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 1pvg_1_A DATA FIRST_RESID 7 DATA SEQUENCE SASDKYQKIS QLEHILKRPD TYIGSVETQE QLQWIYDEET DCXIEKNVTI DATA SEQUENCE VPGLFKIFDE ILVNAADNKV RDPSXKRIDV NIHAEEHTIE VKNDGKGIPI DATA SEQUENCE EIHNKENIYI PEXIFGHLLT SSNYDDDEKK VTGGRNGYGA KLCNIFSTEF DATA SEQUENCE ILETADLNVG QKYVQKWENN XSICHPPKIT SYKKGPSYTK VTFKPDLTRF DATA SEQUENCE GXKELDNDIL GVXRRRVYDI NGSVRDINVY LNGKSLKIRN FKNYVELYLK DATA SEQUENCE SLXXXXXXXX XXXXXXXXXI PTILYERINN RWEVAFAVSD ISFQQISFVN DATA SEQUENCE SIATTXGGTH VNYITDQIVK KISEILKKXX XXXVKSFQIK NNXFIFINCL DATA SEQUENCE IENPAFTSQT KEQLTTRVKD FGSRCEIPLE YINKIXKTDL ATRXFEIADA 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 7 S HA 0.000 nan 4.470 nan 0.000 0.327 7 S C 0.000 174.620 174.600 0.033 0.000 1.055 7 S CA 0.000 58.212 58.200 0.019 0.000 1.107 7 S CB 0.000 63.208 63.200 0.013 0.000 0.593 8 A N 1.367 124.231 122.820 0.074 0.000 1.930 8 A HA 0.142 4.461 4.320 -0.001 0.000 0.217 8 A C 2.150 179.863 177.584 0.216 0.000 1.175 8 A CA 2.229 54.365 52.037 0.165 0.000 0.627 8 A CB -0.919 18.186 19.000 0.176 0.000 0.815 8 A HN 0.538 nan 8.150 nan 0.000 0.443 9 S N -0.232 115.543 115.700 0.125 0.000 2.402 9 S HA -0.104 4.365 4.470 -0.001 0.000 0.229 9 S C 1.446 176.096 174.600 0.083 0.000 1.021 9 S CA 1.207 59.471 58.200 0.107 0.000 0.974 9 S CB -0.277 62.961 63.200 0.063 0.000 0.800 9 S HN 0.572 nan 8.310 nan 0.000 0.484 10 D N 0.806 121.234 120.400 0.047 0.000 2.249 10 D HA 0.004 4.643 4.640 -0.001 0.000 0.205 10 D C 1.881 178.167 176.300 -0.023 0.000 0.962 10 D CA 0.738 54.746 54.000 0.014 0.000 0.860 10 D CB -0.046 40.755 40.800 0.002 0.000 0.955 10 D HN 0.324 nan 8.370 nan 0.000 0.505 11 K N -0.375 119.986 120.400 -0.065 0.000 2.062 11 K HA -0.093 4.227 4.320 -0.001 0.000 0.205 11 K C -0.054 176.331 176.600 -0.358 0.000 1.051 11 K CA 0.729 56.864 56.287 -0.253 0.000 0.941 11 K CB 0.016 32.276 32.500 -0.399 0.000 0.719 11 K HN -0.003 nan 8.250 nan 0.000 0.440 12 Y N 1.733 122.038 120.300 0.007 0.000 2.341 12 Y HA 0.333 4.883 4.550 -0.001 0.000 0.340 12 Y C -0.446 175.459 175.900 0.008 0.000 0.997 12 Y CA -0.687 57.417 58.100 0.007 0.000 1.149 12 Y CB 1.519 39.982 38.460 0.004 0.000 1.171 12 Y HN 0.014 nan 8.280 nan 0.000 0.494 13 Q N 2.764 122.639 119.800 0.125 0.000 2.365 13 Q HA 0.402 4.741 4.340 -0.001 0.000 0.269 13 Q C -1.053 174.989 176.000 0.071 0.000 1.061 13 Q CA -1.243 54.607 55.803 0.078 0.000 0.816 13 Q CB 2.945 31.710 28.738 0.046 0.000 1.325 13 Q HN 0.527 nan 8.270 nan 0.000 0.446 14 K N 3.399 123.832 120.400 0.054 0.000 2.206 14 K HA 0.588 4.907 4.320 -0.001 0.000 0.264 14 K C -0.922 175.700 176.600 0.035 0.000 0.967 14 K CA -0.432 55.878 56.287 0.039 0.000 0.844 14 K CB 0.817 33.335 32.500 0.031 0.000 1.099 14 K HN 0.660 nan 8.250 nan 0.000 0.441 15 I N -0.035 120.555 120.570 0.034 0.000 2.892 15 I HA 0.493 4.662 4.170 -0.001 0.000 0.306 15 I C -0.177 175.963 176.117 0.039 0.000 1.078 15 I CA -0.957 60.368 61.300 0.042 0.000 1.032 15 I CB 2.098 40.138 38.000 0.067 0.000 1.229 15 I HN 0.642 nan 8.210 nan 0.000 0.435 16 S N 2.276 117.999 115.700 0.039 0.000 2.614 16 S HA 0.148 4.617 4.470 -0.001 0.000 0.265 16 S C 0.819 175.455 174.600 0.060 0.000 1.303 16 S CA -0.049 58.172 58.200 0.036 0.000 1.000 16 S CB 1.606 64.817 63.200 0.019 0.000 0.935 16 S HN 0.926 nan 8.310 nan 0.000 0.551 17 Q N 0.472 120.308 119.800 0.060 0.000 2.096 17 Q HA -0.106 4.233 4.340 -0.001 0.000 0.204 17 Q C 1.852 177.871 176.000 0.032 0.000 0.982 17 Q CA 1.600 57.457 55.803 0.091 0.000 0.850 17 Q CB -0.410 28.389 28.738 0.102 0.000 0.901 17 Q HN 0.859 nan 8.270 nan 0.000 0.422 18 L N 0.327 121.542 121.223 -0.014 0.000 2.012 18 L HA -0.219 4.120 4.340 -0.001 0.000 0.210 18 L C 2.370 179.184 176.870 -0.092 0.000 1.073 18 L CA 1.690 56.481 54.840 -0.082 0.000 0.748 18 L CB -0.404 41.607 42.059 -0.080 0.000 0.891 18 L HN 0.329 nan 8.230 nan 0.000 0.431 19 E N -1.200 118.981 120.200 -0.032 0.000 2.110 19 E HA -0.272 4.077 4.350 -0.001 0.000 0.193 19 E C 2.095 178.706 176.600 0.019 0.000 0.988 19 E CA 1.071 57.461 56.400 -0.017 0.000 0.804 19 E CB -0.194 29.515 29.700 0.015 0.000 0.745 19 E HN 0.513 nan 8.360 nan 0.000 0.458 20 H N 0.651 119.705 119.070 -0.027 0.000 2.357 20 H HA -0.077 4.478 4.556 -0.001 0.000 0.301 20 H C 2.151 177.484 175.328 0.008 0.000 1.082 20 H CA 1.182 57.247 56.048 0.029 0.000 1.342 20 H CB 0.101 29.922 29.762 0.098 0.000 1.389 20 H HN 0.134 nan 8.280 nan 0.000 0.511 21 I N 0.700 121.112 120.570 -0.264 0.000 2.208 21 I HA -0.312 3.857 4.170 -0.001 0.000 0.245 21 I C 2.535 178.555 176.117 -0.161 0.000 1.097 21 I CA 0.972 61.970 61.300 -0.503 0.000 1.363 21 I CB -0.170 37.451 38.000 -0.631 0.000 1.051 21 I HN 0.233 nan 8.210 nan 0.000 0.413 22 L N 0.294 121.393 121.223 -0.206 0.000 2.156 22 L HA -0.173 4.166 4.340 -0.001 0.000 0.208 22 L C 2.587 179.425 176.870 -0.054 0.000 1.095 22 L CA 1.145 55.872 54.840 -0.188 0.000 0.770 22 L CB -0.458 41.442 42.059 -0.264 0.000 0.914 22 L HN 0.215 nan 8.230 nan 0.000 0.439 23 K N 0.182 120.544 120.400 -0.064 0.000 2.076 23 K HA -0.043 4.276 4.320 -0.001 0.000 0.204 23 K C 0.406 176.987 176.600 -0.032 0.000 1.051 23 K CA 0.831 57.099 56.287 -0.031 0.000 0.949 23 K CB 0.435 32.934 32.500 -0.001 0.000 0.726 23 K HN 0.058 nan 8.250 nan 0.000 0.443 24 R N 0.459 120.894 120.500 -0.107 0.000 2.629 24 R HA 0.196 4.535 4.340 -0.001 0.000 0.277 24 R C -2.472 173.841 176.300 0.021 0.000 1.637 24 R CA -1.676 54.365 56.100 -0.098 0.000 1.663 24 R CB 1.185 31.335 30.300 -0.250 0.000 1.228 24 R HN 0.113 nan 8.270 nan 0.000 0.632 25 P HA -0.092 nan 4.420 nan 0.000 0.222 25 P C 0.348 177.722 177.300 0.123 0.000 1.147 25 P CA 1.010 64.219 63.100 0.183 0.000 0.790 25 P CB 0.451 32.194 31.700 0.072 0.000 0.780 26 D N -0.816 119.611 120.400 0.045 0.000 2.106 26 D HA -0.172 4.467 4.640 -0.001 0.000 0.191 26 D C 1.851 178.115 176.300 -0.060 0.000 0.997 26 D CA 2.187 56.183 54.000 -0.006 0.000 0.834 26 D CB -0.960 39.835 40.800 -0.008 0.000 0.956 26 D HN 0.263 nan 8.370 nan 0.000 0.448 27 T N -2.634 111.827 114.554 -0.154 0.000 3.118 27 T HA -0.043 4.306 4.350 -0.001 0.000 0.260 27 T C 1.393 175.850 174.700 -0.406 0.000 1.139 27 T CA 0.480 62.406 62.100 -0.290 0.000 1.085 27 T CB -0.303 68.343 68.868 -0.371 0.000 0.934 27 T HN 0.198 nan 8.240 nan 0.000 0.518 28 Y N 1.545 121.781 120.300 -0.106 0.000 2.314 28 Y HA 0.404 4.953 4.550 -0.001 0.000 0.294 28 Y C 2.131 177.953 175.900 -0.130 0.000 1.139 28 Y CA 0.130 58.142 58.100 -0.146 0.000 1.162 28 Y CB 0.115 38.509 38.460 -0.110 0.000 1.121 28 Y HN 0.324 nan 8.280 nan 0.000 0.529 29 I N -3.470 117.119 120.570 0.031 0.000 4.338 29 I HA 0.721 4.890 4.170 -0.001 0.000 0.329 29 I C 0.774 176.852 176.117 -0.065 0.000 1.378 29 I CA 0.186 61.446 61.300 -0.065 0.000 1.170 29 I CB 0.693 38.582 38.000 -0.185 0.000 1.206 29 I HN 0.165 nan 8.210 nan 0.000 0.432 30 G N 1.611 110.386 108.800 -0.042 0.000 2.685 30 G HA2 -0.185 3.774 3.960 -0.001 0.000 0.387 30 G HA3 -0.185 3.774 3.960 -0.001 0.000 0.387 30 G C -0.458 174.441 174.900 -0.003 0.000 1.324 30 G CA -0.174 44.913 45.100 -0.021 0.000 0.878 30 G HN 0.447 nan 8.290 nan 0.000 0.527 31 S N -1.160 114.551 115.700 0.018 0.000 2.562 31 S HA 0.354 4.823 4.470 -0.001 0.000 0.281 31 S C 1.651 176.294 174.600 0.071 0.000 1.333 31 S CA 0.508 58.730 58.200 0.037 0.000 1.052 31 S CB 0.930 64.153 63.200 0.037 0.000 0.884 31 S HN 2.029 nan 8.310 nan 0.000 0.506 32 V N 1.367 121.336 119.914 0.092 0.000 3.444 32 V HA 0.455 4.575 4.120 -0.001 0.000 0.308 32 V C 0.288 176.468 176.094 0.143 0.000 1.371 32 V CA -0.240 62.166 62.300 0.176 0.000 1.141 32 V CB -0.570 31.340 31.823 0.145 0.000 1.037 32 V HN 0.627 nan 8.190 nan 0.000 0.433 33 E N 2.101 122.354 120.200 0.089 0.000 2.248 33 E HA 0.380 4.729 4.350 -0.001 0.000 0.272 33 E C 0.274 176.909 176.600 0.059 0.000 1.008 33 E CA 0.082 56.522 56.400 0.067 0.000 0.856 33 E CB 1.660 31.387 29.700 0.045 0.000 1.120 33 E HN 0.542 nan 8.360 nan 0.000 0.397 34 T N 0.575 115.156 114.554 0.046 0.000 2.930 34 T HA 0.186 4.535 4.350 -0.001 0.000 0.306 34 T C 0.094 174.807 174.700 0.021 0.000 1.045 34 T CA -0.696 61.423 62.100 0.030 0.000 1.134 34 T CB 0.639 69.520 68.868 0.021 0.000 0.961 34 T HN 0.152 nan 8.240 nan 0.000 0.545 35 Q N 1.583 121.391 119.800 0.014 0.000 2.337 35 Q HA 0.325 4.664 4.340 -0.001 0.000 0.270 35 Q C -0.573 175.425 176.000 -0.004 0.000 1.043 35 Q CA -0.676 55.133 55.803 0.009 0.000 0.794 35 Q CB 2.344 31.093 28.738 0.018 0.000 1.281 35 Q HN 0.724 nan 8.270 nan 0.000 0.446 36 E N 2.495 122.690 120.200 -0.008 0.000 2.257 36 E HA 0.162 4.511 4.350 -0.001 0.000 0.278 36 E C -0.615 175.972 176.600 -0.021 0.000 1.049 36 E CA 0.113 56.502 56.400 -0.019 0.000 0.876 36 E CB 0.881 30.569 29.700 -0.020 0.000 1.035 36 E HN 0.392 nan 8.360 nan 0.000 0.419 37 Q N 1.879 121.660 119.800 -0.031 0.000 2.359 37 Q HA 0.330 4.670 4.340 -0.001 0.000 0.274 37 Q C -0.969 174.994 176.000 -0.062 0.000 1.074 37 Q CA -1.068 54.715 55.803 -0.033 0.000 0.810 37 Q CB 2.271 31.001 28.738 -0.014 0.000 1.342 37 Q HN 0.269 nan 8.270 nan 0.000 0.427 38 L N 2.852 124.028 121.223 -0.079 0.000 2.325 38 L HA 0.194 4.533 4.340 -0.001 0.000 0.284 38 L C -0.854 175.928 176.870 -0.146 0.000 1.089 38 L CA 0.816 55.574 54.840 -0.136 0.000 0.836 38 L CB 0.338 42.299 42.059 -0.164 0.000 1.184 38 L HN 0.493 nan 8.230 nan 0.000 0.444 39 Q N 3.874 123.578 119.800 -0.160 0.000 2.375 39 Q HA 0.236 4.575 4.340 -0.001 0.000 0.271 39 Q C -1.433 174.489 176.000 -0.130 0.000 1.074 39 Q CA -0.559 55.191 55.803 -0.088 0.000 0.808 39 Q CB 1.659 30.380 28.738 -0.029 0.000 1.327 39 Q HN 0.595 nan 8.270 nan 0.000 0.441 40 W N 2.541 123.901 121.300 0.099 0.000 2.253 40 W HA 0.259 4.918 4.660 -0.001 0.000 0.322 40 W C 0.130 176.681 176.519 0.053 0.000 1.342 40 W CA -0.110 57.301 57.345 0.110 0.000 1.218 40 W CB 0.525 30.142 29.460 0.260 0.000 1.205 40 W HN 0.289 nan 8.180 nan 0.000 0.551 41 I N 3.293 123.998 120.570 0.226 0.000 2.689 41 I HA 0.157 4.327 4.170 -0.001 0.000 0.299 41 I C -0.922 175.229 176.117 0.057 0.000 1.059 41 I CA -1.895 59.473 61.300 0.113 0.000 1.055 41 I CB 1.542 39.559 38.000 0.028 0.000 1.243 41 I HN 0.321 nan 8.210 nan 0.000 0.425 42 Y N 4.524 124.759 120.300 -0.108 0.000 2.404 42 Y HA 0.173 4.722 4.550 -0.001 0.000 0.344 42 Y C 0.387 176.192 175.900 -0.157 0.000 0.995 42 Y CA -0.025 57.921 58.100 -0.257 0.000 1.201 42 Y CB 0.451 38.585 38.460 -0.543 0.000 1.151 42 Y HN 0.480 nan 8.280 nan 0.000 0.517 43 D N 5.365 125.435 120.400 -0.550 0.000 2.316 43 D HA -0.002 4.637 4.640 -0.001 0.000 0.245 43 D C 0.621 176.621 176.300 -0.500 0.000 1.171 43 D CA 0.056 53.832 54.000 -0.373 0.000 0.856 43 D CB 1.370 42.002 40.800 -0.281 0.000 1.090 43 D HN 0.897 nan 8.370 nan 0.000 0.476 44 E N 3.093 123.215 120.200 -0.131 0.000 2.158 44 E HA -0.164 4.185 4.350 -0.001 0.000 0.191 44 E C 1.793 178.379 176.600 -0.022 0.000 0.982 44 E CA 1.679 58.110 56.400 0.051 0.000 0.823 44 E CB 0.129 29.933 29.700 0.172 0.000 0.766 44 E HN 0.601 nan 8.360 nan 0.000 0.468 45 E N -0.477 119.690 120.200 -0.056 0.000 2.208 45 E HA -0.082 4.267 4.350 -0.001 0.000 0.193 45 E C 1.829 178.384 176.600 -0.076 0.000 0.988 45 E CA 1.738 58.110 56.400 -0.048 0.000 0.828 45 E CB -1.178 28.498 29.700 -0.041 0.000 0.763 45 E HN 0.517 nan 8.360 nan 0.000 0.478 46 T N -1.007 113.467 114.554 -0.134 0.000 3.084 46 T HA 0.389 4.738 4.350 -0.001 0.000 0.270 46 T C 0.679 175.256 174.700 -0.207 0.000 1.008 46 T CA 0.564 62.578 62.100 -0.144 0.000 0.900 46 T CB 0.069 68.855 68.868 -0.136 0.000 1.084 46 T HN 0.099 nan 8.240 nan 0.000 0.538 47 D N 1.012 121.241 120.400 -0.285 0.000 2.686 47 D HA -0.124 4.516 4.640 -0.001 0.000 0.235 47 D C 0.457 176.491 176.300 -0.444 0.000 1.160 47 D CA 1.045 54.850 54.000 -0.325 0.000 0.645 47 D CB -1.834 38.928 40.800 -0.063 0.000 1.039 47 D HN 0.964 nan 8.370 nan 0.000 0.423 51 E N 5.573 125.588 120.200 -0.308 0.000 2.194 51 E HA 0.629 4.979 4.350 -0.001 0.000 0.284 51 E C -0.711 175.702 176.600 -0.312 0.000 1.035 51 E CA -0.306 55.723 56.400 -0.618 0.000 0.836 51 E CB 1.008 