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 3fmw_1_C DATA FIRST_RESID 12 DATA SEQUENCE TTDVVVVGGG PVGLMLAGEL RAGGVGALVL EKLVEPVGHD RAGALHIRTV DATA SEQUENCE ETLDLRGLLD RFLEGTQVAK GLPFAGIFTQ GLDFGLVDTR HPYTGLVPQS DATA SEQUENCE RTEALLAEHA REAGAEIPRG HEVTRLRQDA EAVEVTVAGP SGPYPVRARY DATA SEQUENCE GVGCDGGRST VRRLAADRFP GTEATVRALI GYVTTPEREV PRRWERTPDG DATA SEQUENCE ILVLAFPPXX XXXXGWSSSS TGHSXXXDEG PVTLEDLGAA VARVRGTPLT DATA SEQUENCE LTEPVSWLSR FGDASRQAKR YRSGRVLLAG DAAHVHFPIG GQGLNTGLQD DATA SEQUENCE AVNLGWKLAA RVRGWGSEEL LDTYHDERHP VAERVLLNTR AQLALMRPDE DATA SEQUENCE QHTTPLRGFV EELLGTDEVN RYFTGMITGT DVRYATFAPA XSARPHPWPG DATA SEQUENCE RFAGGLVLSR PSGEPVPVAE LLRSARPLLL DLAGRADLRE ATRPWSDRVS DATA SEQUENCE VVAGEATVEP PAQALLVRPD GYVAWAGSPA ATADELRASL ARWFGPPAN 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 12 T HA 0.000 nan 4.350 nan 0.000 0.228 12 T C 0.000 174.689 174.700 -0.019 0.000 1.109 12 T CA 0.000 62.089 62.100 -0.019 0.000 1.349 12 T CB 0.000 68.855 68.868 -0.022 0.000 0.612 13 T N 1.424 115.969 114.554 -0.015 0.000 4.519 13 T HA 0.330 4.679 4.350 -0.000 0.000 0.261 13 T C 0.238 174.937 174.700 -0.001 0.000 0.931 13 T CA 0.044 62.136 62.100 -0.013 0.000 1.158 13 T CB 0.480 69.335 68.868 -0.021 0.000 0.926 13 T HN 0.220 nan 8.240 nan 0.000 0.504 14 D N 1.242 121.645 120.400 0.006 0.000 4.002 14 D HA -0.218 4.422 4.640 -0.000 0.000 0.429 14 D C 0.428 176.754 176.300 0.043 0.000 0.498 14 D CA 1.889 55.903 54.000 0.024 0.000 1.251 14 D CB -0.450 40.364 40.800 0.022 0.000 0.472 14 D HN 0.435 nan 8.370 nan 0.000 0.263 15 V N 0.122 120.059 119.914 0.039 0.000 2.638 15 V HA 0.495 4.615 4.120 -0.000 0.000 0.306 15 V C -0.282 175.830 176.094 0.030 0.000 1.052 15 V CA -0.743 61.588 62.300 0.052 0.000 0.885 15 V CB 2.371 34.220 31.823 0.044 0.000 0.999 15 V HN 0.152 nan 8.190 nan 0.000 0.424 16 V N 5.367 125.300 119.914 0.032 0.000 2.334 16 V HA 0.420 4.540 4.120 -0.000 0.000 0.281 16 V C -0.129 175.976 176.094 0.018 0.000 1.016 16 V CA -0.589 61.723 62.300 0.020 0.000 0.832 16 V CB 1.800 33.636 31.823 0.021 0.000 0.999 16 V HN 0.623 nan 8.190 nan 0.000 0.439 17 V N 7.261 127.182 119.914 0.012 0.000 2.481 17 V HA 0.517 4.637 4.120 -0.000 0.000 0.286 17 V C -0.172 175.927 176.094 0.008 0.000 1.042 17 V CA -0.132 62.172 62.300 0.008 0.000 0.928 17 V CB 2.001 33.828 31.823 0.007 0.000 0.986 17 V HN 0.622 nan 8.190 nan 0.000 0.462 18 V N 6.278 126.194 119.914 0.004 0.000 2.318 18 V HA 0.889 5.009 4.120 -0.000 0.000 0.271 18 V C 0.497 176.592 176.094 0.002 0.000 1.030 18 V CA 0.328 62.631 62.300 0.005 0.000 0.844 18 V CB 0.122 31.944 31.823 -0.002 0.000 1.015 18 V HN 1.438 nan 8.190 nan 0.000 0.460 19 G N 3.039 111.845 108.800 0.010 0.000 3.088 19 G HA2 0.273 4.233 3.960 -0.000 0.000 0.620 19 G HA3 0.273 4.233 3.960 -0.000 0.000 0.620 19 G C 0.141 175.051 174.900 0.017 0.000 1.375 19 G CA -0.442 44.664 45.100 0.011 0.000 1.016 19 G HN 1.040 nan 8.290 nan 0.000 0.590 20 G N 0.479 109.292 108.800 0.022 0.000 3.383 20 G HA2 0.574 4.534 3.960 -0.000 0.000 0.251 20 G HA3 0.574 4.534 3.960 -0.000 0.000 0.251 20 G C 1.059 175.975 174.900 0.026 0.000 1.203 20 G CA 0.997 46.113 45.100 0.026 0.000 0.852 20 G HN 1.261 nan 8.290 nan 0.000 0.531 21 G N 0.533 109.346 108.800 0.021 0.000 2.683 21 G HA2 0.358 4.318 3.960 -0.000 0.000 0.260 21 G HA3 0.358 4.318 3.960 -0.000 0.000 0.260 21 G C -0.928 173.990 174.900 0.029 0.000 1.238 21 G CA -0.685 44.426 45.100 0.018 0.000 0.934 21 G HN 0.007 nan 8.290 nan 0.000 0.534 22 P HA -0.129 nan 4.420 nan 0.000 0.212 22 P C 2.231 179.563 177.300 0.054 0.000 1.178 22 P CA 1.238 64.366 63.100 0.047 0.000 0.915 22 P CB -0.145 31.580 31.700 0.042 0.000 0.788 23 V N 0.016 119.961 119.914 0.050 0.000 2.313 23 V HA -0.285 3.835 4.120 -0.000 0.000 0.253 23 V C 2.580 178.706 176.094 0.053 0.000 1.070 23 V CA 2.594 64.930 62.300 0.060 0.000 1.057 23 V CB -2.058 29.800 31.823 0.059 0.000 0.653 23 V HN 0.250 nan 8.190 nan 0.000 0.450 24 G N -0.542 108.281 108.800 0.039 0.000 2.404 24 G HA2 -0.175 3.785 3.960 -0.000 0.000 0.215 24 G HA3 -0.175 3.785 3.960 -0.000 0.000 0.215 24 G C 1.556 176.482 174.900 0.045 0.000 1.174 24 G CA 0.951 46.071 45.100 0.034 0.000 0.780 24 G HN 0.470 nan 8.290 nan 0.000 0.537 25 L N -0.468 120.787 121.223 0.053 0.000 2.017 25 L HA -0.099 4.241 4.340 -0.000 0.000 0.208 25 L C 2.828 179.749 176.870 0.086 0.000 1.073 25 L CA 1.546 56.427 54.840 0.068 0.000 0.745 25 L CB -0.447 41.656 42.059 0.073 0.000 0.894 25 L HN 0.277 nan 8.230 nan 0.000 0.432 26 M N 0.308 119.957 119.600 0.081 0.000 2.082 26 M HA -0.255 4.225 4.480 -0.000 0.000 0.258 26 M C 2.132 178.483 176.300 0.085 0.000 1.071 26 M CA 1.924 57.274 55.300 0.082 0.000 1.103 26 M CB -0.603 32.039 32.600 0.071 0.000 1.307 26 M HN 0.119 nan 8.290 nan 0.000 0.409 27 L N 0.428 121.692 121.223 0.070 0.000 2.081 27 L HA -0.104 4.236 4.340 -0.000 0.000 0.212 27 L C 2.311 179.214 176.870 0.055 0.000 1.080 27 L CA 2.251 57.123 54.840 0.054 0.000 0.754 27 L CB -1.264 40.811 42.059 0.027 0.000 0.893 27 L HN 0.418 nan 8.230 nan 0.000 0.433 28 A N -0.658 122.198 122.820 0.061 0.000 1.877 28 A HA -0.089 4.231 4.320 -0.000 0.000 0.216 28 A C 2.376 180.013 177.584 0.089 0.000 1.186 28 A CA 1.629 53.702 52.037 0.061 0.000 0.620 28 A CB -1.600 17.434 19.000 0.057 0.000 0.822 28 A HN 0.513 nan 8.150 nan 0.000 0.443 29 G N -0.825 108.055 108.800 0.135 0.000 2.446 29 G HA2 -0.199 3.761 3.960 -0.000 0.000 0.217 29 G HA3 -0.199 3.761 3.960 -0.000 0.000 0.217 29 G C 1.461 176.464 174.900 0.172 0.000 1.168 29 G CA 1.323 46.546 45.100 0.206 0.000 0.771 29 G HN 0.488 nan 8.290 nan 0.000 0.551 30 E N 0.299 120.585 120.200 0.143 0.000 2.204 30 E HA 0.020 4.370 4.350 -0.000 0.000 0.195 30 E C 2.703 179.380 176.600 0.128 0.000 0.990 30 E CA 0.805 57.294 56.400 0.147 0.000 0.821 30 E CB -0.206 29.584 29.700 0.150 0.000 0.750 30 E HN 0.550 nan 8.360 nan 0.000 0.477 31 L N -0.251 121.025 121.223 0.088 0.000 2.109 31 L HA -0.037 4.303 4.340 -0.000 0.000 0.207 31 L C 2.753 179.665 176.870 0.070 0.000 1.086 31 L CA 0.959 55.835 54.840 0.059 0.000 0.760 31 L CB -0.278 41.797 42.059 0.026 0.000 0.910 31 L HN 0.102 nan 8.230 nan 0.000 0.437 32 R N 0.261 120.807 120.500 0.076 0.000 2.073 32 R HA 0.009 4.349 4.340 -0.000 0.000 0.229 32 R C 2.276 178.629 176.300 0.088 0.000 1.120 32 R CA 1.324 57.465 56.100 0.068 0.000 0.967 32 R CB -0.899 29.430 30.300 0.048 0.000 0.862 32 R HN 0.281 nan 8.270 nan 0.000 0.436 33 A N 0.350 123.239 122.820 0.116 0.000 2.076 33 A HA -0.058 4.262 4.320 -0.000 0.000 0.220 33 A C 1.995 179.666 177.584 0.146 0.000 1.160 33 A CA 1.710 53.825 52.037 0.131 0.000 0.653 33 A CB -0.604 18.492 19.000 0.160 0.000 0.801 33 A HN 0.411 nan 8.150 nan 0.000 0.455 34 G N -2.075 106.819 108.800 0.155 0.000 3.088 34 G HA2 0.397 4.357 3.960 -0.000 0.000 0.217 34 G HA3 0.397 4.357 3.960 -0.000 0.000 0.217 34 G C 0.980 175.989 174.900 0.181 0.000 1.159 34 G CA 0.430 45.650 45.100 0.199 0.000 0.760 34 G HN 1.572 nan 8.290 nan 0.000 0.550 35 G N -1.017 107.862 108.800 0.132 0.000 2.204 35 G HA2 -0.108 3.852 3.960 -0.000 0.000 0.244 35 G HA3 -0.108 3.852 3.960 -0.000 0.000 0.244 35 G C -0.246 174.703 174.900 0.081 0.000 1.062 35 G CA 0.081 45.250 45.100 0.115 0.000 0.798 35 G HN 0.834 nan 8.290 nan 0.000 0.496 36 V N -0.605 119.344 119.914 0.058 0.000 2.876 36 V HA 0.835 4.955 4.120 -0.000 0.000 0.312 36 V C 0.966 177.078 176.094 0.029 0.000 1.085 36 V CA -0.307 62.013 62.300 0.034 0.000 0.945 36 V CB 2.079 33.908 31.823 0.010 0.000 1.017 36 V HN 0.961 nan 8.190 nan 0.000 0.428 37 G N 2.114 110.927 108.800 0.023 0.000 2.378 37 G HA2 0.550 4.510 3.960 -0.000 0.000 0.255 37 G HA3 0.550 4.510 3.960 -0.000 0.000 0.255 37 G C -0.159 174.750 174.900 0.015 0.000 1.270 37 G CA 0.455 45.565 45.100 0.017 0.000 0.876 37 G HN 1.178 nan 8.290 nan 0.000 0.521 38 A N 2.029 124.857 122.820 0.013 0.000 2.355 38 A HA 0.721 5.041 4.320 -0.000 0.000 0.317 38 A C -1.057 176.530 177.584 0.005 0.000 1.094 38 A CA -0.636 51.409 52.037 0.013 0.000 0.764 38 A CB 1.867 20.880 19.000 0.021 0.000 1.230 38 A HN 1.030 nan 8.150 nan 0.000 0.448 39 L N 3.261 124.485 121.223 0.003 0.000 2.404 39 L HA 0.617 4.957 4.340 -0.000 0.000 0.272 39 L C -1.223 175.644 176.870 -0.005 0.000 0.980 39 L CA -0.286 54.550 54.840 -0.008 0.000 0.836 39 L CB 1.834 43.886 42.059 -0.012 0.000 1.238 39 L HN 0.411 nan 8.230 nan 0.000 0.408 40 V N 5.552 125.459 119.914 -0.011 0.000 2.370 40 V HA 0.679 4.799 4.120 -0.000 0.000 0.283 40 V C 0.383 176.463 176.094 -0.023 0.000 1.023 40 V CA -0.428 61.868 62.300 -0.006 0.000 0.857 40 V CB 1.140 32.966 31.823 0.005 0.000 0.985 40 V HN 0.733 nan 8.190 nan 0.000 0.443 41 L N 3.785 125.003 121.223 -0.008 0.000 2.276 41 L HA 0.925 5.265 4.340 -0.000 0.000 0.286 41 L C -0.060 176.828 176.870 0.029 0.000 1.024 41 L CA -0.676 54.162 54.840 -0.003 0.000 0.826 41 L CB 0.907 42.985 42.059 0.031 0.000 1.211 41 L HN 0.960 nan 8.230 nan 0.000 0.422 42 E N 2.320 122.547 120.200 0.045 0.000 2.151 42 E HA 0.349 4.699 4.350 -0.000 0.000 0.275 42 E C 0.954 177.601 176.600 0.079 0.000 0.936 42 E CA -0.288 56.145 56.400 0.054 0.000 0.777 42 E CB 1.644 31.372 29.700 0.047 0.000 1.108 42 E HN 0.657 nan 8.360 nan 0.000 0.401 43 K N 3.628 124.060 120.400 0.053 0.000 1.977 43 K HA -0.143 4.177 4.320 -0.000 0.000 0.218 43 K C 0.312 176.939 176.600 0.044 0.000 1.051 43 K CA 1.102 57.415 56.287 0.044 0.000 0.953 43 K CB -0.187 32.328 32.500 0.024 0.000 0.727 43 K HN 0.560 nan 8.250 nan 0.000 0.445 44 L N 0.141 121.389 121.223 0.041 0.000 2.474 44 L HA -0.067 4.273 4.340 -0.000 0.000 0.259 44 L C 1.310 178.209 176.870 0.048 0.000 1.232 44 L CA 0.231 55.094 54.840 0.038 0.000 0.821 44 L CB 0.956 43.039 42.059 0.039 0.000 1.108 44 L HN 0.066 nan 8.230 nan 0.000 0.495 45 V N -1.329 118.608 119.914 0.039 0.000 2.908 45 V HA 0.183 4.303 4.120 -0.000 0.000 0.240 45 V C 0.764 176.881 176.094 0.038 0.000 1.117 45 V CA 1.032 63.358 62.300 0.043 0.000 1.133 45 V CB -0.124 31.716 31.823 0.029 0.000 0.857 45 V HN 0.776 nan 8.190 nan 0.000 0.478 46 E N 1.772 121.991 120.200 0.030 0.000 2.073 46 E HA 0.566 4.916 4.350 -0.000 0.000 0.269 46 E C -2.610 174.009 176.600 0.032 0.000 0.917 46 E CA -2.092 54.324 56.400 0.027 0.000 0.757 46 E CB 0.331 30.043 29.700 0.019 0.000 1.111 46 E HN 0.355 nan 8.360 nan 0.000 0.410 47 P HA 0.159 nan 4.420 nan 0.000 0.264 47 P C -0.489 176.843 177.300 0.052 0.000 1.183 47 P CA -0.028 63.096 63.100 0.039 0.000 0.763 47 P CB 0.882 32.600 31.700 0.030 0.000 0.807 48 V N 0.484 120.446 119.914 0.081 0.000 2.462 48 V HA 0.620 4.740 4.120 -0.000 0.000 0.288 48 V C 0.770 176.972 176.094 0.181 0.000 1.020 48 V CA -0.160 62.240 62.300 0.167 0.000 0.857 48 V CB 1.143 33.077 31.823 0.186 0.000 1.013 48 V HN 0.645 nan 8.190 nan 0.000 0.431 49 G N 2.987 111.854 108.800 0.111 0.000 2.599 49 G HA2 0.161 4.121 3.960 -0.000 0.000 0.210 49 G HA3 0.161 4.121 3.960 -0.000 0.000 0.210 49 G C 1.042 175.689 174.900 -0.421 0.000 1.177 49 G CA 1.121 46.150 45.100 -0.118 0.000 0.835 49 G HN 1.214 nan 8.290 nan 0.000 0.575 50 H N 2.211 121.127 119.070 -0.257 0.000 1.452 50 H HA -0.331 4.225 4.556 -0.000 0.000 0.090 50 H C 0.703 175.544 175.328 -0.811 0.000 1.278 50 H CA 1.766 57.509 56.048 -0.508 0.000 1.901 50 H CB -2.490 26.951 29.762 -0.536 0.000 2.257 50 H HN 0.470 nan 8.280 nan 0.000 0.961 51 D N 2.656 122.248 120.400 -1.347 0.000 2.349 51 D HA 0.085 4.725 4.640 -0.000 0.000 0.239 51 D C 0.919 176.875 176.300 -0.572 0.000 1.315 51 D CA 0.821 54.184 54.000 -1.062 0.000 0.937 51 D CB 0.179 40.739 40.800 -0.400 0.000 1.133 51 D HN 0.710 nan 8.370 nan 0.000 0.489 52 R N -2.455 117.843 120.500 -0.337 0.000 3.989 52 R HA -0.148 4.192 4.340 -0.000 0.000 0.377 52 R C 0.104 176.279 176.300 -0.209 0.000 1.158 52 R CA 0.614 56.553 56.100 -0.270 0.000 1.035 52 R CB -2.462 27.668 30.300 -0.283 0.000 1.557 52 R HN 0.692 nan 8.270 nan 0.000 0.551 53 A N 1.180 123.872 122.820 -0.213 0.000 2.600 53 A HA 0.223 4.543 4.320 -0.000 0.000 0.253 53 A C 1.158 178.694 177.584 -0.080 0.000 0.997 53 A CA 1.361 53.318 52.037 -0.133 0.000 0.820 53 A CB 0.056 19.006 19.000 -0.084 0.000 0.888 53 A HN 0.464 nan 8.150 nan 0.000 0.508 54 G N 0.523 109.284 108.800 -0.064 0.000 2.535 54 G HA2 0.756 4.716 3.960 -0.000 0.000 0.303 54 G HA3 0.756 4.716 3.960 -0.000 0.000 0.303 54 G C -0.109 174.765 174.900 -0.042 0.000 1.237 54 G CA -0.049 45.020 45.100 -0.052 0.000 0.986 54 G HN 2.180 nan 8.290 nan 0.000 0.494 55 A N -0.231 122.539 122.820 -0.084 0.000 2.512 55 A HA 0.504 4.823 4.320 -0.000 0.000 0.290 55 A C -0.894 176.506 177.584 -0.306 0.000 1.041 55 A CA -0.555 51.394 52.037 -0.146 0.000 0.911 55 A CB 0.348 19.265 19.000 -0.138 0.000 1.407 55 A HN 0.611 nan 8.150 nan 0.000 0.398 56 L N 3.767 124.857 121.223 -0.221 0.000 2.257 56 L HA 0.452 4.792 4.340 -0.000 0.000 0.290 56 L C 0.471 177.177 176.870 -0.273 0.000 1.044 56 L CA -0.497 54.198 54.840 -0.241 0.000 0.810 56 L CB 0.581 42.550 42.059 -0.150 0.000 1.193 56 L HN 0.817 nan 8.230 nan 0.000 0.425 57 H N 2.051 121.050 119.070 -0.118 0.000 2.408 57 H HA 0.200 4.756 4.556 -0.000 0.000 0.345 57 H C 1.465 176.611 175.328 -0.304 0.000 1.547 57 H CA -0.516 55.411 56.048 -0.202 0.000 1.447 57 H CB 1.274 30.932 29.762 -0.175 0.000 1.686 57 H HN 0.621 nan 8.280 nan 0.000 0.625 58 I N -1.043 119.374 120.570 -0.255 0.000 2.076 58 I HA -0.232 3.938 4.170 -0.000 0.000 0.237 58 I C 2.419 178.363 176.117 -0.288 0.000 1.059 58 I CA 1.568 62.658 61.300 -0.350 0.000 1.317 58 I CB -0.406 37.357 38.000 -0.396 0.000 1.037 58 I HN 0.362 nan 8.210 nan 0.000 0.398 59 R N 1.627 121.965 120.500 -0.271 0.000 2.117 59 R HA -0.139 4.201 4.340 -0.000 0.000 0.243 59 R C 2.143 178.267 176.300 -0.293 0.000 1.143 59 R CA 2.653 58.554 56.100 -0.332 0.000 0.968 59 R CB -1.510 28.595 30.300 -0.325 0.000 0.863 59 R HN 0.572 nan 8.270 nan 0.000 0.444 60 T N -0.292 114.133 114.554 -0.215 0.000 2.701 60 T HA -0.077 4.273 4.350 -0.000 0.000 0.263 60 T C 1.848 176.398 174.700 -0.251 0.000 1.040 60 T CA 1.544 63.529 62.100 -0.192 0.000 1.147 60 T CB -0.376 68.400 68.868 -0.153 0.000 0.865 60 T HN 0.024 nan 8.240 nan 0.000 0.426 61 V N 1.688 121.425 119.914 -0.296 0.000 2.287 61 V HA -0.225 3.895 4.120 -0.000 0.000 0.248 61 V C 2.531 178.383 176.094 -0.403 0.000 1.053 61 V CA 1.807 63.883 62.300 -0.373 0.000 1.027 61 V CB -0.663 30.887 31.823 -0.455 0.000 0.646 61 V HN 0.557 nan 8.190 nan 0.000 0.447 62 E N -0.405 119.591 120.200 -0.341 0.000 2.097 62 E HA -0.243 4.107 4.350 -0.000 0.000 0.196 62 E C 2.300 178.847 176.600 -0.088 0.000 1.000 62 E CA 1.918 58.204 56.400 -0.190 0.000 0.804 62 E CB -0.333 29.363 29.700 -0.007 0.000 0.740 62 E HN 0.562 nan 8.360 nan 0.000 0.454 63 T N 1.352 115.828 114.554 -0.129 0.000 2.746 63 T HA -0.108 4.242 4.350 -0.000 0.000 0.267 63 T C 1.856 176.499 174.700 -0.095 0.000 1.039 63 T CA 0.741 62.805 62.100 -0.060 0.000 1.142 63 T CB -0.136 68.687 68.868 -0.075 0.000 0.866 63 T HN 0.104 nan 8.240 nan 0.000 0.444 64 L N 0.936 122.042 121.223 -0.196 0.000 2.191 64 L HA -0.117 4.223 4.340 -0.000 0.000 0.212 64 L C 2.490 179.258 176.870 -0.169 0.000 1.103 64 L CA 1.148 55.842 54.840 -0.243 0.000 0.769 64 L CB -0.529 41.271 42.059 -0.433 0.000 0.908 64 L HN 0.234 nan 8.230 nan 0.000 0.438 65 D N 0.297 120.599 120.400 -0.163 0.000 2.178 65 D HA -0.138 4.502 4.640 -0.000 0.000 0.202 65 D C 1.999 178.278 176.300 -0.036 0.000 0.974 65 D CA 0.862 54.803 54.000 -0.097 0.000 0.841 65 D CB 0.149 40.877 40.800 -0.119 0.000 0.953 65 D HN 0.080 nan 8.370 nan 0.000 0.478 66 L N 0.282 121.489 121.223 -0.027 0.000 2.450 66 L HA -0.013 4.327 4.340 -0.000 0.000 0.224 66 L C 1.880 178.745 176.870 -0.008 0.000 1.149 66 L CA 1.024 55.858 54.840 -0.010 0.000 0.816 66 L CB -0.344 41.724 42.059 0.014 0.000 0.932 66 L HN -0.040 nan 8.230 nan 0.000 0.449 67 R N -0.959 119.528 120.500 -0.022 0.000 2.543 67 R HA 0.333 4.673 4.340 -0.000 0.000 0.323 67 R C 1.209 177.508 176.300 -0.003 0.000 1.002 67 R CA 0.556 56.647 56.100 -0.015 0.000 1.106 67 R CB 0.143 30.409 30.300 -0.057 0.000 1.280 67 R HN 0.254 nan 8.270 nan 0.000 0.549 68 G N 1.501 110.304 108.800 0.006 0.000 2.200 68 G HA2 -0.294 3.666 3.960 -0.000 0.000 0.267 68 G HA3 -0.294 3.666 3.960 -0.000 0.000 0.267 68 G C 0.842 175.771 174.900 0.050 0.000 0.993 68 G CA 0.651 45.771 45.100 0.035 0.000 0.701 68 G HN 0.368 nan 8.290 nan 0.000 0.524 69 L N -1.042 120.187 121.223 0.010 0.000 2.418 69 L HA 0.170 4.510 4.340 -0.000 0.000 0.218 69 L C 2.693 179.659 176.870 0.159 0.000 1.125 69 L CA 0.573 55.462 54.840 0.080 0.000 0.835 69 L CB -0.269 41.782 42.059 -0.012 0.000 0.953 69 L HN 0.317 nan 8.230 nan 0.000 0.454 70 L N 0.407 121.637 121.223 0.012 0.000 2.042 70 L HA -0.244 4.096 4.340 -0.000 0.000 0.210 70 L C 1.937 178.904 176.870 0.161 0.000 1.076 70 L CA 1.901 56.750 54.840 0.015 0.000 0.749 70 L CB -0.626 41.397 42.059 -0.061 0.000 0.893 70 L HN 0.207 nan 8.230 nan 0.000 0.432 71 D N -0.126 120.357 120.400 0.137 0.000 2.158 71 D HA -0.207 4.433 4.640 -0.000 0.000 0.197 71 D C 2.384 178.775 176.300 0.151 0.000 0.995 71 D CA 1.777 55.856 54.000 0.131 0.000 0.846 71 D CB -0.143 40.716 40.800 0.098 0.000 0.941 71 D HN 0.465 nan 8.370 nan 0.000 0.456 72 R N -0.009 120.612 120.500 0.201 0.000 2.193 72 R HA 0.049 4.389 4.340 -0.000 0.000 0.213 72 R C 2.031 178.369 176.300 0.063 0.000 1.055 72 R CA 0.671 56.845 56.100 0.123 0.000 0.995 72 R CB -1.526 28.830 30.300 0.093 0.000 0.893 72 R HN 0.290 nan 8.270 nan 0.000 0.459 73 F N -0.306 119.658 119.950 0.022 0.000 2.754 73 F HA 0.286 4.813 4.527 -0.000 0.000 0.297 73 F C 1.657 177.480 175.800 0.039 0.000 1.122 73 F CA 0.041 58.056 58.000 0.024 0.000 1.400 73 F CB 0.600 39.609 39.000 0.015 0.000 1.117 73 F HN -0.021 nan 8.300 nan 0.000 0.587 74 L N 0.254 121.602 121.223 0.207 0.000 2.611 74 L HA 0.053 4.393 4.340 -0.000 0.000 0.229 74 L C 2.244 179.163 176.870 0.081 0.000 1.137 74 L CA 0.872 55.797 54.840 0.143 0.000 0.901 74 L CB -1.138 41.001 42.059 0.133 0.000 1.098 74 L HN 0.304 nan 8.230 nan 0.000 0.456 75 E N 0.837 121.072 120.200 0.059 0.000 2.152 75 E HA 0.038 4.387 4.350 -0.000 0.000 0.192 75 E C 1.350 177.966 176.600 0.027 0.000 0.983 75 E CA 0.814 57.232 56.400 0.029 0.000 0.818 75 E CB -0.314 29.390 29.700 0.007 0.000 0.758 75 E HN 0.451 nan 8.360 nan 0.000 0.467 76 G N -0.098 108.723 108.800 0.034 0.000 2.370 76 G HA2 0.463 4.423 3.960 -0.000 0.000 0.272 76 G HA3 0.463 4.423 3.960 -0.000 0.000 0.272 76 G C 0.485 175.419 174.900 0.057 0.000 1.208 76 G CA 0.308 45.431 45.100 0.039 0.000 0.856 76 G HN 0.566 nan 8.290 nan 0.000 0.500 77 T N 0.875 115.457 114.554 0.047 0.000 3.462 77 T HA 0.546 4.896 4.350 -0.000 0.000 0.257 77 T C 1.015 175.755 174.700 0.067 0.000 1.015 77 T CA 0.701 62.830 62.100 0.047 0.000 1.135 77 T CB -0.690 68.199 68.868 0.034 0.000 1.061 77 T HN 1.122 nan 8.240 nan 0.000 0.772 78 Q N 0.691 120.547 119.800 0.093 0.000 3.047 78 Q HA 0.832 5.172 4.340 -0.000 0.000 0.188 78 Q C 0.821 176.892 176.000 0.119 0.000 1.187 78 Q CA 1.440 57.324 55.803 0.135 0.000 1.296 78 Q CB -0.763 28.107 28.738 0.218 0.000 1.368 78 Q HN 2.546 nan 8.270 nan 0.000 0.711 79 V N -5.258 114.764 119.914 0.179 0.000 2.666 79 V HA 0.523 4.642 4.120 -0.000 0.000 0.310 79 V C 0.370 176.599 176.094 0.224 0.000 1.971 79 V CA 0.325 62.721 62.300 0.161 0.000 0.865 79 V CB -0.866 31.016 31.823 0.099 0.000 1.202 79 V HN 2.878 nan 8.190 nan 0.000 0.315 80 A N -1.052 121.870 122.820 0.171 0.000 2.012 80 A HA 0.604 4.924 4.320 -0.000 0.000 0.504 80 A C 0.429 178.135 177.584 0.204 0.000 0.596 80 A CA 1.784 53.913 52.037 0.154 0.000 0.413 80 A CB -1.996 17.122 19.000 0.196 0.000 2.918 80 A HN 3.000 nan 8.150 nan 0.000 0.406 81 K N 0.862 121.284 120.400 0.038 0.000 2.593 81 K HA 0.643 4.963 4.320 -0.000 0.000 0.208 81 K C 1.634 177.923 176.600 -0.519 0.000 1.051 81 K CA 1.288 57.587 56.287 0.020 0.000 1.111 81 K CB 0.271 32.842 32.500 0.117 0.000 0.849 81 K HN 2.553 nan 8.250 nan 0.000 0.479 82 G N -1.558 106.671 108.800 -0.951 0.000 3.958 82 G HA2 0.497 4.457 3.960 -0.000 0.000 0.127 82 G HA3 0.497 4.457 3.960 -0.000 0.000 0.127 82 G C 0.857 175.483 174.900 -0.457 0.000 1.260 82 G CA 0.755 45.241 45.100 -1.023 0.000 1.105 82 G HN 1.743 nan 8.290 nan 0.000 0.431 83 L N -0.576 120.366 121.223 -0.469 0.000 1.641 83 L HA 0.133 4.473 4.340 -0.000 0.000 0.351 83 L C -1.545 175.338 176.870 0.022 0.000 1.082 83 L CA 1.494 56.258 54.840 -0.126 0.000 1.226 83 L CB -2.482 39.526 42.059 -0.086 0.000 0.561 83 L HN 0.685 nan 8.230 nan 0.000 0.249 84 P HA 0.844 nan 4.420 nan 0.000 0.341 84 P C -0.682 176.631 177.300 0.022 0.000 1.349 84 P CA 0.373 63.427 63.100 -0.076 0.000 0.830 84 P CB 0.368 31.842 31.700 -0.375 0.000 1.986 85 F N -1.553 118.226 119.950 -0.284 0.000 3.102 85 F HA 0.464 4.991 4.527 -0.000 0.000 0.359 85 F C -0.769 174.873 175.800 -0.264 0.000 1.243 85 F CA -0.170 57.694 58.000 -0.227 0.000 1.215 85 F CB 0.268 39.138 39.000 -0.218 0.000 1.549 85 F HN 0.547 nan 8.300 nan 0.000 0.657 86 A N 3.620 126.018 122.820 -0.705 0.000 2.822 86 A HA 0.184 4.504 4.320 -0.000 0.000 0.287 86 A C 1.853 179.219 177.584 -0.363 0.000 1.479 86 A CA 1.525 53.208 52.037 -0.591 0.000 0.779 86 A CB -2.143 16.384 19.000 -0.789 0.000 1.022 86 A HN 2.813 nan 8.150 nan 0.000 0.532 87 G N -2.183 106.381 108.800 -0.393 0.000 2.168 87 G HA2 -0.268 3.692 3.960 -0.000 0.000 0.263 87 G HA3 -0.268 3.692 3.960 -0.000 0.000 0.263 87 G C 0.138 174.751 174.900 -0.478 0.000 0.977 87 G CA 0.516 45.378 45.100 -0.396 0.000 0.659 87 G HN 1.546 nan 8.290 nan 0.000 0.533 88 I N 0.804 121.102 120.570 -0.452 0.000 2.281 88 I HA 0.372 4.542 4.170 -0.000 0.000 0.293 88 I C 1.089 177.014 176.117 -0.320 0.000 1.085 88 I CA -0.589 60.566 61.300 -0.242 0.000 1.257 88 I CB 0.333 38.281 38.000 -0.088 0.000 1.430 88 I HN -0.003 nan 8.210 nan 0.000 0.489 89 F N 2.075 122.034 119.950 0.015 0.000 2.437 89 F HA -0.080 4.447 4.527 0.000 0.000 0.288 89 F C 2.678 178.480 175.800 0.004 0.000 1.085 89 F CA 0.714 58.720 58.000 0.011 0.000 1.430 89 F CB -0.499 38.506 39.000 0.008 0.000 1.120 89 F HN 0.477 nan 8.300 nan 0.000 0.556 90 T N -1.792 112.866 114.554 0.173 0.000 2.685 90 T HA -0.242 4.108 4.350 -0.000 0.000 0.268 90 T C 0.973 175.706 174.700 0.055 0.000 1.034 90 T CA 1.232 63.387 62.100 0.092 0.000 1.149 90 T CB -0.287 68.616 68.868 0.058 0.000 0.860 90 T HN 0.118 nan 8.240 nan 0.000 0.449 91 Q N 1.743 121.564 119.800 0.035 0.000 2.907 91 Q HA 0.478 4.817 4.340 -0.000 0.000 0.262 91 Q C 0.218 176.214 176.000 -0.008 0.000 0.997 91 Q CA -0.296 55.514 55.803 0.011 0.000 0.797 91 Q CB 1.195 29.936 28.738 0.004 0.000 1.228 91 Q HN 0.584 nan 8.270 nan 0.000 0.466 92 G N 0.844 109.640 108.800 -0.007 0.000 2.636 92 G HA2 0.319 4.279 3.960 -0.000 0.000 0.246 92 G HA3 0.319 4.279 3.960 -0.000 0.000 0.246 92 G C 0.155 175.015 174.900 -0.067 0.000 1.216 92 G CA -0.573 44.506 45.100 -0.036 0.000 0.854 92 G HN 0.481 nan 8.290 nan 0.000 0.572 93 L N 0.938 122.109 121.223 -0.086 0.000 2.477 93 L HA 0.073 4.413 4.340 -0.000 0.000 0.272 93 L C 0.049 176.806 176.870 -0.189 0.000 1.157 93 L CA -0.333 54.455 54.840 -0.086 0.000 0.889 93 L CB 0.504 42.559 42.059 -0.007 0.000 1.158 93 L HN 0.417 nan 8.230 nan 0.000 0.473 94 D N 3.014 123.367 120.400 -0.077 0.000 2.347 94 D HA 0.126 4.765 4.640 -0.000 0.000 0.235 94 D C 0.680 177.037 176.300 0.096 0.000 1.149 94 D CA -0.331 53.628 54.000 -0.067 0.000 0.850 94 D CB 0.733 41.526 40.800 -0.012 0.000 1.061 94 D HN 0.194 nan 8.370 nan 0.000 0.487 95 F N 2.089 122.058 119.950 0.032 0.000 2.451 95 F HA 0.108 4.635 4.527 -0.000 0.000 0.299 95 F C 2.492 178.310 175.800 0.030 0.000 1.101 95 F CA 0.591 58.609 58.000 0.030 0.000 1.436 95 F CB -0.901 38.134 39.000 0.058 0.000 1.074 95 F HN 0.540 nan 8.300 nan 0.000 0.553 96 G N -0.157 108.764 108.800 0.201 0.000 2.559 96 G HA2 -0.120 3.839 3.960 -0.000 0.000 0.216 96 G HA3 -0.120 3.839 3.960 -0.000 0.000 0.216 96 G C 1.571 176.523 174.900 0.087 0.000 1.126 96 G CA 0.264 45.439 45.100 0.125 0.000 0.778 96 G HN 0.375 nan 8.290 nan 0.000 0.543 97 L N 0.592 121.868 121.223 0.088 0.000 2.567 97 L HA 0.190 4.530 4.340 -0.000 0.000 0.225 97 L C 0.389 177.283 176.870 0.040 0.000 1.119 97 L CA -0.170 54.703 54.840 0.054 0.000 0.871 97 L CB 0.094 42.181 42.059 0.048 0.000 1.036 97 L HN 0.099 nan 8.230 nan 0.000 0.459 98 V N -3.568 116.375 119.914 0.048 0.000 2.459 98 V HA 0.383 4.502 4.120 -0.000 0.000 0.295 98 V C -0.420 175.682 176.094 0.013 0.000 1.029 98 V CA -1.105 61.204 62.300 0.014 0.000 0.874 98 V CB 1.918 33.735 31.823 -0.011 0.000 0.985 98 V HN -0.070 nan 8.190 nan 0.000 0.438 99 D N 3.025 123.427 120.400 0.004 0.000 2.389 99 D HA 0.408 5.048 4.640 -0.000 0.000 0.263 99 D C -0.061 176.250 176.300 0.018 0.000 1.255 99 D CA 1.135 55.142 54.000 0.013 0.000 0.914 99 D CB 0.392 41.199 40.800 0.011 0.000 1.116 99 D HN 1.067 nan 8.370 nan 0.000 0.502 100 T N 1.465 116.032 114.554 0.023 0.000 3.047 100 T HA 0.525 4.875 4.350 -0.000 0.000 0.340 100 T C 0.636 175.343 174.700 0.012 0.000 1.421 100 T CA -0.089 62.029 62.100 0.030 0.000 1.090 100 T CB 0.967 69.839 68.868 0.006 0.000 1.292 100 T HN 0.250 nan 8.240 nan 0.000 0.480 101 R N 1.781 122.273 120.500 -0.013 0.000 2.276 101 R HA 0.170 4.510 4.340 -0.000 0.000 0.203 101 R C 0.780 176.871 176.300 -0.347 0.000 1.017 101 R CA 1.244 57.236 56.100 -0.180 0.000 1.010 101 R CB -0.661 29.489 30.300 -0.251 0.000 0.900 101 R HN 0.821 nan 8.270 nan 0.000 0.469 102 H N 0.276 119.371 119.070 0.041 0.000 2.541 102 H HA 0.236 4.792 4.556 -0.000 0.000 0.246 102 H C -2.567 172.669 175.328 -0.153 0.000 1.341 102 H CA -2.195 53.862 56.048 0.015 0.000 1.469 102 H CB 1.921 31.529 29.762 -0.257 0.000 1.472 102 H HN 0.167 nan 8.280 nan 0.000 0.503 103 P HA 0.113 nan 4.420 nan 0.000 0.212 103 P C -0.980 176.572 177.300 0.421 0.000 1.816 103 P CA 0.023 63.248 63.100 0.209 0.000 0.944 103 P CB -0.647 31.201 31.700 0.247 0.000 1.896 104 Y N -3.131 117.243 120.300 0.124 0.000 2.713 104 Y HA 0.697 5.247 4.550 -0.000 0.000 0.335 104 Y C -0.710 175.261 175.900 0.117 0.000 1.222 104 Y CA -1.407 56.851 58.100 0.263 0.000 1.061 104 Y CB 0.478 39.065 38.460 0.213 0.000 1.314 104 Y HN -0.091 nan 8.280 nan 0.000 0.453 105 T N -0.880 113.900 114.554 0.377 0.000 2.823 105 T HA 0.660 5.010 4.350 -0.000 