 0.000 0.989 360 E CA 1.278 57.641 56.400 -0.062 0.000 0.824 360 E CB -0.170 29.501 29.700 -0.049 0.000 0.756 360 E HN 0.526 nan 8.360 nan 0.000 0.477 361 C N 0.326 119.633 119.300 0.012 0.000 2.467 361 C HA 0.054 4.519 4.460 0.009 0.000 0.279 361 C C 2.435 177.447 174.990 0.036 0.000 1.347 361 C CA 0.042 59.095 59.018 0.059 0.000 1.748 361 C CB -0.726 27.155 27.740 0.235 0.000 1.977 361 C HN 0.357 nan 8.230 nan 0.000 0.501 362 I N 0.598 121.177 120.570 0.015 0.000 2.226 362 I HA -0.137 4.038 4.170 0.009 0.000 0.245 362 I C 2.422 178.561 176.117 0.037 0.000 1.100 362 I CA 1.408 62.733 61.300 0.042 0.000 1.374 362 I CB -0.359 37.688 38.000 0.080 0.000 1.057 362 I HN 0.156 nan 8.210 nan 0.000 0.413 363 V N 0.774 120.681 119.914 -0.012 0.000 2.667 363 V HA -0.135 3.990 4.120 0.009 0.000 0.252 363 V C 2.388 178.533 176.094 0.086 0.000 1.065 363 V CA 1.949 64.242 62.300 -0.011 0.000 1.083 363 V CB -0.874 30.869 31.823 -0.133 0.000 0.692 363 V HN 0.567 nan 8.190 nan 0.000 0.468 364 G N -0.754 108.064 108.800 0.030 0.000 2.551 364 G HA2 0.273 4.239 3.960 0.009 0.000 0.216 364 G HA3 0.273 4.239 3.960 0.009 0.000 0.216 364 G C 1.251 176.170 174.900 0.031 0.000 1.137 364 G CA 0.694 45.806 45.100 0.019 0.000 0.798 364 G HN 0.978 nan 8.290 nan 0.000 0.536 365 G N -1.024 107.802 108.800 0.043 0.000 2.182 365 G HA2 -0.154 3.811 3.960 0.009 0.000 0.248 365 G HA3 -0.154 3.811 3.960 0.009 0.000 0.248 365 G C -0.025 174.895 174.900 0.035 0.000 1.042 365 G CA 0.102 45.228 45.100 0.044 0.000 0.775 365 G HN 0.814 nan 8.290 nan 0.000 0.501 366 V N 0.119 120.057 119.914 0.041 0.000 2.547 366 V HA 0.567 4.693 4.120 0.009 0.000 0.299 366 V C -1.540 174.599 176.094 0.075 0.000 1.040 366 V CA -1.953 60.376 62.300 0.049 0.000 0.913 366 V CB 1.973 33.822 31.823 0.044 0.000 0.992 366 V HN 0.099 nan 8.190 nan 0.000 0.449 367 P HA 0.350 nan 4.420 nan 0.000 0.272 367 P C -0.673 176.675 177.300 0.081 0.000 1.240 367 P CA -0.153 62.977 63.100 0.050 0.000 0.791 367 P CB 0.487 32.200 31.700 0.022 0.000 0.978 368 M N 1.172 120.798 119.600 0.043 0.000 2.530 368 M HA 0.465 4.950 4.480 0.009 0.000 0.307 368 M C -0.642 175.633 176.300 -0.041 0.000 1.161 368 M CA -0.480 54.828 55.300 0.013 0.000 0.903 368 M CB 2.087 34.673 32.600 -0.023 0.000 1.711 368 M HN 0.119 nan 8.290 nan 0.000 0.451 369 I N 1.164 121.683 120.570 -0.086 0.000 2.382 369 I HA 0.311 4.486 4.170 0.009 0.000 0.286 369 I C -0.456 175.592 176.117 -0.115 0.000 1.002 369 I CA -0.372 60.879 61.300 -0.082 0.000 1.135 369 I CB 1.859 39.816 38.000 -0.070 0.000 1.288 369 I HN 0.553 nan 8.210 nan 0.000 0.448 370 S N 6.589 122.243 115.700 -0.077 0.000 2.449 370 S HA 0.451 4.926 4.470 0.009 0.000 0.310 370 S C -0.363 174.217 174.600 -0.033 0.000 1.096 370 S CA -0.654 57.508 58.200 -0.062 0.000 1.095 370 S CB 0.874 64.035 63.200 -0.065 0.000 1.007 370 S HN 0.547 nan 8.310 nan 0.000 0.474 371 R N 5.764 126.273 120.500 0.015 0.000 2.587 371 R HA 0.353 4.699 4.340 0.009 0.000 0.283 371 R C -2.909 173.291 176.300 -0.166 0.000 1.472 371 R CA -2.227 53.813 56.100 -0.100 0.000 1.578 371 R CB 0.766 31.002 30.300 -0.106 0.000 1.130 371 R HN 0.484 nan 8.270 nan 0.000 0.602 372 P HA 0.045 nan 4.420 nan 0.000 0.269 372 P C -0.164 176.989 177.300 -0.245 0.000 1.209 372 P CA 0.004 63.042 63.100 -0.104 0.000 0.776 