30.113 29.700 -0.992 0.000 1.070 51 E HN 0.571 nan 8.360 nan 0.000 0.401 52 K N 3.057 123.310 120.400 -0.245 0.000 2.426 52 K HA 0.338 4.658 4.320 -0.001 0.000 0.251 52 K C -0.597 175.917 176.600 -0.143 0.000 0.941 52 K CA -0.845 55.349 56.287 -0.156 0.000 0.808 52 K CB 1.042 33.478 32.500 -0.105 0.000 1.265 52 K HN 0.495 nan 8.250 nan 0.000 0.432 53 N N 1.748 120.380 118.700 -0.113 0.000 2.442 53 N HA 0.335 5.075 4.740 -0.001 0.000 0.265 53 N C -0.079 175.386 175.510 -0.075 0.000 1.138 53 N CA 0.011 53.006 53.050 -0.092 0.000 0.956 53 N CB 1.270 39.712 38.487 -0.076 0.000 1.067 53 N HN 0.662 nan 8.380 nan 0.000 0.474 54 V N -0.197 119.673 119.914 -0.072 0.000 3.001 54 V HA 0.669 4.788 4.120 -0.001 0.000 0.314 54 V C 0.017 176.079 176.094 -0.053 0.000 1.099 54 V CA -0.718 61.542 62.300 -0.065 0.000 0.989 54 V CB 2.069 33.845 31.823 -0.079 0.000 1.040 54 V HN 0.422 nan 8.190 nan 0.000 0.434 55 T N 4.607 119.132 114.554 -0.048 0.000 2.809 55 T HA 0.761 5.110 4.350 -0.001 0.000 0.296 55 T C -0.331 174.344 174.700 -0.042 0.000 1.015 55 T CA -0.055 62.023 62.100 -0.036 0.000 0.954 55 T CB 0.473 69.326 68.868 -0.026 0.000 0.950 55 T HN 1.005 nan 8.240 nan 0.000 0.450 56 I N -0.347 120.200 120.570 -0.038 0.000 3.074 56 I HA 0.832 5.002 4.170 -0.001 0.000 0.310 56 I C -1.083 175.026 176.117 -0.014 0.000 1.153 56 I CA -1.473 59.799 61.300 -0.046 0.000 0.993 56 I CB 1.956 39.902 38.000 -0.091 0.000 1.237 56 I HN 0.160 nan 8.210 nan 0.000 0.443 57 V N 4.301 124.203 119.914 -0.020 0.000 2.333 57 V HA 0.286 4.405 4.120 -0.001 0.000 0.274 57 V C -1.612 174.482 176.094 -0.001 0.000 1.028 57 V CA -1.181 61.122 62.300 0.004 0.000 0.851 57 V CB 0.860 32.692 31.823 0.015 0.000 1.000 57 V HN 0.730 nan 8.190 nan 0.000 0.456 58 P HA -0.109 nan 4.420 nan 0.000 0.215 58 P C 1.708 179.028 177.300 0.033 0.000 1.153 58 P CA 1.472 64.627 63.100 0.092 0.000 0.853 58 P CB 0.239 31.983 31.700 0.074 0.000 0.788 59 G N -0.011 108.783 108.800 -0.010 0.000 2.442 59 G HA2 -0.264 3.695 3.960 -0.001 0.000 0.219 59 G HA3 -0.264 3.695 3.960 -0.001 0.000 0.219 59 G C 1.454 176.195 174.900 -0.265 0.000 1.141 59 G CA 0.669 45.740 45.100 -0.048 0.000 0.763 59 G HN 0.233 nan 8.290 nan 0.000 0.554 60 L N -0.433 120.388 121.223 -0.669 0.000 2.027 60 L HA 0.145 4.484 4.340 -0.001 0.000 0.206 60 L C 2.391 179.187 176.870 -0.124 0.000 1.074 60 L CA 1.484 55.801 54.840 -0.872 0.000 0.745 60 L CB -0.799 40.671 42.059 -0.981 0.000 0.898 60 L HN 0.169 nan 8.230 nan 0.000 0.433 61 F N 0.890 120.746 119.950 -0.157 0.000 2.126 61 F HA -0.242 4.284 4.527 -0.001 0.000 0.299 61 F C 2.466 178.331 175.800 0.109 0.000 1.096 61 F CA 2.086 60.105 58.000 0.031 0.000 1.255 61 F CB -0.629 38.388 39.000 0.028 0.000 0.997 61 F HN 0.173 nan 8.300 nan 0.000 0.479 62 K N 1.344 121.712 120.400 -0.053 0.000 2.057 62 K HA -0.152 4.168 4.320 -0.001 0.000 0.207 62 K C 2.123 178.671 176.600 -0.087 0.000 1.049 62 K CA 2.118 58.305 56.287 -0.168 0.000 0.931 62 K CB -1.083 31.339 32.500 -0.129 0.000 0.714 62 K HN 0.552 nan 8.250 nan 0.000 0.440 63 I N -1.820 118.741 120.570 -0.014 0.000 2.361 63 I HA -0.140 4.029 4.170 -0.001 0.000 0.251 63 I C 2.153 178.277 176.117 0.011 0.000 1.133 63 I CA 1.300 62.593 61.300 -0.011 0.000 1.413 63 I CB -0.524 37.504 38.000 0.048 0.000 1.073 63 I HN 0.022 nan 8.210 nan 0.000 0.424 64 F N 2.848 122.838 119.950 0.065 0.000 2.075 64 F HA -0.217 4.309 4.527 -0.001 0.000 0.297 64 F C 2.081 177.925 175.800 0.073 0.000 1.113 64 F CA 2.111 60.250 58.000 0.230 0.000 1.218 64 F CB -0.666 38.542 39.000 0.347 0.000 0.984 64 F HN 0.194 nan 8.300 nan 0.000 0.472 65 D N 0.080 120.367 120.400 -0.189 0.000 2.133 65 D HA -0.225 4.415 4.640 -0.001 0.000 0.195 65 D C 2.038 178.179 176.300 -0.265 0.000 0.997 65 D CA 1.805 55.597 54.000 -0.346 0.000 0.840 65 D CB -0.204 40.360 40.800 -0.394 0.000 0.947 65 D HN 0.363 nan 8.370 nan 0.000 0.452 66 E N -0.069 120.019 120.200 -0.186 0.000 2.085 66 E HA -0.162 4.187 4.350 -0.001 0.000 0.194 66 E C 2.309 178.839 176.600 -0.116 0.000 0.994 66 E CA 0.675 56.992 56.400 -0.138 0.000 0.801 66 E CB -0.190 29.450 29.700 -0.100 0.000 0.743 66 E HN 0.469 nan 8.360 nan 0.000 0.453 67 I N 0.959 121.460 120.570 -0.115 0.000 2.252 67 I HA -0.196 3.974 4.170 -0.001 0.000 0.245 67 I C 2.597 178.652 176.117 -0.104 0.000 1.102 67 I CA 0.780 62.054 61.300 -0.043 0.000 1.385 67 I CB -1.209 36.816 38.000 0.041 0.000 1.064 67 I HN 0.083 nan 8.210 nan 0.000 0.414 68 L N 0.160 121.224 121.223 -0.265 0.000 2.012 68 L HA -0.199 4.140 4.340 -0.001 0.000 0.210 68 L C 2.672 179.447 176.870 -0.158 0.000 1.073 68 L CA 1.076 55.758 54.840 -0.264 0.000 0.748 68 L CB -0.616 41.187 42.059 -0.428 0.000 0.891 68 L HN 0.049 nan 8.230 nan 0.000 0.431 69 V N -0.142 119.679 119.914 -0.156 0.000 2.427 69 V HA -0.233 3.886 4.120 -0.001 0.000 0.248 69 V C 2.185 178.229 176.094 -0.083 0.000 1.051 69 V CA 1.535 63.766 62.300 -0.116 0.000 1.048 69 V CB -0.718 31.030 31.823 -0.124 0.000 0.666 69 V HN 0.466 nan 8.190 nan 0.000 0.456 70 N N 0.825 119.484 118.700 -0.069 0.000 2.104 70 N HA -0.161 4.578 4.740 -0.001 0.000 0.190 70 N C 1.875 177.377 175.510 -0.013 0.000 1.024 70 N CA 1.784 54.814 53.050 -0.034 0.000 0.853 70 N CB -0.509 37.980 38.487 0.004 0.000 1.008 70 N HN 0.508 nan 8.380 nan 0.000 0.424 71 A N 0.693 123.505 122.820 -0.013 0.000 1.898 71 A HA 0.085 4.404 4.320 -0.001 0.000 0.216 71 A C 2.350 179.922 177.584 -0.020 0.000 1.181 71 A CA 1.815 53.851 52.037 -0.001 0.000 0.620 71 A CB -0.870 18.129 19.000 -0.001 0.000 0.819 71 A HN 0.306 nan 8.150 nan 0.000 0.442 72 A N 0.168 122.960 122.820 -0.046 0.000 1.908 72 A HA -0.211 4.108 4.320 -0.001 0.000 0.218 72 A C 1.723 179.278 177.584 -0.048 0.000 1.181 72 A CA 1.944 53.947 52.037 -0.056 0.000 0.627 72 A CB -0.653 18.299 19.000 -0.080 0.000 0.818 72 A HN 0.447 nan 8.150 nan 0.000 0.445 73 D N -0.429 119.943 120.400 -0.047 0.000 2.221 73 D HA -0.145 4.495 4.640 -0.001 0.000 0.204 73 D C 1.631 177.913 176.300 -0.031 0.000 0.982 73 D CA 1.317 55.291 54.000 -0.044 0.000 0.857 73 D CB -0.424 40.346 40.800 -0.050 0.000 0.934 73 D HN 0.515 nan 8.370 nan 0.000 0.475 74 N N 0.392 119.081 118.700 -0.019 0.000 2.381 74 N HA -0.140 4.599 4.740 -0.001 0.000 0.182 74 N C 1.457 176.963 175.510 -0.007 0.000 1.025 74 N CA 0.704 53.750 53.050 -0.006 0.000 0.888 74 N CB 0.086 38.579 38.487 0.011 0.000 0.965 74 N HN -0.056 nan 8.380 nan 0.000 0.438 75 K N -0.394 119.997 120.400 -0.014 0.000 2.217 75 K HA 0.052 4.372 4.320 -0.001 0.000 0.202 75 K C 1.419 178.009 176.600 -0.017 0.000 1.051 75 K CA 0.744 57.023 56.287 -0.014 0.000 0.952 75 K CB -0.135 32.352 32.500 -0.022 0.000 0.736 75 K HN -0.013 nan 8.250 nan 0.000 0.453 76 V N 0.711 120.611 119.914 -0.024 0.000 2.323 76 V HA -0.157 3.962 4.120 -0.001 0.000 0.244 76 V C 2.503 178.587 176.094 -0.017 0.000 1.041 76 V CA 2.061 64.346 62.300 -0.024 0.000 1.025 76 V CB -0.561 31.243 31.823 -0.032 0.000 0.656 76 V HN 0.387 nan 8.190 nan 0.000 0.451 77 R N 0.382 120.872 120.500 -0.016 0.000 2.091 77 R HA -0.166 4.174 4.340 -0.001 0.000 0.238 77 R C 0.618 176.915 176.300 -0.004 0.000 1.136 77 R CA 1.996 58.089 56.100 -0.011 0.000 0.959 77 R CB 0.011 30.304 30.300 -0.012 0.000 0.856 77 R HN 0.516 nan 8.270 nan 0.000 0.437 78 D N -1.297 119.102 120.400 -0.002 0.000 2.346 78 D HA 0.218 4.857 4.640 -0.001 0.000 0.255 78 D C -2.197 174.106 176.300 0.005 0.000 1.276 78 D CA -2.353 51.649 54.000 0.004 0.000 0.941 78 D CB 1.831 42.637 40.800 0.010 0.000 1.199 78 D HN -0.080 nan 8.370 nan 0.000 0.537 79 P HA -0.073 nan 4.420 nan 0.000 0.226 79 P C 0.433 177.738 177.300 0.008 0.000 1.146 79 P CA 0.674 63.776 63.100 0.003 0.000 0.773 79 P CB 0.152 31.854 31.700 0.003 0.000 0.772 83 R N 1.372 121.904 120.500 0.055 0.000 2.564 83 R HA 0.525 4.864 4.340 -0.001 0.000 0.284 83 R C -1.695 174.648 176.300 0.072 0.000 1.031 83 R CA -0.466 55.685 56.100 0.085 0.000 0.904 83 R CB 1.351 31.681 30.300 0.050 0.000 1.199 83 R HN -0.042 nan 8.270 nan 0.000 0.443 84 I N 3.203 123.834 120.570 0.101 0.000 2.436 84 I HA 0.310 4.479 4.170 -0.001 0.000 0.289 84 I C -0.760 175.430 176.117 0.122 0.000 1.010 84 I CA -0.754 60.592 61.300 0.076 0.000 1.098 84 I CB 2.150 40.170 38.000 0.033 0.000 1.266 84 I HN 0.460 nan 8.210 nan 0.000 0.434 85 D N 6.165 126.612 120.400 0.078 0.000 2.278 85 D HA 0.414 5.054 4.640 -0.001 0.000 0.245 85 D C -0.881 175.461 176.300 0.071 0.000 1.052 85 D CA -0.228 53.820 54.000 0.079 0.000 0.834 85 D CB 3.161 43.967 40.800 0.010 0.000 1.194 85 D HN 0.067 nan 8.370 nan 0.000 0.481 86 V N 3.600 123.563 119.914 0.081 0.000 2.407 86 V HA 0.273 4.392 4.120 -0.001 0.000 0.291 86 V C -0.336 175.775 176.094 0.028 0.000 1.018 86 V CA -0.872 61.488 62.300 0.099 0.000 0.842 86 V CB 1.558 33.490 31.823 0.182 0.000 0.996 86 V HN 0.399 nan 8.190 nan 0.000 0.426 87 N N 5.396 124.070 118.700 -0.043 0.000 2.479 87 N HA 0.491 5.230 4.740 -0.001 0.000 0.261 87 N C -0.995 174.273 175.510 -0.404 0.000 0.979 87 N CA -0.502 52.417 53.050 -0.218 0.000 0.930 87 N CB 2.266 40.626 38.487 -0.210 0.000 1.172 87 N HN 0.405 nan 8.380 nan 0.000 0.499 88 I N 3.046 123.386 120.570 -0.383 0.000 2.312 88 I HA 0.155 4.324 4.170 -0.001 0.000 0.290 88 I C 0.136 176.005 176.117 -0.413 0.000 1.008 88 I CA -0.432 60.652 61.300 -0.360 0.000 1.226 88 I CB 0.315 38.179 38.000 -0.227 0.000 1.371 88 I HN 0.257 nan 8.210 nan 0.000 0.468 89 H N 6.160 125.190 119.070 -0.067 0.000 2.741 89 H HA 0.381 4.936 4.556 -0.001 0.000 0.261 89 H C 1.081 176.384 175.328 -0.043 0.000 1.365 89 H CA -0.296 55.721 56.048 -0.052 0.000 1.266 89 H CB 1.055 30.781 29.762 -0.060 0.000 1.485 89 H HN 0.731 nan 8.280 nan 0.000 0.529 90 A N 3.033 125.884 122.820 0.051 0.000 1.865 90 A HA -0.264 4.056 4.320 -0.001 0.000 0.217 90 A C 2.452 180.087 177.584 0.086 0.000 1.191 90 A CA 2.160 54.223 52.037 0.044 0.000 0.623 90 A CB -0.694 18.318 19.000 0.020 0.000 0.826 90 A HN 0.702 nan 8.150 nan 0.000 0.444 91 E N -0.032 120.210 120.200 0.069 0.000 2.118 91 E HA -0.240 4.109 4.350 -0.001 0.000 0.195 91 E C 1.591 178.215 176.600 0.039 0.000 0.992 91 E CA 1.761 58.198 56.400 0.062 0.000 0.804 91 E CB -0.723 28.997 29.700 0.033 0.000 0.741 91 E HN 0.854 nan 8.360 nan 0.000 0.458 92 E N 0.021 120.211 120.200 -0.018 0.000 2.465 92 E HA 0.040 4.389 4.350 -0.001 0.000 0.191 92 E C -0.175 176.188 176.600 -0.395 0.000 1.053 92 E CA 0.308 56.602 56.400 -0.175 0.000 0.869 92 E CB -0.123 29.510 29.700 -0.112 0.000 0.977 92 E HN 0.825 nan 8.360 nan 0.000 0.483 93 H N -0.795 118.289 119.070 0.023 0.000 2.151 93 H HA -0.170 4.385 4.556 -0.001 0.000 0.329 93 H C -0.887 174.421 175.328 -0.033 0.000 0.945 93 H CA 0.794 56.840 56.048 -0.003 0.000 1.093 93 H CB -2.576 27.198 29.762 0.020 0.000 1.568 93 H HN -0.103 nan 8.280 nan 0.000 0.360 94 T N 1.885 116.414 114.554 -0.042 0.000 2.823 94 T HA 0.684 5.033 4.350 -0.001 0.000 0.279 94 T C 0.872 175.463 174.700 -0.182 0.000 0.998 94 T CA -0.651 61.396 62.100 -0.088 0.000 0.994 94 T CB 1.723 70.589 68.868 -0.004 0.000 0.960 94 T HN 0.328 nan 8.240 nan 0.000 0.448 95 I N 2.368 122.705 120.570 -0.390 0.000 2.436 95 I HA 0.404 4.573 4.170 -0.001 0.000 0.289 95 I C 0.018 175.987 176.117 -0.246 0.000 1.010 95 I CA -0.640 60.410 61.300 -0.417 0.000 1.098 95 I CB 1.933 39.526 38.000 -0.679 0.000 1.266 95 I HN 0.532 nan 8.210 nan 0.000 0.434 96 E N 6.169 126.320 120.200 -0.082 0.000 2.187 96 E HA 0.634 4.983 4.350 -0.001 0.000 0.268 96 E C -1.774 174.880 176.600 0.090 0.000 0.896 96 E CA -0.636 55.775 56.400 0.018 0.000 0.766 96 E CB 2.225 31.933 29.700 0.013 0.000 1.142 96 E HN 0.368 nan 8.360 nan 0.000 0.408 97 V N 4.984 124.972 119.914 0.122 0.000 2.443 97 V HA 0.385 4.504 4.120 -0.001 0.000 0.293 97 V C -0.400 175.741 176.094 0.078 0.000 1.021 97 V CA -0.774 61.594 62.300 0.113 0.000 0.848 97 V CB 1.587 33.488 31.823 0.130 0.000 0.998 97 V HN 0.589 nan 8.190 nan 0.000 0.424 98 K N 5.217 125.655 120.400 0.062 0.000 2.324 98 K HA 0.583 4.902 4.320 -0.001 0.000 0.253 98 K C -0.951 175.686 176.600 0.061 0.000 0.932 98 K CA -0.611 55.714 56.287 0.064 0.000 0.799 98 K CB 1.648 34.163 