0.000 0.279 105 T C 0.073 174.912 174.700 0.232 0.000 0.998 105 T CA -0.325 61.891 62.100 0.193 0.000 0.994 105 T CB 1.282 70.333 68.868 0.304 0.000 0.960 105 T HN 1.344 nan 8.240 nan 0.000 0.448 106 G N 3.486 112.351 108.800 0.110 0.000 2.444 106 G HA2 0.435 4.395 3.960 -0.000 0.000 0.303 106 G HA3 0.435 4.395 3.960 -0.000 0.000 0.303 106 G C 0.291 175.246 174.900 0.091 0.000 1.032 106 G CA -0.777 44.410 45.100 0.145 0.000 1.137 106 G HN 0.886 nan 8.290 nan 0.000 0.430 107 L N 3.380 124.670 121.223 0.112 0.000 2.388 107 L HA 0.091 4.431 4.340 -0.000 0.000 0.252 107 L C -0.226 176.687 176.870 0.072 0.000 1.357 107 L CA -0.165 54.721 54.840 0.078 0.000 1.214 107 L CB -0.260 41.852 42.059 0.088 0.000 1.392 107 L HN 0.150 nan 8.230 nan 0.000 0.432 108 V N 2.538 122.494 119.914 0.069 0.000 2.350 108 V HA 0.302 4.422 4.120 -0.000 0.000 0.285 108 V C -2.049 174.068 176.094 0.038 0.000 1.014 108 V CA -2.046 60.301 62.300 0.078 0.000 0.831 108 V CB 1.281 33.209 31.823 0.174 0.000 1.000 108 V HN 0.369 nan 8.190 nan 0.000 0.433 109 P HA -0.002 nan 4.420 nan 0.000 0.264 109 P C 0.806 178.089 177.300 -0.027 0.000 1.183 109 P CA 0.352 63.438 63.100 -0.023 0.000 0.763 109 P CB 0.641 32.322 31.700 -0.030 0.000 0.807 110 Q N 2.771 122.539 119.800 -0.053 0.000 2.135 110 Q HA -0.223 4.117 4.340 -0.000 0.000 0.204 110 Q C 1.743 177.719 176.000 -0.040 0.000 0.981 110 Q CA 2.354 58.130 55.803 -0.044 0.000 0.856 110 Q CB -0.237 28.452 28.738 -0.081 0.000 0.902 110 Q HN 0.593 nan 8.270 nan 0.000 0.425 111 S N 0.312 115.976 115.700 -0.061 0.000 2.359 111 S HA -0.245 4.225 4.470 -0.000 0.000 0.224 111 S C 1.931 176.510 174.600 -0.035 0.000 1.035 111 S CA 1.246 59.420 58.200 -0.043 0.000 1.018 111 S CB -0.588 62.585 63.200 -0.044 0.000 0.876 111 S HN 0.395 nan 8.310 nan 0.000 0.448 112 R N 1.160 121.634 120.500 -0.043 0.000 2.096 112 R HA -0.085 4.255 4.340 -0.000 0.000 0.235 112 R C 2.163 178.407 176.300 -0.094 0.000 1.127 112 R CA 1.778 57.838 56.100 -0.067 0.000 0.968 112 R CB -0.906 29.354 30.300 -0.068 0.000 0.861 112 R HN 0.541 nan 8.270 nan 0.000 0.440 113 T N 0.817 115.349 114.554 -0.037 0.000 2.674 113 T HA -0.127 4.223 4.350 -0.000 0.000 0.265 113 T C 1.497 176.212 174.700 0.025 0.000 1.039 113 T CA 1.568 63.686 62.100 0.030 0.000 1.150 113 T CB -0.157 68.794 68.868 0.140 0.000 0.864 113 T HN 0.430 nan 8.240 nan 0.000 0.427 114 E N 1.136 121.347 120.200 0.019 0.000 2.085 114 E HA -0.127 4.222 4.350 -0.000 0.000 0.194 114 E C 2.587 179.192 176.600 0.008 0.000 0.994 114 E CA 0.992 57.406 56.400 0.024 0.000 0.801 114 E CB -0.290 29.418 29.700 0.014 0.000 0.743 114 E HN 0.477 nan 8.360 nan 0.000 0.453 115 A N 1.449 124.256 122.820 -0.021 0.000 1.873 115 A HA -0.226 4.094 4.320 -0.000 0.000 0.218 115 A C 2.226 179.785 177.584 -0.041 0.000 1.193 115 A CA 1.434 53.452 52.037 -0.032 0.000 0.629 115 A CB -0.803 18.167 19.000 -0.051 0.000 0.826 115 A HN 0.143 nan 8.150 nan 0.000 0.447 116 L N -0.861 120.300 121.223 -0.103 0.000 1.994 116 L HA -0.173 4.167 4.340 -0.000 0.000 0.208 116 L C 2.639 179.525 176.870 0.026 0.000 1.071 116 L CA 1.226 55.989 54.840 -0.128 0.000 0.745 116 L CB -0.748 41.039 42.059 -0.453 0.000 0.892 116 L HN 0.364 nan 8.230 nan 0.000 0.431 117 L N -0.161 121.109 121.223 0.077 0.000 2.079 117 L HA -0.211 4.129 4.340 -0.000 0.000 0.210 117 L C 2.907 179.856 176.870 0.132 0.000 1.081 117 L CA 1.139 56.063 54.840 0.141 0.000 0.752 117 L CB -0.761 41.380 42.059 0.136 0.000 0.896 117 L HN 0.274 nan 8.230 nan 0.000 0.433 118 A N -0.041 122.828 122.820 0.081 0.000 1.855 118 A HA -0.248 4.072 4.320 -0.000 0.000 0.215 118 A C 2.174 179.799 177.584 0.067 0.000 1.191 118 A CA 1.774 53.850 52.037 0.065 0.000 0.613 118 A CB -0.505 18.518 19.000 0.039 0.000 0.829 118 A HN 0.333 nan 8.150 nan 0.000 0.442 119 E N -0.654 119.581 120.200 0.058 0.000 2.130 119 E HA -0.258 4.092 4.350 -0.000 0.000 0.196 119 E C 1.754 178.398 176.600 0.074 0.000 0.998 119 E CA 1.902 58.332 56.400 0.049 0.000 0.806 119 E CB -0.406 29.313 29.700 0.033 0.000 0.738 119 E HN 0.823 nan 8.360 nan 0.000 0.459 120 H N -1.003 118.087 119.070 0.032 0.000 2.357 120 H HA 0.077 4.633 4.556 -0.000 0.000 0.301 120 H C 1.716 177.070 175.328 0.043 0.000 1.082 120 H CA 1.838 57.914 56.048 0.047 0.000 1.342 120 H CB -0.135 29.672 29.762 0.075 0.000 1.389 120 H HN 0.204 nan 8.280 nan 0.000 0.511 121 A N 1.237 124.122 122.820 0.108 0.000 1.929 121 A HA -0.099 4.221 4.320 -0.000 0.000 0.216 121 A C 2.408 179.987 177.584 -0.009 0.000 1.176 121 A CA 1.163 53.231 52.037 0.051 0.000 0.628 121 A CB -0.620 18.435 19.000 0.091 0.000 0.816 121 A HN 0.518 nan 8.150 nan 0.000 0.444 122 R N 0.415 120.914 120.500 -0.001 0.000 2.094 122 R HA -0.210 4.129 4.340 -0.000 0.000 0.239 122 R C 1.646 177.924 176.300 -0.037 0.000 1.137 122 R CA 2.169 58.262 56.100 -0.012 0.000 0.943 122 R CB -0.478 29.822 30.300 -0.001 0.000 0.850 122 R HN 0.600 nan 8.270 nan 0.000 0.433 123 E N -0.216 119.945 120.200 -0.064 0.000 2.268 123 E HA -0.079 4.271 4.350 -0.000 0.000 0.195 123 E C 1.671 178.205 176.600 -0.109 0.000 0.995 123 E CA 0.843 57.194 56.400 -0.082 0.000 0.836 123 E CB 0.059 29.704 29.700 -0.092 0.000 0.763 123 E HN 0.540 nan 8.360 nan 0.000 0.491 124 A N 0.416 123.148 122.820 -0.146 0.000 2.169 124 A HA 0.250 4.570 4.320 -0.000 0.000 0.212 124 A C 1.476 179.032 177.584 -0.047 0.000 1.153 124 A CA 0.762 52.725 52.037 -0.123 0.000 0.756 124 A CB -0.063 18.847 19.000 -0.149 0.000 0.813 124 A HN 0.267 nan 8.150 nan 0.000 0.471 125 G N -1.747 107.032 108.800 -0.035 0.000 2.526 125 G HA2 0.333 4.293 3.960 -0.000 0.000 0.225 125 G HA3 0.333 4.293 3.960 -0.000 0.000 0.225 125 G C -0.139 174.757 174.900 -0.007 0.000 1.120 125 G CA 0.016 45.106 45.100 -0.016 0.000 0.904 125 G HN 1.612 nan 8.290 nan 0.000 0.498 126 A N 0.165 122.982 122.820 -0.006 0.000 2.353 126 A HA 0.766 5.086 4.320 -0.000 0.000 0.299 126 A C 0.089 177.670 177.584 -0.006 0.000 1.089 126 A CA -0.418 51.619 52.037 0.000 0.000 0.736 126 A CB 1.167 20.175 19.000 0.013 0.000 1.195 126 A HN 0.426 nan 8.150 nan 0.000 0.447 127 E N 1.527 121.718 120.200 -0.015 0.000 2.376 127 E HA 0.221 4.571 4.350 -0.000 0.000 0.266 127 E C -0.722 175.861 176.600 -0.030 0.000 1.009 127 E CA 0.087 56.472 56.400 -0.026 0.000 0.902 127 E CB 0.282 29.957 29.700 -0.040 0.000 0.972 127 E HN 0.541 nan 8.360 nan 0.000 0.439 128 I N 2.555 123.108 120.570 -0.028 0.000 2.859 128 I HA 0.295 4.465 4.170 -0.000 0.000 0.296 128 I C -2.496 173.596 176.117 -0.042 0.000 1.300 128 I CA -2.405 58.880 61.300 -0.026 0.000 1.020 128 I CB 0.612 38.612 38.000 0.001 0.000 1.823 128 I HN 0.117 nan 8.210 nan 0.000 0.599 129 P HA 0.146 nan 4.420 nan 0.000 0.264 129 P C 0.010 177.276 177.300 -0.057 0.000 1.229 129 P CA -0.056 62.924 63.100 -0.200 0.000 0.780 129 P CB 0.414 31.700 31.700 -0.692 0.000 0.808 130 R N 2.848 123.407 120.500 0.098 0.000 2.204 130 R HA 0.559 4.899 4.340 -0.000 0.000 0.341 130 R C 0.879 177.319 176.300 0.234 0.000 1.035 130 R CA 0.123 56.305 56.100 0.138 0.000 0.887 130 R CB -0.563 29.785 30.300 0.080 0.000 1.114 130 R HN 0.865 nan 8.270 nan 0.000 0.473 131 G N 3.291 112.263 108.800 0.287 0.000 2.244 131 G HA2 -0.087 3.873 3.960 -0.000 0.000 0.163 131 G HA3 -0.087 3.873 3.960 -0.000 0.000 0.163 131 G C -0.507 174.407 174.900 0.023 0.000 1.064 131 G CA -0.472 44.711 45.100 0.140 0.000 0.757 131 G HN 0.730 nan 8.290 nan 0.000 0.484 132 H N 0.169 119.239 119.070 0.000 0.000 2.761 132 H HA 0.561 5.117 4.556 -0.000 0.000 0.263 132 H C 0.415 175.724 175.328 -0.031 0.000 1.292 132 H CA 0.083 56.117 56.048 -0.023 0.000 1.540 132 H CB 0.912 30.684 29.762 0.017 0.000 1.569 132 H HN 0.628 nan 8.280 nan 0.000 0.510 133 E N 2.000 122.217 120.200 0.027 0.000 2.404 133 E HA 0.321 4.671 4.350 -0.000 0.000 0.261 133 E C -0.113 176.482 176.600 -0.007 0.000 1.074 133 E CA -0.428 55.976 56.400 0.007 0.000 0.917 133 E CB 1.195 30.885 29.700 -0.017 0.000 0.965 133 E HN 0.276 nan 8.360 nan 0.000 0.433 134 V N 3.158 123.070 119.914 -0.005 0.000 2.350 134 V HA 0.206 4.326 4.120 -0.000 0.000 0.276 134 V C 1.167 177.248 176.094 -0.022 0.000 1.028 134 V CA 0.044 62.338 62.300 -0.011 0.000 0.860 134 V CB 1.002 32.826 31.823 0.001 0.000 0.990 134 V HN 0.982 nan 8.190 nan 0.000 0.453 135 T N 3.904 118.440 114.554 -0.031 0.000 2.809 135 T HA 0.152 4.502 4.350 -0.000 0.000 0.260 135 T C 0.899 175.585 174.700 -0.023 0.000 1.039 135 T CA 1.697 63.779 62.100 -0.031 0.000 1.141 135 T CB -0.021 68.824 68.868 -0.038 0.000 0.869 135 T HN 0.855 nan 8.240 nan 0.000 0.437 136 R N -0.877 119.612 120.500 -0.018 0.000 2.762 136 R HA 0.827 5.167 4.340 -0.000 0.000 0.271 136 R C -1.855 174.439 176.300 -0.010 0.000 1.038 136 R CA -0.718 55.373 56.100 -0.015 0.000 0.906 136 R CB 0.380 30.672 30.300 -0.014 0.000 1.259 136 R HN 0.101 nan 8.270 nan 0.000 0.457 137 L N -1.501 119.715 121.223 -0.011 0.000 2.192 137 L HA 1.052 5.392 4.340 -0.000 0.000 0.250 137 L C 0.122 176.986 176.870 -0.010 0.000 1.114 137 L CA 0.152 54.986 54.840 -0.009 0.000 1.065 137 L CB 1.952 44.003 42.059 -0.013 0.000 1.609 137 L HN 1.610 nan 8.230 nan 0.000 0.495 138 R N 0.943 121.435 120.500 -0.014 0.000 5.532 138 R HA 0.408 4.748 4.340 -0.000 0.000 0.254 138 R C -1.578 174.707 176.300 -0.024 0.000 0.953 138 R CA -0.546 55.544 56.100 -0.017 0.000 1.518 138 R CB -0.491 29.801 30.300 -0.013 0.000 1.203 138 R HN 0.579 nan 8.270 nan 0.000 0.691 139 Q N 1.493 121.276 119.800 -0.028 0.000 2.341 139 Q HA 0.568 4.908 4.340 -0.000 0.000 0.268 139 Q C 0.041 176.015 176.000 -0.043 0.000 1.013 139 Q CA 0.483 56.262 55.803 -0.040 0.000 0.798 139 Q CB 1.367 30.084 28.738 -0.036 0.000 1.253 139 Q HN 0.978 nan 8.270 nan 0.000 0.457 140 D N 1.526 121.893 120.400 -0.055 0.000 2.430 140 D HA 0.526 5.166 4.640 -0.000 0.000 0.285 140 D C 0.656 176.919 176.300 -0.062 0.000 1.210 140 D CA 0.326 54.295 54.000 -0.052 0.000 1.080 140 D CB 0.301 41.070 40.800 -0.052 0.000 1.134 140 D HN 0.641 nan 8.370 nan 0.000 0.562 141 A N -2.567 120.219 122.820 -0.058 0.000 2.169 141 A HA 0.495 4.815 4.320 -0.000 0.000 0.210 141 A C 1.890 179.427 177.584 -0.078 0.000 1.168 141 A CA 1.787 53.789 52.037 -0.058 0.000 0.813 141 A CB -0.085 18.891 19.000 -0.041 0.000 0.861 141 A HN 0.851 nan 8.150 nan 0.000 0.481 142 E N -1.114 119.033 120.200 -0.088 0.000 2.414 142 E HA 0.692 5.041 4.350 -0.000 0.000 0.208 142 E C 0.603 177.112 176.600 -0.153 0.000 0.820 142 E CA 0.932 57.269 56.400 -0.105 0.000 1.143 142 E CB 0.065 29.724 29.700 -0.069 0.000 1.150 142 E HN 1.227 nan 8.360 nan 0.000 0.540 143 A N -0.921 121.817 122.820 -0.136 0.000 2.567 143 A HA 0.778 5.098 4.320 -0.000 0.000 0.289 143 A C -1.269 176.242 177.584 -0.122 0.000 1.177 143 A CA -0.126 51.821 52.037 -0.151 0.000 0.694 143 A CB 1.562 20.501 19.000 -0.102 0.000 1.292 143 A HN 0.564 nan 8.150 nan 0.000 0.425 144 V N -0.246 119.604 119.914 -0.107 0.000 2.735 144 V HA 0.810 4.930 4.120 -0.000 0.000 0.310 144 V C 0.092 176.163 176.094 -0.038 0.000 1.061 144 V CA 0.035 62.293 62.300 -0.070 0.000 0.913 144 V CB 1.344 33.126 31.823 -0.068 0.000 1.005 144 V HN 1.366 nan 8.190 nan 0.000 0.428 145 E N 2.053 122.239 120.200 -0.023 0.000 2.176 145 E HA 0.720 5.070 4.350 -0.000 0.000 0.267 145 E C -0.785 175.819 176.600 0.007 0.000 0.893 145 E CA -0.584 55.813 56.400 -0.003 0.000 0.761 145 E CB 1.936 31.635 29.700 -0.001 0.000 1.133 145 E HN 1.278 nan 8.360 nan 0.000 0.409 146 V N -0.435 119.494 119.914 0.024 0.000 2.495 146 V HA 0.794 4.914 4.120 -0.000 0.000 0.298 146 V C 0.221 176.343 176.094 0.046 0.000 1.031 146 V CA -0.801 61.516 62.300 0.028 0.000 0.871 146 V CB 1.264 33.105 31.823 0.031 0.000 0.988 146 V HN 0.608 nan 8.190 nan 0.000 0.432 147 T N 4.820 119.388 114.554 0.023 0.000 2.794 147 T HA 0.560 4.910 4.350 -0.000 0.000 0.296 147 T C 0.073 174.762 174.700 -0.018 0.000 0.949 147 T CA -0.098 62.009 62.100 0.012 0.000 1.101 147 T CB 1.050 69.914 68.868 -0.006 0.000 0.905 147 T HN 0.701 nan 8.240 nan 0.000 0.516 148 V N 1.700 121.573 119.914 -0.069 0.000 2.919 148 V HA 0.832 4.952 4.120 -0.000 0.000 0.316 148 V C 0.053 175.955 176.094 -0.319 0.000 1.077 148 V CA -1.282 60.915 62.300 -0.173 0.000 0.977 148 V CB 1.898 33.610 31.823 -0.186 0.000 1.039 148 V HN 0.969 nan 8.190 nan 0.000 0.441 149 A N 1.846 124.510 122.820 -0.259 0.000 2.664 149 A HA 0.778 5.098 4.320 -0.000 0.000 0.338 149 A C 0.241 177.643 177.584 -0.302 0.000 1.280 149 A CA -0.029 51.854 52.037 -0.256 0.000 0.809 149 A CB 0.228 19.140 19.000 -0.147 0.000 1.114 149 A HN 1.092 nan 8.150 nan 0.000 0.479 150 G N 1.429 109.973 108.800 -0.427 0.000 2.502 150 G HA2 0.534 4.494 3.960 -0.000 0.000 0.305 150 G HA3 0.534 4.494 3.960 -0.000 0.000 0.305 150 G C -1.527 173.196 174.900 -0.294 0.000 1.190 150 G CA -1.537 43.279 45.100 -0.472 0.000 0.933 150 G HN 0.298 nan 8.290 nan 0.000 0.503 151 P HA -0.067 nan 4.420 nan 0.000 0.216 151 P C 1.988 179.243 177.300 -0.074 0.000 1.150 151 P CA 1.291 64.304 63.100 -0.146 0.000 0.837 151 P CB 0.230 31.859 31.700 -0.118 0.000 0.786 152 S N -1.408 114.271 115.700 -0.035 0.000 2.474 152 S HA 0.268 4.737 4.470 -0.000 0.000 0.235 152 S C 1.168 175.772 174.600 0.007 0.000 