372 P CB 0.630 32.291 31.700 -0.065 0.000 0.876 373 F N 1.462 121.374 119.950 -0.063 0.000 2.480 373 F HA 0.255 4.790 4.527 0.014 0.000 0.258 373 F C 1.229 177.065 175.800 0.061 0.000 0.941 373 F CA 0.806 58.804 58.000 -0.003 0.000 1.085 373 F CB -0.315 38.719 39.000 0.057 0.000 1.222 373 F HN 0.260 nan 8.300 nan 0.000 0.724 374 F N -1.038 119.090 119.950 0.296 0.000 2.661 374 F HA 0.800 5.332 4.527 0.008 0.000 0.347 374 F C 0.820 176.698 175.800 0.131 0.000 1.086 374 F CA -1.169 56.922 58.000 0.152 0.000 1.016 374 F CB 0.161 39.220 39.000 0.099 0.000 1.368 374 F HN 0.403 nan 8.300 nan 0.000 0.505 375 G N 1.180 110.221 108.800 0.402 0.000 2.651 375 G HA2 -0.393 3.572 3.960 0.009 0.000 0.315 375 G HA3 -0.393 3.572 3.960 0.009 0.000 0.315 375 G C 0.508 175.525 174.900 0.195 0.000 1.258 375 G CA 0.824 46.109 45.100 0.308 0.000 1.002 375 G HN 1.310 nan 8.290 nan 0.000 0.551 376 D N 0.851 121.367 120.400 0.193 0.000 2.349 376 D HA 0.034 4.679 4.640 0.009 0.000 0.224 376 D C 2.066 178.426 176.300 0.100 0.000 1.029 376 D CA 1.218 55.304 54.000 0.143 0.000 0.879 376 D CB -0.381 40.511 40.800 0.153 0.000 0.906 376 D HN 0.725 nan 8.370 nan 0.000 0.528 377 Q N 0.649 120.463 119.800 0.022 0.000 2.152 377 Q HA -0.090 4.255 4.340 0.009 0.000 0.206 377 Q C 2.267 178.292 176.000 0.042 0.000 0.985 377 Q CA 1.906 57.694 55.803 -0.026 0.000 0.863 377 Q CB -0.394 28.255 28.738 -0.149 0.000 0.904 377 Q HN 0.497 nan 8.270 nan 0.000 0.422 378 G N 0.593 109.426 108.800 0.055 0.000 2.433 378 G HA2 -0.249 3.717 3.960 0.009 0.000 0.216 378 G HA3 -0.249 3.717 3.960 0.009 0.000 0.216 378 G C 1.212 176.194 174.900 0.137 0.000 1.186 378 G CA 0.777 45.919 45.100 0.070 0.000 0.779 378 G HN 0.158 nan 8.290 nan 0.000 0.543 379 L N 1.238 122.571 121.223 0.183 0.000 2.131 379 L HA -0.036 4.310 4.340 0.009 0.000 0.210 379 L C 2.495 179.639 176.870 0.457 0.000 1.092 379 L CA 1.196 56.233 54.840 0.328 0.000 0.759 379 L CB -0.709 41.506 42.059 0.259 0.000 0.903 379 L HN 0.117 nan 8.230 nan 0.000 0.435 380 N N -1.032 117.914 118.700 0.410 0.000 2.120 380 N HA -0.133 4.612 4.740 0.009 0.000 0.188 380 N C 1.821 177.458 175.510 0.211 0.000 1.024 380 N CA 1.684 54.987 53.050 0.421 0.000 0.852 380 N CB -0.550 38.159 38.487 0.370 0.000 1.003 380 N HN 0.314 nan 8.380 nan 0.000 0.424 381 T N 1.573 116.206 114.554 0.131 0.000 2.746 381 T HA 0.022 4.378 4.350 0.009 0.000 0.267 381 T C 2.026 176.748 174.700 0.037 0.000 1.039 381 T CA 0.689 62.821 62.100 0.054 0.000 1.142 381 T CB -0.147 68.734 68.868 0.021 0.000 0.866 381 T HN 0.197 nan 8.240 nan 0.000 0.444 382 I N 0.850 121.463 120.570 0.071 0.000 2.394 382 I HA -0.073 4.102 4.170 0.009 0.000 0.251 382 I C 2.346 178.388 176.117 -0.126 0.000 1.136 382 I CA 0.661 61.954 61.300 -0.011 0.000 1.425 382 I CB -0.299 37.741 38.000 0.068 0.000 1.079 382 I HN 0.220 nan 8.210 nan 0.000 0.425 383 L N 0.983 122.211 121.223 0.008 0.000 2.044 383 L HA -0.156 4.189 4.340 0.009 0.000 0.205 383 L C 2.644 179.481 176.870 -0.055 0.000 1.075 383 L CA 2.586 57.388 54.840 -0.063 0.000 0.747 383 L CB -0.798 41.209 42.059 -0.088 0.000 0.903 383 L HN 0.393 nan 8.230 nan 0.000 0.435 384 T N -4.067 110.487 114.554 -0.000 0.000 3.043 384 T HA -0.136 4.220 4.350 0.009 0.000 0.263 384 T C 1.621 176.301 174.700 -0.033 0.000 1.094 384 T CA 0.932 