32.500 0.025 0.000 1.154 98 K HN 0.917 nan 8.250 nan 0.000 0.425 99 N N 2.602 121.353 118.700 0.085 0.000 2.229 99 N HA 0.183 4.923 4.740 -0.001 0.000 0.298 99 N C -1.114 174.458 175.510 0.104 0.000 1.114 99 N CA -0.659 52.435 53.050 0.073 0.000 0.776 99 N CB 2.002 40.523 38.487 0.056 0.000 1.501 99 N HN 0.636 nan 8.380 nan 0.000 0.474 100 D N 0.691 121.140 120.400 0.081 0.000 2.496 100 D HA 0.506 5.145 4.640 -0.001 0.000 0.283 100 D C 1.011 177.357 176.300 0.076 0.000 1.214 100 D CA 0.525 54.586 54.000 0.101 0.000 1.089 100 D CB -0.307 40.537 40.800 0.073 0.000 1.141 100 D HN 0.863 nan 8.370 nan 0.000 0.580 101 G N -0.502 108.339 108.800 0.069 0.000 2.698 101 G HA2 -0.229 3.730 3.960 -0.001 0.000 0.233 101 G HA3 -0.229 3.730 3.960 -0.001 0.000 0.233 101 G C -0.352 174.574 174.900 0.043 0.000 1.352 101 G CA 0.014 45.143 45.100 0.049 0.000 0.879 101 G HN 0.778 nan 8.290 nan 0.000 0.567 102 K N 0.604 121.019 120.400 0.025 0.000 2.484 102 K HA 0.398 4.717 4.320 -0.001 0.000 0.280 102 K C 1.364 177.961 176.600 -0.006 0.000 1.013 102 K CA 0.708 57.001 56.287 0.010 0.000 1.029 102 K CB -0.123 32.381 32.500 0.007 0.000 0.902 102 K HN 0.968 nan 8.250 nan 0.000 0.481 103 G N 3.184 111.959 108.800 -0.041 0.000 2.510 103 G HA2 0.276 4.236 3.960 -0.001 0.000 0.280 103 G HA3 0.276 4.236 3.960 -0.001 0.000 0.280 103 G C -0.172 174.696 174.900 -0.054 0.000 1.386 103 G CA -0.791 44.259 45.100 -0.084 0.000 1.047 103 G HN 0.542 nan 8.290 nan 0.000 0.527 104 I N 1.038 121.565 120.570 -0.070 0.000 2.395 104 I HA 0.223 4.392 4.170 -0.001 0.000 0.289 104 I C -2.171 173.902 176.117 -0.073 0.000 1.023 104 I CA -2.253 59.025 61.300 -0.036 0.000 1.350 104 I CB 0.851 38.850 38.000 -0.002 0.000 1.409 104 I HN 0.102 nan 8.210 nan 0.000 0.507 105 P HA 0.159 nan 4.420 nan 0.000 0.263 105 P C -0.140 177.144 177.300 -0.028 0.000 1.195 105 P CA 0.170 63.259 63.100 -0.018 0.000 0.762 105 P CB 0.300 32.008 31.700 0.013 0.000 0.799 106 I N 3.837 124.399 120.570 -0.013 0.000 2.241 106 I HA 0.212 4.381 4.170 -0.001 0.000 0.294 106 I C 0.788 177.038 176.117 0.223 0.000 1.145 106 I CA 0.366 61.688 61.300 0.036 0.000 1.261 106 I CB -0.324 37.686 38.000 0.017 0.000 1.475 106 I HN 0.339 nan 8.210 nan 0.000 0.533 107 E N 5.335 125.712 120.200 0.295 0.000 2.352 107 E HA 0.346 4.696 4.350 -0.001 0.000 0.280 107 E C -1.111 175.531 176.600 0.070 0.000 0.930 107 E CA -0.822 55.690 56.400 0.185 0.000 0.765 107 E CB 2.322 32.069 29.700 0.079 0.000 1.219 107 E HN 0.185 nan 8.360 nan 0.000 0.434 108 I N 3.765 124.232 120.570 -0.172 0.000 2.533 108 I HA 0.021 4.191 4.170 -0.001 0.000 0.284 108 I C 0.691 176.764 176.117 -0.072 0.000 1.109 108 I CA 0.112 61.252 61.300 -0.265 0.000 1.412 108 I CB 0.170 37.964 38.000 -0.343 0.000 1.396 108 I HN 0.549 nan 8.210 nan 0.000 0.543 109 H N 7.737 126.755 119.070 -0.087 0.000 2.886 109 H HA -0.009 4.546 4.556 -0.001 0.000 0.329 109 H C 1.087 176.383 175.328 -0.055 0.000 1.044 109 H CA 0.081 56.099 56.048 -0.049 0.000 1.456 109 H CB 0.975 30.718 29.762 -0.032 0.000 1.464 109 H HN 0.587 nan 8.280 nan 0.000 0.573 110 N N 4.652 123.105 118.700 -0.411 0.000 2.381 110 N HA -0.160 4.579 4.740 -0.001 0.000 0.182 110 N C 1.322 176.776 175.510 -0.094 0.000 1.025 110 N CA 0.990 53.909 53.050 -0.219 0.000 0.888 110 N CB 0.029 38.379 38.487 -0.228 0.000 0.965 110 N HN 0.568 nan 8.380 nan 0.000 0.438 111 K N 0.052 120.461 120.400 0.015 0.000 2.172 111 K HA 0.106 4.425 4.320 -0.001 0.000 0.203 111 K C 1.300 178.000 176.600 0.166 0.000 1.040 111 K CA 0.291 56.668 56.287 0.149 0.000 0.974 111 K CB 0.278 32.910 32.500 0.219 0.000 0.857 111 K HN -0.120 nan 8.250 nan 0.000 0.464 112 E N 1.159 121.534 120.200 0.291 0.000 2.371 112 E HA -0.033 4.316 4.350 -0.001 0.000 0.194 112 E C -0.128 176.486 176.600 0.023 0.000 1.012 112 E CA 0.259 56.682 56.400 0.039 0.000 0.860 112 E CB -0.031 29.581 29.700 -0.147 0.000 0.811 112 E HN 0.317 nan 8.360 nan 0.000 0.502 113 N N 0.363 119.097 118.700 0.058 0.000 2.741 113 N HA -0.198 4.541 4.740 -0.001 0.000 0.250 113 N C 0.006 175.505 175.510 -0.017 0.000 1.115 113 N CA 1.275 54.326 53.050 0.001 0.000 0.724 113 N CB -2.024 36.459 38.487 -0.006 0.000 1.090 113 N HN 0.425 nan 8.380 nan 0.000 0.558 114 I N -5.361 115.211 120.570 0.004 0.000 3.074 114 I HA 0.509 4.679 4.170 -0.001 0.000 0.310 114 I C 0.023 176.168 176.117 0.047 0.000 1.153 114 I CA -1.319 60.000 61.300 0.031 0.000 0.993 114 I CB 1.034 39.099 38.000 0.109 0.000 1.237 114 I HN -0.248 nan 8.210 nan 0.000 0.443 115 Y N 2.193 122.591 120.300 0.162 0.000 2.702 115 Y HA 0.141 4.691 4.550 -0.001 0.000 0.336 115 Y C 1.457 177.430 175.900 0.123 0.000 1.235 115 Y CA 0.429 58.626 58.100 0.162 0.000 1.492 115 Y CB 0.470 39.103 38.460 0.289 0.000 1.308 115 Y HN 0.495 nan 8.280 nan 0.000 0.589 116 I N 3.976 124.685 120.570 0.232 0.000 2.163 116 I HA -0.259 3.910 4.170 -0.001 0.000 0.243 116 I C -0.719 175.488 176.117 0.149 0.000 1.085 116 I CA 1.151 62.538 61.300 0.146 0.000 1.347 116 I CB -1.289 36.779 38.000 0.114 0.000 1.044 116 I HN 0.573 nan 8.210 nan 0.000 0.408 117 P HA -0.182 nan 4.420 nan 0.000 0.215 117 P C 0.741 178.356 177.300 0.525 0.000 1.153 117 P CA 1.201 64.426 63.100 0.209 0.000 0.853 117 P CB -0.039 31.450 31.700 -0.352 0.000 0.788 121 F N 2.286 122.213 119.950 -0.040 0.000 2.724 121 F HA 0.570 5.096 4.527 -0.001 0.000 0.306 121 F C 2.001 177.418 175.800 -0.639 0.000 1.100 121 F CA 0.854 58.686 58.000 -0.280 0.000 1.255 121 F CB 1.407 40.304 39.000 -0.171 0.000 1.072 121 F HN 0.172 nan 8.300 nan 0.000 0.589 122 G N -1.953 106.766 108.800 -0.136 0.000 3.342 122 G HA2 0.145 4.104 3.960 -0.001 0.000 0.252 122 G HA3 0.145 4.104 3.960 -0.001 0.000 0.252 122 G C -0.074 174.655 174.900 -0.285 0.000 1.011 122 G CA 0.088 45.071 45.100 -0.196 0.000 0.869 122 G HN 0.198 nan 8.290 nan 0.000 0.514 123 H N 0.131 119.163 119.070 -0.063 0.000 2.667 123 H HA 0.331 4.886 4.556 -0.001 0.000 0.353 123 H C -0.389 174.857 175.328 -0.138 0.000 1.072 123 H CA -0.643 55.364 56.048 -0.068 0.000 1.214 123 H CB 2.366 32.109 29.762 -0.031 0.000 1.600 123 H HN -0.073 nan 8.280 nan 0.000 0.527 124 L N 3.280 124.478 121.223 -0.041 0.000 2.483 124 L HA -0.059 4.280 4.340 -0.001 0.000 0.275 124 L C 0.894 177.656 176.870 -0.179 0.000 1.220 124 L CA 0.038 54.790 54.840 -0.147 0.000 0.833 124 L CB 0.289 42.292 42.059 -0.094 0.000 1.102 124 L HN 0.678 nan 8.230 nan 0.000 0.490 125 L N 1.032 122.036 121.223 -0.366 0.000 3.512 125 L HA -0.179 4.160 4.340 -0.001 0.000 0.446 125 L C -0.292 176.597 176.870 0.032 0.000 1.290 125 L CA 0.301 55.015 54.840 -0.210 0.000 0.871 125 L CB -2.035 39.914 42.059 -0.183 0.000 1.767 125 L HN 0.867 nan 8.230 nan 0.000 0.855 126 T N -3.230 111.281 114.554 -0.073 0.000 2.848 126 T HA 0.770 5.119 4.350 -0.001 0.000 0.285 126 T C -0.307 174.203 174.700 -0.316 0.000 0.995 126 T CA -0.292 61.744 62.100 -0.107 0.000 0.970 126 T CB 2.630 71.419 68.868 -0.131 0.000 0.976 126 T HN 0.223 nan 8.240 nan 0.000 0.441 127 S N 0.658 116.080 115.700 -0.462 0.000 2.552 127 S HA 0.520 4.989 4.470 -0.001 0.000 0.272 127 S C 0.552 174.878 174.600 -0.458 0.000 1.150 127 S CA -0.142 57.672 58.200 -0.644 0.000 0.849 127 S CB 1.356 63.813 63.200 -1.238 0.000 1.113 127 S HN 1.129 nan 8.310 nan 0.000 0.458 128 S N 1.882 117.390 115.700 -0.320 0.000 2.575 128 S HA 0.215 4.685 4.470 -0.001 0.000 0.215 128 S C 0.380 174.875 174.600 -0.175 0.000 0.966 128 S CA -0.195 57.893 58.200 -0.188 0.000 0.911 128 S CB -0.342 62.787 63.200 -0.118 0.000 0.780 128 S HN 0.598 nan 8.310 nan 0.000 0.514 129 N N 0.659 119.186 118.700 -0.288 0.000 2.273 129 N HA 0.206 4.945 4.740 -0.001 0.000 0.231 129 N C -0.595 174.887 175.510 -0.047 0.000 1.134 129 N CA -0.012 52.941 53.050 -0.162 0.000 0.856 129 N CB 0.155 38.555 38.487 -0.145 0.000 1.068 129 N HN 0.364 nan 8.380 nan 0.000 0.510 130 Y N 0.359 120.648 120.300 -0.019 0.000 2.482 130 Y HA 0.141 4.690 4.550 -0.001 0.000 0.270 130 Y C 0.672 176.567 175.900 -0.007 0.000 1.152 130 Y CA -0.555 57.536 58.100 -0.015 0.000 1.292 130 Y CB 0.167 38.612 38.460 -0.025 0.000 1.070 130 Y HN -0.063 nan 8.280 nan 0.000 0.528 131 D N 0.386 120.867 120.400 0.133 0.000 2.467 131 D HA 0.099 4.738 4.640 -0.001 0.000 0.220 131 D C -0.091 176.242 176.300 0.055 0.000 1.103 131 D CA -0.000 54.046 54.000 0.078 0.000 0.886 131 D CB 0.407 41.240 40.800 0.054 0.000 1.025 131 D HN 0.003 nan 8.370 nan 0.000 0.514 132 D N 2.055 122.487 120.400 0.053 0.000 2.349 132 D HA -0.037 4.603 4.640 -0.001 0.000 0.224 132 D C 0.847 177.163 176.300 0.026 0.000 1.029 132 D CA 0.101 54.124 54.000 0.040 0.000 0.879 132 D CB 0.428 41.253 40.800 0.041 0.000 0.906 132 D HN 0.420 nan 8.370 nan 0.000 0.528 133 D N 0.514 120.929 120.400 0.024 0.000 2.219 133 D HA -0.095 4.545 4.640 -0.001 0.000 0.205 133 D C 0.764 177.073 176.300 0.016 0.000 0.970 133 D CA 0.707 54.718 54.000 0.017 0.000 0.851 133 D CB 0.190 40.999 40.800 0.016 0.000 0.943 133 D HN 0.328 nan 8.370 nan 0.000 0.488 134 E N 1.243 121.452 120.200 0.017 0.000 2.259 134 E HA 0.054 4.403 4.350 -0.001 0.000 0.281 134 E C -0.426 176.182 176.600 0.013 0.000 1.027 134 E CA -0.594 55.814 56.400 0.013 0.000 0.838 134 E CB 0.613 30.319 29.700 0.010 0.000 1.066 134 E HN -0.230 nan 8.360 nan 0.000 0.401 135 K N 4.269 124.675 120.400 0.011 0.000 2.273 135 K HA 0.249 4.568 4.320 -0.001 0.000 0.287 135 K C -0.627 175.976 176.600 0.004 0.000 1.089 135 K CA -0.151 56.142 56.287 0.011 0.000 0.909 135 K CB 0.681 33.191 32.500 0.015 0.000 1.123 135 K HN 0.320 nan 8.250 nan 0.000 0.473 136 K N 0.321 120.721 120.400 0.000 0.000 2.156 136 K HA 0.316 4.635 4.320 -0.001 0.000 0.250 136 K C 0.722 177.311 176.600 -0.018 0.000 0.955 136 K CA -0.802 55.479 56.287 -0.009 0.000 0.855 136 K CB 1.731 34.224 32.500 -0.011 0.000 1.101 136 K HN 0.252 nan 8.250 nan 0.000 0.434 137 V N -1.949 117.947 119.914 -0.030 0.000 3.043 137 V HA 0.107 4.226 4.120 -0.001 0.000 0.357 137 V C 0.193 176.258 176.094 -0.049 0.000 1.372 137 V CA -0.596 61.675 62.300 -0.049 0.000 1.214 137 V CB -0.659 31.124 31.823 -0.067 0.000 1.224 137 V HN 0.823 nan 8.190 nan 0.000 0.507 138 T N -2.153 112.379 114.554 -0.035 0.000 2.898 138 T HA 0.473 4.822 4.350 -0.001 0.000 0.301 138 T C 1.464 176.150 174.700 -0.023 0.000 1.049 138 T CA 0.395 62.473 62.100 -0.037 0.000 1.095 138 T CB 1.519 70.363 68.868 -0.040 0.000 0.976 138 T HN 0.432 nan 8.240 nan 0.000 0.539 139 G N 0.677 109.457 108.800 -0.033 0.000 2.430 139 G HA2 0.301 4.261 3.960 -0.001 0.000 0.216 139 G HA3 0.301 4.261 3.960 -0.001 0.000 0.216 139 G C 0.822 175.708 174.900 -0.023 0.000 1.146 139 G CA -0.029 45.057 45.100 -0.024 0.000 0.793 139 G HN 1.104 nan 8.290 nan 0.000 0.537 140 G N -0.530 108.243 108.800 -0.045 0.000 2.398 140 G HA2 0.427 4.387 3.960 -0.001 0.000 0.246 140 G HA3 0.427 4.387 3.960 -0.001 0.000 0.246 140 G C 0.596 175.481 174.900 -0.025 0.000 1.289 140 G CA -0.394 44.671 45.100 -0.057 0.000 0.869 140 G HN 0.143 nan 8.290 nan 0.000 0.543 141 R N 1.298 121.799 120.500 0.001 0.000 2.716 141 R HA 0.081 4.420 4.340 -0.001 0.000 0.186 141 R C 1.171 177.532 176.300 0.103 0.000 0.830 141 R CA 0.009 56.147 56.100 0.064 0.000 1.059 141 R CB 0.027 30.415 30.300 0.146 0.000 1.531 141 R HN 0.537 nan 8.270 nan 0.000 0.633 142 N N 0.274 119.048 118.700 0.123 0.000 2.294 142 N HA 0.064 4.803 4.740 -0.001 0.000 0.186 142 N C 0.696 176.320 175.510 0.191 0.000 1.107 142 N CA 1.059 54.270 53.050 0.269 0.000 0.884 142 N CB 1.186 39.894 38.487 0.368 0.000 1.030 142 N HN 0.357 nan 8.380 nan 0.000 0.482 143 G N 0.797 109.565 108.800 -0.054 0.000 2.182 143 G HA2 -0.298 3.661 3.960 -0.001 0.000 0.248 143 G HA3 -0.298 3.661 3.960 -0.001 0.000 0.248 143 G C 0.201 174.960 174.900 -0.235 0.000 1.042 143 G CA 0.367 45.340 45.100 -0.212 0.000 0.775 143 G HN 0.430 nan 8.290 nan 0.000 0.501 144 Y N -0.911 119.365 120.300 -0.040 0.000 2.607 144 Y HA 0.281 4.831 4.550 -0.001 0.000 0.276 144 Y C 2.834 178.681 175.900 -0.089 0.000 1.117 144 Y CA 0.928 59.009 58.100 -0.032 0.000 1.273 144 Y CB -0.118 38.372 38.460 0.050 0.000 1.282 144 Y HN 0.257 nan 8.280 nan 0.000 0.514 145 