0.997 152 S CA 0.920 59.130 58.200 0.016 0.000 0.949 152 S CB -0.657 62.589 63.200 0.078 0.000 0.766 152 S HN 0.468 nan 8.310 nan 0.000 0.517 153 G N 1.000 109.777 108.800 -0.039 0.000 2.355 153 G HA2 0.131 4.091 3.960 -0.000 0.000 0.619 153 G HA3 0.131 4.091 3.960 -0.000 0.000 0.619 153 G C -3.457 171.370 174.900 -0.121 0.000 1.337 153 G CA -1.350 43.716 45.100 -0.056 0.000 0.993 153 G HN 0.012 nan 8.290 nan 0.000 0.599 154 P HA 0.508 nan 4.420 nan 0.000 0.271 154 P C -0.758 176.479 177.300 -0.106 0.000 1.238 154 P CA 0.433 63.419 63.100 -0.189 0.000 0.794 154 P CB 0.060 31.709 31.700 -0.084 0.000 0.959 155 Y N -4.086 116.225 120.300 0.019 0.000 2.527 155 Y HA 0.481 5.031 4.550 -0.000 0.000 0.328 155 Y C -3.279 172.632 175.900 0.018 0.000 1.216 155 Y CA -2.666 55.446 58.100 0.019 0.000 1.152 155 Y CB 0.068 38.545 38.460 0.028 0.000 1.342 155 Y HN 0.167 nan 8.280 nan 0.000 0.465 156 P HA 0.610 nan 4.420 nan 0.000 0.276 156 P C -0.870 176.540 177.300 0.183 0.000 1.252 156 P CA -0.262 62.941 63.100 0.173 0.000 0.802 156 P CB 1.316 33.068 31.700 0.087 0.000 1.035 157 V N -1.482 118.501 119.914 0.115 0.000 2.752 157 V HA 0.730 4.850 4.120 -0.000 0.000 0.302 157 V C -0.124 175.987 176.094 0.028 0.000 1.133 157 V CA -1.063 61.276 62.300 0.065 0.000 0.919 157 V CB 1.541 33.423 31.823 0.097 0.000 1.026 157 V HN 0.553 nan 8.190 nan 0.000 0.429 158 R N 2.907 123.408 120.500 0.003 0.000 2.474 158 R HA 1.056 5.396 4.340 -0.000 0.000 0.295 158 R C -0.046 176.244 176.300 -0.017 0.000 0.980 158 R CA -0.118 55.975 56.100 -0.011 0.000 0.934 158 R CB 1.521 31.810 30.300 -0.018 0.000 1.101 158 R HN 2.843 nan 8.270 nan 0.000 0.469 159 A N 0.858 123.662 122.820 -0.027 0.000 2.605 159 A HA 0.540 4.859 4.320 -0.000 0.000 0.294 159 A C 0.638 178.183 177.584 -0.064 0.000 1.062 159 A CA -0.533 51.488 52.037 -0.025 0.000 0.682 159 A CB 1.282 20.281 19.000 -0.001 0.000 1.278 159 A HN 0.801 nan 8.150 nan 0.000 0.410 160 R N -0.700 119.760 120.500 -0.065 0.000 2.096 160 R HA -0.012 4.328 4.340 -0.000 0.000 0.235 160 R C -0.618 175.427 176.300 -0.426 0.000 1.127 160 R CA 1.670 57.651 56.100 -0.198 0.000 0.968 160 R CB -0.093 30.154 30.300 -0.087 0.000 0.861 160 R HN 0.690 nan 8.270 nan 0.000 0.440 161 Y N -2.022 118.255 120.300 -0.040 0.000 2.524 161 Y HA 0.493 5.043 4.550 -0.000 0.000 0.347 161 Y C 0.089 175.966 175.900 -0.039 0.000 1.005 161 Y CA -0.963 57.110 58.100 -0.045 0.000 1.025 161 Y CB 2.367 40.789 38.460 -0.063 0.000 1.275 161 Y HN -0.065 nan 8.280 nan 0.000 0.460 162 G N 1.360 110.232 108.800 0.120 0.000 2.626 162 G HA2 0.583 4.543 3.960 -0.000 0.000 0.304 162 G HA3 0.583 4.543 3.960 -0.000 0.000 0.304 162 G C -1.894 173.033 174.900 0.046 0.000 1.385 162 G CA -0.656 44.478 45.100 0.057 0.000 0.957 162 G HN 0.420 nan 8.290 nan 0.000 0.504 163 V N 1.526 121.452 119.914 0.020 0.000 2.459 163 V HA 0.711 4.830 4.120 -0.000 0.000 0.295 163 V C 0.842 176.931 176.094 -0.008 0.000 1.029 163 V CA -0.663 61.635 62.300 -0.003 0.000 0.874 163 V CB 1.819 33.621 31.823 -0.034 0.000 0.985 163 V HN 0.879 nan 8.190 nan 0.000 0.438 164 G N 2.196 110.987 108.800 -0.016 0.000 2.391 164 G HA2 0.366 4.325 3.960 -0.000 0.000 0.305 164 G HA3 0.366 4.325 3.960 -0.000 0.000 0.305 164 G C 0.068 174.947 174.900 -0.034 0.000 1.072 164 G CA -0.118 44.964 45.100 -0.031 0.000 1.016 164 G HN 0.847 nan 8.290 nan 0.000 0.418 165 C N 3.445 122.731 119.300 -0.023 0.000 2.660 165 C HA 0.259 4.719 4.460 -0.000 0.000 0.265 165 C C 0.657 175.635 174.990 -0.019 0.000 1.573 165 C CA -1.129 57.879 59.018 -0.017 0.000 1.751 165 C CB -1.489 26.253 27.740 0.003 0.000 3.033 165 C HN 0.851 nan 8.230 nan 0.000 0.511 166 D N 0.899 121.279 120.400 -0.033 0.000 2.399 166 D HA 0.424 5.064 4.640 -0.000 0.000 0.288 166 D C 1.168 177.447 176.300 -0.036 0.000 1.197 166 D CA -0.073 53.911 54.000 -0.028 0.000 1.081 166 D CB -0.363 40.419 40.800 -0.030 0.000 1.139 166 D HN 0.204 nan 8.370 nan 0.000 0.554 167 G N -1.930 106.852 108.800 -0.031 0.000 2.485 167 G HA2 0.372 4.332 3.960 -0.000 0.000 0.260 167 G HA3 0.372 4.332 3.960 -0.000 0.000 0.260 167 G C 0.911 175.786 174.900 -0.043 0.000 1.459 167 G CA -0.167 44.917 45.100 -0.027 0.000 1.060 167 G HN 0.511 nan 8.290 nan 0.000 0.546 168 G N -1.201 107.588 108.800 -0.019 0.000 2.551 168 G HA2 -0.017 3.943 3.960 -0.000 0.000 0.216 168 G HA3 -0.017 3.943 3.960 -0.000 0.000 0.216 168 G C 1.366 176.259 174.900 -0.012 0.000 1.137 168 G CA -0.146 44.956 45.100 0.002 0.000 0.798 168 G HN 0.451 nan 8.290 nan 0.000 0.536 169 R N 1.165 121.656 120.500 -0.015 0.000 2.788 169 R HA 0.217 4.557 4.340 -0.000 0.000 0.264 169 R C 0.709 176.966 176.300 -0.071 0.000 1.267 169 R CA -0.141 55.942 56.100 -0.029 0.000 1.213 169 R CB 0.133 30.433 30.300 0.001 0.000 1.256 169 R HN 0.186 nan 8.270 nan 0.000 0.556 170 S N 1.284 116.915 115.700 -0.114 0.000 2.885 170 S HA -0.103 4.367 4.470 -0.000 0.000 0.334 170 S C 1.695 176.225 174.600 -0.117 0.000 1.224 170 S CA 0.329 58.456 58.200 -0.122 0.000 1.080 170 S CB 0.518 63.616 63.200 -0.170 0.000 0.801 170 S HN 0.557 nan 8.310 nan 0.000 0.510 171 T N 3.131 117.639 114.554 -0.076 0.000 2.777 171 T HA -0.103 4.247 4.350 -0.000 0.000 0.266 171 T C 1.776 176.434 174.700 -0.071 0.000 1.040 171 T CA 1.414 63.476 62.100 -0.064 0.000 1.141 171 T CB -0.646 68.198 68.868 -0.041 0.000 0.868 171 T HN 0.484 nan 8.240 nan 0.000 0.444 172 V N 1.858 121.731 119.914 -0.069 0.000 2.469 172 V HA -0.179 3.941 4.120 -0.000 0.000 0.251 172 V C 2.919 178.962 176.094 -0.085 0.000 1.064 172 V CA 2.130 64.392 62.300 -0.063 0.000 1.066 172 V CB -0.945 30.846 31.823 -0.052 0.000 0.667 172 V HN 0.488 nan 8.190 nan 0.000 0.461 173 R N 0.266 120.684 120.500 -0.136 0.000 2.075 173 R HA -0.160 4.180 4.340 -0.000 0.000 0.232 173 R C 2.571 178.783 176.300 -0.147 0.000 1.126 173 R CA 1.617 57.607 56.100 -0.183 0.000 0.963 173 R CB -0.261 29.831 30.300 -0.347 0.000 0.858 173 R HN 0.526 nan 8.270 nan 0.000 0.435 174 R N 0.698 121.120 120.500 -0.130 0.000 2.070 174 R HA -0.104 4.236 4.340 -0.000 0.000 0.233 174 R C 1.993 178.260 176.300 -0.054 0.000 1.137 174 R CA 1.635 57.684 56.100 -0.084 0.000 0.945 174 R CB -0.422 29.837 30.300 -0.068 0.000 0.845 174 R HN 0.286 nan 8.270 nan 0.000 0.430 175 L N 0.255 121.448 121.223 -0.050 0.000 2.551 175 L HA 0.034 4.374 4.340 -0.000 0.000 0.228 175 L C 1.943 178.796 176.870 -0.029 0.000 1.153 175 L CA 0.721 55.541 54.840 -0.034 0.000 0.851 175 L CB -0.086 41.954 42.059 -0.031 0.000 0.959 175 L HN 0.356 nan 8.230 nan 0.000 0.451 176 A N -0.444 122.355 122.820 -0.034 0.000 2.431 176 A HA 0.576 4.896 4.320 -0.000 0.000 0.239 176 A C 1.105 178.677 177.584 -0.019 0.000 1.230 176 A CA 0.335 52.358 52.037 -0.024 0.000 0.928 176 A CB 0.197 19.184 19.000 -0.023 0.000 1.006 176 A HN 0.263 nan 8.150 nan 0.000 0.520 177 A N 0.458 123.263 122.820 -0.024 0.000 1.701 177 A HA -0.003 4.317 4.320 -0.000 0.000 0.223 177 A C -0.830 176.752 177.584 -0.003 0.000 1.303 177 A CA 1.003 53.032 52.037 -0.012 0.000 0.689 177 A CB -1.459 17.540 19.000 -0.002 0.000 1.177 177 A HN 0.361 nan 8.150 nan 0.000 0.227 178 D N 0.517 120.912 120.400 -0.008 0.000 2.936 178 D HA 0.626 5.265 4.640 -0.000 0.000 0.238 178 D C -0.136 176.216 176.300 0.086 0.000 1.248 178 D CA -0.256 53.761 54.000 0.029 0.000 0.903 178 D CB 1.368 42.175 40.800 0.012 0.000 1.544 178 D HN 0.647 nan 8.370 nan 0.000 0.543 179 R N 2.579 123.176 120.500 0.161 0.000 2.483 179 R HA 0.368 4.708 4.340 -0.000 0.000 0.303 179 R C -0.889 175.560 176.300 0.249 0.000 0.987 179 R CA -0.611 55.657 56.100 0.280 0.000 0.881 179 R CB 0.792 31.202 30.300 0.183 0.000 1.177 179 R HN 0.468 nan 8.270 nan 0.000 0.451 180 F N 3.937 123.933 119.950 0.077 0.000 2.986 180 F HA -0.171 4.356 4.527 -0.000 0.000 0.309 180 F C -2.304 173.533 175.800 0.063 0.000 0.884 180 F CA -0.205 57.836 58.000 0.069 0.000 1.263 180 F CB -0.825 38.197 39.000 0.037 0.000 1.315 180 F HN 0.559 nan 8.300 nan 0.000 0.595 181 P HA 0.438 nan 4.420 nan 0.000 0.215 181 P C 1.115 178.308 177.300 -0.180 0.000 1.173 181 P CA 1.566 64.634 63.100 -0.054 0.000 0.663 181 P CB -0.034 31.664 31.700 -0.003 0.000 0.720 182 G N -2.186 106.540 108.800 -0.122 0.000 2.631 182 G HA2 0.132 4.092 3.960 -0.000 0.000 0.504 182 G HA3 0.132 4.092 3.960 -0.000 0.000 0.504 182 G C -0.558 174.305 174.900 -0.062 0.000 1.306 182 G CA -0.299 44.724 45.100 -0.128 0.000 0.897 182 G HN 0.668 nan 8.290 nan 0.000 0.520 183 T N -1.470 113.060 114.554 -0.041 0.000 2.940 183 T HA 0.720 5.070 4.350 -0.000 0.000 0.288 183 T C -0.218 174.484 174.700 0.004 0.000 1.033 183 T CA -0.463 61.631 62.100 -0.010 0.000 1.033 183 T CB 2.185 71.054 68.868 0.001 0.000 1.079 183 T HN 0.770 nan 8.240 nan 0.000 0.496 184 E N 0.978 121.186 120.200 0.014 0.000 2.366 184 E HA 0.482 4.832 4.350 -0.000 0.000 0.266 184 E C 0.162 176.784 176.600 0.037 0.000 1.051 184 E CA -0.615 55.801 56.400 0.027 0.000 0.884 184 E CB 0.610 30.325 29.700 0.025 0.000 1.006 184 E HN 0.914 nan 8.360 nan 0.000 0.417 185 A N 1.531 124.383 122.820 0.052 0.000 2.425 185 A HA 0.328 4.648 4.320 -0.000 0.000 0.249 185 A C 0.773 178.390 177.584 0.056 0.000 1.084 185 A CA 0.101 52.180 52.037 0.070 0.000 0.781 185 A CB -0.010 19.047 19.000 0.095 0.000 1.019 185 A HN 0.702 nan 8.150 nan 0.000 0.490 186 T N -1.197 113.389 114.554 0.053 0.000 3.332 186 T HA 0.419 4.769 4.350 -0.000 0.000 0.304 186 T C -0.326 174.397 174.700 0.038 0.000 0.971 186 T CA -0.014 62.109 62.100 0.037 0.000 0.954 186 T CB -0.472 68.408 68.868 0.020 0.000 1.175 186 T HN 0.465 nan 8.240 nan 0.000 0.519 187 V N 1.391 121.346 119.914 0.069 0.000 2.525 187 V HA 0.845 4.965 4.120 -0.000 0.000 0.299 187 V C 0.109 176.303 176.094 0.167 0.000 1.034 187 V CA -0.952 61.397 62.300 0.081 0.000 0.863 187 V CB 1.488 33.315 31.823 0.007 0.000 0.999 187 V HN 0.697 nan 8.190 nan 0.000 0.423 188 R N 2.779 123.363 120.500 0.140 0.000 2.407 188 R HA 0.932 5.272 4.340 -0.000 0.000 0.303 188 R C -0.163 176.252 176.300 0.192 0.000 0.981 188 R CA -0.154 56.035 56.100 0.148 0.000 0.905 188 R CB 1.597 31.948 30.300 0.084 0.000 1.099 188 R HN 1.530 nan 8.270 nan 0.000 0.459 189 A N 2.789 125.736 122.820 0.213 0.000 2.457 189 A HA 0.630 4.950 4.320 -0.000 0.000 0.283 189 A C -0.770 176.904 177.584 0.149 0.000 1.166 189 A CA -0.503 51.673 52.037 0.232 0.000 0.740 189 A CB 0.653 19.869 19.000 0.361 0.000 1.181 189 A HN 0.666 nan 8.150 nan 0.000 0.446 190 L N 4.113 125.397 121.223 0.100 0.000 2.295 190 L HA 0.729 5.068 4.340 -0.000 0.000 0.285 190 L C 0.058 176.979 176.870 0.084 0.000 1.035 190 L CA -0.583 54.285 54.840 0.047 0.000 0.806 190 L CB 1.310 43.375 42.059 0.011 0.000 1.214 190 L HN 0.782 nan 8.230 nan 0.000 0.426 191 I N -0.273 120.357 120.570 0.100 0.000 2.934 191 I HA 1.049 5.219 4.170 -0.000 0.000 0.306 191 I C -0.420 175.703 176.117 0.011 0.000 1.110 191 I CA -0.561 60.819 61.300 0.134 0.000 1.019 191 I CB 2.668 40.862 38.000 0.323 0.000 1.227 191 I HN 0.609 nan 8.210 nan 0.000 0.434 192 G N 1.270 109.954 108.800 -0.194 0.000 2.433 192 G HA2 0.449 4.409 3.960 -0.000 0.000 0.306 192 G HA3 0.449 4.409 3.960 -0.000 0.000 0.306 192 G C -1.453 172.972 174.900 -0.791 0.000 1.627 192 G CA -0.170 44.538 45.100 -0.654 0.000 0.893 192 G HN 1.261 nan 8.290 nan 0.000 0.648 193 Y N -0.134 119.333 120.300 -1.389 0.000 2.359 193 Y HA 0.730 5.280 4.550 -0.000 0.000 0.334 193 Y C 0.481 176.147 175.900 -0.390 0.000 1.058 193 Y CA -0.428 57.272 58.100 -0.667 0.000 1.244 193 Y CB 1.588 39.809 38.460 -0.397 0.000 1.187 193 Y HN 2.002 nan 8.280 nan 0.000 0.510 194 V N 4.422 124.215 119.914 -0.201 0.000 2.663 194 V HA 0.409 4.529 4.120 -0.000 0.000 0.286 194 V C 0.617 176.672 176.094 -0.065 0.000 1.085 194 V CA 0.054 62.279 62.300 -0.126 0.000 0.916 194 V CB 0.933 32.679 31.823 -0.128 0.000 1.039 194 V HN 1.559 nan 8.190 nan 0.000 0.453 195 T N 2.260 116.792 114.554 -0.037 0.000 2.504 195 T HA -0.020 4.330 4.350 -0.000 0.000 0.243 195 T C 0.977 175.670 174.700 -0.011 0.000 1.206 195 T CA 1.708 63.801 62.100 -0.012 0.000 1.356 195 T CB -0.408 68.463 68.868 0.004 0.000 0.910 195 T HN 1.243 nan 8.240 nan 0.000 0.393 196 T N 2.811 117.360 114.554 -0.009 0.000 3.327 196 T HA 0.515 4.865 4.350 -0.000 0.000 0.373 196 T C -2.270 172.424 174.700 -0.010 0.000 1.589 196 T CA -1.437 60.659 62.100 -0.007 0.000 1.497 196 T CB 0.584 69.451 68.868 -0.001 0.000 1.032 196 T HN 0.273 nan 8.240 nan 0.000 0.640 197 P HA 0.273 nan 4.420 nan 0.000 0.200 197 P C 1.031 178.324 177.300 -0.012 0.000 1.204 197 P CA 0.718 63.809 63.100 -0.016 0.000 0.886 197 P CB -0.221 31.466 31.700 -0.022 0.000 0.718 198 E N 0.126 120.319 120.200 -0.012 0.000 4.068 198 E HA 0.454 4.804 4.350 -0.000 0.000 0.355 198 E C 0.554 177.149 176.600 -0.008 0.000 1.511 198 E CA 0.137 56.531 56.400 -0.010 0.000 1.957 198 E CB -1.573 28.121 29.700 -0.010 0.000 1.345 198 E HN 0.502 nan 8.360 nan 0.000 0.796 199 R N -1.857 118.638 120.500 -0.007 0.000 3.734 199 R HA 0.185 4.525 4.340 -0.000 0.000 0.101 199 R C 0.544 176.841 176.300 -0.005 0.000 0.644 199 R CA 1.797 57.894 56.100 -0.006 0.000 0.718 199 R CB -2.496 27.800 30.300 -0.006 0.000 1.178 199 R HN 1.935 nan 8.270 nan 0.000 