63.028 62.100 -0.007 0.000 1.127 384 T CB 0.017 68.892 68.868 0.012 0.000 0.905 384 T HN 0.472 nan 8.240 nan 0.000 0.490 385 E N 1.111 121.283 120.200 -0.046 0.000 2.102 385 E HA 0.001 4.356 4.350 0.009 0.000 0.190 385 E C 1.732 178.286 176.600 -0.078 0.000 0.971 385 E CA 0.874 57.242 56.400 -0.053 0.000 0.821 385 E CB 0.183 29.856 29.700 -0.046 0.000 0.777 385 E HN 0.527 nan 8.360 nan 0.000 0.460 386 S N -0.674 114.952 115.700 -0.123 0.000 2.505 386 S HA 0.106 4.581 4.470 0.009 0.000 0.216 386 S C 1.476 175.965 174.600 -0.185 0.000 1.018 386 S CA 0.014 58.122 58.200 -0.154 0.000 0.911 386 S CB 1.225 64.310 63.200 -0.192 0.000 0.818 386 S HN 0.099 nan 8.310 nan 0.000 0.497 387 V N 1.004 120.793 119.914 -0.209 0.000 3.048 387 V HA 0.283 4.408 4.120 0.009 0.000 0.241 387 V C 1.583 177.604 176.094 -0.122 0.000 1.129 387 V CA 0.623 62.806 62.300 -0.194 0.000 1.128 387 V CB -0.128 31.545 31.823 -0.250 0.000 0.849 387 V HN 0.338 nan 8.190 nan 0.000 0.475 388 L N -0.655 120.516 121.223 -0.086 0.000 2.408 388 L HA 0.239 4.584 4.340 0.009 0.000 0.215 388 L C 0.875 177.723 176.870 -0.037 0.000 1.081 388 L CA 0.463 55.274 54.840 -0.049 0.000 0.840 388 L CB -0.091 41.957 42.059 -0.019 0.000 1.002 388 L HN 0.345 nan 8.230 nan 0.000 0.468 389 E N 0.341 120.514 120.200 -0.045 0.000 2.637 389 E HA -0.247 4.109 4.350 0.009 0.000 0.265 389 E C 0.725 177.315 176.600 -0.017 0.000 1.073 389 E CA 0.675 57.054 56.400 -0.035 0.000 0.778 389 E CB -1.703 27.977 29.700 -0.035 0.000 1.362 389 E HN 0.710 nan 8.360 nan 0.000 0.413 390 I N -3.628 116.936 120.570 -0.010 0.000 3.914 390 I HA 0.476 4.651 4.170 0.009 0.000 0.333 390 I C 0.816 176.935 176.117 0.003 0.000 1.449 390 I CA 0.073 61.375 61.300 0.004 0.000 1.135 390 I CB 0.780 38.791 38.000 0.018 0.000 1.073 390 I HN 0.103 nan 8.210 nan 0.000 0.401 391 G N 0.728 109.522 108.800 -0.010 0.000 2.548 391 G HA2 0.623 4.589 3.960 0.009 0.000 0.301 391 G HA3 0.623 4.589 3.960 0.009 0.000 0.301 391 G C -1.358 173.528 174.900 -0.024 0.000 1.349 391 G CA -0.078 45.013 45.100 -0.015 0.000 0.792 391 G HN 0.302 nan 8.290 nan 0.000 0.481 392 V N -2.870 117.027 119.914 -0.029 0.000 3.178 392 V HA 0.971 5.097 4.120 0.009 0.000 0.302 392 V C 0.216 176.289 176.094 -0.036 0.000 1.262 392 V CA -0.338 61.944 62.300 -0.030 0.000 1.030 392 V CB 1.378 33.186 31.823 -0.025 0.000 1.074 392 V HN 1.755 nan 8.190 nan 0.000 0.438 393 G N 0.318 109.097 108.800 -0.035 0.000 2.400 393 G HA2 0.611 4.577 3.960 0.009 0.000 0.333 393 G HA3 0.611 4.577 3.960 0.009 0.000 0.333 393 G C -0.568 174.308 174.900 -0.040 0.000 1.143 393 G CA -0.875 44.201 45.100 -0.040 0.000 0.914 393 G HN 0.928 nan 8.290 nan 0.000 0.480 394 V N 1.260 121.145 119.914 -0.047 0.000 2.963 394 V HA 0.009 4.134 4.120 0.009 0.000 0.306 394 V C 0.396 176.460 176.094 -0.049 0.000 1.077 394 V CA -0.065 62.207 62.300 -0.046 0.000 1.124 394 V CB 0.959 32.749 31.823 -0.056 0.000 0.987 394 V HN 0.758 nan 8.190 nan 0.000 0.487 395 D N 3.940 124.315 120.400 -0.040 0.000 2.455 395 D HA 0.140 4.785 4.640 0.009 0.000 0.241 395 D C 0.807 177.078 176.300 -0.048 0.000 1.138 395 D CA 0.369 54.347 54.000 -0.037 0.000 0.877 395 D CB 0.007 40.791 40.800 -0.027 0.000 1.187 395 D HN 0.637 nan 8.370 nan 0.000 0.451 396 N N 1.786 120.458 118.700 -0.045 0.000 2.900 396 N HA -0.239 4.507 4.740 0.009 0.000 0.240 396 N C 1.172 176.637 175.510 -0.076 0.000 0.953 396 N CA 1.206 54.225 53.050 -0.051 0.000 0.950 396 N CB -1.264 37.196 38.487 -0.046 0.000 1.102 396 N HN 0.846 nan 8.380 nan 0.000 0.593 397 G N -0.891 107.854 108.800 -0.092 0.000 2.155 397 G HA2 -0.267 3.698 3.960 0.009 0.000 0.257 397 G HA3 -0.267 3.698 3.960 0.009 0.000 0.257 397 G C 0.144 174.923 174.900 -0.201 0.000 0.983 397 G CA 1.246 46.262 45.100 -0.140 0.000 0.676 397 G HN 1.288 nan 8.290 nan 0.000 0.528 398 V N -2.606 117.215 119.914 -0.154 0.000 3.046 398 V HA 0.847 4.972 4.120 0.009 0.000 0.316 398 V C 0.485 176.502 176.094 -0.128 0.000 1.104 398 V CA -1.694 60.509 62.300 -0.163 0.000 1.006 398 V CB 2.182 33.941 31.823 -0.108 0.000 1.058 398 V HN 0.253 nan 8.190 nan 0.000 0.440 399 L N 3.310 124.460 121.223 -0.121 0.000 2.287 399 L HA 0.588 4.934 4.340 0.009 0.000 0.280 399 L C 0.189 177.034 176.870 -0.042 0.000 1.055 399 L CA -0.045 54.744 54.840 -0.084 0.000 0.863 399 L CB 1.050 43.048 42.059 -0.102 0.000 1.245 399 L HN 1.040 nan 8.230 nan 0.000 0.432 400 T N -2.100 112.434 114.554 -0.033 0.000 2.887 400 T HA 0.337 4.693 4.350 0.009 0.000 0.288 400 T C 0.879 175.569 174.700 -0.017 0.000 1.021 400 T CA -1.004 61.087 62.100 -0.014 0.000 1.000 400 T CB 2.395 71.260 68.868 -0.006 0.000 1.034 400 T HN 0.353 nan 8.240 nan 0.000 0.467 401 K N 0.743 121.134 120.400 -0.014 0.000 2.127 401 K HA -0.249 4.076 4.320 0.009 0.000 0.208 401 K C 2.001 178.598 176.600 -0.004 0.000 1.047 401 K CA 2.136 58.415 56.287 -0.013 0.000 0.927 401 K CB -0.080 32.413 32.500 -0.011 0.000 0.716 401 K HN 0.886 nan 8.250 nan 0.000 0.450 402 E N 0.804 121.002 120.200 -0.002 0.000 2.047 402 E HA -0.158 4.197 4.350 0.009 0.000 0.191 402 E C 2.013 178.612 176.600 -0.001 0.000 0.987 402 E CA 1.567 57.968 56.400 0.001 0.000 0.799 402 E CB 0.045 29.745 29.700 0.001 0.000 0.752 402 E HN 0.287 nan 8.360 nan 0.000 0.449 403 S N 0.497 116.192 115.700 -0.010 0.000 2.383 403 S HA -0.151 4.325 4.470 0.009 0.000 0.227 403 S C 2.076 176.668 174.600 -0.013 0.000 1.026 403 S CA 0.997 59.188 58.200 -0.015 0.000 0.981 403 S CB -0.575 62.608 63.200 -0.028 0.000 0.818 403 S HN 0.320 nan 8.310 nan 0.000 0.472 404 I N 1.991 122.552 120.570 -0.015 0.000 2.072 404 I HA -0.210 3.965 4.170 0.009 0.000 0.235 404 I C 2.771 178.896 176.117 0.013 0.000 1.058 404 I CA 1.662 62.955 61.300 -0.013 0.000 1.320 404 I CB -0.433 37.551 38.000 -0.026 0.000 1.047 404 I HN 0.277 nan 8.210 nan 0.000 0.397 405 K N 0.798 121.215 120.400 0.029 0.000 2.089 405 K HA -0.298 4.027 4.320 0.009 0.000 0.210 405 K C 2.125 178.760 176.600 0.058 0.000 1.048 405 K CA 1.846 58.170 56.287 0.062 0.000 0.926 405 K CB -0.315 32.217 32.500 0.053 0.000 0.714 405 K HN 0.256 nan 8.250 nan 0.000 0.448 406 K N 0.854 121.273 120.400 0.032 0.000 2.044 406 K HA -0.210 4.115 4.320 0.009 0.000 0.210 406 K C 2.144 178.758 176.600 0.024 0.000 1.049 406 K CA 1.560 57.863 56.287 0.025 0.000 0.927 406 K CB -0.151 32.355 32.500 0.010 0.000 0.713 406 K HN 0.173 nan 8.250 nan 0.000 0.443 407 A N 1.280 124.107 122.820 0.012 0.000 1.855 407 A HA -0.089 4.236 4.320 0.009 0.000 0.215 407 A C 2.182 179.768 177.584 0.003 0.000 1.191 407 A CA 1.294 53.331 52.037 -0.000 0.000 0.613 407 A CB -0.679 18.311 19.000 -0.016 0.000 0.829 