G N 0.649 109.487 108.800 0.063 0.000 2.529 145 G HA2 -0.384 3.575 3.960 -0.001 0.000 0.219 145 G HA3 -0.384 3.575 3.960 -0.001 0.000 0.219 145 G C 1.840 176.700 174.900 -0.067 0.000 1.177 145 G CA 1.465 46.558 45.100 -0.012 0.000 0.773 145 G HN 0.438 nan 8.290 nan 0.000 0.573 146 A N 0.231 122.972 122.820 -0.132 0.000 1.930 146 A HA 0.044 4.363 4.320 -0.001 0.000 0.217 146 A C 2.351 179.762 177.584 -0.290 0.000 1.175 146 A CA 2.229 54.184 52.037 -0.137 0.000 0.627 146 A CB -0.268 18.574 19.000 -0.263 0.000 0.815 146 A HN 0.327 nan 8.150 nan 0.000 0.443 147 K N -0.074 120.158 120.400 -0.280 0.000 2.103 147 K HA 0.133 4.452 4.320 -0.001 0.000 0.204 147 K C 1.712 178.176 176.600 -0.225 0.000 1.052 147 K CA 0.784 56.873 56.287 -0.331 0.000 0.945 147 K CB -0.439 31.921 32.500 -0.234 0.000 0.722 147 K HN 0.491 nan 8.250 nan 0.000 0.443 148 L N -0.023 121.163 121.223 -0.062 0.000 2.042 148 L HA -0.282 4.057 4.340 -0.001 0.000 0.210 148 L C 2.528 179.457 176.870 0.099 0.000 1.076 148 L CA 1.149 56.034 54.840 0.076 0.000 0.749 148 L CB -0.625 41.506 42.059 0.121 0.000 0.893 148 L HN 0.347 nan 8.230 nan 0.000 0.432 149 C N 0.332 119.597 119.300 -0.058 0.000 2.413 149 C HA -0.198 4.261 4.460 -0.001 0.000 0.276 149 C C 2.825 177.733 174.990 -0.137 0.000 1.236 149 C CA 1.480 60.437 59.018 -0.101 0.000 1.735 149 C CB -0.989 26.628 27.740 -0.206 0.000 2.031 149 C HN 0.601 nan 8.230 nan 0.000 0.474 150 N N 0.750 119.117 118.700 -0.556 0.000 2.036 150 N HA -0.106 4.633 4.740 -0.001 0.000 0.195 150 N C 1.557 176.896 175.510 -0.285 0.000 1.037 150 N CA 2.143 54.752 53.050 -0.736 0.000 0.855 150 N CB -0.609 37.131 38.487 -1.246 0.000 1.033 150 N HN 0.636 nan 8.380 nan 0.000 0.423 151 I N -0.620 119.786 120.570 -0.274 0.000 2.264 151 I HA -0.242 3.927 4.170 -0.001 0.000 0.248 151 I C 0.761 176.650 176.117 -0.381 0.000 1.111 151 I CA 0.989 62.099 61.300 -0.318 0.000 1.382 151 I CB -0.222 37.555 38.000 -0.371 0.000 1.060 151 I HN 0.023 nan 8.210 nan 0.000 0.418 152 F N 0.193 120.121 119.950 -0.038 0.000 2.660 152 F HA 0.209 4.736 4.527 -0.001 0.000 0.297 152 F C 0.765 176.670 175.800 0.175 0.000 1.132 152 F CA -0.083 57.936 58.000 0.032 0.000 1.372 152 F CB -0.009 39.066 39.000 0.126 0.000 1.003 152 F HN -0.189 nan 8.300 nan 0.000 0.524 153 S N -0.836 115.019 115.700 0.259 0.000 2.503 153 S HA 0.242 4.711 4.470 -0.001 0.000 0.301 153 S C 1.022 175.771 174.600 0.249 0.000 1.087 153 S CA -0.568 57.848 58.200 0.360 0.000 1.042 153 S CB 1.821 65.324 63.200 0.504 0.000 1.043 153 S HN 0.097 nan 8.310 nan 0.000 0.489 154 T N 1.572 116.283 114.554 0.262 0.000 2.995 154 T HA 0.045 4.394 4.350 -0.001 0.000 0.269 154 T C 0.468 175.306 174.700 0.230 0.000 1.091 154 T CA 0.956 63.178 62.100 0.203 0.000 1.128 154 T CB -0.046 68.938 68.868 0.193 0.000 0.891 154 T HN 0.657 nan 8.240 nan 0.000 0.492 155 E N -0.458 119.921 120.200 0.298 0.000 2.335 155 E HA 0.477 4.826 4.350 -0.001 0.000 0.280 155 E C -2.133 174.732 176.600 0.442 0.000 0.918 155 E CA -0.742 55.849 56.400 0.320 0.000 0.765 155 E CB 1.562 31.398 29.700 0.228 0.000 1.218 155 E HN 0.127 nan 8.360 nan 0.000 0.425 156 F N 5.586 125.718 119.950 0.303 0.000 2.585 156 F HA 0.530 5.056 4.527 -0.001 0.000 0.319 156 F C -1.755 174.265 175.800 0.367 0.000 1.165 156 F CA -0.449 57.742 58.000 0.319 0.000 0.949 156 F CB 0.961 40.097 39.000 0.226 0.000 1.218 156 F HN 0.363 nan 8.300 nan 0.000 0.453 157 I N 7.228 127.759 120.570 -0.065 0.000 2.418 157 I HA 0.385 4.554 4.170 -0.001 0.000 0.287 157 I C -1.261 174.769 176.117 -0.146 0.000 1.008 157 I CA -0.985 60.342 61.300 0.045 0.000 1.104 157 I CB 1.949 39.969 38.000 0.034 0.000 1.264 157 I HN 0.487 nan 8.210 nan 0.000 0.438 158 L N 6.747 128.001 121.223 0.052 0.000 2.282 158 L HA 0.508 4.847 4.340 -0.001 0.000 0.288 158 L C -0.368 176.502 176.870 0.000 0.000 1.033 158 L CA 0.227 55.004 54.840 -0.105 0.000 0.807 158 L CB 1.182 43.124 42.059 -0.194 0.000 1.209 158 L HN 0.650 nan 8.230 nan 0.000 0.423 159 E N 3.276 123.450 120.200 -0.043 0.000 2.234 159 E HA 0.553 4.902 4.350 -0.001 0.000 0.266 159 E C -1.481 175.050 176.600 -0.115 0.000 0.877 159 E CA -0.523 55.875 56.400 -0.004 0.000 0.758 159 E CB 1.820 31.560 29.700 0.066 0.000 1.170 159 E HN 0.650 nan 8.360 nan 0.000 0.415 160 T N 1.661 116.083 114.554 -0.219 0.000 2.853 160 T HA 0.720 5.069 4.350 -0.001 0.000 0.311 160 T C -1.897 172.430 174.700 -0.622 0.000 1.307 160 T CA -0.272 61.542 62.100 -0.476 0.000 1.019 160 T CB 1.449 70.144 68.868 -0.287 0.000 1.264 160 T HN 0.529 nan 8.240 nan 0.000 0.497 161 A N 2.412 124.709 122.820 -0.871 0.000 2.355 161 A HA 0.706 5.025 4.320 -0.001 0.000 0.317 161 A C -1.297 176.051 177.584 -0.393 0.000 1.094 161 A CA -0.565 51.010 52.037 -0.769 0.000 0.764 161 A CB 1.450 19.658 19.000 -1.320 0.000 1.230 161 A HN 0.711 nan 8.150 nan 0.000 0.448 162 D N 2.727 123.000 120.400 -0.212 0.000 2.505 162 D HA 0.383 5.022 4.640 -0.001 0.000 0.250 162 D C -0.057 176.252 176.300 0.015 0.000 1.164 162 D CA -0.462 53.491 54.000 -0.078 0.000 0.870 162 D CB 1.299 42.064 40.800 -0.059 0.000 1.160 162 D HN 0.148 nan 8.370 nan 0.000 0.549 163 L N 3.924 125.174 121.223 0.045 0.000 2.418 163 L HA 0.080 4.419 4.340 -0.001 0.000 0.218 163 L C 1.923 178.830 176.870 0.063 0.000 1.125 163 L CA 0.545 55.439 54.840 0.090 0.000 0.835 163 L CB -1.286 40.831 42.059 0.095 0.000 0.953 163 L HN 0.439 nan 8.230 nan 0.000 0.454 164 N N 0.190 118.916 118.700 0.043 0.000 2.142 164 N HA -0.143 4.597 4.740 -0.001 0.000 0.186 164 N C 1.623 177.159 175.510 0.043 0.000 1.023 164 N CA 1.739 54.811 53.050 0.037 0.000 0.852 164 N CB 0.232 38.735 38.487 0.027 0.000 0.998 164 N HN 0.241 nan 8.380 nan 0.000 0.424 165 V N -4.289 115.655 119.914 0.050 0.000 3.644 165 V HA 0.466 4.585 4.120 -0.001 0.000 0.267 165 V C 1.091 177.228 176.094 0.071 0.000 1.277 165 V CA 0.329 62.665 62.300 0.060 0.000 1.096 165 V CB -0.516 31.349 31.823 0.070 0.000 0.828 165 V HN 0.249 nan 8.190 nan 0.000 0.446 166 G N 0.511 109.364 108.800 0.088 0.000 2.298 166 G HA2 -0.232 3.728 3.960 -0.001 0.000 0.287 166 G HA3 -0.232 3.728 3.960 -0.001 0.000 0.287 166 G C -0.205 174.785 174.900 0.149 0.000 1.075 166 G CA 0.713 45.889 45.100 0.127 0.000 0.960 166 G HN 0.736 nan 8.290 nan 0.000 0.502 167 Q N -1.232 118.645 119.800 0.128 0.000 2.456 167 Q HA 0.644 4.983 4.340 -0.001 0.000 0.283 167 Q C -0.261 175.744 176.000 0.008 0.000 1.084 167 Q CA -0.995 54.868 55.803 0.100 0.000 0.801 167 Q CB 2.208 30.985 28.738 0.065 0.000 1.434 167 Q HN 0.267 nan 8.270 nan 0.000 0.419 168 K N 1.154 121.552 120.400 -0.003 0.000 2.259 168 K HA 0.449 4.769 4.320 -0.001 0.000 0.249 168 K C -1.959 174.623 176.600 -0.030 0.000 0.942 168 K CA -0.520 55.688 56.287 -0.130 0.000 0.816 168 K CB 1.281 33.728 32.500 -0.088 0.000 1.155 168 K HN 0.656 nan 8.250 nan 0.000 0.428 169 Y N 3.064 123.241 120.300 -0.205 0.000 2.346 169 Y HA 0.441 4.990 4.550 -0.001 0.000 0.332 169 Y C -1.733 174.078 175.900 -0.148 0.000 0.985 169 Y CA -0.800 57.191 58.100 -0.182 0.000 1.112 169 Y CB 1.590 39.933 38.460 -0.195 0.000 1.170 169 Y HN 0.228 nan 8.280 nan 0.000 0.447 170 V N 6.555 126.344 119.914 -0.208 0.000 2.483 170 V HA 0.420 4.539 4.120 -0.001 0.000 0.297 170 V C -0.963 174.988 176.094 -0.239 0.000 1.027 170 V CA -0.631 61.599 62.300 -0.116 0.000 0.855 170 V CB 1.638 33.409 31.823 -0.086 0.000 0.995 170 V HN 0.774 nan 8.190 nan 0.000 0.424 171 Q N 3.746 123.497 119.800 -0.082 0.000 2.323 171 Q HA 0.544 4.883 4.340 -0.001 0.000 0.271 171 Q C -1.127 174.856 176.000 -0.029 0.000 1.048 171 Q CA -0.729 54.976 55.803 -0.163 0.000 0.792 171 Q CB 2.327 30.961 28.738 -0.174 0.000 1.280 171 Q HN 0.717 nan 8.270 nan 0.000 0.441 172 K N 4.115 124.467 120.400 -0.079 0.000 2.274 172 K HA 0.359 4.678 4.320 -0.001 0.000 0.262 172 K C -1.352 175.301 176.600 0.088 0.000 0.961 172 K CA -0.500 55.874 56.287 0.145 0.000 0.833 172 K CB 0.995 33.594 32.500 0.166 0.000 1.102 172 K HN 0.545 nan 8.250 nan 0.000 0.436 173 W N 2.864 124.298 121.300 0.224 0.000 2.578 173 W HA 0.369 5.028 4.660 -0.001 0.000 0.346 173 W C -0.062 176.542 176.519 0.141 0.000 1.075 173 W CA -0.610 56.814 57.345 0.131 0.000 1.233 173 W CB 1.821 31.363 29.460 0.137 0.000 1.358 173 W HN 0.592 nan 8.180 nan 0.000 0.574 174 E N 0.604 120.963 120.200 0.265 0.000 2.416 174 E HA 0.156 4.505 4.350 -0.001 0.000 0.273 174 E C -0.913 175.765 176.600 0.131 0.000 0.935 174 E CA -1.063 55.456 56.400 0.200 0.000 0.784 174 E CB 1.538 31.335 29.700 0.162 0.000 1.301 174 E HN 0.307 nan 8.360 nan 0.000 0.454 175 N N 2.308 121.074 118.700 0.109 0.000 2.671 175 N HA -0.206 4.533 4.740 -0.001 0.000 0.261 175 N C -1.356 174.161 175.510 0.012 0.000 1.053 175 N CA 1.253 54.334 53.050 0.053 0.000 0.732 175 N CB -1.609 36.897 38.487 0.032 0.000 0.887 175 N HN 0.788 nan 8.380 nan 0.000 0.546 179 I N 2.613 123.188 120.570 0.008 0.000 2.355 179 I HA 0.531 4.700 4.170 -0.001 0.000 0.288 179 I C -0.543 175.454 176.117 -0.200 0.000 0.999 179 I CA -0.820 60.406 61.300 -0.124 0.000 1.163 179 I CB 1.608 39.506 38.000 -0.170 0.000 1.316 179 I HN 0.399 nan 8.210 nan 0.000 0.454 180 C N 7.463 126.576 119.300 -0.311 0.000 2.321 180 C HA 0.444 4.903 4.460 -0.001 0.000 0.323 180 C C 0.095 174.788 174.990 -0.494 0.000 1.191 180 C CA -0.489 58.209 59.018 -0.533 0.000 1.455 180 C CB -0.437 27.111 27.740 -0.320 0.000 2.083 180 C HN 0.656 nan 8.230 nan 0.000 0.442 181 H N 4.626 123.478 119.070 -0.363 0.000 2.652 181 H HA 0.290 4.845 4.556 -0.001 0.000 0.349 181 H C -2.095 173.057 175.328 -0.295 0.000 1.099 181 H CA -1.408 54.489 56.048 -0.253 0.000 1.417 181 H CB 0.700 30.342 29.762 -0.199 0.000 1.457 181 H HN 0.496 nan 8.280 nan 0.000 0.568 182 P HA 0.006 nan 4.420 nan 0.000 0.266 182 P C -2.269 174.905 177.300 -0.210 0.000 1.195 182 P CA -0.827 62.206 63.100 -0.112 0.000 0.768 182 P CB -0.146 31.519 31.700 -0.058 0.000 0.838 183 P HA 0.102 nan 4.420 nan 0.000 0.271 183 P C -0.570 176.452 177.300 -0.464 0.000 1.218 183 P CA -0.032 62.707 63.100 -0.602 0.000 0.780 183 P CB 0.657 31.644 31.700 -1.189 0.000 0.901 184 K N 3.181 123.323 120.400 -0.430 0.000 2.253 184 K HA 0.411 4.730 4.320 -0.001 0.000 0.277 184 K C -0.641 175.767 176.600 -0.320 0.000 1.053 184 K CA -0.517 55.596 56.287 -0.290 0.000 0.892 184 K CB 0.069 32.455 32.500 -0.190 0.000 1.102 184 K HN 0.433 nan 8.250 nan 0.000 0.469 185 I N 4.372 124.793 120.570 -0.249 0.000 2.389 185 I HA 0.233 4.402 4.170 -0.001 0.000 0.288 185 I C -0.112 175.959 176.117 -0.076 0.000 0.999 185 I CA -0.693 60.498 61.300 -0.183 0.000 1.129 185 I CB 1.967 39.842 38.000 -0.208 0.000 1.288 185 I HN 0.664 nan 8.210 nan 0.000 0.444 186 T N 0.850 115.387 114.554 -0.027 0.000 2.916 186 T HA 0.370 4.719 4.350 -0.001 0.000 0.292 186 T C -0.167 174.572 174.700 0.065 0.000 1.055 186 T CA -0.833 61.277 62.100 0.017 0.000 1.009 186 T CB 1.815 70.699 68.868 0.027 0.000 1.118 186 T HN 0.403 nan 8.240 nan 0.000 0.497 187 S N 0.841 116.581 115.700 0.066 0.000 2.537 187 S HA 0.235 4.704 4.470 -0.001 0.000 0.286 187 S C -1.126 173.565 174.600 0.151 0.000 1.299 187 S CA -0.400 57.853 58.200 0.088 0.000 1.067 187 S CB -0.576 62.654 63.200 0.050 0.000 0.864 187 S HN 0.710 nan 8.310 nan 0.000 0.494 188 Y N 5.395 125.705 120.300 0.017 0.000 2.373 188 Y HA 0.475 5.024 4.550 -0.001 0.000 0.327 188 Y C -0.775 175.140 175.900 0.025 0.000 1.036 188 Y CA -0.766 57.350 58.100 0.026 0.000 1.265 188 Y CB 0.577 39.054 38.460 0.028 0.000 1.108 188 Y HN 0.520 nan 8.280 nan 0.000 0.471 189 K N 4.772 125.031 120.400 -0.235 0.000 2.318 189 K HA 0.408 4.727 4.320 -0.001 0.000 0.249 189 K C -0.436 175.987 176.600 -0.295 0.000 0.942 189 K CA -1.027 55.152 56.287 -0.179 0.000 0.808 189 K CB 2.016 34.468 32.500 -0.081 0.000 1.189 189 K HN 0.661 nan 8.250 nan 0.000 0.428 190 K N -0.052 120.240 120.400 -0.180 0.000 3.150 190 K HA -0.175 4.144 4.320 -0.001 0.000 0.267 190 K C 0.138 176.616 176.600 -0.202 0.000 1.028 190 K CA 0.882 57.083 56.287 -0.143 0.000 0.753 190 K CB -1.325 31.110 32.500 -0.108 0.000 1.288 190 K HN 0.995 nan 8.250 nan 0.000 0.473 191 G N 0.572 109.231 108.800 -0.235 0.000 2.695 