0.215 200 E N 0.916 121.114 120.200 -0.004 0.000 2.464 200 E HA 0.647 4.997 4.350 -0.000 0.000 0.260 200 E C 0.854 177.452 176.600 -0.003 0.000 1.318 200 E CA 0.437 56.835 56.400 -0.003 0.000 1.571 200 E CB -0.375 29.324 29.700 -0.003 0.000 1.525 200 E HN 2.628 nan 8.360 nan 0.000 0.449 201 V N -0.477 119.435 119.914 -0.004 0.000 6.831 201 V HA -0.006 4.114 4.120 -0.000 0.000 0.370 201 V C -1.222 174.869 176.094 -0.005 0.000 0.661 201 V CA -0.259 62.039 62.300 -0.004 0.000 1.201 201 V CB -2.241 29.580 31.823 -0.004 0.000 0.631 201 V HN 0.436 nan 8.190 nan 0.000 0.697 202 P HA 0.512 nan 4.420 nan 0.000 0.213 202 P C 0.741 178.037 177.300 -0.008 0.000 1.149 202 P CA 2.431 65.528 63.100 -0.006 0.000 0.829 202 P CB 0.069 31.766 31.700 -0.005 0.000 0.548 203 R N -1.229 119.266 120.500 -0.009 0.000 2.947 203 R HA 0.743 5.083 4.340 -0.000 0.000 0.253 203 R C 0.097 176.389 176.300 -0.014 0.000 1.208 203 R CA -0.534 55.558 56.100 -0.013 0.000 1.012 203 R CB 0.244 30.535 30.300 -0.015 0.000 1.267 203 R HN 0.303 nan 8.270 nan 0.000 0.473 204 R N -1.200 119.286 120.500 -0.024 0.000 2.617 204 R HA 0.210 4.550 4.340 -0.000 0.000 0.432 204 R C -0.563 175.707 176.300 -0.051 0.000 1.018 204 R CA 0.339 56.423 56.100 -0.026 0.000 1.077 204 R CB 0.880 31.165 30.300 -0.025 0.000 1.394 204 R HN 0.721 nan 8.270 nan 0.000 0.608 205 W N 1.076 122.346 121.300 -0.050 0.000 2.497 205 W HA 0.306 4.966 4.660 -0.000 0.000 0.359 205 W C 1.184 177.684 176.519 -0.032 0.000 1.131 205 W CA -0.405 56.892 57.345 -0.081 0.000 1.280 205 W CB 0.597 30.013 29.460 -0.073 0.000 1.319 205 W HN 0.245 nan 8.180 nan 0.000 0.626 206 E N 1.054 121.243 120.200 -0.019 0.000 2.001 206 E HA 0.218 4.568 4.350 -0.000 0.000 0.193 206 E C 1.483 178.123 176.600 0.066 0.000 0.994 206 E CA 2.644 59.093 56.400 0.081 0.000 0.815 206 E CB -0.286 29.550 29.700 0.227 0.000 0.770 206 E HN 1.725 nan 8.360 nan 0.000 0.453 207 R N -0.408 120.133 120.500 0.068 0.000 1.094 207 R HA -0.083 4.256 4.340 -0.000 0.000 0.425 207 R C -0.211 176.119 176.300 0.049 0.000 1.354 207 R CA 0.852 56.980 56.100 0.046 0.000 1.170 207 R CB -3.118 27.197 30.300 0.025 0.000 3.409 207 R HN 0.825 nan 8.270 nan 0.000 0.505 208 T N 2.153 116.731 114.554 0.039 0.000 3.317 208 T HA 0.609 4.959 4.350 -0.000 0.000 0.361 208 T C -1.987 172.724 174.700 0.017 0.000 1.499 208 T CA -1.043 61.075 62.100 0.029 0.000 1.529 208 T CB 1.461 70.345 68.868 0.026 0.000 0.997 208 T HN 0.776 nan 8.240 nan 0.000 0.624 209 P HA 0.326 nan 4.420 nan 0.000 0.278 209 P C 0.205 177.508 177.300 0.005 0.000 1.270 209 P CA 0.093 63.199 63.100 0.009 0.000 0.800 209 P CB 0.202 31.908 31.700 0.010 0.000 1.142 210 D N -1.274 119.128 120.400 0.002 0.000 2.313 210 D HA 0.471 5.111 4.640 -0.000 0.000 0.239 210 D C 0.988 177.289 176.300 0.003 0.000 1.142 210 D CA -0.013 53.986 54.000 -0.000 0.000 0.847 210 D CB 0.250 41.047 40.800 -0.005 0.000 1.082 210 D HN 0.682 nan 8.370 nan 0.000 0.480 211 G N -0.662 108.141 108.800 0.004 0.000 2.481 211 G HA2 0.398 4.358 3.960 -0.000 0.000 0.200 211 G HA3 0.398 4.358 3.960 -0.000 0.000 0.200 211 G C 0.648 175.554 174.900 0.010 0.000 1.012 211 G CA 0.679 45.783 45.100 0.007 0.000 0.676 211 G HN 2.209 nan 8.290 nan 0.000 0.488 212 I N -0.980 119.597 120.570 0.012 0.000 3.203 212 I HA 0.855 5.025 4.170 -0.000 0.000 0.321 212 I C -1.403 174.725 176.117 0.019 0.000 1.415 212 I CA -0.277 61.033 61.300 0.017 0.000 0.909 212 I CB 1.186 39.201 38.000 0.025 0.000 1.260 212 I HN 1.659 nan 8.210 nan 0.000 0.499 213 L N 0.011 121.252 121.223 0.030 0.000 2.439 213 L HA 0.937 5.277 4.340 -0.000 0.000 0.270 213 L C -0.636 176.267 176.870 0.054 0.000 0.972 213 L CA -0.782 54.081 54.840 0.038 0.000 0.836 213 L CB 0.738 42.818 42.059 0.034 0.000 1.255 213 L HN 1.593 nan 8.230 nan 0.000 0.404 214 V N 4.900 124.844 119.914 0.050 0.000 3.336 214 V HA 0.726 4.845 4.120 -0.000 0.000 0.314 214 V C -0.787 175.344 176.094 0.062 0.000 1.088 214 V CA -0.668 61.664 62.300 0.053 0.000 1.033 214 V CB 2.047 33.892 31.823 0.036 0.000 1.181 214 V HN 0.958 nan 8.190 nan 0.000 0.449 215 L N 2.910 124.169 121.223 0.060 0.000 2.811 215 L HA 0.740 5.080 4.340 -0.000 0.000 0.251 215 L C -0.634 176.266 176.870 0.049 0.000 0.971 215 L CA -0.004 54.873 54.840 0.063 0.000 0.990 215 L CB 0.812 42.927 42.059 0.092 0.000 1.320 215 L HN 0.869 nan 8.230 nan 0.000 0.473 216 A N 3.348 126.187 122.820 0.031 0.000 2.288 216 A HA 0.994 5.314 4.320 -0.000 0.000 0.328 216 A C -0.844 176.751 177.584 0.018 0.000 1.123 216 A CA 0.138 52.188 52.037 0.021 0.000 0.861 216 A CB 1.414 20.420 19.000 0.010 0.000 1.272 216 A HN 1.529 nan 8.150 nan 0.000 0.490 217 F N 0.201 120.160 119.950 0.015 0.000 2.683 217 F HA 0.706 5.233 4.527 -0.000 0.000 0.333 217 F C -3.378 172.428 175.800 0.010 0.000 1.160 217 F CA -1.317 56.692 58.000 0.015 0.000 1.099 217 F CB 1.097 40.115 39.000 0.029 0.000 1.344 217 F HN 0.694 nan 8.300 nan 0.000 0.534 218 P HA 0.808 nan 4.420 nan 0.000 0.301 218 P C -3.243 174.060 177.300 0.006 0.000 1.158 218 P CA -1.432 61.671 63.100 0.005 0.000 1.140 218 P CB 3.233 34.932 31.700 -0.001 0.000 1.545 227 W N 0.333 121.618 121.300 -0.026 0.000 2.689 227 W HA 0.885 5.545 4.660 -0.000 0.000 0.340 227 W C -0.195 176.344 176.519 0.032 0.000 1.060 227 W CA -0.801 56.544 57.345 -0.000 0.000 1.218 227 W CB 2.198 31.643 29.460 -0.025 0.000 1.410 227 W HN 1.355 nan 8.180 nan 0.000 0.528 228 S N 1.680 117.416 115.700 0.060 0.000 2.614 228 S HA 0.609 5.079 4.470 -0.000 0.000 0.275 228 S C -1.196 173.458 174.600 0.091 0.000 1.161 228 S CA 0.081 58.338 58.200 0.095 0.000 0.969 228 S CB 1.425 64.701 63.200 0.128 0.000 1.059 228 S HN 1.537 nan 8.310 nan 0.000 0.482 229 S N 3.168 118.928 115.700 0.099 0.000 2.736 229 S HA 0.655 5.125 4.470 -0.000 0.000 0.285 229 S C -1.205 173.465 174.600 0.117 0.000 1.163 229 S CA -0.453 57.800 58.200 0.089 0.000 1.025 229 S CB 1.143 64.378 63.200 0.057 0.000 1.030 229 S HN 0.656 nan 8.310 nan 0.000 0.486 230 S N 3.217 118.990 115.700 0.123 0.000 2.451 230 S HA 0.623 5.093 4.470 -0.000 0.000 0.301 230 S C -0.584 174.064 174.600 0.079 0.000 1.116 230 S CA -0.674 57.610 58.200 0.140 0.000 1.093 230 S CB 1.581 64.873 63.200 0.154 0.000 1.017 230 S HN 0.611 nan 8.310 nan 0.000 0.482 231 S N 2.040 117.784 115.700 0.074 0.000 2.478 231 S HA 0.480 4.950 4.470 -0.000 0.000 0.312 231 S C -0.293 174.325 174.600 0.031 0.000 1.094 231 S CA -0.681 57.545 58.200 0.044 0.000 1.081 231 S CB 1.445 64.669 63.200 0.041 0.000 1.007 231 S HN 0.634 nan 8.310 nan 0.000 0.475 232 T N 2.455 117.015 114.554 0.010 0.000 2.738 232 T HA 0.579 4.929 4.350 -0.000 0.000 0.298 232 T C 0.825 175.528 174.700 0.006 0.000 0.962 232 T CA 0.144 62.242 62.100 -0.004 0.000 0.972 232 T CB 0.732 69.585 68.868 -0.024 0.000 0.928 232 T HN 1.018 nan 8.240 nan 0.000 0.474 233 G N 1.310 110.117 108.800 0.012 0.000 2.157 233 G HA2 0.185 4.145 3.960 -0.000 0.000 0.114 233 G HA3 0.185 4.145 3.960 -0.000 0.000 0.114 233 G C -0.306 174.605 174.900 0.019 0.000 1.041 233 G CA -0.224 44.884 45.100 0.014 0.000 0.714 233 G HN 1.212 nan 8.290 nan 0.000 0.492 234 H N -1.358 117.728 119.070 0.027 0.000 2.658 234 H HA 1.050 5.606 4.556 -0.000 0.000 0.337 234 H C 0.231 175.579 175.328 0.035 0.000 1.009 234 H CA 0.686 56.752 56.048 0.030 0.000 1.231 234 H CB 1.182 30.965 29.762 0.034 0.000 1.508 234 H HN 1.380 nan 8.280 nan 0.000 0.517 240 E N 0.530 120.732 120.200 0.004 0.000 2.414 240 E HA 0.541 4.891 4.350 -0.000 0.000 0.263 240 E C 0.750 177.348 176.600 -0.002 0.000 1.000 240 E CA 0.200 56.600 56.400 0.000 0.000 0.914 240 E CB 0.512 30.212 29.700 -0.000 0.000 0.948 240 E HN 1.273 nan 8.360 nan 0.000 0.444 241 G N 2.137 110.934 108.800 -0.005 0.000 2.477 241 G HA2 0.565 4.525 3.960 -0.000 0.000 0.304 241 G HA3 0.565 4.525 3.960 -0.000 0.000 0.304 241 G C -1.917 172.975 174.900 -0.012 0.000 1.175 241 G CA -0.870 44.226 45.100 -0.007 0.000 0.907 241 G HN 0.633 nan 8.290 nan 0.000 0.509 242 P HA -0.029 nan 4.420 nan 0.000 0.275 242 P C -0.090 177.196 177.300 -0.024 0.000 1.212 242 P CA -0.307 62.782 63.100 -0.019 0.000 0.793 242 P CB 0.377 32.070 31.700 -0.012 0.000 0.820 243 V N 1.113 121.007 119.914 -0.034 0.000 2.465 243 V HA 0.379 4.499 4.120 -0.000 0.000 0.279 243 V C 0.278 176.353 176.094 -0.032 0.000 1.045 243 V CA 0.213 62.491 62.300 -0.038 0.000 0.938 243 V CB 1.311 33.099 31.823 -0.058 0.000 0.986 243 V HN 0.749 nan 8.190 nan 0.000 0.467 244 T N 4.842 119.378 114.554 -0.029 0.000 2.949 244 T HA 0.340 4.690 4.350 -0.000 0.000 0.287 244 T C 0.671 175.350 174.700 -0.035 0.000 1.034 244 T CA -0.286 61.796 62.100 -0.029 0.000 1.018 244 T CB 1.443 70.298 68.868 -0.022 0.000 1.135 244 T HN 0.625 nan 8.240 nan 0.000 0.532 245 L N 2.770 123.971 121.223 -0.037 0.000 2.017 245 L HA 0.164 4.504 4.340 -0.000 0.000 0.208 245 L C 2.769 179.619 176.870 -0.033 0.000 1.073 245 L CA 2.963 57.778 54.840 -0.043 0.000 0.745 245 L CB -1.315 40.717 42.059 -0.044 0.000 0.894 245 L HN 0.953 nan 8.230 nan 0.000 0.432 246 E N -1.239 118.945 120.200 -0.025 0.000 2.338 246 E HA -0.244 4.106 4.350 -0.000 0.000 0.197 246 E C 1.889 178.479 176.600 -0.017 0.000 1.007 246 E CA 1.241 57.629 56.400 -0.019 0.000 0.849 246 E CB -0.940 28.750 29.700 -0.016 0.000 0.774 246 E HN 0.635 nan 8.360 nan 0.000 0.506 247 D N -0.642 119.747 120.400 -0.019 0.000 2.224 247 D HA -0.060 4.580 4.640 -0.000 0.000 0.205 247 D C 1.780 178.071 176.300 -0.015 0.000 0.965 247 D CA 0.766 54.756 54.000 -0.016 0.000 0.852 247 D CB 0.142 40.930 40.800 -0.020 0.000 0.947 247 D HN 0.399 nan 8.370 nan 0.000 0.494 248 L N -0.138 121.072 121.223 -0.021 0.000 2.249 248 L HA 0.233 4.573 4.340 -0.000 0.000 0.207 248 L C 2.113 178.975 176.870 -0.014 0.000 1.090 248 L CA 1.412 56.240 54.840 -0.020 0.000 0.802 248 L CB -0.714 41.324 42.059 -0.035 0.000 0.947 248 L HN -0.009 nan 8.230 nan 0.000 0.453 249 G N -0.554 108.237 108.800 -0.016 0.000 2.421 249 G HA2 -0.258 3.702 3.960 -0.000 0.000 0.216 249 G HA3 -0.258 3.702 3.960 -0.000 0.000 0.216 249 G C 1.535 176.431 174.900 -0.006 0.000 1.171 249 G CA 0.764 45.856 45.100 -0.012 0.000 0.775 249 G HN 0.568 nan 8.290 nan 0.000 0.543 250 A N 0.876 123.693 122.820 -0.005 0.000 2.014 250 A HA 0.452 4.772 4.320 -0.000 0.000 0.218 250 A C 2.729 180.315 177.584 0.003 0.000 1.163 250 A CA 1.721 53.757 52.037 -0.001 0.000 0.652 250 A CB -0.535 18.464 19.000 -0.001 0.000 0.808 250 A HN 0.734 nan 8.150 nan 0.000 0.449 251 A N -0.305 122.518 122.820 0.004 0.000 2.024 251 A HA 0.020 4.340 4.320 -0.000 0.000 0.220 251 A C 1.406 178.999 177.584 0.014 0.000 1.164 251 A CA 1.453 53.497 52.037 0.011 0.000 0.643 251 A CB -0.675 18.333 19.000 0.013 0.000 0.806 251 A HN 0.440 nan 8.150 nan 0.000 0.451 252 V N 0.475 120.395 119.914 0.009 0.000 3.111 252 V HA 0.169 4.289 4.120 -0.000 0.000 0.381 252 V C 1.770 177.868 176.094 0.007 0.000 1.387 252 V CA 0.565 62.871 62.300 0.009 0.000 1.550 252 V CB -0.998 30.828 31.823 0.005 0.000 1.305 252 V HN 0.552 nan 8.190 nan 0.000 0.494 253 A N 0.829 123.655 122.820 0.009 0.000 2.208 253 A HA 0.060 4.380 4.320 -0.000 0.000 0.209 253 A C 2.400 179.989 177.584 0.008 0.000 1.161 253 A CA 1.055 53.096 52.037 0.007 0.000 0.782 253 A CB -0.312 18.692 19.000 0.007 0.000 0.816 253 A HN 0.604 nan 8.150 nan 0.000 0.477 254 R N -0.302 120.206 120.500 0.012 0.000 2.148 254 R HA 0.309 4.649 4.340 -0.000 0.000 0.223 254 R C 0.858 177.164 176.300 0.010 0.000 1.088 254 R CA 1.418 57.526 56.100 0.013 0.000 0.985 254 R CB -1.206 29.106 30.300 0.019 0.000 0.880 254 R HN 0.325 nan 8.270 nan 0.000 0.451 255 V N -1.261 118.658 119.914 0.009 0.000 2.713 255 V HA 0.615 4.734 4.120 -0.000 0.000 0.307 255 V C 1.750 177.846 176.094 0.003 0.000 1.052 255 V CA -0.265 62.039 62.300 0.006 0.000 0.967 255 V CB 1.349 33.176 31.823 0.006 0.000 1.019 255 V HN 0.580 nan 8.190 nan 0.000 0.459 256 R N 2.433 122.934 120.500 0.002 0.000 2.054 256 R HA 0.225 4.565 4.340 -0.000 0.000 0.223 256 R C 1.493 177.793 176.300 -0.000 0.000 1.176 256 R CA 0.899 56.999 56.100 0.000 0.000 0.934 256 R CB -1.334 28.965 30.300 -0.001 0.000 0.828 256 R HN 1.230 nan 8.270 nan 0.000 0.441 257 G N 0.900 109.699 108.800 -0.001 0.000 2.224 257 G HA2 0.272 4.232 3.960 -0.000 0.000 0.239 257 G HA3 0.272 4.232 3.960 -0.000 0.000 0.239 257 G C -0.299 174.600 174.900 -0.002 0.000 1.240 257 G CA 0.611 45.709 45.100 -0.002 0.000 0.896 257 G HN 0.515 nan 8.290 nan 0.000 0.496 258 T N 5.518 120.070 114.554 -0.003 0.000 3.355 258 T HA 0.314 4.664 4.350 -0.000 0.000 0.376 258 T C -1.064 173.632 174.700 -0.006 0.000 1.683 258 T CA -0.764 61.334 62.100 -0.004 0.000 1.269 258 T CB 1.333 70.198 68.868 -0.004 0.000 1.158 258 T HN 0.392 nan 8.240 nan 0.000 0.703 259 P HA -0.026 nan 4.420 nan 0.000 0.210 259 P C 1.277 178.570 177.300 -0.011 0.000 1.185 259 P CA 0.855 63.949 63.100 -0.009 0.000 0.924 259 P CB -0.342 31.352 31.700 -0.010 0.000 0.786 260 L N -0.642 120.573 121.223 -0.013 0.000 3.995 260 L HA -0.185 4.155 4.340 -0.000 0.000 0.513 260 L C 0.965 177.825 176.870 -0.017 0.000 1.147 260 L CA 1.638 56.469 54.840 -0.015 0.000 0.703 260 L CB -3.190 38.862 42.059 -0.011 0.000 1.306 260 L HN 0.412 nan 8.230 nan 