407 A HN 0.325 nan 8.150 nan 0.000 0.442 408 L N -0.740 120.493 121.223 0.017 0.000 1.990 408 L HA -0.267 4.078 4.340 0.009 0.000 0.213 408 L C 2.729 179.631 176.870 0.054 0.000 1.072 408 L CA 2.125 56.968 54.840 0.006 0.000 0.755 408 L CB -0.606 41.511 42.059 0.097 0.000 0.889 408 L HN 0.602 nan 8.230 nan 0.000 0.432 409 E N 0.118 120.401 120.200 0.138 0.000 2.118 409 E HA -0.285 4.070 4.350 0.009 0.000 0.195 409 E C 2.199 178.850 176.600 0.085 0.000 0.992 409 E CA 1.320 57.814 56.400 0.157 0.000 0.804 409 E CB -0.019 29.754 29.700 0.122 0.000 0.741 409 E HN 0.272 nan 8.360 nan 0.000 0.458 410 L N 0.635 121.886 121.223 0.046 0.000 2.027 410 L HA -0.152 4.193 4.340 0.009 0.000 0.206 410 L C 2.590 179.467 176.870 0.011 0.000 1.074 410 L CA 2.546 57.401 54.840 0.025 0.000 0.745 410 L CB -0.908 41.158 42.059 0.011 0.000 0.898 410 L HN 0.311 nan 8.230 nan 0.000 0.433 411 T N -3.396 111.153 114.554 -0.009 0.000 2.777 411 T HA -0.141 4.215 4.350 0.009 0.000 0.266 411 T C 1.603 176.281 174.700 -0.038 0.000 1.040 411 T CA 1.188 63.272 62.100 -0.027 0.000 1.141 411 T CB -0.399 68.442 68.868 -0.045 0.000 0.868 411 T HN 0.186 nan 8.240 nan 0.000 0.444 412 M N 2.093 121.656 119.600 -0.061 0.000 2.628 412 M HA 0.339 4.824 4.480 0.009 0.000 0.232 412 M C 1.029 177.366 176.300 0.063 0.000 1.128 412 M CA -0.095 55.167 55.300 -0.062 0.000 1.040 412 M CB -1.222 31.227 32.600 -0.252 0.000 1.608 412 M HN 0.182 nan 8.290 nan 0.000 0.507 413 S N 0.788 116.519 115.700 0.052 0.000 2.700 413 S HA 0.064 4.540 4.470 0.009 0.000 0.250 413 S C 1.377 176.008 174.600 0.051 0.000 1.355 413 S CA 0.123 58.359 58.200 0.061 0.000 0.970 413 S CB 0.378 63.602 63.200 0.040 0.000 0.975 413 S HN 0.403 nan 8.310 nan 0.000 0.563 414 S N -0.213 115.512 115.700 0.041 0.000 2.559 414 S HA 0.246 4.721 4.470 0.009 0.000 0.226 414 S C 0.785 175.399 174.600 0.023 0.000 1.000 414 S CA -0.285 57.935 58.200 0.034 0.000 0.948 414 S CB 0.331 63.550 63.200 0.033 0.000 0.870 414 S HN 0.608 nan 8.310 nan 0.000 0.497 415 E N 1.618 121.830 120.200 0.020 0.000 3.874 415 E HA 0.264 4.620 4.350 0.009 0.000 0.216 415 E C 1.495 178.100 176.600 0.010 0.000 1.307 415 E CA 0.258 56.666 56.400 0.013 0.000 1.536 415 E CB -0.361 29.345 29.700 0.012 0.000 1.996 415 E HN -0.096 nan 8.360 nan 0.000 0.602 416 K N 0.865 121.270 120.400 0.008 0.000 2.034 416 K HA -0.078 4.248 4.320 0.009 0.000 0.214 416 K C 1.907 178.509 176.600 0.003 0.000 1.051 416 K CA 2.511 58.800 56.287 0.004 0.000 0.931 416 K CB -1.236 31.266 32.500 0.002 0.000 0.715 416 K HN 0.286 nan 8.250 nan 0.000 0.446 417 G N -0.788 108.015 108.800 0.004 0.000 2.469 417 G HA2 -0.235 3.730 3.960 0.009 0.000 0.219 417 G HA3 -0.235 3.730 3.960 0.009 0.000 0.219 417 G C 1.653 176.555 174.900 0.003 0.000 1.150 417 G CA 1.134 46.234 45.100 0.000 0.000 0.763 417 G HN 0.528 nan 8.290 nan 0.000 0.561 418 G N 1.150 109.955 108.800 0.007 0.000 2.433 418 G HA2 -0.159 3.806 3.960 0.009 0.000 0.216 418 G HA3 -0.159 3.806 3.960 0.009 0.000 0.216 418 G C 1.786 176.690 174.900 0.007 0.000 1.186 418 G CA 0.911 46.016 45.100 0.008 0.000 0.779 418 G HN 0.455 nan 8.290 nan 0.000 0.543 419 I N 0.698 121.271 120.570 0.005 0.000 2.163 419 I HA -0.274 3.902 4.170 0.009 0.000 0.243 419 I C 2.986 179.106 176.117 0.005 0.000 1.085 419 I CA 1.394 62.696 