191 G HA2 0.640 4.600 3.960 -0.001 0.000 0.290 191 G HA3 0.640 4.600 3.960 -0.001 0.000 0.290 191 G C -2.981 172.049 174.900 0.217 0.000 1.410 191 G CA -1.008 44.030 45.100 -0.103 0.000 0.844 191 G HN -0.056 nan 8.290 nan 0.000 0.478 192 P HA 0.293 nan 4.420 nan 0.000 0.277 192 P C 0.308 177.846 177.300 0.397 0.000 1.240 192 P CA -0.174 63.096 63.100 0.284 0.000 0.798 192 P CB 1.429 33.248 31.700 0.199 0.000 0.979 193 S N 1.736 117.574 115.700 0.230 0.000 2.592 193 S HA 0.602 5.071 4.470 -0.001 0.000 0.271 193 S C -0.377 174.339 174.600 0.193 0.000 1.326 193 S CA -0.117 58.145 58.200 0.103 0.000 1.024 193 S CB -0.062 63.154 63.200 0.028 0.000 0.921 193 S HN 0.657 nan 8.310 nan 0.000 0.527 194 Y N -2.497 117.776 120.300 -0.045 0.000 2.774 194 Y HA 0.667 5.217 4.550 -0.001 0.000 0.346 194 Y C -1.233 174.636 175.900 -0.050 0.000 1.222 194 Y CA -1.170 56.909 58.100 -0.035 0.000 1.088 194 Y CB 0.707 39.150 38.460 -0.029 0.000 1.354 194 Y HN 0.627 nan 8.280 nan 0.000 0.455 195 T N 2.140 116.766 114.554 0.119 0.000 2.921 195 T HA 0.482 4.831 4.350 -0.001 0.000 0.297 195 T C -1.665 173.135 174.700 0.165 0.000 1.013 195 T CA -0.916 61.205 62.100 0.035 0.000 0.990 195 T CB 1.526 70.402 68.868 0.013 0.000 1.023 195 T HN 0.722 nan 8.240 nan 0.000 0.447 196 K N 2.903 123.384 120.400 0.134 0.000 2.463 196 K HA 0.671 4.990 4.320 -0.001 0.000 0.255 196 K C -1.485 175.108 176.600 -0.012 0.000 0.942 196 K CA -0.620 55.728 56.287 0.101 0.000 0.814 196 K CB 1.323 33.915 32.500 0.154 0.000 1.122 196 K HN 0.360 nan 8.250 nan 0.000 0.425 197 V N 3.492 123.391 119.914 -0.026 0.000 2.398 197 V HA 0.374 4.493 4.120 -0.001 0.000 0.286 197 V C -0.522 175.541 176.094 -0.052 0.000 1.026 197 V CA -0.509 61.709 62.300 -0.136 0.000 0.868 197 V CB 1.704 33.474 31.823 -0.088 0.000 0.982 197 V HN 0.843 nan 8.190 nan 0.000 0.443 198 T N 6.493 120.965 114.554 -0.137 0.000 2.809 198 T HA 0.701 5.050 4.350 -0.001 0.000 0.284 198 T C -0.713 173.995 174.700 0.012 0.000 0.992 198 T CA -0.236 61.846 62.100 -0.030 0.000 0.957 198 T CB 0.702 69.559 68.868 -0.019 0.000 0.942 198 T HN 0.542 nan 8.240 nan 0.000 0.439 199 F N 0.393 120.323 119.950 -0.033 0.000 2.588 199 F HA 0.773 5.299 4.527 -0.001 0.000 0.310 199 F C -0.631 175.270 175.800 0.168 0.000 1.082 199 F CA -1.360 56.697 58.000 0.095 0.000 0.929 199 F CB 1.745 40.890 39.000 0.242 0.000 1.254 199 F HN 0.301 nan 8.300 nan 0.000 0.455 200 K N 4.370 124.949 120.400 0.298 0.000 2.389 200 K HA 0.496 4.815 4.320 -0.001 0.000 0.261 200 K C -2.890 173.968 176.600 0.430 0.000 1.014 200 K CA -2.148 54.285 56.287 0.243 0.000 0.920 200 K CB 1.259 33.880 32.500 0.202 0.000 1.149 200 K HN 0.339 nan 8.250 nan 0.000 0.444 201 P HA -0.044 nan 4.420 nan 0.000 0.268 201 P C -0.805 176.772 177.300 0.462 0.000 1.205 201 P CA -0.168 63.288 63.100 0.594 0.000 0.771 201 P CB 0.517 32.545 31.700 0.548 0.000 0.858 202 D N 3.154 123.812 120.400 0.430 0.000 2.441 202 D HA 0.013 4.652 4.640 -0.001 0.000 0.243 202 D C 1.133 177.573 176.300 0.233 0.000 1.257 202 D CA 0.235 54.379 54.000 0.240 0.000 1.027 202 D CB -0.237 40.627 40.800 0.107 0.000 1.084 202 D HN 0.271 nan 8.370 nan 0.000 0.514 203 L N 2.194 123.553 121.223 0.226 0.000 2.201 203 L HA -0.166 4.173 4.340 -0.001 0.000 0.212 203 L C 2.579 179.528 176.870 0.131 0.000 1.105 203 L CA 1.331 56.304 54.840 0.221 0.000 0.775 203 L CB -0.674 41.395 42.059 0.017 0.000 0.913 203 L HN 0.423 nan 8.230 nan 0.000 0.440 204 T N -2.310 112.280 114.554 0.060 0.000 2.759 204 T HA -0.241 4.108 4.350 -0.001 0.000 0.269 204 T C 1.942 176.637 174.700 -0.008 0.000 1.042 204 T CA 0.996 63.112 62.100 0.026 0.000 1.140 204 T CB -0.300 68.577 68.868 0.016 0.000 0.864 204 T HN 0.307 nan 8.240 nan 0.000 0.455 205 R N -0.276 120.170 120.500 -0.091 0.000 2.235 205 R HA 0.141 4.481 4.340 -0.001 0.000 0.213 205 R C 0.998 177.128 176.300 -0.284 0.000 1.059 205 R CA 0.767 56.744 56.100 -0.206 0.000 0.997 205 R CB -0.210 29.923 30.300 -0.279 0.000 0.884 205 R HN 0.453 nan 8.270 nan 0.000 0.462 206 F N -0.002 120.006 119.950 0.097 0.000 2.664 206 F HA 0.313 4.839 4.527 -0.001 0.000 0.303 206 F C 1.382 177.204 175.800 0.037 0.000 1.092 206 F CA 0.091 58.129 58.000 0.062 0.000 1.305 206 F CB 0.131 39.167 39.000 0.061 0.000 1.054 206 F HN 0.059 nan 8.300 nan 0.000 0.565 210 E N -0.600 119.560 120.200 -0.067 0.000 2.430 210 E HA 0.671 5.020 4.350 -0.001 0.000 0.279 210 E C -1.137 175.439 176.600 -0.040 0.000 1.003 210 E CA -0.983 55.380 56.400 -0.061 0.000 0.801 210 E CB 1.524 31.224 29.700 0.000 0.000 1.313 210 E HN 0.078 nan 8.360 nan 0.000 0.459 211 L N 3.070 124.282 121.223 -0.018 0.000 2.363 211 L HA 0.267 4.606 4.340 -0.001 0.000 0.286 211 L C -0.290 176.565 176.870 -0.025 0.000 1.106 211 L CA -0.547 54.278 54.840 -0.026 0.000 0.859 211 L CB -0.607 41.439 42.059 -0.023 0.000 1.223 211 L HN 0.583 nan 8.230 nan 0.000 0.446 212 D N 1.275 121.656 120.400 -0.032 0.000 2.433 212 D HA 0.034 4.673 4.640 -0.001 0.000 0.255 212 D C 0.735 177.012 176.300 -0.039 0.000 1.226 212 D CA -0.613 53.370 54.000 -0.028 0.000 1.015 212 D CB 0.550 41.335 40.800 -0.025 0.000 1.091 212 D HN 0.108 nan 8.370 nan 0.000 0.527 213 N N -0.327 118.353 118.700 -0.033 0.000 2.223 213 N HA -0.118 4.621 4.740 -0.001 0.000 0.185 213 N C 0.827 176.307 175.510 -0.051 0.000 1.016 213 N CA 0.802 53.831 53.050 -0.035 0.000 0.863 213 N CB -0.253 38.218 38.487 -0.026 0.000 0.983 213 N HN 0.421 nan 8.380 nan 0.000 0.429 214 D N 0.557 120.922 120.400 -0.058 0.000 2.084 214 D HA -0.084 4.555 4.640 -0.001 0.000 0.196 214 D C 1.951 178.182 176.300 -0.115 0.000 0.985 214 D CA 0.457 54.410 54.000 -0.077 0.000 0.826 214 D CB -0.294 40.464 40.800 -0.070 0.000 0.978 214 D HN 0.155 nan 8.370 nan 0.000 0.456 215 I N 0.510 121.009 120.570 -0.118 0.000 2.315 215 I HA -0.163 4.006 4.170 -0.001 0.000 0.248 215 I C 2.072 178.086 176.117 -0.172 0.000 1.117 215 I CA 0.953 62.155 61.300 -0.164 0.000 1.404 215 I CB -0.126 37.794 38.000 -0.132 0.000 1.071 215 I HN -0.034 nan 8.210 nan 0.000 0.419 216 L N 0.017 121.166 121.223 -0.123 0.000 2.046 216 L HA -0.132 4.207 4.340 -0.001 0.000 0.208 216 L C 2.563 179.386 176.870 -0.079 0.000 1.077 216 L CA 1.476 56.250 54.840 -0.110 0.000 0.747 216 L CB -1.488 40.529 42.059 -0.071 0.000 0.896 216 L HN 0.400 nan 8.230 nan 0.000 0.432 217 G N -0.379 108.383 108.800 -0.063 0.000 2.418 217 G HA2 -0.120 3.839 3.960 -0.001 0.000 0.217 217 G HA3 -0.120 3.839 3.960 -0.001 0.000 0.217 217 G C 0.908 175.791 174.900 -0.028 0.000 1.158 217 G CA 0.263 45.348 45.100 -0.024 0.000 0.771 217 G HN 0.092 nan 8.290 nan 0.000 0.545 221 R N 1.630 122.322 120.500 0.321 0.000 2.105 221 R HA -0.075 4.264 4.340 -0.001 0.000 0.239 221 R C 1.894 178.482 176.300 0.480 0.000 1.135 221 R CA 1.751 58.084 56.100 0.387 0.000 0.967 221 R CB -0.006 30.477 30.300 0.305 0.000 0.861 221 R HN -0.098 nan 8.270 nan 0.000 0.442 222 R N 0.155 120.954 120.500 0.498 0.000 2.152 222 R HA -0.066 4.273 4.340 -0.001 0.000 0.232 222 R C 2.003 178.516 176.300 0.355 0.000 1.117 222 R CA 1.229 57.641 56.100 0.521 0.000 0.981 222 R CB -0.422 30.314 30.300 0.727 0.000 0.870 222 R HN 0.096 nan 8.270 nan 0.000 0.451 223 V N -0.283 119.839 119.914 0.347 0.000 2.453 223 V HA -0.201 3.918 4.120 -0.001 0.000 0.247 223 V C 1.633 177.752 176.094 0.042 0.000 1.048 223 V CA 1.563 63.961 62.300 0.164 0.000 1.049 223 V CB -0.659 31.252 31.823 0.147 0.000 0.672 223 V HN 0.270 nan 8.190 nan 0.000 0.457 224 Y N 0.979 121.330 120.300 0.085 0.000 2.165 224 Y HA -0.258 4.291 4.550 -0.001 0.000 0.286 224 Y C 2.496 178.445 175.900 0.082 0.000 1.155 224 Y CA 1.932 60.085 58.100 0.088 0.000 1.164 224 Y CB -0.466 38.077 38.460 0.137 0.000 0.978 224 Y HN 0.301 nan 8.280 nan 0.000 0.513 225 D N -0.038 120.509 120.400 0.246 0.000 2.116 225 D HA -0.215 4.424 4.640 -0.001 0.000 0.193 225 D C 2.171 178.215 176.300 -0.426 0.000 0.998 225 D CA 1.429 55.298 54.000 -0.218 0.000 0.836 225 D CB -0.378 40.475 40.800 0.089 0.000 0.951 225 D HN 0.187 nan 8.370 nan 0.000 0.449 226 I N 0.830 121.287 120.570 -0.188 0.000 2.163 226 I HA -0.243 3.926 4.170 -0.001 0.000 0.243 226 I C 2.136 178.133 176.117 -0.199 0.000 1.085 226 I CA 1.097 62.280 61.300 -0.196 0.000 1.347 226 I CB -1.128 36.806 38.000 -0.111 0.000 1.044 226 I HN 0.128 nan 8.210 nan 0.000 0.408 227 N N 0.408 119.012 118.700 -0.161 0.000 2.149 227 N HA -0.156 4.583 4.740 -0.001 0.000 0.188 227 N C 1.990 177.429 175.510 -0.119 0.000 1.019 227 N CA 1.210 54.177 53.050 -0.138 0.000 0.857 227 N CB -0.123 38.268 38.487 -0.160 0.000 0.997 227 N HN 0.390 nan 8.380 nan 0.000 0.426 228 G N -0.531 108.162 108.800 -0.178 0.000 2.408 228 G HA2 -0.217 3.743 3.960 -0.001 0.000 0.217 228 G HA3 -0.217 3.743 3.960 -0.001 0.000 0.217 228 G C 1.588 176.409 174.900 -0.131 0.000 1.150 228 G CA 1.094 46.093 45.100 -0.167 0.000 0.776 228 G HN 0.480 nan 8.290 nan 0.000 0.542 229 S N -0.556 114.918 115.700 -0.376 0.000 2.456 229 S HA 0.190 4.659 4.470 -0.001 0.000 0.224 229 S C 0.823 175.287 174.600 -0.227 0.000 1.035 229 S CA -0.029 57.937 58.200 -0.391 0.000 0.940 229 S CB -0.014 62.778 63.200 -0.680 0.000 0.799 229 S HN 0.003 nan 8.310 nan 0.000 0.508 230 V N 3.672 123.477 119.914 -0.181 0.000 2.461 230 V HA 0.464 4.583 4.120 -0.001 0.000 0.275 230 V C 0.407 176.455 176.094 -0.075 0.000 1.047 230 V CA -0.726 61.502 62.300 -0.119 0.000 0.955 230 V CB 0.617 32.378 31.823 -0.102 0.000 0.988 230 V HN 0.271 nan 8.190 nan 0.000 0.471 231 R N 3.802 124.268 120.500 -0.056 0.000 2.491 231 R HA 0.157 4.496 4.340 -0.001 0.000 0.283 231 R C 0.353 176.641 176.300 -0.020 0.000 1.072 231 R CA 0.053 56.138 56.100 -0.026 0.000 1.048 231 R CB -0.518 29.771 30.300 -0.018 0.000 0.983 231 R HN 0.848 nan 8.270 nan 0.000 0.450 232 D N 1.826 122.220 120.400 -0.009 0.000 2.746 232 D HA -0.226 4.413 4.640 -0.001 0.000 0.236 232 D C -0.167 176.130 176.300 -0.004 0.000 1.129 232 D CA 1.507 55.505 54.000 -0.003 0.000 0.691 232 D CB -1.356 39.446 40.800 0.003 0.000 1.077 232 D HN 0.576 nan 8.370 nan 0.000 0.432 233 I N -3.726 116.836 120.570 -0.014 0.000 3.002 233 I HA 0.529 4.698 4.170 -0.001 0.000 0.310 233 I C -0.488 175.620 176.117 -0.015 0.000 1.087 233 I CA -0.964 60.331 61.300 -0.007 0.000 1.017 233 I CB 2.153 40.144 38.000 -0.015 0.000 1.226 233 I HN -0.287 nan 8.210 nan 0.000 0.443 234 N N 2.830 121.540 118.700 0.018 0.000 2.407 234 N HA 0.523 5.263 4.740 -0.001 0.000 0.277 234 N C -1.248 174.268 175.510 0.011 0.000 0.995 234 N CA -0.425 52.624 53.050 -0.001 0.000 0.903 234 N CB 2.833 41.394 38.487 0.124 0.000 1.218 234 N HN 0.392 nan 8.380 nan 0.000 0.487 235 V N 2.636 122.424 119.914 -0.211 0.000 2.628 235 V HA 0.493 4.613 4.120 -0.001 0.000 0.306 235 V C -0.983 174.846 176.094 -0.443 0.000 1.045 235 V CA -0.624 61.577 62.300 -0.166 0.000 0.905 235 V CB 1.048 32.765 31.823 -0.178 0.000 0.997 235 V HN 0.525 nan 8.190 nan 0.000 0.436 236 Y N 3.633 123.870 120.300 -0.104 0.000 2.462 236 Y HA 0.710 5.259 4.550 -0.001 0.000 0.346 236 Y C -0.498 175.346 175.900 -0.092 0.000 0.976 236 Y CA -0.885 57.156 58.100 -0.099 0.000 1.044 236 Y CB 2.130 40.551 38.460 -0.064 0.000 1.230 236 Y HN 0.469 nan 8.280 nan 0.000 0.455 237 L N 4.520 125.750 121.223 0.012 0.000 2.342 237 L HA 0.459 4.799 4.340 -0.001 0.000 0.276 237 L C -0.034 176.850 176.870 0.024 0.000 0.997 237 L CA -0.383 54.456 54.840 -0.002 0.000 0.838 237 L CB 0.567 42.589 42.059 -0.062 0.000 1.224 237 L HN 0.802 nan 8.230 nan 0.000 0.416 238 N N 4.394 123.104 118.700 0.016 0.000 2.716 238 N HA -0.253 4.487 4.740 -0.001 0.000 0.250 238 N C 0.937 176.479 175.510 0.053 0.000 1.033 238 N CA 0.849 53.908 53.050 0.016 0.000 0.727 238 N CB -0.647 37.843 38.487 0.005 0.000 0.950 238 N HN 1.188 nan 8.380 nan 0.000 0.541 239 G N -0.610 108.239 108.800 0.081 0.000 2.199 239 G HA2 -0.327 3.632 3.960 -0.001 0.000 0.254 239 G HA3 -0.327 3.632 3.960 -0.001 0.000 0.254 239 G C -0.034 174.984 174.900 0.196 0.000 0.982 239 G CA 0.697 45.851 45.100 0.091 0.000 0.632 239 G HN 0.412 nan 8.290 nan 0.000 0.529 240 K N 1.463 121.964 120.400 0.167 0.000 2.240 240 K HA 0.537 4.856 4.320 -0.001 