0.000 0.779 261 T N -3.037 111.504 114.554 -0.021 0.000 3.507 261 T HA 0.711 5.061 4.350 -0.000 0.000 0.280 261 T C 1.474 176.160 174.700 -0.024 0.000 0.976 261 T CA 1.368 63.454 62.100 -0.024 0.000 1.096 261 T CB 0.028 68.875 68.868 -0.034 0.000 1.168 261 T HN 2.061 nan 8.240 nan 0.000 0.463 262 L N 0.595 121.803 121.223 -0.025 0.000 3.538 262 L HA 0.908 5.247 4.340 -0.000 0.000 0.215 262 L C -0.047 176.804 176.870 -0.032 0.000 1.337 262 L CA -0.112 54.712 54.840 -0.027 0.000 1.992 262 L CB -0.405 41.642 42.059 -0.021 0.000 2.062 262 L HN 0.156 nan 8.230 nan 0.000 0.828 263 T N 1.243 115.781 114.554 -0.027 0.000 2.890 263 T HA 0.607 4.957 4.350 -0.000 0.000 0.295 263 T C -1.152 173.536 174.700 -0.021 0.000 0.993 263 T CA 0.016 62.099 62.100 -0.028 0.000 0.979 263 T CB 1.011 69.863 68.868 -0.027 0.000 0.967 263 T HN 0.709 nan 8.240 nan 0.000 0.441 264 E N 2.692 122.879 120.200 -0.020 0.000 3.783 264 E HA -0.105 4.245 4.350 -0.000 0.000 0.154 264 E C -2.634 173.946 176.600 -0.033 0.000 1.748 264 E CA -0.140 56.244 56.400 -0.027 0.000 0.854 264 E CB -0.444 29.236 29.700 -0.033 0.000 1.075 264 E HN 0.382 nan 8.360 nan 0.000 0.360 265 P HA -0.088 nan 4.420 nan 0.000 0.266 265 P C 0.199 177.470 177.300 -0.049 0.000 1.180 265 P CA 0.047 63.130 63.100 -0.029 0.000 0.765 265 P CB 0.498 32.188 31.700 -0.016 0.000 0.806 266 V N 2.692 122.574 119.914 -0.053 0.000 3.003 266 V HA 0.321 4.441 4.120 -0.000 0.000 0.305 266 V C 0.632 176.670 176.094 -0.094 0.000 1.078 266 V CA 0.497 62.746 62.300 -0.086 0.000 1.083 266 V CB 1.125 32.908 31.823 -0.067 0.000 1.039 266 V HN 0.522 nan 8.190 nan 0.000 0.481 267 S N 2.254 117.839 115.700 -0.192 0.000 2.572 267 S HA 0.428 4.898 4.470 -0.000 0.000 0.274 267 S C 0.021 174.385 174.600 -0.393 0.000 1.150 267 S CA -0.773 57.312 58.200 -0.192 0.000 0.944 267 S CB 1.212 64.305 63.200 -0.179 0.000 1.071 267 S HN 0.945 nan 8.310 nan 0.000 0.479 268 W N 3.003 124.312 121.300 0.015 0.000 2.491 268 W HA -0.394 4.266 4.660 0.000 0.000 0.335 268 W C 0.269 176.830 176.519 0.070 0.000 1.693 268 W CA 1.496 58.882 57.345 0.068 0.000 1.699 268 W CB -2.177 27.476 29.460 0.323 0.000 0.914 268 W HN 1.475 nan 8.180 nan 0.000 0.480 269 L N 0.284 121.594 121.223 0.146 0.000 2.768 269 L HA 0.090 4.430 4.340 -0.000 0.000 0.566 269 L C -0.674 176.257 176.870 0.101 0.000 1.001 269 L CA 0.928 55.762 54.840 -0.010 0.000 1.287 269 L CB -1.774 40.192 42.059 -0.156 0.000 1.674 269 L HN 0.727 nan 8.230 nan 0.000 0.827 270 S N 3.119 118.867 115.700 0.080 0.000 2.806 270 S HA 0.957 5.427 4.470 -0.000 0.000 0.306 270 S C -0.736 173.623 174.600 -0.401 0.000 1.167 270 S CA -0.499 57.603 58.200 -0.164 0.000 0.847 270 S CB 2.025 65.095 63.200 -0.215 0.000 1.216 270 S HN 1.105 nan 8.310 nan 0.000 0.532 271 R N 0.094 120.157 120.500 -0.728 0.000 2.686 271 R HA 0.730 5.070 4.340 -0.000 0.000 0.283 271 R C -2.120 173.649 176.300 -0.885 0.000 0.978 271 R CA -0.502 55.257 56.100 -0.567 0.000 0.897 271 R CB 0.929 31.083 30.300 -0.244 0.000 1.192 271 R HN 0.589 nan 8.270 nan 0.000 0.457 272 F N 0.492 120.448 119.950 0.009 0.000 2.591 272 F HA 0.608 5.135 4.527 -0.000 0.000 0.309 272 F C 0.431 176.245 175.800 0.025 0.000 1.098 272 F CA -0.826 57.154 58.000 -0.034 0.000 0.937 272 F CB 2.817 41.728 39.000 -0.150 0.000 1.250 272 F HN 0.819 nan 8.300 nan 0.000 0.447 273 G N -0.081 108.864 108.800 0.242 0.000 2.667 273 G HA2 0.429 4.389 3.960 -0.000 0.000 0.310 273 G HA3 0.429 4.389 3.960 -0.000 0.000 0.310 273 G C -0.952 174.153 174.900 0.342 0.000 1.259 273 G CA -0.624 44.629 45.100 0.256 0.000 1.019 273 G HN 0.659 nan 8.290 nan 0.000 0.496 274 D N -0.964 119.645 120.400 0.348 0.000 2.643 274 D HA 0.326 4.966 4.640 -0.000 0.000 0.244 274 D C 0.883 177.297 176.300 0.189 0.000 1.257 274 D CA -0.270 53.949 54.000 0.366 0.000 0.831 274 D CB 0.219 41.161 40.800 0.236 0.000 1.043 274 D HN 0.469 nan 8.370 nan 0.000 0.488 275 A N 0.194 123.102 122.820 0.146 0.000 2.524 275 A HA 0.356 4.676 4.320 -0.000 0.000 0.250 275 A C 0.363 177.990 177.584 0.071 0.000 1.078 275 A CA -0.144 51.943 52.037 0.083 0.000 0.761 275 A CB 0.266 19.307 19.000 0.068 0.000 1.012 275 A HN 0.170 nan 8.150 nan 0.000 0.500 276 S N 3.343 119.064 115.700 0.035 0.000 2.457 276 S HA 0.329 4.799 4.470 -0.000 0.000 0.216 276 S C 0.066 174.625 174.600 -0.067 0.000 1.392 276 S CA -0.528 57.689 58.200 0.029 0.000 1.102 276 S CB 0.054 63.283 63.200 0.048 0.000 1.114 276 S HN 0.733 nan 8.310 nan 0.000 0.484 277 R N 1.672 122.073 120.500 -0.165 0.000 2.720 277 R HA 0.644 4.984 4.340 -0.000 0.000 0.272 277 R C -0.482 175.538 176.300 -0.468 0.000 0.991 277 R CA -0.874 54.945 56.100 -0.468 0.000 1.010 277 R CB 1.323 31.108 30.300 -0.857 0.000 1.141 277 R HN 0.439 nan 8.270 nan 0.000 0.494 278 Q N 0.821 120.291 119.800 -0.550 0.000 2.364 278 Q HA 0.330 4.670 4.340 -0.000 0.000 0.257 278 Q C -1.557 174.584 176.000 0.234 0.000 0.956 278 Q CA -0.472 55.297 55.803 -0.056 0.000 0.924 278 Q CB 2.153 30.935 28.738 0.072 0.000 1.413 278 Q HN 0.845 nan 8.270 nan 0.000 0.418 279 A N 2.987 126.165 122.820 0.595 0.000 2.603 279 A HA -0.085 4.235 4.320 -0.000 0.000 0.235 279 A C 0.674 178.503 177.584 0.408 0.000 1.035 279 A CA 1.028 53.351 52.037 0.476 0.000 0.755 279 A CB 0.246 19.330 19.000 0.140 0.000 0.954 279 A HN 0.882 nan 8.150 nan 0.000 0.511 280 K N 1.019 121.595 120.400 0.293 0.000 2.366 280 K HA 0.124 4.444 4.320 -0.000 0.000 0.198 280 K C 0.814 177.501 176.600 0.146 0.000 1.044 280 K CA 1.412 57.818 56.287 0.198 0.000 0.973 280 K CB -0.046 32.535 32.500 0.136 0.000 0.767 280 K HN 0.908 nan 8.250 nan 0.000 0.475 281 R N -0.065 120.553 120.500 0.196 0.000 2.522 281 R HA 0.235 4.575 4.340 -0.000 0.000 0.283 281 R C -0.642 175.859 176.300 0.334 0.000 1.074 281 R CA -0.636 55.570 56.100 0.178 0.000 0.925 281 R CB -0.519 29.763 30.300 -0.031 0.000 1.205 281 R HN 0.127 nan 8.270 nan 0.000 0.436 282 Y N 0.617 121.132 120.300 0.358 0.000 2.509 282 Y HA 0.105 4.655 4.550 -0.000 0.000 0.293 282 Y C 1.410 177.453 175.900 0.238 0.000 1.133 282 Y CA 1.591 59.880 58.100 0.314 0.000 1.283 282 Y CB 0.455 39.112 38.460 0.328 0.000 1.001 282 Y HN 0.657 nan 8.280 nan 0.000 0.555 283 R N -0.242 120.422 120.500 0.274 0.000 2.599 283 R HA 0.495 4.835 4.340 -0.000 0.000 0.295 283 R C -1.007 175.331 176.300 0.063 0.000 0.963 283 R CA -0.357 55.834 56.100 0.151 0.000 0.883 283 R CB 1.506 31.881 30.300 0.125 0.000 1.171 283 R HN -0.140 nan 8.270 nan 0.000 0.450 284 S N 2.892 118.624 115.700 0.054 0.000 2.279 284 S HA 0.444 4.914 4.470 -0.000 0.000 0.176 284 S C 0.387 175.003 174.600 0.027 0.000 1.554 284 S CA 0.397 58.612 58.200 0.025 0.000 1.242 284 S CB 0.520 63.729 63.200 0.015 0.000 1.163 284 S HN 1.065 nan 8.310 nan 0.000 0.449 285 G N 5.041 113.858 108.800 0.029 0.000 4.026 285 G HA2 -0.325 3.635 3.960 -0.000 0.000 0.309 285 G HA3 -0.325 3.635 3.960 -0.000 0.000 0.309 285 G C 0.432 175.380 174.900 0.080 0.000 1.411 285 G CA 0.445 45.563 45.100 0.030 0.000 1.037 285 G HN 0.926 nan 8.290 nan 0.000 0.687 286 R N -0.341 120.193 120.500 0.057 0.000 2.590 286 R HA 0.608 4.948 4.340 -0.000 0.000 0.410 286 R C -0.186 176.199 176.300 0.141 0.000 1.010 286 R CA -0.141 56.028 56.100 0.115 0.000 1.155 286 R CB 0.736 30.888 30.300 -0.246 0.000 1.455 286 R HN 0.452 nan 8.270 nan 0.000 0.567 287 V N 2.086 122.053 119.914 0.088 0.000 2.532 287 V HA 0.497 4.617 4.120 -0.000 0.000 0.295 287 V C -0.124 176.016 176.094 0.076 0.000 1.041 287 V CA -0.638 61.703 62.300 0.069 0.000 0.926 287 V CB 1.887 33.726 31.823 0.026 0.000 0.992 287 V HN 0.173 nan 8.190 nan 0.000 0.457 288 L N 4.508 125.765 121.223 0.057 0.000 2.350 288 L HA 0.670 5.010 4.340 -0.000 0.000 0.260 288 L C -0.995 175.906 176.870 0.052 0.000 1.015 288 L CA -0.589 54.291 54.840 0.066 0.000 0.821 288 L CB 2.322 44.369 42.059 -0.019 0.000 1.370 288 L HN 0.379 nan 8.230 nan 0.000 0.416 289 L N 1.205 122.496 121.223 0.114 0.000 2.341 289 L HA 0.971 5.311 4.340 -0.000 0.000 0.267 289 L C -0.472 176.468 176.870 0.116 0.000 1.009 289 L CA -0.569 54.283 54.840 0.021 0.000 0.819 289 L CB 2.041 44.027 42.059 -0.122 0.000 1.323 289 L HN 0.759 nan 8.230 nan 0.000 0.425 290 A N 0.863 123.701 122.820 0.031 0.000 2.606 290 A HA 0.843 5.163 4.320 -0.000 0.000 0.293 290 A C -0.058 177.506 177.584 -0.033 0.000 1.082 290 A CA 0.053 52.160 52.037 0.117 0.000 0.685 290 A CB 1.250 20.348 19.000 0.163 0.000 1.284 290 A HN 1.077 nan 8.150 nan 0.000 0.408 291 G N 0.826 109.620 108.800 -0.010 0.000 2.574 291 G HA2 -0.253 3.706 3.960 -0.000 0.000 0.282 291 G HA3 -0.253 3.706 3.960 -0.000 0.000 0.282 291 G C 0.366 175.021 174.900 -0.407 0.000 1.257 291 G CA 1.006 46.049 45.100 -0.096 0.000 0.956 291 G HN 0.948 nan 8.290 nan 0.000 0.560 292 D N 0.621 120.900 120.400 -0.201 0.000 2.265 292 D HA 0.116 4.756 4.640 -0.000 0.000 0.208 292 D C 2.628 178.824 176.300 -0.174 0.000 0.977 292 D CA 1.893 55.785 54.000 -0.179 0.000 0.871 292 D CB -0.612 40.139 40.800 -0.083 0.000 0.925 292 D HN 0.895 nan 8.370 nan 0.000 0.485 293 A N -0.184 122.525 122.820 -0.186 0.000 2.216 293 A HA 0.180 4.500 4.320 -0.000 0.000 0.214 293 A C 1.990 179.434 177.584 -0.233 0.000 1.160 293 A CA 1.623 53.547 52.037 -0.189 0.000 0.725 293 A CB -0.054 18.853 19.000 -0.155 0.000 0.784 293 A HN 0.234 nan 8.150 nan 0.000 0.472 294 A N -1.100 121.538 122.820 -0.304 0.000 2.074 294 A HA 0.453 4.773 4.320 -0.000 0.000 0.200 294 A C 0.515 178.071 177.584 -0.047 0.000 1.335 294 A CA 0.650 52.487 52.037 -0.333 0.000 0.922 294 A CB 0.129 18.721 19.000 -0.680 0.000 0.972 294 A HN 0.723 nan 8.150 nan 0.000 0.475 295 H N -2.839 116.314 119.070 0.138 0.000 2.806 295 H HA 0.773 5.329 4.556 -0.000 0.000 0.367 295 H C -1.425 173.977 175.328 0.123 0.000 1.136 295 H CA -1.132 55.015 56.048 0.165 0.000 1.178 295 H CB 1.435 31.306 29.762 0.182 0.000 1.718 295 H HN -0.031 nan 8.280 nan 0.000 0.540 296 V N 3.037 123.074 119.914 0.204 0.000 2.623 296 V HA 0.462 4.582 4.120 -0.000 0.000 0.304 296 V C -1.037 175.091 176.094 0.057 0.000 1.054 296 V CA -0.553 61.769 62.300 0.036 0.000 0.882 296 V CB 1.358 33.227 31.823 0.077 0.000 1.002 296 V HN 1.176 nan 8.190 nan 0.000 0.424 297 H N 2.433 121.558 119.070 0.092 0.000 2.966 297 H HA 0.649 5.205 4.556 -0.000 0.000 0.330 297 H C -0.970 174.423 175.328 0.109 0.000 1.292 297 H CA -1.024 55.082 56.048 0.097 0.000 1.127 297 H CB 0.910 30.722 29.762 0.084 0.000 1.863 297 H HN 0.422 nan 8.280 nan 0.000 0.543 298 F N 1.822 121.880 119.950 0.180 0.000 2.506 298 F HA 0.280 4.807 4.527 -0.000 0.000 0.351 298 F C -1.928 173.965 175.800 0.155 0.000 1.136 298 F CA -2.222 55.847 58.000 0.115 0.000 1.298 298 F CB 0.808 39.859 39.000 0.085 0.000 1.145 298 F HN 0.417 nan 8.300 nan 0.000 0.593 299 P HA 0.174 nan 4.420 nan 0.000 0.231 299 P C -0.987 176.319 177.300 0.010 0.000 1.811 299 P CA 0.243 63.201 63.100 -0.236 0.000 1.051 299 P CB -0.062 31.333 31.700 -0.509 0.000 1.951 300 I N 0.279 120.996 120.570 0.244 0.000 2.410 300 I HA 0.590 4.760 4.170 -0.000 0.000 0.286 300 I C 0.957 177.146 176.117 0.120 0.000 1.009 300 I CA -0.006 61.432 61.300 0.230 0.000 1.111 300 I CB 0.852 39.019 38.000 0.279 0.000 1.262 300 I HN 0.425 nan 8.210 nan 0.000 0.443 301 G N 4.502 113.364 108.800 0.105 0.000 2.157 301 G HA2 -0.086 3.874 3.960 -0.000 0.000 0.248 301 G HA3 -0.086 3.874 3.960 -0.000 0.000 0.248 301 G C 0.998 176.025 174.900 0.212 0.000 0.979 301 G CA 0.025 45.201 45.100 0.126 0.000 0.650 301 G HN 2.024 nan 8.290 nan 0.000 0.529 302 G N -0.583 108.312 108.800 0.158 0.000 2.370 302 G HA2 -0.140 3.820 3.960 -0.000 0.000 0.293 302 G HA3 -0.140 3.820 3.960 -0.000 0.000 0.293 302 G C 0.567 175.577 174.900 0.184 0.000 0.992 302 G CA 1.175 46.357 45.100 0.137 0.000 1.247 302 G HN 1.116 nan 8.290 nan 0.000 0.505 303 Q N -0.720 119.169 119.800 0.149 0.000 2.247 303 Q HA 0.274 4.614 4.340 -0.000 0.000 0.211 303 Q C 2.523 178.603 176.000 0.133 0.000 0.861 303 Q CA 0.313 56.178 55.803 0.103 0.000 0.949 303 Q CB 0.636 29.353 28.738 -0.034 0.000 1.115 303 Q HN 0.552 nan 8.270 nan 0.000 0.507 304 G N 1.789 110.737 108.800 0.246 0.000 2.524 304 G HA2 -0.246 3.714 3.960 -0.000 0.000 0.215 304 G HA3 -0.246 3.714 3.960 -0.000 0.000 0.215 304 G C 1.264 176.275 174.900 0.186 0.000 1.239 304 G CA 0.416 45.697 45.100 0.303 0.000 0.798 304 G HN 0.287 nan 8.290 nan 0.000 0.557 305 L N 0.334 121.612 121.223 0.092 0.000 2.141 305 L HA -0.041 4.299 4.340 -0.000 0.000 0.209 305 L C 2.660 179.570 176.870 0.067 0.000 1.094 305 L CA 0.991 55.870 54.840 0.066 0.000 0.763 305 L CB -0.314 41.756 42.059 0.017 0.000 0.908 305 L HN 0.108 nan 8.230 nan 0.000 0.437 306 N N -0.281 118.448 118.700 0.048 0.000 2.018 306 N HA -0.199 4.541 4.740 -0.000 0.000 0.196 306 N C 1.704 177.245 175.510 0.052 0.000 1.043 306 N CA 2.261 55.328 53.050 0.029 0.000 0.856 306 N CB -0.791 37.724 38.487 0.047 0.000 1.042 306 N HN 0.327 nan 8.380 nan 0.000 0.423 307 T N -0.069 114.525 114.554 0.066 0.000 2.759 307 T HA -0.081 4.269 4.350 -0.000 0.000 0.269 307 T C 1.848 176.657 174.700 0.182 0.000 1.042 307 T CA 1.369 63.501 62.100 0.053 0.000 1.140 307 T CB -0.743 68.069 68.868 -0.093 0.000 0.864 307 T HN 0.416 nan 8.240 nan 