61.300 0.004 0.000 1.347 419 I CB -0.345 37.656 38.000 0.001 0.000 1.044 419 I HN 0.175 nan 8.210 nan 0.000 0.408 420 M N 0.047 119.650 119.600 0.004 0.000 2.082 420 M HA -0.251 4.235 4.480 0.009 0.000 0.258 420 M C 2.565 178.873 176.300 0.013 0.000 1.069 420 M CA 1.828 57.132 55.300 0.006 0.000 1.102 420 M CB -0.682 31.920 32.600 0.004 0.000 1.336 420 M HN 0.175 nan 8.290 nan 0.000 0.404 421 R N 0.486 120.994 120.500 0.013 0.000 2.127 421 R HA -0.203 4.142 4.340 0.009 0.000 0.238 421 R C 2.196 178.507 176.300 0.017 0.000 1.134 421 R CA 1.738 57.848 56.100 0.017 0.000 0.975 421 R CB -0.188 30.120 30.300 0.013 0.000 0.865 421 R HN 0.510 nan 8.270 nan 0.000 0.447 422 Q N 0.317 120.126 119.800 0.014 0.000 2.020 422 Q HA -0.185 4.160 4.340 0.009 0.000 0.198 422 Q C 1.776 177.788 176.000 0.019 0.000 0.974 422 Q CA 1.481 57.293 55.803 0.014 0.000 0.829 422 Q CB 0.061 28.804 28.738 0.009 0.000 0.894 422 Q HN 0.037 nan 8.270 nan 0.000 0.433 423 K N 0.881 121.291 120.400 0.017 0.000 2.074 423 K HA -0.118 4.208 4.320 0.009 0.000 0.209 423 K C 1.776 178.397 176.600 0.035 0.000 1.048 423 K CA 1.327 57.627 56.287 0.020 0.000 0.926 423 K CB -0.379 32.127 32.500 0.011 0.000 0.713 423 K HN 0.353 nan 8.250 nan 0.000 0.444 424 I N -0.257 120.335 120.570 0.037 0.000 3.111 424 I HA -0.134 4.042 4.170 0.009 0.000 0.272 424 I C 1.116 177.270 176.117 0.061 0.000 1.268 424 I CA 0.368 61.700 61.300 0.053 0.000 1.467 424 I CB 0.311 38.340 38.000 0.048 0.000 1.087 424 I HN -0.068 nan 8.210 nan 0.000 0.467 425 V N 0.868 120.811 119.914 0.048 0.000 2.535 425 V HA -0.161 3.964 4.120 0.009 0.000 0.246 425 V C 2.247 178.374 176.094 0.055 0.000 1.045 425 V CA 1.463 63.790 62.300 0.045 0.000 1.058 425 V CB -0.407 31.430 31.823 0.024 0.000 0.689 425 V HN 0.357 nan 8.190 nan 0.000 0.461 426 K N -0.339 120.092 120.400 0.052 0.000 2.155 426 K HA -0.086 4.239 4.320 0.009 0.000 0.203 426 K C 2.022 178.676 176.600 0.089 0.000 1.052 426 K CA 0.946 57.268 56.287 0.058 0.000 0.948 426 K CB -0.204 32.323 32.500 0.045 0.000 0.728 426 K HN 0.247 nan 8.250 nan 0.000 0.448 427 L N 2.149 123.437 121.223 0.107 0.000 2.072 427 L HA -0.101 4.245 4.340 0.009 0.000 0.205 427 L C 2.272 179.245 176.870 0.171 0.000 1.079 427 L CA 1.740 56.685 54.840 0.174 0.000 0.752 427 L CB -0.380 41.784 42.059 0.174 0.000 0.906 427 L HN 0.000 nan 8.230 nan 0.000 0.436 428 K N -0.458 120.018 120.400 0.127 0.000 2.103 428 K HA -0.228 4.097 4.320 0.009 0.000 0.207 428 K C 1.926 178.633 176.600 0.179 0.000 1.048 428 K CA 1.820 58.185 56.287 0.130 0.000 0.930 428 K CB -0.093 32.500 32.500 0.156 0.000 0.716 428 K HN 0.476 nan 8.250 nan 0.000 0.444 429 E N -0.109 120.172 120.200 0.136 0.000 2.077 429 E HA -0.123 4.232 4.350 0.009 0.000 0.193 429 E C 2.043 178.700 176.600 0.096 0.000 0.989 429 E CA 1.291 57.764 56.400 0.121 0.000 0.800 429 E CB 0.082 29.821 29.700 0.066 0.000 0.746 429 E HN 0.247 nan 8.360 nan 0.000 0.452 430 S N 0.452 116.198 115.700 0.077 0.000 2.382 430 S HA -0.161 4.315 4.470 0.009 0.000 0.228 430 S C 2.040 176.557 174.600 -0.138 0.000 1.027 430 S CA 0.902 59.142 58.200 0.067 0.000 0.991 430 S CB -0.149 63.185 63.200 0.222 0.000 0.823 430 S HN 0.381 nan 8.310 nan 0.000 0.469 431 A N 0.942 123.510 122.820 -0.419 0.000 1.865 431 A HA -0.080 4.246 4.320 0.009 0.000 0.217 