0.000 0.271 240 K C 0.337 176.939 176.600 0.003 0.000 1.018 240 K CA 0.046 56.398 56.287 0.109 0.000 0.874 240 K CB 1.200 33.723 32.500 0.039 0.000 1.098 240 K HN 0.180 nan 8.250 nan 0.000 0.458 241 S N 4.295 119.942 115.700 -0.089 0.000 2.537 241 S HA 0.056 4.526 4.470 -0.001 0.000 0.286 241 S C 1.469 175.837 174.600 -0.388 0.000 1.299 241 S CA -0.314 57.564 58.200 -0.536 0.000 1.067 241 S CB 0.236 63.221 63.200 -0.359 0.000 0.864 241 S HN 0.617 nan 8.310 nan 0.000 0.494 242 L N 4.515 125.428 121.223 -0.517 0.000 2.554 242 L HA 0.076 4.415 4.340 -0.001 0.000 0.226 242 L C 1.666 178.375 176.870 -0.269 0.000 1.137 242 L CA 0.462 55.002 54.840 -0.499 0.000 0.863 242 L CB -0.569 41.010 42.059 -0.800 0.000 0.985 242 L HN 0.896 nan 8.230 nan 0.000 0.451 243 K N -0.571 119.689 120.400 -0.233 0.000 3.658 243 K HA -0.255 4.064 4.320 -0.001 0.000 0.372 243 K C 0.702 177.255 176.600 -0.079 0.000 0.598 243 K CA 1.872 58.089 56.287 -0.117 0.000 1.635 243 K CB -1.668 30.805 32.500 -0.045 0.000 1.178 243 K HN 0.438 nan 8.250 nan 0.000 0.470 244 I N 0.020 120.555 120.570 -0.058 0.000 2.692 244 I HA 0.083 4.252 4.170 -0.001 0.000 0.284 244 I C 1.109 177.200 176.117 -0.044 0.000 1.159 244 I CA -0.124 61.166 61.300 -0.017 0.000 1.423 244 I CB 0.664 38.703 38.000 0.065 0.000 1.380 244 I HN 0.073 nan 8.210 nan 0.000 0.580 245 R N 3.031 123.514 120.500 -0.027 0.000 2.369 245 R HA 0.254 4.593 4.340 -0.001 0.000 0.210 245 R C -0.496 175.799 176.300 -0.009 0.000 0.881 245 R CA -0.017 56.067 56.100 -0.028 0.000 1.031 245 R CB -0.275 30.011 30.300 -0.023 0.000 1.184 245 R HN 0.984 nan 8.270 nan 0.000 0.581 246 N N -2.467 116.237 118.700 0.006 0.000 3.106 246 N HA 0.031 4.770 4.740 -0.001 0.000 0.253 246 N C 0.044 175.610 175.510 0.093 0.000 1.506 246 N CA -0.720 52.355 53.050 0.042 0.000 0.876 246 N CB -0.215 38.289 38.487 0.028 0.000 1.452 246 N HN -0.248 nan 8.380 nan 0.000 0.542 247 F N 0.433 120.369 119.950 -0.023 0.000 2.234 247 F HA 0.166 4.692 4.527 -0.001 0.000 0.299 247 F C 2.086 177.862 175.800 -0.040 0.000 1.087 247 F CA 1.427 59.452 58.000 0.042 0.000 1.340 247 F CB -0.011 39.069 39.000 0.133 0.000 1.031 247 F HN 0.667 nan 8.300 nan 0.000 0.500 248 K N 0.129 120.319 120.400 -0.351 0.000 2.026 248 K HA -0.220 4.100 4.320 -0.001 0.000 0.208 248 K C 1.923 178.295 176.600 -0.379 0.000 1.048 248 K CA 1.696 57.574 56.287 -0.682 0.000 0.929 248 K CB -0.229 31.697 32.500 -0.956 0.000 0.713 248 K HN 0.196 nan 8.250 nan 0.000 0.439 249 N N 0.286 118.853 118.700 -0.221 0.000 2.061 249 N HA -0.233 4.506 4.740 -0.001 0.000 0.193 249 N C 1.630 177.074 175.510 -0.110 0.000 1.030 249 N CA 1.430 54.403 53.050 -0.129 0.000 0.856 249 N CB -0.712 37.743 38.487 -0.053 0.000 1.023 249 N HN 0.305 nan 8.380 nan 0.000 0.424 250 Y N 1.781 121.961 120.300 -0.199 0.000 2.097 250 Y HA -0.187 4.362 4.550 -0.001 0.000 0.282 250 Y C 2.269 178.038 175.900 -0.217 0.000 1.152 250 Y CA 1.357 59.364 58.100 -0.156 0.000 1.136 250 Y CB -0.564 37.811 38.460 -0.141 0.000 0.975 250 Y HN -0.160 nan 8.280 nan 0.000 0.498 251 V N 0.790 120.382 119.914 -0.537 0.000 2.490 251 V HA -0.302 3.818 4.120 -0.001 0.000 0.250 251 V C 2.106 177.868 176.094 -0.554 0.000 1.061 251 V CA 2.264 64.086 62.300 -0.795 0.000 1.064 251 V CB -0.659 30.532 31.823 -1.054 0.000 0.670 251 V HN 0.443 nan 8.190 nan 0.000 0.461 252 E N -0.064 119.897 120.200 -0.398 0.000 2.265 252 E HA -0.171 4.178 4.350 -0.001 0.000 0.196 252 E C 2.095 178.543 176.600 -0.255 0.000 0.996 252 E CA 0.855 57.085 56.400 -0.283 0.000 0.832 252 E CB -0.190 29.383 29.700 -0.211 0.000 0.756 252 E HN 0.553 nan 8.360 nan 0.000 0.491 253 L N -0.353 120.687 121.223 -0.305 0.000 2.265 253 L HA -0.175 4.164 4.340 -0.001 0.000 0.215 253 L C 1.446 178.036 176.870 -0.467 0.000 1.117 253 L CA 0.953 55.575 54.840 -0.364 0.000 0.782 253 L CB -0.257 41.540 42.059 -0.436 0.000 0.914 253 L HN 0.229 nan 8.230 nan 0.000 0.441 254 Y N -1.300 118.732 120.300 -0.447 0.000 2.490 254 Y HA -0.054 4.496 4.550 -0.001 0.000 0.281 254 Y C 1.973 177.699 175.900 -0.290 0.000 1.174 254 Y CA -0.175 57.670 58.100 -0.424 0.000 1.295 254 Y CB 0.093 38.207 38.460 -0.577 0.000 1.062 254 Y HN 0.064 nan 8.280 nan 0.000 0.522 255 L N 0.953 122.086 121.223 -0.150 0.000 2.012 255 L HA -0.245 4.095 4.340 -0.001 0.000 0.210 255 L C 1.962 178.789 176.870 -0.071 0.000 1.073 255 L CA 1.990 56.756 54.840 -0.123 0.000 0.748 255 L CB -0.396 41.585 42.059 -0.129 0.000 0.891 255 L HN 0.020 nan 8.230 nan 0.000 0.431 256 K N -1.036 119.319 120.400 -0.074 0.000 2.147 256 K HA -0.087 4.232 4.320 -0.001 0.000 0.205 256 K C 2.063 178.664 176.600 0.002 0.000 1.049 256 K CA 1.441 57.700 56.287 -0.046 0.000 0.936 256 K CB -0.159 32.299 32.500 -0.071 0.000 0.722 256 K HN 0.334 nan 8.250 nan 0.000 0.446 257 S N 0.932 116.660 115.700 0.047 0.000 2.371 257 S HA 0.011 4.480 4.470 -0.001 0.000 0.224 257 S C 1.029 175.718 174.600 0.148 0.000 1.029 257 S CA 0.546 58.838 58.200 0.152 0.000 0.978 257 S CB -0.072 63.353 63.200 0.376 0.000 0.833 257 S HN 0.095 nan 8.310 nan 0.000 0.466 277 P HA 0.651 nan 4.420 nan 0.000 0.275 277 P C 1.108 178.417 177.300 0.016 0.000 1.228 277 P CA -0.031 63.075 63.100 0.010 0.000 0.786 277 P CB 0.956 32.662 31.700 0.011 0.000 0.927 278 T N 0.469 115.021 114.554 -0.002 0.000 2.746 278 T HA -0.003 4.346 4.350 -0.001 0.000 0.267 278 T C 0.926 175.613 174.700 -0.021 0.000 1.039 278 T CA 1.061 63.154 62.100 -0.012 0.000 1.142 278 T CB -0.312 68.535 68.868 -0.035 0.000 0.866 278 T HN 0.324 nan 8.240 nan 0.000 0.444 279 I N 1.396 121.944 120.570 -0.036 0.000 2.404 279 I HA 0.469 4.638 4.170 -0.001 0.000 0.293 279 I C -0.992 175.148 176.117 0.039 0.000 0.992 279 I CA -1.101 60.175 61.300 -0.040 0.000 1.149 279 I CB 1.969 39.871 38.000 -0.163 0.000 1.315 279 I HN 0.018 nan 8.210 nan 0.000 0.446 280 L N 8.057 129.351 121.223 0.119 0.000 2.298 280 L HA 0.504 4.843 4.340 -0.001 0.000 0.284 280 L C -1.423 175.617 176.870 0.283 0.000 1.013 280 L CA -0.241 54.678 54.840 0.131 0.000 0.824 280 L CB 0.920 42.977 42.059 -0.003 0.000 1.221 280 L HN 0.525 nan 8.230 nan 0.000 0.418 281 Y N 3.912 124.313 120.300 0.168 0.000 2.429 281 Y HA 0.738 5.287 4.550 -0.001 0.000 0.342 281 Y C -0.916 175.162 175.900 0.297 0.000 1.004 281 Y CA -0.503 57.738 58.100 0.236 0.000 1.075 281 Y CB 1.584 40.109 38.460 0.109 0.000 1.214 281 Y HN 0.802 nan 8.280 nan 0.000 0.455 282 E N 4.591 124.431 120.200 -0.601 0.000 2.321 282 E HA 0.284 4.634 4.350 -0.001 0.000 0.281 282 E C -1.650 174.522 176.600 -0.713 0.000 0.910 282 E CA -0.939 55.114 56.400 -0.579 0.000 0.770 282 E CB 1.294 30.940 29.700 -0.089 0.000 1.225 282 E HN 0.767 nan 8.360 nan 0.000 0.417 283 R N 5.940 126.161 120.500 -0.466 0.000 2.296 283 R HA 0.163 4.502 4.340 -0.001 0.000 0.323 283 R C 0.599 176.861 176.300 -0.063 0.000 1.067 283 R CA -0.213 55.809 56.100 -0.129 0.000 0.946 283 R CB 0.315 30.656 30.300 0.068 0.000 0.991 283 R HN 0.613 nan 8.270 nan 0.000 0.448 284 I N 2.872 123.423 120.570 -0.032 0.000 2.400 284 I HA -0.064 4.105 4.170 -0.001 0.000 0.248 284 I C 0.466 176.604 176.117 0.035 0.000 1.109 284 I CA 0.929 62.212 61.300 -0.028 0.000 1.425 284 I CB -1.044 36.921 38.000 -0.058 0.000 1.094 284 I HN 0.691 nan 8.210 nan 0.000 0.425 285 N N -1.333 117.430 118.700 0.106 0.000 3.449 285 N HA 0.126 4.865 4.740 -0.001 0.000 0.312 285 N C -0.059 175.528 175.510 0.127 0.000 1.582 285 N CA -0.609 52.511 53.050 0.116 0.000 0.850 285 N CB -0.145 38.423 38.487 0.135 0.000 1.822 285 N HN -0.321 nan 8.380 nan 0.000 0.577 286 N N -0.743 118.021 118.700 0.107 0.000 2.573 286 N HA 0.035 4.774 4.740 -0.001 0.000 0.187 286 N C 0.211 175.750 175.510 0.049 0.000 1.107 286 N CA 0.587 53.681 53.050 0.073 0.000 0.918 286 N CB -0.147 38.373 38.487 0.055 0.000 0.966 286 N HN 0.447 nan 8.380 nan 0.000 0.448 287 R N -1.897 118.658 120.500 0.091 0.000 2.476 287 R HA 0.167 4.506 4.340 -0.001 0.000 0.276 287 R C -0.663 175.476 176.300 -0.268 0.000 0.941 287 R CA -0.063 56.000 56.100 -0.063 0.000 1.088 287 R CB 0.628 30.912 30.300 -0.025 0.000 1.216 287 R HN 0.057 nan 8.270 nan 0.000 0.533 288 W N 1.126 122.417 121.300 -0.014 0.000 2.830 288 W HA 0.366 5.025 4.660 -0.001 0.000 0.335 288 W C -0.729 175.767 176.519 -0.038 0.000 1.043 288 W CA -0.519 56.814 57.345 -0.020 0.000 1.239 288 W CB 1.490 30.954 29.460 0.006 0.000 1.378 288 W HN -0.189 nan 8.180 nan 0.000 0.456 289 E N 1.927 122.212 120.200 0.142 0.000 2.222 289 E HA 0.710 5.059 4.350 -0.001 0.000 0.267 289 E C -1.234 175.488 176.600 0.204 0.000 0.884 289 E CA -1.091 55.381 56.400 0.120 0.000 0.764 289 E CB 2.924 32.759 29.700 0.226 0.000 1.169 289 E HN 0.090 nan 8.360 nan 0.000 0.413 290 V N 1.418 121.411 119.914 0.133 0.000 2.709 290 V HA 0.782 4.901 4.120 -0.001 0.000 0.308 290 V C -0.701 175.602 176.094 0.348 0.000 1.062 290 V CA -0.693 61.758 62.300 0.251 0.000 0.901 290 V CB 1.764 33.615 31.823 0.048 0.000 1.003 290 V HN 0.807 nan 8.190 nan 0.000 0.425 291 A N 3.794 126.952 122.820 0.562 0.000 2.413 291 A HA 0.960 5.280 4.320 -0.001 0.000 0.307 291 A C -1.561 176.413 177.584 0.650 0.000 1.087 291 A CA -0.518 51.846 52.037 0.546 0.000 0.750 291 A CB 1.774 20.954 19.000 0.299 0.000 1.296 291 A HN 0.948 nan 8.150 nan 0.000 0.423 292 F N 0.990 121.164 119.950 0.373 0.000 2.556 292 F HA 0.754 5.280 4.527 -0.001 0.000 0.314 292 F C -0.163 175.749 175.800 0.188 0.000 1.106 292 F CA -0.076 58.111 58.000 0.312 0.000 0.911 292 F CB 1.808 40.950 39.000 0.236 0.000 1.190 292 F HN 0.943 nan 8.300 nan 0.000 0.448 293 A N 3.980 126.390 122.820 -0.684 0.000 2.527 293 A HA 0.744 5.063 4.320 -0.001 0.000 0.293 293 A C -1.728 175.342 177.584 -0.858 0.000 1.117 293 A CA -0.824 50.868 52.037 -0.575 0.000 0.723 293 A CB 1.445 20.302 19.000 -0.239 0.000 1.313 293 A HN 0.605 nan 8.150 nan 0.000 0.411 294 V N 2.325 122.026 119.914 -0.355 0.000 2.508 294 V HA 0.394 4.514 4.120 -0.001 0.000 0.281 294 V C 0.998 177.078 176.094 -0.023 0.000 1.041 294 V CA 0.255 62.473 62.300 -0.136 0.000 1.016 294 V CB 0.747 32.591 31.823 0.035 0.000 0.984 294 V HN 1.013 nan 8.190 nan 0.000 0.478 295 S N 2.003 117.715 115.700 0.020 0.000 2.586 295 S HA 0.257 4.726 4.470 -0.001 0.000 0.274 295 S C 0.362 175.002 174.600 0.067 0.000 1.281 295 S CA -0.507 57.739 58.200 0.077 0.000 1.035 295 S CB 1.310 64.517 63.200 0.012 0.000 0.962 295 S HN 0.714 nan 8.310 nan 0.000 0.512 296 D N 1.194 121.639 120.400 0.076 0.000 2.213 296 D HA 0.150 4.789 4.640 -0.001 0.000 0.205 296 D C 1.186 177.511 176.300 0.042 0.000 0.961 296 D CA 0.587 54.623 54.000 0.059 0.000 0.853 296 D CB 0.067 40.907 40.800 0.067 0.000 0.967 296 D HN 0.462 nan 8.370 nan 0.000 0.496 297 I N -0.945 119.643 120.570 0.031 0.000 4.228 297 I HA 0.188 4.358 4.170 -0.001 0.000 0.298 297 I C 0.393 176.529 176.117 0.030 0.000 1.206 297 I CA 0.455 61.769 61.300 0.023 0.000 1.322 297 I CB 0.202 38.204 38.000 0.004 0.000 1.411 297 I HN 0.019 nan 8.210 nan 0.000 0.454 298 S N -0.436 115.275 115.700 0.018 0.000 2.661 298 S HA 0.367 4.837 4.470 -0.001 0.000 0.268 298 S C -0.895 173.724 174.600 0.033 0.000 1.162 298 S CA -0.689 57.540 58.200 0.049 0.000 0.817 298 S CB 1.576 64.799 63.200 0.039 0.000 1.141 298 S HN -0.015 nan 8.310 nan 0.000 0.477 299 F N 2.191 122.113 119.950 -0.046 0.000 2.608 299 F HA 0.387 4.914 4.527 -0.001 0.000 0.380 299 F C 0.267 175.948 175.800 -0.199 0.000 1.083 299 F CA 0.784 58.733 58.000 -0.085 0.000 1.266 299 F CB 0.128 39.106 39.000 -0.037 0.000 1.076 299 F HN 0.614 nan 8.300 nan 0.000 0.574 300 Q N 4.439 123.490 119.800 -1.248 0.000 2.372 300 Q HA 0.421 4.760 4.340 -0.001 0.000 0.273 300 Q C -1.499 173.523 176.000 -1.629 0.000 1.078 300 Q CA -1.183 53.792 55.803 -1.381 0.000 0.806 300 Q CB 2.609 30.356 28.738 -1.651 0.000 1.332 300 Q HN 0.681 nan 8.270 nan 0.000 0.435 301 Q N 0.906 120.038 119.800 -1.114 0.000 2.315 301 Q HA 0.708 5.048 4.340 -0.001 0.000 0.273 301 Q C -1.586 174.171 176.000 -0.406 0.000 1.053 301 Q CA -0.469 54.933 55.803 -0.668 0.000 0.817 301 Q CB 1.764 30.278 28.738 -0.373 0.000 1.326 301 Q HN 0.584 nan 8.270 nan 0.000 0.423 302 I N 2.481 122.859 120.570 -0.319 