0.000 0.455 308 G N 1.644 110.592 108.800 0.247 0.000 2.453 308 G HA2 -0.115 3.845 3.960 -0.000 0.000 0.215 308 G HA3 -0.115 3.845 3.960 -0.000 0.000 0.215 308 G C 1.475 176.483 174.900 0.179 0.000 1.201 308 G CA 0.432 45.685 45.100 0.256 0.000 0.784 308 G HN 0.428 nan 8.290 nan 0.000 0.545 309 L N 0.104 121.398 121.223 0.118 0.000 2.051 309 L HA -0.240 4.100 4.340 -0.000 0.000 0.214 309 L C 3.192 180.130 176.870 0.113 0.000 1.076 309 L CA 1.724 56.617 54.840 0.088 0.000 0.758 309 L CB -0.576 41.502 42.059 0.031 0.000 0.890 309 L HN 0.353 nan 8.230 nan 0.000 0.433 310 Q N -0.543 119.326 119.800 0.116 0.000 2.119 310 Q HA -0.202 4.137 4.340 -0.000 0.000 0.201 310 Q C 1.846 177.976 176.000 0.216 0.000 0.972 310 Q CA 1.356 57.248 55.803 0.148 0.000 0.847 310 Q CB -0.085 28.719 28.738 0.109 0.000 0.903 310 Q HN 0.459 nan 8.270 nan 0.000 0.433 311 D N 0.581 121.127 120.400 0.244 0.000 2.104 311 D HA -0.172 4.468 4.640 -0.000 0.000 0.194 311 D C 1.806 178.320 176.300 0.356 0.000 0.994 311 D CA 1.489 55.703 54.000 0.356 0.000 0.830 311 D CB -0.238 40.825 40.800 0.437 0.000 0.959 311 D HN 0.270 nan 8.370 nan 0.000 0.452 312 A N 0.474 123.435 122.820 0.235 0.000 1.865 312 A HA -0.168 4.152 4.320 -0.000 0.000 0.217 312 A C 2.570 180.248 177.584 0.157 0.000 1.191 312 A CA 1.568 53.697 52.037 0.155 0.000 0.623 312 A CB -0.868 18.202 19.000 0.118 0.000 0.826 312 A HN 0.168 nan 8.150 nan 0.000 0.444 313 V N 1.240 121.272 119.914 0.198 0.000 2.427 313 V HA -0.221 3.899 4.120 -0.000 0.000 0.248 313 V C 2.500 178.823 176.094 0.381 0.000 1.051 313 V CA 2.026 64.480 62.300 0.257 0.000 1.048 313 V CB -0.927 31.036 31.823 0.233 0.000 0.666 313 V HN 0.739 nan 8.190 nan 0.000 0.456 314 N N 0.134 119.042 118.700 0.348 0.000 2.244 314 N HA -0.138 4.602 4.740 -0.000 0.000 0.183 314 N C 1.764 177.336 175.510 0.104 0.000 1.016 314 N CA 1.438 54.702 53.050 0.355 0.000 0.866 314 N CB 0.043 38.694 38.487 0.274 0.000 0.980 314 N HN 0.436 nan 8.380 nan 0.000 0.430 315 L N 0.741 121.979 121.223 0.024 0.000 2.145 315 L HA 0.258 4.598 4.340 -0.000 0.000 0.201 315 L C 2.243 178.936 176.870 -0.294 0.000 1.075 315 L CA 1.596 56.230 54.840 -0.343 0.000 0.773 315 L CB -1.241 40.411 42.059 -0.678 0.000 0.936 315 L HN 0.124 nan 8.230 nan 0.000 0.451 316 G N 0.737 109.485 108.800 -0.086 0.000 2.766 316 G HA2 -0.383 3.577 3.960 -0.000 0.000 0.222 316 G HA3 -0.383 3.577 3.960 -0.000 0.000 0.222 316 G C 1.419 176.330 174.900 0.019 0.000 1.225 316 G CA 1.566 46.667 45.100 0.002 0.000 0.784 316 G HN 0.707 nan 8.290 nan 0.000 0.631 317 W N 1.197 122.529 121.300 0.054 0.000 2.402 317 W HA 0.096 4.756 4.660 -0.000 0.000 0.286 317 W C 1.995 178.556 176.519 0.070 0.000 1.221 317 W CA 1.142 58.547 57.345 0.099 0.000 1.257 317 W CB -0.629 28.931 29.460 0.167 0.000 1.120 317 W HN 0.248 nan 8.180 nan 0.000 0.551 318 K N 0.512 120.353 120.400 -0.931 0.000 2.057 318 K HA -0.159 4.160 4.320 -0.000 0.000 0.206 318 K C 2.199 178.494 176.600 -0.509 0.000 1.050 318 K CA 1.504 57.243 56.287 -0.914 0.000 0.935 318 K CB -0.460 31.458 32.500 -0.970 0.000 0.715 318 K HN 0.020 nan 8.250 nan 0.000 0.439 319 L N 1.156 122.112 121.223 -0.444 0.000 2.023 319 L HA -0.033 4.307 4.340 -0.000 0.000 0.205 319 L C 2.233 178.893 176.870 -0.351 0.000 1.073 319 L CA 1.687 56.268 54.840 -0.431 0.000 0.745 319 L CB -0.830 40.988 42.059 -0.402 0.000 0.900 319 L HN 0.121 nan 8.230 nan 0.000 0.435 320 A N -0.442 122.239 122.820 -0.232 0.000 1.958 320 A HA -0.248 4.072 4.320 -0.000 0.000 0.221 320 A C 2.422 179.789 177.584 -0.362 0.000 1.178 320 A CA 2.220 54.152 52.037 -0.175 0.000 0.642 320 A CB -1.177 17.809 19.000 -0.022 0.000 0.816 320 A HN 0.591 nan 8.150 nan 0.000 0.453 321 A N -0.315 122.196 122.820 -0.515 0.000 1.855 321 A HA -0.098 4.222 4.320 -0.000 0.000 0.215 321 A C 2.151 179.233 177.584 -0.836 0.000 1.191 321 A CA 2.069 53.411 52.037 -1.159 0.000 0.613 321 A CB -0.486 17.967 19.000 -0.913 0.000 0.829 321 A HN 0.484 nan 8.150 nan 0.000 0.442 322 R N 0.115 120.314 120.500 -0.502 0.000 2.103 322 R HA -0.131 4.209 4.340 -0.000 0.000 0.242 322 R C 1.789 177.966 176.300 -0.205 0.000 1.142 322 R CA 2.310 58.218 56.100 -0.319 0.000 0.960 322 R CB -1.309 28.784 30.300 -0.347 0.000 0.858 322 R HN 0.262 nan 8.270 nan 0.000 0.439 323 V N 1.002 120.793 119.914 -0.206 0.000 2.261 323 V HA -0.212 3.908 4.120 -0.000 0.000 0.246 323 V C 2.326 178.372 176.094 -0.080 0.000 1.047 323 V CA 2.335 64.594 62.300 -0.068 0.000 1.015 323 V CB -0.465 31.331 31.823 -0.044 0.000 0.642 323 V HN 0.382 nan 8.190 nan 0.000 0.446 324 R N -0.358 120.036 120.500 -0.175 0.000 2.285 324 R HA 0.074 4.414 4.340 -0.000 0.000 0.213 324 R C 1.727 178.036 176.300 0.016 0.000 1.068 324 R CA 0.952 57.011 56.100 -0.068 0.000 1.004 324 R CB -0.078 30.196 30.300 -0.044 0.000 0.873 324 R HN 0.669 nan 8.270 nan 0.000 0.467 325 G N 0.351 109.113 108.800 -0.063 0.000 2.909 325 G HA2 -0.254 3.706 3.960 -0.000 0.000 0.198 325 G HA3 -0.254 3.706 3.960 -0.000 0.000 0.198 325 G C 0.699 175.670 174.900 0.119 0.000 1.124 325 G CA 0.019 45.157 45.100 0.063 0.000 0.796 325 G HN 0.472 nan 8.290 nan 0.000 0.489 326 W N 2.309 123.688 121.300 0.132 0.000 2.436 326 W HA 0.456 5.115 4.660 -0.000 0.000 0.284 326 W C 1.269 177.896 176.519 0.181 0.000 1.225 326 W CA 0.745 58.198 57.345 0.180 0.000 1.271 326 W CB -0.653 28.955 29.460 0.245 0.000 1.114 326 W HN 0.702 nan 8.180 nan 0.000 0.559 327 G N 2.675 111.250 108.800 -0.375 0.000 2.327 327 G HA2 0.273 4.233 3.960 -0.000 0.000 0.278 327 G HA3 0.273 4.233 3.960 -0.000 0.000 0.278 327 G C 0.321 175.179 174.900 -0.070 0.000 1.145 327 G CA 0.166 45.119 45.100 -0.245 0.000 1.097 327 G HN 0.381 nan 8.290 nan 0.000 0.430 328 S N 2.147 117.866 115.700 0.031 0.000 2.634 328 S HA 0.228 4.698 4.470 -0.000 0.000 0.261 328 S C 1.103 175.695 174.600 -0.013 0.000 1.271 328 S CA -0.445 57.774 58.200 0.032 0.000 0.985 328 S CB 1.564 64.805 63.200 0.068 0.000 0.968 328 S HN 0.531 nan 8.310 nan 0.000 0.568 329 E N 1.114 121.312 120.200 -0.004 0.000 2.072 329 E HA -0.066 4.284 4.350 -0.000 0.000 0.190 329 E C 2.700 179.288 176.600 -0.020 0.000 0.982 329 E CA 1.559 57.951 56.400 -0.013 0.000 0.803 329 E CB -1.111 28.587 29.700 -0.002 0.000 0.755 329 E HN 0.924 nan 8.360 nan 0.000 0.453 330 E N 1.521 121.709 120.200 -0.020 0.000 2.097 330 E HA -0.195 4.155 4.350 -0.000 0.000 0.196 330 E C 2.035 178.665 176.600 0.050 0.000 1.000 330 E CA 1.508 57.894 56.400 -0.022 0.000 0.804 330 E CB -1.015 28.625 29.700 -0.101 0.000 0.740 330 E HN 0.165 nan 8.360 nan 0.000 0.454 331 L N -0.635 120.619 121.223 0.051 0.000 2.042 331 L HA -0.055 4.285 4.340 -0.000 0.000 0.210 331 L C 2.525 179.338 176.870 -0.094 0.000 1.076 331 L CA 2.083 56.914 54.840 -0.014 0.000 0.749 331 L CB -0.312 41.721 42.059 -0.044 0.000 0.893 331 L HN 0.392 nan 8.230 nan 0.000 0.432 332 L N -0.512 120.649 121.223 -0.103 0.000 2.093 332 L HA -0.152 4.188 4.340 -0.000 0.000 0.208 332 L C 1.922 178.778 176.870 -0.023 0.000 1.085 332 L CA 1.645 56.409 54.840 -0.126 0.000 0.755 332 L CB -0.901 41.059 42.059 -0.165 0.000 0.904 332 L HN 0.302 nan 8.230 nan 0.000 0.435 333 D N -1.056 119.342 120.400 -0.005 0.000 2.218 333 D HA -0.173 4.467 4.640 -0.000 0.000 0.204 333 D C 2.179 178.507 176.300 0.047 0.000 0.976 333 D CA 1.624 55.637 54.000 0.022 0.000 0.853 333 D CB -0.251 40.546 40.800 -0.005 0.000 0.939 333 D HN 0.538 nan 8.370 nan 0.000 0.481 334 T N -1.984 112.586 114.554 0.026 0.000 2.995 334 T HA -0.198 4.152 4.350 -0.000 0.000 0.269 334 T C 1.993 176.654 174.700 -0.064 0.000 1.091 334 T CA 0.503 62.599 62.100 -0.007 0.000 1.128 334 T CB -0.552 68.294 68.868 -0.037 0.000 0.891 334 T HN 0.169 nan 8.240 nan 0.000 0.492 335 Y N 2.161 122.375 120.300 -0.142 0.000 2.081 335 Y HA -0.253 4.297 4.550 -0.000 0.000 0.280 335 Y C 2.463 178.261 175.900 -0.170 0.000 1.163 335 Y CA 2.031 60.032 58.100 -0.165 0.000 1.135 335 Y CB -1.089 37.298 38.460 -0.121 0.000 0.970 335 Y HN 0.554 nan 8.280 nan 0.000 0.498 336 H N -0.560 118.270 119.070 -0.400 0.000 2.326 336 H HA -0.111 4.444 4.556 -0.000 0.000 0.301 336 H C 1.828 176.915 175.328 -0.402 0.000 1.081 336 H CA 2.003 57.721 56.048 -0.551 0.000 1.334 336 H CB -0.385 29.280 29.762 -0.161 0.000 1.385 336 H HN 0.323 nan 8.280 nan 0.000 0.504 337 D N 0.240 120.632 120.400 -0.014 0.000 2.172 337 D HA -0.169 4.471 4.640 -0.000 0.000 0.196 337 D C 1.837 178.036 176.300 -0.169 0.000 0.999 337 D CA 1.735 55.722 54.000 -0.022 0.000 0.856 337 D CB -0.101 40.718 40.800 0.031 0.000 0.934 337 D HN 0.683 nan 8.370 nan 0.000 0.453 338 E N -0.679 119.351 120.200 -0.283 0.000 2.127 338 E HA 0.065 4.415 4.350 -0.000 0.000 0.191 338 E C 2.049 178.472 176.600 -0.294 0.000 0.964 338 E CA 0.139 56.364 56.400 -0.291 0.000 0.832 338 E CB 0.325 29.639 29.700 -0.644 0.000 0.790 338 E HN 0.008 nan 8.360 nan 0.000 0.465 339 R N 0.096 120.276 120.500 -0.533 0.000 2.200 339 R HA 0.008 4.348 4.340 -0.000 0.000 0.208 339 R C 1.897 177.849 176.300 -0.582 0.000 1.033 339 R CA 0.815 56.593 56.100 -0.537 0.000 1.000 339 R CB -0.639 29.224 30.300 -0.727 0.000 0.906 339 R HN 0.288 nan 8.270 nan 0.000 0.462 340 H N 1.538 120.060 119.070 -0.914 0.000 2.299 340 H HA -0.017 4.539 4.556 -0.000 0.000 0.302 340 H C -0.882 174.285 175.328 -0.267 0.000 1.078 340 H CA 1.650 57.330 56.048 -0.613 0.000 1.323 340 H CB -0.773 28.483 29.762 -0.845 0.000 1.381 340 H HN 0.019 nan 8.280 nan 0.000 0.498 341 P HA -0.166 nan 4.420 nan 0.000 0.217 341 P C 1.582 178.790 177.300 -0.154 0.000 1.148 341 P CA 1.198 64.220 63.100 -0.129 0.000 0.828 341 P CB 0.064 31.724 31.700 -0.066 0.000 0.783 342 V N 0.036 119.852 119.914 -0.163 0.000 2.323 342 V HA -0.208 3.912 4.120 -0.000 0.000 0.244 342 V C 2.459 178.443 176.094 -0.183 0.000 1.041 342 V CA 2.273 64.485 62.300 -0.147 0.000 1.025 342 V CB -1.612 30.142 31.823 -0.114 0.000 0.656 342 V HN 0.098 nan 8.190 nan 0.000 0.451 343 A N -0.442 122.250 122.820 -0.213 0.000 1.930 343 A HA -0.211 4.109 4.320 -0.000 0.000 0.217 343 A C 2.074 179.541 177.584 -0.194 0.000 1.175 343 A CA 1.641 53.531 52.037 -0.245 0.000 0.627 343 A CB -0.469 18.409 19.000 -0.204 0.000 0.815 343 A HN 0.638 nan 8.150 nan 0.000 0.443 344 E N -0.499 119.561 120.200 -0.233 0.000 2.086 344 E HA -0.317 4.033 4.350 -0.000 0.000 0.205 344 E C 2.248 178.775 176.600 -0.120 0.000 1.027 344 E CA 1.781 58.072 56.400 -0.182 0.000 0.830 344 E CB -0.291 29.297 29.700 -0.186 0.000 0.751 344 E HN 0.700 nan 8.360 nan 0.000 0.456 345 R N 1.072 121.497 120.500 -0.125 0.000 2.081 345 R HA -0.135 4.204 4.340 -0.000 0.000 0.235 345 R C 2.280 178.515 176.300 -0.109 0.000 1.131 345 R CA 1.256 57.296 56.100 -0.100 0.000 0.960 345 R CB -0.273 29.963 30.300 -0.106 0.000 0.856 345 R HN 0.015 nan 8.270 nan 0.000 0.436 346 V N 1.857 121.676 119.914 -0.158 0.000 2.252 346 V HA -0.302 3.818 4.120 -0.000 0.000 0.249 346 V C 2.472 178.450 176.094 -0.194 0.000 1.056 346 V CA 2.098 64.270 62.300 -0.213 0.000 1.022 346 V CB -0.541 31.083 31.823 -0.332 0.000 0.641 346 V HN 0.370 nan 8.190 nan 0.000 0.445 347 L N -1.034 120.108 121.223 -0.135 0.000 2.043 347 L HA -0.243 4.097 4.340 -0.000 0.000 0.212 347 L C 2.479 179.337 176.870 -0.020 0.000 1.075 347 L CA 1.379 56.199 54.840 -0.034 0.000 0.752 347 L CB -0.758 41.307 42.059 0.010 0.000 0.891 347 L HN 0.319 nan 8.230 nan 0.000 0.432 348 L N 0.585 121.789 121.223 -0.033 0.000 2.072 348 L HA -0.168 4.172 4.340 -0.000 0.000 0.205 348 L C 2.400 179.276 176.870 0.009 0.000 1.079 348 L CA 1.903 56.738 54.840 -0.008 0.000 0.752 348 L CB -0.994 41.060 42.059 -0.008 0.000 0.906 348 L HN 0.473 nan 8.230 nan 0.000 0.436 349 N N -1.014 117.688 118.700 0.003 0.000 2.166 349 N HA -0.206 4.534 4.740 -0.000 0.000 0.186 349 N C 1.641 177.165 175.510 0.023 0.000 1.019 349 N CA 2.081 55.161 53.050 0.050 0.000 0.856 349 N CB -0.980 37.544 38.487 0.062 0.000 0.993 349 N HN 0.459 nan 8.380 nan 0.000 0.426 350 T N -2.046 112.501 114.554 -0.011 0.000 2.821 350 T HA -0.011 4.339 4.350 -0.000 0.000 0.267 350 T C 1.899 176.591 174.700 -0.014 0.000 1.046 350 T CA 0.810 62.912 62.100 0.003 0.000 1.139 350 T CB -0.324 68.578 68.868 0.058 0.000 0.871 350 T HN 0.189 nan 8.240 nan 0.000 0.454 351 R N 1.196 121.694 120.500 -0.003 0.000 2.092 351 R HA 0.249 4.589 4.340 -0.000 0.000 0.231 351 R C 2.946 179.225 176.300 -0.034 0.000 1.119 351 R CA 1.151 57.238 56.100 -0.021 0.000 0.970 351 R CB -0.526 29.774 30.300 -0.001 0.000 0.864 351 R HN 0.529 nan 8.270 nan 0.000 0.440 352 A N 0.719 123.535 122.820 -0.007 0.000 1.898 352 A HA -0.166 4.154 4.320 -0.000 0.000 0.214 352 A C 2.048 179.610 177.584 -0.038 0.000 1.183 352 A CA 0.877 52.919 52.037 0.009 0.000 0.622 352 A CB -0.329 18.716 19.000 0.076 0.000 0.824 352 A HN 0.264 nan 8.150 nan 0.000 0.444 353 Q N -0.382 119.370 119.800 -0.080 0.000 2.112 353 Q HA -0.160 4.180 4.340 -0.000 0.000 0.206 353 Q C 1.974 177.847 176.000 -0.211 0.000 0.987 353 Q CA 1.683 57.353 55.803 -0.222 0.000 0.858 353 Q CB -0.302 28.276 28.738 -0.267 0.000 0.905 353 Q HN 0.697 nan 8.270 nan 0.000 0.420 354 L N -0.376 120.736 121.223 -0.185 0.000 2.083 354 L HA -0.208 4.132 4.340 -0.000 0.000 0.209 354 L C 2.427 179.208 