431 A C 1.855 179.133 177.584 -0.510 0.000 1.191 431 A CA 1.489 52.957 52.037 -0.947 0.000 0.623 431 A CB -0.975 17.439 19.000 -0.976 0.000 0.826 431 A HN 0.466 nan 8.150 nan 0.000 0.444 432 F N 0.072 119.882 119.950 -0.233 0.000 2.171 432 F HA -0.118 4.415 4.527 0.009 0.000 0.300 432 F C 2.314 178.055 175.800 -0.097 0.000 1.090 432 F CA 1.942 59.859 58.000 -0.137 0.000 1.293 432 F CB -0.140 38.802 39.000 -0.096 0.000 1.013 432 F HN 0.242 nan 8.300 nan 0.000 0.486 433 K N 0.545 120.996 120.400 0.085 0.000 2.057 433 K HA -0.137 4.188 4.320 0.009 0.000 0.207 433 K C 2.211 178.826 176.600 0.025 0.000 1.049 433 K CA 1.219 57.539 56.287 0.055 0.000 0.931 433 K CB -0.321 32.212 32.500 0.055 0.000 0.714 433 K HN 0.164 nan 8.250 nan 0.000 0.440 434 A N 0.874 123.683 122.820 -0.017 0.000 2.024 434 A HA -0.105 4.220 4.320 0.009 0.000 0.220 434 A C 2.044 179.636 177.584 0.013 0.000 1.164 434 A CA 1.721 53.765 52.037 0.011 0.000 0.643 434 A CB -0.576 18.424 19.000 -0.000 0.000 0.806 434 A HN 0.340 nan 8.150 nan 0.000 0.451 435 V N -2.632 117.265 119.914 -0.028 0.000 3.608 435 V HA 0.152 4.278 4.120 0.009 0.000 0.269 435 V C 0.404 176.505 176.094 0.012 0.000 1.245 435 V CA -0.104 62.190 62.300 -0.010 0.000 1.138 435 V CB -0.768 31.015 31.823 -0.066 0.000 0.841 435 V HN 0.468 nan 8.190 nan 0.000 0.451 436 E N 0.874 121.090 120.200 0.027 0.000 2.404 436 E HA 0.006 4.361 4.350 0.009 0.000 0.261 436 E C 0.761 177.379 176.600 0.029 0.000 1.074 436 E CA 0.219 56.637 56.400 0.031 0.000 0.917 436 E CB 0.665 30.387 29.700 0.037 0.000 0.965 436 E HN 0.451 nan 8.360 nan 0.000 0.433 437 Q N 1.877 121.690 119.800 0.022 0.000 2.268 437 Q HA -0.284 4.061 4.340 0.009 0.000 0.210 437 Q C 1.376 177.398 176.000 0.036 0.000 0.988 437 Q CA 1.500 57.318 55.803 0.025 0.000 0.883 437 Q CB 0.060 28.809 28.738 0.017 0.000 0.911 437 Q HN 0.388 nan 8.270 nan 0.000 0.430 438 N N -0.340 118.381 118.700 0.035 0.000 2.409 438 N HA 0.004 4.749 4.740 0.009 0.000 0.179 438 N C 0.105 175.644 175.510 0.048 0.000 1.032 438 N CA 0.832 53.905 53.050 0.039 0.000 0.898 438 N CB -0.050 38.456 38.487 0.033 0.000 0.971 438 N HN 0.267 nan 8.380 nan 0.000 0.441 439 G N -1.206 107.625 108.800 0.052 0.000 2.572 439 G HA2 0.142 4.107 3.960 0.009 0.000 0.261 439 G HA3 0.142 4.107 3.960 0.009 0.000 0.261 439 G C 0.833 175.781 174.900 0.080 0.000 1.197 439 G CA -0.246 44.892 45.100 0.063 0.000 0.870 439 G HN 0.078 nan 8.290 nan 0.000 0.548 440 T N 0.945 115.555 114.554 0.092 0.000 2.803 440 T HA -0.144 4.211 4.350 0.009 0.000 0.269 440 T C 2.764 177.542 174.700 0.129 0.000 1.052 440 T CA 1.865 64.029 62.100 0.106 0.000 1.136 440 T CB -0.082 68.852 68.868 0.111 0.000 0.864 440 T HN 0.376 nan 8.240 nan 0.000 0.467 441 S N 1.076 116.862 115.700 0.143 0.000 2.371 441 S HA 0.062 4.537 4.470 0.009 0.000 0.224 441 S C 2.582 177.312 174.600 0.217 0.000 1.029 441 S CA 0.813 59.123 58.200 0.185 0.000 0.978 441 S CB -0.432 62.876 63.200 0.181 0.000 0.833 441 S HN 0.589 nan 8.310 nan 0.000 0.466 442 A N 1.614 124.526 122.820 0.153 0.000 1.902 442 A HA -0.051 4.274 4.320 0.009 0.000 0.217 442 A C 2.139 179.824 177.584 0.168 0.000 1.181 442 A CA 1.397 53.518 52.037 0.140 0.000 0.623 442 A CB -0.601 18.438 19.000 0.065 0.000 0.818 442 A HN 0.462 nan 8.150 nan 0.000 0.443 443 M N -0.690 118.990 