0.000 2.447 302 I HA 0.665 4.834 4.170 -0.001 0.000 0.287 302 I C -0.911 175.140 176.117 -0.111 0.000 1.023 302 I CA -0.431 60.747 61.300 -0.204 0.000 1.083 302 I CB 2.051 39.941 38.000 -0.183 0.000 1.245 302 I HN 0.905 nan 8.210 nan 0.000 0.434 303 S N 5.114 120.624 115.700 -0.317 0.000 2.564 303 S HA 0.788 5.257 4.470 -0.001 0.000 0.274 303 S C -1.119 173.147 174.600 -0.556 0.000 1.124 303 S CA -0.747 57.336 58.200 -0.196 0.000 0.869 303 S CB 1.816 65.030 63.200 0.024 0.000 1.105 303 S HN 0.276 nan 8.310 nan 0.000 0.472 304 F N 0.360 120.386 119.950 0.127 0.000 2.561 304 F HA 0.616 5.143 4.527 -0.001 0.000 0.313 304 F C -0.646 175.096 175.800 -0.098 0.000 1.126 304 F CA -0.944 57.063 58.000 0.011 0.000 0.918 304 F CB 2.337 41.300 39.000 -0.061 0.000 1.199 304 F HN 0.461 nan 8.300 nan 0.000 0.444 305 V N 3.543 123.481 119.914 0.039 0.000 2.350 305 V HA 0.292 4.411 4.120 -0.001 0.000 0.285 305 V C -0.418 175.648 176.094 -0.045 0.000 1.014 305 V CA -1.093 61.134 62.300 -0.121 0.000 0.831 305 V CB 1.144 32.863 31.823 -0.173 0.000 1.000 305 V HN 0.846 nan 8.190 nan 0.000 0.433 306 N N 3.448 122.080 118.700 -0.112 0.000 2.721 306 N HA -0.220 4.519 4.740 -0.001 0.000 0.249 306 N C 0.819 176.293 175.510 -0.060 0.000 1.072 306 N CA 1.204 54.201 53.050 -0.088 0.000 0.710 306 N CB -1.286 37.168 38.487 -0.056 0.000 0.993 306 N HN 0.881 nan 8.380 nan 0.000 0.547 307 S N -2.833 112.838 115.700 -0.048 0.000 2.857 307 S HA -0.241 4.228 4.470 -0.001 0.000 0.268 307 S C 0.355 174.985 174.600 0.051 0.000 1.297 307 S CA 1.025 59.197 58.200 -0.048 0.000 1.280 307 S CB -1.221 61.914 63.200 -0.109 0.000 1.562 307 S HN 0.568 nan 8.310 nan 0.000 0.661 308 I N 2.021 122.626 120.570 0.059 0.000 2.496 308 I HA 0.384 4.554 4.170 -0.001 0.000 0.285 308 I C 0.754 176.972 176.117 0.167 0.000 1.080 308 I CA 0.045 61.363 61.300 0.029 0.000 1.404 308 I CB 0.920 38.853 38.000 -0.113 0.000 1.403 308 I HN 0.316 nan 8.210 nan 0.000 0.539 309 A N 4.622 127.535 122.820 0.155 0.000 2.410 309 A HA 0.317 4.636 4.320 -0.001 0.000 0.292 309 A C 0.570 178.144 177.584 -0.017 0.000 1.232 309 A CA -0.436 51.648 52.037 0.078 0.000 0.893 309 A CB -0.571 18.533 19.000 0.172 0.000 1.131 309 A HN 0.765 nan 8.150 nan 0.000 0.530 310 T N 1.652 116.190 114.554 -0.026 0.000 3.579 310 T HA 0.380 4.729 4.350 -0.001 0.000 0.328 310 T C 0.723 175.455 174.700 0.053 0.000 1.481 310 T CA -0.000 62.149 62.100 0.082 0.000 1.144 310 T CB -0.884 68.141 68.868 0.262 0.000 1.205 310 T HN 0.771 nan 8.240 nan 0.000 0.812 314 G N -1.940 106.958 108.800 0.164 0.000 2.306 314 G HA2 0.398 4.358 3.960 -0.001 0.000 0.262 314 G HA3 0.398 4.358 3.960 -0.001 0.000 0.262 314 G C 1.102 176.160 174.900 0.264 0.000 1.263 314 G CA 0.971 46.214 45.100 0.238 0.000 1.088 314 G HN 1.929 nan 8.290 nan 0.000 0.489 315 T N -1.353 113.413 114.554 0.354 0.000 2.788 315 T HA -0.146 4.204 4.350 -0.001 0.000 0.268 315 T C 2.079 177.121 174.700 0.568 0.000 1.044 315 T CA 2.593 64.916 62.100 0.371 0.000 1.139 315 T CB -0.626 68.445 68.868 0.338 0.000 0.867 315 T HN 1.176 nan 8.240 nan 0.000 0.454 316 H N 1.529 120.850 119.070 0.418 0.000 2.353 316 H HA 0.069 4.624 4.556 -0.001 0.000 0.300 316 H C 2.179 177.780 175.328 0.454 0.000 1.090 316 H CA 1.256 57.593 56.048 0.480 0.000 1.327 316 H CB -1.335 28.520 29.762 0.156 0.000 1.383 316 H HN 0.343 nan 8.280 nan 0.000 0.508 317 V N 2.306 122.042 119.914 -0.297 0.000 2.295 317 V HA -0.260 3.860 4.120 -0.001 0.000 0.246 317 V C 2.259 178.403 176.094 0.083 0.000 1.049 317 V CA 1.963 64.189 62.300 -0.123 0.000 1.024 317 V CB -0.553 31.167 31.823 -0.172 0.000 0.648 317 V HN 0.383 nan 8.190 nan 0.000 0.447 318 N N -0.379 118.384 118.700 0.105 0.000 2.120 318 N HA -0.207 4.533 4.740 -0.001 0.000 0.188 318 N C 1.754 177.358 175.510 0.157 0.000 1.024 318 N CA 1.722 54.828 53.050 0.094 0.000 0.852 318 N CB -0.671 37.873 38.487 0.095 0.000 1.003 318 N HN 0.598 nan 8.380 nan 0.000 0.424 319 Y N 1.770 122.137 120.300 0.111 0.000 2.114 319 Y HA -0.190 4.359 4.550 -0.001 0.000 0.282 319 Y C 2.060 177.984 175.900 0.040 0.000 1.165 319 Y CA 1.349 59.505 58.100 0.095 0.000 1.148 319 Y CB -0.393 38.209 38.460 0.236 0.000 0.972 319 Y HN -0.043 nan 8.280 nan 0.000 0.504 320 I N -0.090 120.468 120.570 -0.020 0.000 2.233 320 I HA -0.231 3.939 4.170 -0.001 0.000 0.243 320 I C 2.581 178.668 176.117 -0.049 0.000 1.093 320 I CA 2.058 63.276 61.300 -0.137 0.000 1.380 320 I CB -1.879 36.154 38.000 0.054 0.000 1.067 320 I HN 0.426 nan 8.210 nan 0.000 0.413 321 T N -1.539 113.035 114.554 0.033 0.000 2.821 321 T HA -0.143 4.206 4.350 -0.001 0.000 0.267 321 T C 1.583 176.268 174.700 -0.025 0.000 1.046 321 T CA 1.236 63.355 62.100 0.031 0.000 1.139 321 T CB -0.387 68.466 68.868 -0.024 0.000 0.871 321 T HN 0.118 nan 8.240 nan 0.000 0.454 322 D N 1.410 121.789 120.400 -0.036 0.000 2.104 322 D HA -0.106 4.533 4.640 -0.001 0.000 0.194 322 D C 2.428 178.698 176.300 -0.049 0.000 0.994 322 D CA 1.255 55.233 54.000 -0.036 0.000 0.830 322 D CB -0.409 40.387 40.800 -0.006 0.000 0.959 322 D HN 0.564 nan 8.370 nan 0.000 0.452 323 Q N -0.123 119.624 119.800 -0.089 0.000 2.030 323 Q HA -0.120 4.219 4.340 -0.001 0.000 0.204 323 Q C 2.525 178.481 176.000 -0.072 0.000 0.986 323 Q CA 0.937 56.672 55.803 -0.113 0.000 0.843 323 Q CB -0.114 28.494 28.738 -0.217 0.000 0.904 323 Q HN 0.355 nan 8.270 nan 0.000 0.420 324 I N -0.132 120.409 120.570 -0.050 0.000 2.226 324 I HA -0.265 3.904 4.170 -0.001 0.000 0.245 324 I C 2.260 178.365 176.117 -0.020 0.000 1.100 324 I CA 0.793 62.083 61.300 -0.018 0.000 1.374 324 I CB -0.277 37.748 38.000 0.040 0.000 1.057 324 I HN 0.057 nan 8.210 nan 0.000 0.413 325 V N 1.035 120.941 119.914 -0.014 0.000 2.295 325 V HA -0.328 3.791 4.120 -0.001 0.000 0.246 325 V C 2.555 178.631 176.094 -0.029 0.000 1.049 325 V CA 2.033 64.321 62.300 -0.020 0.000 1.024 325 V CB -0.677 31.130 31.823 -0.027 0.000 0.648 325 V HN 0.421 nan 8.190 nan 0.000 0.447 326 K N 0.032 120.413 120.400 -0.032 0.000 2.057 326 K HA -0.234 4.085 4.320 -0.001 0.000 0.207 326 K C 2.237 178.820 176.600 -0.028 0.000 1.049 326 K CA 1.728 57.998 56.287 -0.029 0.000 0.931 326 K CB -0.089 32.393 32.500 -0.030 0.000 0.714 326 K HN 0.373 nan 8.250 nan 0.000 0.440 327 K N 0.378 120.758 120.400 -0.033 0.000 2.103 327 K HA -0.024 4.295 4.320 -0.001 0.000 0.204 327 K C 2.064 178.647 176.600 -0.028 0.000 1.052 327 K CA 1.214 57.483 56.287 -0.030 0.000 0.945 327 K CB -0.008 32.471 32.500 -0.034 0.000 0.722 327 K HN 0.149 nan 8.250 nan 0.000 0.443 328 I N 0.151 120.700 120.570 -0.035 0.000 2.202 328 I HA -0.293 3.876 4.170 -0.001 0.000 0.242 328 I C 2.499 178.601 176.117 -0.024 0.000 1.091 328 I CA 0.991 62.267 61.300 -0.039 0.000 1.368 328 I CB -0.334 37.633 38.000 -0.056 0.000 1.058 328 I HN 0.157 nan 8.210 nan 0.000 0.410 329 S N 0.640 116.325 115.700 -0.026 0.000 2.370 329 S HA -0.283 4.186 4.470 -0.001 0.000 0.226 329 S C 2.240 176.836 174.600 -0.007 0.000 1.033 329 S CA 2.091 60.278 58.200 -0.021 0.000 1.011 329 S CB -0.333 62.850 63.200 -0.028 0.000 0.852 329 S HN 0.554 nan 8.310 nan 0.000 0.457 330 E N 0.578 120.773 120.200 -0.008 0.000 2.153 330 E HA -0.045 4.304 4.350 -0.001 0.000 0.194 330 E C 1.840 178.444 176.600 0.008 0.000 0.988 330 E CA 1.473 57.871 56.400 -0.003 0.000 0.811 330 E CB -0.792 28.904 29.700 -0.008 0.000 0.746 330 E HN 0.818 nan 8.360 nan 0.000 0.466 331 I N -0.332 120.245 120.570 0.013 0.000 2.406 331 I HA -0.067 4.102 4.170 -0.001 0.000 0.249 331 I C 2.674 178.830 176.117 0.066 0.000 1.122 331 I CA 0.552 61.872 61.300 0.033 0.000 1.431 331 I CB -0.006 38.012 38.000 0.031 0.000 1.087 331 I HN 0.204 nan 8.210 nan 0.000 0.424 332 L N 0.543 121.808 121.223 0.071 0.000 2.042 332 L HA -0.170 4.169 4.340 -0.001 0.000 0.210 332 L C 0.932 177.851 176.870 0.081 0.000 1.076 332 L CA 1.263 56.173 54.840 0.117 0.000 0.749 332 L CB -0.235 41.866 42.059 0.071 0.000 0.893 332 L HN 0.107 nan 8.230 nan 0.000 0.432 333 K N 1.333 121.757 120.400 0.040 0.000 2.229 333 K HA 0.296 4.615 4.320 -0.001 0.000 0.247 333 K C -0.635 175.974 176.600 0.015 0.000 1.117 333 K CA 0.099 56.400 56.287 0.023 0.000 1.036 333 K CB 1.157 33.663 32.500 0.010 0.000 1.654 333 K HN 0.085 nan 8.250 nan 0.000 0.405 341 K N 1.618 121.875 120.400 -0.238 0.000 2.295 341 K HA 0.503 4.822 4.320 -0.001 0.000 0.270 341 K C 1.239 177.645 176.600 -0.323 0.000 1.011 341 K CA 0.459 56.569 56.287 -0.296 0.000 0.953 341 K CB 1.232 33.450 32.500 -0.470 0.000 0.956 341 K HN 0.775 nan 8.250 nan 0.000 0.477 342 S N 1.673 117.274 115.700 -0.165 0.000 2.383 342 S HA -0.178 4.291 4.470 -0.001 0.000 0.229 342 S C 1.593 176.146 174.600 -0.077 0.000 1.030 342 S CA 1.522 59.667 58.200 -0.092 0.000 1.002 342 S CB -0.343 62.843 63.200 -0.023 0.000 0.829 342 S HN 0.691 nan 8.310 nan 0.000 0.467 343 F N 2.068 122.003 119.950 -0.025 0.000 2.269 343 F HA -0.021 4.505 4.527 -0.001 0.000 0.301 343 F C 1.962 177.759 175.800 -0.004 0.000 1.082 343 F CA 0.834 58.817 58.000 -0.027 0.000 1.360 343 F CB -1.010 37.976 39.000 -0.023 0.000 1.041 343 F HN 0.135 nan 8.300 nan 0.000 0.512 344 Q N 0.917 120.395 119.800 -0.536 0.000 2.119 344 Q HA -0.074 4.265 4.340 -0.001 0.000 0.201 344 Q C 2.348 178.302 176.000 -0.077 0.000 0.972 344 Q CA 2.006 57.636 55.803 -0.288 0.000 0.847 344 Q CB -0.261 28.221 28.738 -0.427 0.000 0.903 344 Q HN 0.558 nan 8.270 nan 0.000 0.433 345 I N 0.680 121.199 120.570 -0.084 0.000 2.163 345 I HA -0.262 3.907 4.170 -0.001 0.000 0.240 345 I C 2.470 178.628 176.117 0.068 0.000 1.081 345 I CA 1.048 62.342 61.300 -0.011 0.000 1.353 345 I CB -0.251 37.730 38.000 -0.031 0.000 1.054 345 I HN 0.091 nan 8.210 nan 0.000 0.407 346 K N 1.064 121.495 120.400 0.052 0.000 2.044 346 K HA -0.219 4.101 4.320 -0.001 0.000 0.210 346 K C 1.643 178.368 176.600 0.209 0.000 1.049 346 K CA 1.765 58.092 56.287 0.067 0.000 0.927 346 K CB -0.110 32.342 32.500 -0.079 0.000 0.713 346 K HN 0.301 nan 8.250 nan 0.000 0.443 347 N N 1.034 119.852 118.700 0.196 0.000 2.449 347 N HA -0.021 4.718 4.740 -0.001 0.000 0.191 347 N C -0.166 175.450 175.510 0.176 0.000 1.161 347 N CA 0.255 53.443 53.050 0.231 0.000 0.863 347 N CB 0.081 38.700 38.487 0.220 0.000 0.980 347 N HN 0.275 nan 8.380 nan 0.000 0.458 351 I N 6.231 126.855 120.570 0.089 0.000 2.377 351 I HA 0.532 4.701 4.170 -0.001 0.000 0.293 351 I C -1.435 174.712 176.117 0.051 0.000 0.987 351 I CA -0.295 61.135 61.300 0.217 0.000 1.185 351 I CB 1.000 39.197 38.000 0.328 0.000 1.341 351 I HN 0.372 nan 8.210 nan 0.000 0.455 352 F N 7.475 127.598 119.950 0.287 0.000 2.444 352 F HA 0.614 5.140 4.527 -0.001 0.000 0.342 352 F C -0.266 175.817 175.800 0.471 0.000 1.121 352 F CA -0.532 57.677 58.000 0.349 0.000 0.997 352 F CB 1.212 40.374 39.000 0.270 0.000 1.130 352 F HN 0.116 nan 8.300 nan 0.000 0.454 353 I N 2.903 123.822 120.570 0.582 0.000 2.499 353 I HA 0.298 4.468 4.170 -0.001 0.000 0.288 353 I C -1.042 175.163 176.117 0.147 0.000 1.048 353 I CA -0.703 60.823 61.300 0.377 0.000 1.062 353 I CB 2.157 40.341 38.000 0.306 0.000 1.238 353 I HN 0.461 nan 8.210 nan 0.000 0.426 354 N N 6.099 124.650 118.700 -0.249 0.000 2.483 354 N HA 0.617 5.356 4.740 -0.001 0.000 0.267 354 N C -1.104 174.181 175.510 -0.374 0.000 0.998 354 N CA -0.420 52.330 53.050 -0.500 0.000 0.918 354 N CB 1.283 38.964 38.487 -1.344 0.000 1.215 354 N HN 0.760 nan 8.380 nan 0.000 0.500 355 C N 1.982 121.035 119.300 -0.412 0.000 2.971 355 C HA 0.750 5.209 4.460 -0.001 0.000 0.310 355 C C -0.857 173.765 174.990 -0.614 0.000 1.285 355 C CA -1.218 57.336 59.018 -0.773 0.000 1.593 355 C CB 0.323 27.166 27.740 -1.495 0.000 2.076 355 C HN 0.541 nan 8.230 nan 0.000 0.472 356 L N 2.501 123.319 121.223 -0.674 0.000 2.325 356 L HA 0.644 4.983 4.340 -0.001 0.000 0.281 356 L C -0.662 175.961 176.870 -0.412 0.000 1.004 356 L CA -0.455 54.138 54.840 -0.411 0.000 0.823 356 L CB 1.380 43.285 42.059 -0.257 0.000 1.236 356 L HN 0.567 nan 8.230 nan 0.000 0.415 357 I N 2.397 122.772 120.570 -0.324 0.000 2.465 357 I HA 0.306 4.475 4.170 -0.001 0.000 0.291 357 I C 0.176 176.221 176.117 -0.119 0.000 1.014 357 I CA -0.611 60.531 61.300 -0.263 0.000 1.093 357 I CB 2.036 39.797 38.000 -0.399 0.000 1.267 357 I HN 0.622 nan 8.210 nan 0.000 0.431 358 E N 5.313 125.491 120.200 -0.037 0.000 2.324 358 E HA 0.092 4.441 4.350 -0.001 0.000 0.271 358 E C -0.297 176.299 176.600 -0.008 0.000 1.028 358 E CA -0.210 56.185 56.400 -0.007 0.000 0.890 358 E CB 0.240 29.955 29.700 0.026 0.000 1.004 358 E HN 0.339 nan 8.360 nan 0.000 0.431 359 N N 2.311 121.008 118.700 -0.005 0.000 2.689 359 N HA -0.132 4.608 4.740 -0.001 0.000 0.263 359 N C -2.492 173.008 175.510 -0.017 0.000 0.987 359 N CA 0.443 53.497 53.050 0.007 0.000 0.782 359 N CB -1.256 37.242 38.487 0.018 0.000 0.903 359 N HN 0.388 nan 8.380 nan 0.000 0.547 360 P HA 0.315 nan 4.420 nan 0.000 0.272 360 P C -0.511 176.643 177.300 -0.244 0.000 1.223 360 P CA -0.183 62.785 63.100 -0.221 0.000 0.784 360 P CB 0.945 32.443 31.700 -0.338 0.000 0.923 361 A N 1.805 124.379 122.820 -0.410 0.000 2.374 361 A HA 0.812 5.132 4.320 -0.001 0.000 0.317 361 A C -1.141 176.123 177.584 -0.533 0.000 1.094 361 A CA -0.494 51.386 52.037 -0.261 0.000 0.765 361 A CB 0.774 19.716 19.000 -0.097 0.000 1.268 361 A HN 0.402 nan 8.150 nan 0.000 0.438 362 F N -0.677 119.281 119.950 0.013 0.000 2.620 362 F HA 0.433 4.960 4.527 -0.001 0.000 0.320 362 F C 1.858 177.664 175.800 0.009 0.000 1.069 362 F CA 0.176 58.182 58.000 0.010 0.000 0.953 362 F CB 2.008 41.005 39.000 -0.004 0.000 1.322 362 F HN 0.670 nan 8.300 nan 0.000 0.479 363 T N -2.653 112.028 114.554 0.212 0.000 2.833 363 T HA 0.031 4.380 4.350 -0.001 0.000 0.269 363 T C 0.581 175.327 174.700 0.075 0.000 1.054 363 T CA 1.273 63.439 62.100 0.109 0.000 1.135 363 T CB -0.350 68.569 68.868 0.085 0.000 0.869 363 T HN 0.617 nan 8.240 nan 0.000 0.466 364 S N -0.806 114.944 115.700 0.082 0.000 2.671 364 S HA 0.475 4.944 4.470 -0.001 0.000 0.277 364 S C 0.538 175.124 174.600 -0.022 0.000 1.165 364 S CA -0.508 57.692 58.200 0.000 0.000 0.822 364 S CB 1.719 64.892 63.200 -0.045 0.000 1.150 364 S HN 0.042 nan 8.310 nan 0.000 0.479 365 Q N 1.149 120.899 119.800 -0.082 0.000 2.234 365 Q HA -0.090 4.250 4.340 -0.001 0.000 0.206 365 Q C 1.837 177.759 176.000 -0.131 0.000 0.980 365 Q CA 2.890 58.638 55.803 -0.092 0.000 0.869 365 Q CB -1.133 27.527 28.738 -0.131 0.000 0.912 365 Q HN 0.966 nan 8.270 nan 0.000 0.436 366 T N -2.585 111.892 114.554 -0.128 0.000 3.035 366 T HA -0.036 4.313 4.350 -0.001 0.000 0.268 366 T C 0.409 174.970 174.700 -0.231 0.000 1.109 366 T CA 0.695 62.705 62.100 -0.150 0.000 1.119 366 T CB -0.251 68.556 68.868 -0.102 0.000 0.900 366 T HN 0.463 nan 8.240 nan 0.000 0.503 367 K N 0.799 121.028 120.400 -0.286 0.000 3.071 367 K HA -0.196 4.123 4.320 -0.001 0.000 0.265 367 K C 0.561 176.971 176.600 -0.317 0.000 1.060 367 K CA 0.917 56.823 56.287 -0.635 0.000 0.767 367 K CB -1.462 30.264 32.500 -1.290 0.000 1.241 367 K HN 0.612 nan 8.250 nan 0.000 0.486 368 E N 0.504 120.664 120.200 -0.067 0.000 2.371 368 E HA -0.082 4.267 4.350 -0.001 0.000 0.194 368 E C 0.524 177.211 176.600 0.145 0.000 1.012 368 E CA 0.497 56.911 56.400 0.024 0.000 0.860 368 E CB 0.245 29.959 29.700 0.023 0.000 0.811 368 E HN 0.352 nan 8.360 nan 0.000 0.502 369 Q N 1.296 121.242 119.800 0.244 0.000 2.275 369 Q HA 0.247 4.586 4.340 -0.001 0.000 0.266 369 Q C -1.552 174.663 176.000 0.360 0.000 1.002 369 Q CA -0.623 55.346 55.803 0.276 0.000 0.761 369 Q CB 1.348 30.189 28.738 0.172 0.000 1.255 369 Q HN 0.022 nan 8.270 nan 0.000 0.446 370 L N 3.659 125.052 121.223 0.284 0.000 2.410 370 L HA 0.263 4.602 4.340 -0.001 0.000 0.273 370 L C 0.850 177.722 176.870 0.002 0.000 1.152 370 L CA 1.098 55.898 54.840 -0.066 0.000 0.855 370 L CB 1.143 43.087 42.059 -0.192 0.000 1.129 370 L HN 0.875 nan 8.230 nan 0.000 0.463 371 T N -1.374 113.112 114.554 -0.113 0.000 2.975 371 T HA 0.129 4.478 4.350 -0.001 0.000 0.257 371 T C 0.752 175.444 174.700 -0.013 0.000 1.003 371 T CA 0.093 62.183 62.100 -0.018 0.000 0.932 371 T CB -0.429 68.433 68.868 -0.010 0.000 1.087 371 T HN 0.571 nan 8.240 nan 0.000 0.512 372 T N 4.002 118.526 114.554 -0.049 0.000 2.891 372 T HA 0.093 4.443 4.350 -0.001 0.000 0.296 372 T C 0.401 175.146 174.700 0.075 0.000 1.025 372 T CA 0.203 62.320 62.100 0.029 0.000 1.149 372 T CB 0.187 69.098 68.868 0.071 0.000 1.007 372 T HN 0.377 nan 8.240 nan 0.000 0.528 373 R N 2.468 122.932 120.500 -0.061 0.000 2.590 373 R HA 0.125 4.464 4.340 -0.001 0.000 0.274 373 R C 1.624 177.574 176.300 -0.583 0.000 1.061 373 R CA -0.605 55.369 56.100 -0.211 0.000 1.081 373 R CB 0.322 30.522 30.300 -0.166 0.000 0.984 373 R HN 0.414 nan 8.270 nan 0.000 0.448 374 V N 3.561 122.924 119.914 -0.919 0.000 2.317 374 V HA -0.361 3.758 4.120 -0.001 0.000 0.251 374 V C 2.293 177.766 176.094 -1.035 0.000 1.065 374 V CA 2.386 63.661 62.300 -1.708 0.000 1.049 374 V CB -0.688 30.438 31.823 -1.162 0.000 0.651 374 V HN 0.836 nan 8.190 nan 0.000 0.450 375 K N -0.126 119.957 120.400 -0.527 0.000 2.360 375 K HA -0.180 4.140 4.320 -0.001 0.000 0.201 375 K C 0.878 177.365 176.600 -0.188 0.000 1.046 375 K CA 1.855 57.970 56.287 -0.287 0.000 0.945 375 K CB -0.241 32.148 32.500 -0.184 0.000 0.750 375 K HN 0.398 nan 8.250 nan 0.000 0.464 376 D N -0.071 120.211 120.400 -0.196 0.000 2.363 376 D HA 0.056 4.695 4.640 -0.001 0.000 0.214 376 D C 0.879 177.249 176.300 0.116 0.000 1.093 376 D CA -0.054 53.922 54.000 -0.040 0.000 0.837 376 D CB 0.071 40.853 40.800 -0.029 0.000 0.948 376 D HN 0.092 nan 8.370 nan 0.000 0.507 377 F N 1.108 121.037 119.950 -0.035 0.000 2.216 377 F HA 0.049 4.576 4.527 -0.001 0.000 0.300 377 F C 2.341 178.164 175.800 0.038 0.000 1.085 377 F CA 1.159 59.168 58.000 0.016 0.000 1.326 377 F CB -0.670 38.388 39.000 0.096 0.000 1.027 377 F HN 0.187 nan 8.300 nan 0.000 0.497 378 G N -0.513 108.423 108.800 0.226 0.000 2.175 378 G HA2 -0.209 3.750 3.960 -0.001 0.000 0.244 378 G HA3 -0.209 3.750 3.960 -0.001 0.000 0.244 378 G C 0.299 175.305 174.900 0.177 0.000 0.982 378 G CA 0.502 45.691 45.100 0.148 0.000 0.641 378 G HN 0.768 nan 8.290 nan 0.000 0.527 379 S N -1.420 114.445 115.700 0.276 0.000 2.643 379 S HA 0.846 5.315 4.470 -0.001 0.000 0.270 379 S C -0.637 174.136 174.600 0.288 0.000 1.166 379 S CA -0.131 58.245 58.200 0.292 0.000 0.815 379 S CB 1.792 65.241 63.200 0.415 0.000 1.139 379 S HN 1.341 nan 8.310 nan 0.000 0.472 380 R N -1.291 119.308 120.500 0.166 0.000 2.912 380 R HA 0.880 5.219 4.340 -0.001 0.000 0.262 380 R C -1.376 174.794 176.300 -0.216 0.000 1.057 380 R CA -1.018 55.109 56.100 0.045 0.000 0.981 380 R CB 1.309 31.639 30.300 0.051 0.000 1.201 380 R HN 0.763 nan 8.270 nan 0.000 0.484 381 C N 1.896 121.016 119.300 -0.301 0.000 3.123 381 C HA 0.311 4.771 4.460 -0.001 0.000 0.284 381 C C -0.771 173.953 174.990 -0.443 0.000 1.076 381 C CA -0.443 58.217 59.018 -0.597 0.000 1.416 381 C CB -0.116 26.820 27.740 -1.341 0.000 1.841 381 C HN 0.969 nan 8.230 nan 0.000 0.501 382 E N 4.429 124.475 120.200 -0.257 0.000 2.180 382 E HA 0.360 4.709 4.350 -0.001 0.000 0.283 382 E C 0.062 176.525 176.600 -0.227 0.000 1.061 382 E CA -0.238 56.029 56.400 -0.222 0.000 0.861 382 E CB 0.391 30.019 29.700 -0.120 0.000 1.056 382 E HN 0.605 nan 8.360 nan 0.000 0.407 383 I N 7.576 127.992 120.570 -0.258 0.000 2.517 383 I HA 0.147 4.317 4.170 -0.001 0.000 0.285 383 I C -1.892 174.154 176.117 -0.119 0.000 1.106 383 I CA -1.978 59.185 61.300 -0.228 0.000 1.402 383 I CB 0.083 37.951 38.000 -0.220 0.000 1.399 383 I HN 0.492 nan 8.210 nan 0.000 0.535 384 P HA 0.132 nan 4.420 nan 0.000 0.276 384 P C 0.814 178.129 177.300 0.026 0.000 1.244 384 P CA -0.614 62.475 63.100 -0.019 0.000 0.801 384 P CB 1.050 32.749 31.700 -0.002 0.000 1.006 385 L N 2.194 123.424 121.223 0.012 0.000 2.079 385 L HA -0.225 4.114 4.340 -0.001 0.000 0.210 385 L C 2.610 179.496 176.870 0.026 0.000 1.081 385 L CA 2.741 57.589 54.840 0.013 0.000 0.752 385 L CB -1.730 40.330 42.059 0.002 0.000 0.896 385 L HN 0.549 nan 8.230 nan 0.000 0.433 386 E N -1.438 118.785 120.200 0.038 0.000 2.085 386 E HA -0.360 3.989 4.350 -0.001 0.000 0.194 386 E C 2.144 178.773 176.600 0.049 0.000 0.994 386 E CA 1.899 58.322 56.400 0.038 0.000 0.801 386 E CB -1.531 28.197 29.700 0.046 0.000 0.743 386 E HN 0.702 nan 8.360 nan 0.000 0.453 387 Y N 0.488 120.759 120.300 -0.048 0.000 2.145 387 Y HA -0.130 4.419 4.550 -0.001 0.000 0.286 387 Y C 2.334 178.171 175.900 -0.105 0.000 1.145 387 Y CA 1.798 59.860 58.100 -0.064 0.000 1.148 387 Y CB 0.005 38.427 38.460 -0.064 0.000 0.981 387 Y HN 0.207 nan 8.280 nan 0.000 0.507 388 I N 0.607 121.208 120.570 0.051 0.000 2.208 388 I HA -0.326 3.843 4.170 -0.001 0.000 0.245 388 I C 1.847 177.897 176.117 -0.112 0.000 1.097 388 I CA 1.336 62.601 61.300 -0.058 0.000 1.363 388 I CB -1.475 36.513 38.000 -0.021 0.000 1.051 388 I HN 0.348 nan 8.210 nan 0.000 0.413 389 N N 1.229 119.888 118.700 -0.068 0.000 2.166 389 N HA -0.177 4.562 4.740 -0.001 0.000 0.186 389 N C 1.792 177.247 175.510 -0.091 0.000 1.019 389 N CA 1.158 54.173 53.050 -0.059 0.000 0.856 389 N CB -0.196 38.275 38.487 -0.027 0.000 0.993 389 N HN 0.426 nan 8.380 nan 0.000 0.426 390 K N 0.141 120.456 120.400 -0.141 0.000 2.103 390 K HA 0.070 4.389 4.320 -0.001 0.000 0.204 390 K C 1.002 177.476 176.600 -0.210 0.000 1.052 390 K CA 0.321 56.510 56.287 -0.165 0.000 0.945 390 K CB 0.099 32.472 32.500 -0.210 0.000 0.722 390 K HN 0.115 nan 8.250 nan 0.000 0.443 394 T N -1.606 112.951 114.554 0.004 0.000 2.849 394 T HA 0.199 4.548 4.350 -0.001 0.000 0.276 394 T C 0.846 175.565 174.700 0.032 0.000 0.971 394 T CA -0.296 61.833 62.100 0.048 0.000 0.949 394 T CB 1.020 69.972 68.868 0.140 0.000 1.093 394 T HN -0.180 nan 8.240 nan 0.000 0.545 395 D N -0.267 120.164 120.400 0.051 0.000 2.221 395 D HA -0.072 4.567 4.640 -0.001 0.000 0.204 395 D C 1.893 178.197 176.300 0.006 0.000 0.982 395 D CA 0.662 54.680 54.000 0.031 0.000 0.857 395 D CB -0.396 40.430 40.800 0.043 0.000 0.934 395 D HN 0.520 nan 8.370 nan 0.000 0.475 396 L N 0.323 121.572 121.223 0.043 0.000 2.043 396 L HA -0.250 4.089 4.340 -0.001 0.000 0.212 396 L C 2.155 178.939 176.870 -0.142 0.000 1.075 396 L CA 1.740 56.592 54.840 0.019 0.000 0.752 396 L CB -0.188 41.953 42.059 0.137 0.000 0.891 396 L HN 0.006 nan 8.230 nan 0.000 0.432 397 A N -0.547 122.136 122.820 -0.228 0.000 1.858 397 A HA -0.249 4.071 4.320 -0.001 0.000 0.216 397 A C 2.364 179.459 177.584 -0.816 0.000 1.190 397 A CA 2.434 54.128 52.037 -0.573 0.000 0.617 397 A CB -1.315 17.431 19.000 -0.424 0.000 0.827 397 A HN 0.616 nan 8.150 nan 0.000 0.443 398 T N -1.968 112.394 114.554 -0.320 0.000 2.915 398 T HA 0.015 4.364 4.350 -0.001 0.000 0.269 398 T C 1.258 175.926 174.700 -0.054 0.000 1.071 398 T CA 0.575 62.630 62.100 -0.074 0.000 1.132 398 T CB -0.272 68.631 68.868 0.058 0.000 0.878 398 T HN 0.432 nan 8.240 nan 0.000 0.479 402 E N 1.252 121.555 120.200 0.172 0.000 2.077 402 E HA -0.133 4.216 4.350 -0.001 0.000 0.193 402 E C 2.053 178.693 176.600 0.067 0.000 0.989 402 E CA 1.955 58.414 56.400 0.098 0.000 0.800 402 E CB -0.090 29.649 29.700 0.065 0.000 0.746 402 E HN 0.402 nan 8.360 nan 0.000 0.452 403 I N 0.391 120.990 120.570 0.049 0.000 2.252 403 I HA -0.229 3.940 4.170 -0.001 0.000 0.245 403 I C 2.447 178.585 176.117 0.034 0.000 1.102 403 I CA 0.815 62.130 61.300 0.025 0.000 1.385 403 I CB -0.240 37.754 38.000 -0.009 0.000 1.064 403 I HN 0.147 nan 8.210 nan 0.000 0.414 404 A N 0.642 123.501 122.820 0.064 0.000 1.902 404 A HA -0.246 4.073 4.320 -0.001 0.000 0.217 404 A C 1.949 179.562 177.584 0.049 0.000 1.181 404 A CA 2.116 54.193 52.037 0.067 0.000 0.623 404 A CB -0.598 18.478 19.000 0.127 0.000 0.818 404 A HN 0.341 nan 8.150 nan 0.000 0.443 405 D N 0.080 120.515 120.400 0.057 0.000 2.117 405 D HA 0.099 4.738 4.640 -0.001 0.000 0.197 405 D C 1.242 177.556 176.300 0.024 0.000 0.987 405 D CA 1.366 55.386 54.000 0.033 0.000 0.829 405 D CB -0.347 40.474 40.800 0.035 0.000 0.961 405 D HN 0.482 nan 8.370 nan 0.000 0.460 406 A N 0.000 122.837 122.820 0.028 0.000 2.254 406 A HA 0.000 4.319 4.320 -0.001 0.000 0.244 406 A CA 0.000 52.050 52.037 0.021 0.000 0.836 406 A CB 0.000 19.014 19.000 0.023 0.000 0.831 406 A HN 0.000 nan 8.150 nan 0.000 0.486