119.600 0.133 0.000 2.132 443 M HA -0.139 4.346 4.480 0.009 0.000 0.263 443 M C 1.379 177.761 176.300 0.137 0.000 1.065 443 M CA 1.584 56.955 55.300 0.119 0.000 1.122 443 M CB -0.510 32.144 32.600 0.091 0.000 1.365 443 M HN 0.261 nan 8.290 nan 0.000 0.411 444 D N -0.152 120.334 120.400 0.144 0.000 2.224 444 D HA -0.084 4.561 4.640 0.009 0.000 0.205 444 D C 1.670 178.049 176.300 0.131 0.000 0.965 444 D CA 1.014 55.084 54.000 0.116 0.000 0.852 444 D CB -0.219 40.639 40.800 0.098 0.000 0.947 444 D HN 0.271 nan 8.370 nan 0.000 0.494 445 F N 1.071 121.070 119.950 0.080 0.000 2.146 445 F HA -0.197 4.335 4.527 0.009 0.000 0.298 445 F C 2.350 178.189 175.800 0.065 0.000 1.096 445 F CA 1.126 59.174 58.000 0.081 0.000 1.275 445 F CB 0.025 39.072 39.000 0.078 0.000 1.008 445 F HN -0.113 nan 8.300 nan 0.000 0.480 446 T N -0.801 113.954 114.554 0.335 0.000 2.720 446 T HA -0.195 4.161 4.350 0.009 0.000 0.268 446 T C 1.814 176.611 174.700 0.162 0.000 1.037 446 T CA 1.982 64.213 62.100 0.217 0.000 1.144 446 T CB -0.575 68.376 68.868 0.138 0.000 0.864 446 T HN 0.281 nan 8.240 nan 0.000 0.444 447 T N 2.441 117.070 114.554 0.126 0.000 2.708 447 T HA -0.047 4.308 4.350 0.009 0.000 0.266 447 T C 1.906 176.647 174.700 0.069 0.000 1.037 447 T CA 0.943 63.093 62.100 0.084 0.000 1.146 447 T CB -0.530 68.377 68.868 0.064 0.000 0.865 447 T HN 0.148 nan 8.240 nan 0.000 0.435 448 L N 1.268 122.519 121.223 0.046 0.000 1.990 448 L HA -0.081 4.264 4.340 0.009 0.000 0.213 448 L C 2.186 179.095 176.870 0.064 0.000 1.072 448 L CA 1.649 56.486 54.840 -0.005 0.000 0.755 448 L CB -0.764 41.198 42.059 -0.162 0.000 0.889 448 L HN 0.274 nan 8.230 nan 0.000 0.432 449 I N -0.790 119.866 120.570 0.144 0.000 2.151 449 I HA -0.389 3.786 4.170 0.009 0.000 0.243 449 I C 2.624 178.826 176.117 0.141 0.000 1.080 449 I CA 1.716 63.127 61.300 0.186 0.000 1.339 449 I CB -0.432 37.706 38.000 0.229 0.000 1.039 449 I HN 0.456 nan 8.210 nan 0.000 0.409 450 Q N 0.402 120.270 119.800 0.114 0.000 2.061 450 Q HA -0.216 4.130 4.340 0.009 0.000 0.204 450 Q C 2.381 178.427 176.000 0.076 0.000 0.984 450 Q CA 1.721 57.577 55.803 0.089 0.000 0.846 450 Q CB -0.148 28.635 28.738 0.075 0.000 0.902 450 Q HN 0.567 nan 8.270 nan 0.000 0.421 451 I N -0.098 120.511 120.570 0.066 0.000 2.202 451 I HA -0.242 3.933 4.170 0.009 0.000 0.242 451 I C 2.223 178.377 176.117 0.062 0.000 1.091 451 I CA 0.876 62.207 61.300 0.052 0.000 1.368 451 I CB -0.289 37.730 38.000 0.032 0.000 1.058 451 I HN 0.043 nan 8.210 nan 0.000 0.410 452 V N 0.569 120.533 119.914 0.083 0.000 2.515 452 V HA -0.196 3.929 4.120 0.009 0.000 0.250 452 V C 1.901 178.055 176.094 0.100 0.000 1.058 452 V CA 2.213 64.577 62.300 0.107 0.000 1.064 452 V CB -0.986 30.939 31.823 0.170 0.000 0.675 452 V HN 0.632 nan 8.190 nan 0.000 0.461 453 T N -2.174 112.447 114.554 0.111 0.000 3.258 453 T HA 0.406 4.761 4.350 0.009 0.000 0.263 453 T C 0.189 174.927 174.700 0.063 0.000 0.983 453 T CA 0.296 62.452 62.100 0.093 0.000 0.907 453 T CB -0.075 68.881 68.868 0.147 0.000 1.096 453 T HN 0.515 nan 8.240 nan 0.000 0.556 454 S N 0.000 115.730 115.700 0.051 0.000 2.498 454 S HA 0.000 4.475 4.470 0.009 0.000 0.327 454 S CA 0.000 58.225 58.200 0.042 0.000 1.107 454 S CB 0.000 63.227 63.200 0.046 0.000 0.593 454 S HN 0.000 nan 8.310 nan 0.000 0.517