176.870 -0.148 0.000 1.083 354 L CA 0.939 55.648 54.840 -0.218 0.000 0.752 354 L CB -0.538 41.354 42.059 -0.278 0.000 0.899 354 L HN 0.282 nan 8.230 nan 0.000 0.433 355 A N -0.207 122.552 122.820 -0.102 0.000 1.933 355 A HA -0.152 4.168 4.320 -0.000 0.000 0.218 355 A C 2.224 179.774 177.584 -0.056 0.000 1.175 355 A CA 1.278 53.278 52.037 -0.061 0.000 0.628 355 A CB -0.550 18.431 19.000 -0.032 0.000 0.814 355 A HN 0.373 nan 8.150 nan 0.000 0.444 356 L N -1.284 119.890 121.223 -0.081 0.000 2.217 356 L HA -0.005 4.335 4.340 -0.000 0.000 0.211 356 L C 1.979 178.793 176.870 -0.094 0.000 1.107 356 L CA 0.823 55.614 54.840 -0.081 0.000 0.783 356 L CB -0.259 41.724 42.059 -0.126 0.000 0.919 356 L HN 0.444 nan 8.230 nan 0.000 0.442 357 M N -0.866 118.662 119.600 -0.120 0.000 2.453 357 M HA 0.073 4.553 4.480 -0.000 0.000 0.239 357 M C 0.761 177.018 176.300 -0.071 0.000 1.151 357 M CA -0.034 55.203 55.300 -0.104 0.000 0.989 357 M CB 0.067 32.587 32.600 -0.133 0.000 1.548 357 M HN 0.070 nan 8.290 nan 0.000 0.479 358 R N 2.388 122.854 120.500 -0.057 0.000 2.734 358 R HA 0.032 4.372 4.340 -0.000 0.000 0.266 358 R C -2.077 174.211 176.300 -0.020 0.000 1.044 358 R CA -0.810 55.267 56.100 -0.039 0.000 1.128 358 R CB 0.449 30.737 30.300 -0.020 0.000 1.010 358 R HN -0.101 nan 8.270 nan 0.000 0.461 359 P HA 0.139 nan 4.420 nan 0.000 0.228 359 P C -1.488 175.812 177.300 0.000 0.000 1.764 359 P CA 0.024 63.121 63.100 -0.005 0.000 0.929 359 P CB 0.240 31.938 31.700 -0.003 0.000 1.675 360 D N 0.249 120.653 120.400 0.006 0.000 2.303 360 D HA 0.087 4.727 4.640 -0.000 0.000 0.236 360 D C 0.872 177.166 176.300 -0.009 0.000 1.068 360 D CA -0.337 53.667 54.000 0.006 0.000 0.830 360 D CB 1.106 41.931 40.800 0.043 0.000 1.109 360 D HN -0.137 nan 8.370 nan 0.000 0.496 361 E N 2.567 122.748 120.200 -0.032 0.000 2.435 361 E HA -0.101 4.249 4.350 -0.000 0.000 0.195 361 E C 1.046 177.599 176.600 -0.079 0.000 1.029 361 E CA 0.334 56.710 56.400 -0.040 0.000 0.865 361 E CB 0.391 30.070 29.700 -0.035 0.000 0.833 361 E HN 0.666 nan 8.360 nan 0.000 0.510 362 Q N -0.565 119.143 119.800 -0.153 0.000 2.302 362 Q HA -0.053 4.287 4.340 -0.000 0.000 0.202 362 Q C 1.315 177.045 176.000 -0.449 0.000 0.936 362 Q CA 0.875 56.484 55.803 -0.324 0.000 0.886 362 Q CB 0.420 28.887 28.738 -0.452 0.000 0.986 362 Q HN 0.269 nan 8.270 nan 0.000 0.487 363 H N -2.571 116.512 119.070 0.021 0.000 2.824 363 H HA 0.219 4.775 4.556 -0.000 0.000 0.238 363 H C 1.505 176.857 175.328 0.039 0.000 0.931 363 H CA 0.961 57.028 56.048 0.032 0.000 1.090 363 H CB 0.410 30.186 29.762 0.023 0.000 1.433 363 H HN 0.113 nan 8.280 nan 0.000 0.437 364 T N 0.729 115.364 114.554 0.135 0.000 2.942 364 T HA -0.062 4.288 4.350 -0.000 0.000 0.265 364 T C 1.969 176.704 174.700 0.058 0.000 1.062 364 T CA 1.614 63.765 62.100 0.086 0.000 1.139 364 T CB -0.056 68.843 68.868 0.052 0.000 0.883 364 T HN 0.287 nan 8.240 nan 0.000 0.468 365 T N 2.510 117.085 114.554 0.036 0.000 2.643 365 T HA -0.066 4.284 4.350 -0.000 0.000 0.264 365 T C -0.550 174.166 174.700 0.027 0.000 1.045 365 T CA 1.174 63.285 62.100 0.018 0.000 1.155 365 T CB -1.250 67.616 68.868 -0.003 0.000 0.863 365 T HN 0.298 nan 8.240 nan 0.000 0.420 366 P HA -0.114 nan 4.420 nan 0.000 0.217 366 P C 1.665 179.076 177.300 0.185 0.000 1.158 366 P CA 0.827 63.977 63.100 0.083 0.000 0.887 366 P CB -0.225 31.568 31.700 0.154 0.000 0.792 367 L N -0.442 120.909 121.223 0.214 0.000 2.012 367 L HA -0.153 4.187 4.340 -0.000 0.000 0.210 367 L C 2.375 179.356 176.870 0.185 0.000 1.073 367 L CA 1.875 56.865 54.840 0.250 0.000 0.748 367 L CB -0.861 41.285 42.059 0.146 0.000 0.891 367 L HN -0.195 nan 8.230 nan 0.000 0.431 368 R N -0.553 120.000 120.500 0.090 0.000 2.105 368 R HA -0.124 4.216 4.340 -0.000 0.000 0.239 368 R C 2.208 178.522 176.300 0.023 0.000 1.135 368 R CA 1.081 57.207 56.100 0.044 0.000 0.967 368 R CB -0.987 29.320 30.300 0.011 0.000 0.861 368 R HN 0.614 nan 8.270 nan 0.000 0.442 369 G N 0.959 109.744 108.800 -0.026 0.000 2.511 369 G HA2 -0.274 3.686 3.960 -0.000 0.000 0.216 369 G HA3 -0.274 3.686 3.960 -0.000 0.000 0.216 369 G C 1.069 175.892 174.900 -0.127 0.000 1.218 369 G CA 0.843 45.859 45.100 -0.140 0.000 0.788 369 G HN 0.165 nan 8.290 nan 0.000 0.560 370 F N 0.587 120.544 119.950 0.012 0.000 2.120 370 F HA -0.111 4.416 4.527 -0.000 0.000 0.300 370 F C 2.934 178.742 175.800 0.014 0.000 1.095 370 F CA 1.032 59.040 58.000 0.013 0.000 1.249 370 F CB -0.836 38.173 39.000 0.015 0.000 0.995 370 F HN -0.014 nan 8.300 nan 0.000 0.480 371 V N -0.145 119.886 119.914 0.195 0.000 2.427 371 V HA -0.259 3.861 4.120 -0.000 0.000 0.248 371 V C 2.391 178.519 176.094 0.056 0.000 1.051 371 V CA 2.060 64.427 62.300 0.111 0.000 1.048 371 V CB -0.526 31.343 31.823 0.078 0.000 0.666 371 V HN 0.395 nan 8.190 nan 0.000 0.456 372 E N 0.251 120.473 120.200 0.037 0.000 2.106 372 E HA -0.285 4.065 4.350 -0.000 0.000 0.192 372 E C 2.218 178.829 176.600 0.019 0.000 0.984 372 E CA 1.542 57.950 56.400 0.013 0.000 0.806 372 E CB -0.004 29.696 29.700 -0.000 0.000 0.750 372 E HN 0.751 nan 8.360 nan 0.000 0.458 373 E N 0.325 120.543 120.200 0.030 0.000 2.110 373 E HA -0.171 4.179 4.350 -0.000 0.000 0.193 373 E C 2.239 178.870 176.600 0.052 0.000 0.988 373 E CA 0.935 57.357 56.400 0.036 0.000 0.804 373 E CB -0.022 29.708 29.700 0.050 0.000 0.745 373 E HN 0.321 nan 8.360 nan 0.000 0.458 374 L N 0.400 121.667 121.223 0.073 0.000 2.291 374 L HA -0.074 4.266 4.340 -0.000 0.000 0.214 374 L C 2.199 179.107 176.870 0.064 0.000 1.120 374 L CA 0.311 55.194 54.840 0.072 0.000 0.799 374 L CB -0.118 41.999 42.059 0.097 0.000 0.925 374 L HN 0.213 nan 8.230 nan 0.000 0.446 375 L N -0.372 120.875 121.223 0.041 0.000 2.551 375 L HA -0.009 4.330 4.340 -0.000 0.000 0.228 375 L C 2.407 179.288 176.870 0.018 0.000 1.153 375 L CA 0.554 55.405 54.840 0.019 0.000 0.851 375 L CB -0.565 41.471 42.059 -0.038 0.000 0.959 375 L HN 0.246 nan 8.230 nan 0.000 0.451 376 G N -0.933 107.880 108.800 0.022 0.000 2.430 376 G HA2 -0.103 3.857 3.960 -0.000 0.000 0.216 376 G HA3 -0.103 3.857 3.960 -0.000 0.000 0.216 376 G C 0.783 175.694 174.900 0.019 0.000 1.146 376 G CA 0.048 45.158 45.100 0.017 0.000 0.793 376 G HN 0.240 nan 8.290 nan 0.000 0.537 377 T N 1.900 116.469 114.554 0.025 0.000 2.902 377 T HA 0.115 4.465 4.350 -0.000 0.000 0.301 377 T C 0.811 175.524 174.700 0.022 0.000 1.012 377 T CA -0.022 62.090 62.100 0.020 0.000 1.151 377 T CB 1.243 70.122 68.868 0.019 0.000 0.946 377 T HN 0.018 nan 8.240 nan 0.000 0.542 378 D N 3.110 123.519 120.400 0.014 0.000 2.097 378 D HA -0.044 4.596 4.640 -0.000 0.000 0.195 378 D C 2.493 178.802 176.300 0.015 0.000 0.989 378 D CA 1.655 55.664 54.000 0.016 0.000 0.827 378 D CB -0.365 40.441 40.800 0.011 0.000 0.966 378 D HN 0.818 nan 8.370 nan 0.000 0.456 379 E N 0.642 120.844 120.200 0.002 0.000 2.049 379 E HA -0.193 4.157 4.350 -0.000 0.000 0.198 379 E C 2.353 178.950 176.600 -0.005 0.000 1.007 379 E CA 1.715 58.108 56.400 -0.010 0.000 0.809 379 E CB -1.065 28.615 29.700 -0.032 0.000 0.749 379 E HN 0.184 nan 8.360 nan 0.000 0.450 380 V N 1.871 121.785 119.914 -0.001 0.000 2.379 380 V HA -0.216 3.904 4.120 -0.000 0.000 0.245 380 V C 2.496 178.676 176.094 0.143 0.000 1.044 380 V CA 1.681 63.994 62.300 0.022 0.000 1.036 380 V CB -0.489 31.370 31.823 0.060 0.000 0.664 380 V HN 0.636 nan 8.190 nan 0.000 0.453 381 N N 0.750 119.515 118.700 0.109 0.000 2.104 381 N HA -0.229 4.511 4.740 -0.000 0.000 0.190 381 N C 2.098 177.655 175.510 0.079 0.000 1.024 381 N CA 1.771 54.879 53.050 0.097 0.000 0.853 381 N CB -0.185 38.328 38.487 0.044 0.000 1.008 381 N HN 0.422 nan 8.380 nan 0.000 0.424 382 R N -0.698 119.836 120.500 0.056 0.000 2.096 382 R HA -0.189 4.151 4.340 -0.000 0.000 0.235 382 R C 2.252 178.557 176.300 0.008 0.000 1.127 382 R CA 1.286 57.406 56.100 0.032 0.000 0.968 382 R CB -0.467 29.844 30.300 0.019 0.000 0.861 382 R HN 0.349 nan 8.270 nan 0.000 0.440 383 Y N 0.236 120.445 120.300 -0.150 0.000 2.049 383 Y HA -0.278 4.272 4.550 -0.000 0.000 0.277 383 Y C 1.720 177.430 175.900 -0.317 0.000 1.143 383 Y CA 2.156 60.085 58.100 -0.284 0.000 1.115 383 Y CB -0.545 37.644 38.460 -0.451 0.000 0.975 383 Y HN -0.015 nan 8.280 nan 0.000 0.487 384 F N -0.010 119.874 119.950 -0.109 0.000 2.216 384 F HA -0.188 4.339 4.527 -0.000 0.000 0.300 384 F C 2.501 178.138 175.800 -0.272 0.000 1.085 384 F CA 1.806 59.608 58.000 -0.330 0.000 1.326 384 F CB -1.169 37.464 39.000 -0.612 0.000 1.027 384 F HN 0.015 nan 8.300 nan 0.000 0.497 385 T N -0.558 113.994 114.554 -0.004 0.000 2.746 385 T HA -0.142 4.208 4.350 -0.000 0.000 0.267 385 T C 2.396 177.054 174.700 -0.071 0.000 1.039 385 T CA 1.478 63.594 62.100 0.026 0.000 1.142 385 T CB -0.987 67.942 68.868 0.102 0.000 0.866 385 T HN 0.443 nan 8.240 nan 0.000 0.444 386 G N 1.122 109.840 108.800 -0.137 0.000 2.418 386 G HA2 -0.201 3.759 3.960 -0.000 0.000 0.217 386 G HA3 -0.201 3.759 3.960 -0.000 0.000 0.217 386 G C 1.563 176.324 174.900 -0.232 0.000 1.158 386 G CA 0.893 45.880 45.100 -0.189 0.000 0.771 386 G HN 0.450 nan 8.290 nan 0.000 0.545 387 M N 0.142 119.562 119.600 -0.300 0.000 2.065 387 M HA -0.083 4.397 4.480 -0.000 0.000 0.259 387 M C 2.367 178.567 176.300 -0.166 0.000 1.069 387 M CA 1.605 56.741 55.300 -0.273 0.000 1.110 387 M CB -0.216 32.186 32.600 -0.330 0.000 1.328 387 M HN 0.114 nan 8.290 nan 0.000 0.405 388 I N 0.686 121.186 120.570 -0.117 0.000 2.113 388 I HA -0.235 3.935 4.170 -0.000 0.000 0.238 388 I C 2.684 178.654 176.117 -0.245 0.000 1.070 388 I CA 2.273 63.496 61.300 -0.129 0.000 1.332 388 I CB -2.091 35.852 38.000 -0.094 0.000 1.044 388 I HN 0.488 nan 8.210 nan 0.000 0.402 389 T N -1.482 112.894 114.554 -0.296 0.000 3.072 389 T HA 0.135 4.484 4.350 -0.000 0.000 0.266 389 T C 1.591 176.165 174.700 -0.210 0.000 1.127 389 T CA 0.987 62.888 62.100 -0.331 0.000 1.107 389 T CB -0.111 68.515 68.868 -0.402 0.000 0.910 389 T HN 0.607 nan 8.240 nan 0.000 0.513 390 G N 0.897 109.582 108.800 -0.192 0.000 2.195 390 G HA2 -0.340 3.620 3.960 -0.000 0.000 0.246 390 G HA3 -0.340 3.620 3.960 -0.000 0.000 0.246 390 G C 1.093 175.874 174.900 -0.199 0.000 0.984 390 G CA 0.779 45.773 45.100 -0.176 0.000 0.633 390 G HN 0.849 nan 8.290 nan 0.000 0.525 391 T N 0.107 114.538 114.554 -0.206 0.000 2.977 391 T HA -0.024 4.326 4.350 -0.000 0.000 0.271 391 T C 1.718 176.320 174.700 -0.164 0.000 1.105 391 T CA 1.837 63.823 62.100 -0.191 0.000 1.116 391 T CB -0.300 68.471 68.868 -0.162 0.000 0.878 391 T HN 0.624 nan 8.240 nan 0.000 0.509 392 D N 2.250 122.545 120.400 -0.174 0.000 2.349 392 D HA -0.022 4.618 4.640 -0.000 0.000 0.224 392 D C 0.885 177.090 176.300 -0.160 0.000 1.029 392 D CA -0.097 53.802 54.000 -0.169 0.000 0.879 392 D CB -0.854 39.821 40.800 -0.209 0.000 0.906 392 D HN 0.505 nan 8.370 nan 0.000 0.528 393 V N -1.415 118.400 119.914 -0.165 0.000 2.508 393 V HA 0.464 4.584 4.120 -0.000 0.000 0.281 393 V C 0.011 175.978 176.094 -0.211 0.000 1.041 393 V CA -0.717 61.465 62.300 -0.198 0.000 1.016 393 V CB 0.449 32.143 31.823 -0.214 0.000 0.984 393 V HN 0.150 nan 8.190 nan 0.000 0.478 394 R N 3.925 124.265 120.500 -0.266 0.000 2.548 394 R HA 0.469 4.809 4.340 -0.000 0.000 0.280 394 R C -1.729 174.432 176.300 -0.232 0.000 1.061 394 R CA -0.664 55.290 56.100 -0.243 0.000 0.915 394 R CB 1.851 32.093 30.300 -0.097 0.000 1.210 394 R HN 0.792 nan 8.270 nan 0.000 0.442 395 Y N 0.907 121.203 120.300 -0.007 0.000 2.316 395 Y HA 0.527 5.077 4.550 -0.000 0.000 0.324 395 Y C 0.586 176.520 175.900 0.058 0.000 1.267 395 Y CA -0.819 57.272 58.100 -0.016 0.000 1.311 395 Y CB 1.663 40.096 38.460 -0.044 0.000 1.267 395 Y HN 0.654 nan 8.280 nan 0.000 0.516 396 A N 1.552 124.520 122.820 0.246 0.000 3.030 396 A HA 0.588 4.908 4.320 -0.000 0.000 0.335 396 A C -0.814 176.894 177.584 0.208 0.000 1.089 396 A CA -0.507 51.644 52.037 0.191 0.000 0.807 396 A CB -0.494 18.579 19.000 0.122 0.000 1.099 396 A HN 0.652 nan 8.150 nan 0.000 0.474 397 T N 0.014 114.737 114.554 0.281 0.000 2.841 397 T HA 0.560 4.910 4.350 -0.000 0.000 0.283 397 T C -0.224 174.752 174.700 0.459 0.000 1.000 397 T CA -0.389 61.899 62.100 0.313 0.000 0.977 397 T CB 0.382 69.359 68.868 0.182 0.000 0.979 397 T HN 0.745 nan 8.240 nan 0.000 0.446 398 F N -0.442 119.495 119.950 -0.021 0.000 3.040 398 F HA -0.145 4.382 4.527 -0.000 0.000 0.298 398 F C 0.887 176.741 175.800 0.089 0.000 0.948 398 F CA -0.360 57.608 58.000 -0.053 0.000 1.022 398 F CB -2.397 36.450 39.000 -0.256 0.000 1.023 398 F HN 0.855 nan 8.300 nan 0.000 0.742 399 A N 0.122 123.080 122.820 0.230 0.000 2.363 399 A HA 0.725 5.045 4.320 -0.000 0.000 0.270 399 A C -1.395 176.263 177.584 0.123 0.000 1.121 399 A CA -1.007 51.141 52.037 0.185 0.000 0.800 399 A CB 0.262 19.348 19.000 0.143 0.000 1.052 399 A HN 0.118 nan 8.150 nan 0.000 0.493 400 P HA 0.705 nan 4.420 nan 0.000 0.276 400 P C -0.261 177.081 177.300 0.069 0.000 1.261 400 P CA -0.039 63.120 63.100 0.098 0.000 0.800 400 P CB 1.204 32.981 31.700 0.129 0.000 1.066 404 A N 1.273 124.127 122.820 0.056 0.000 1.897 404 A HA 0.740 5.060 4.320 -0.000 0.000 0.285 404 A C 0.147 177.777 177.584 0.076 0.000 1.261 404 A CA 0.394 52.472 52.037 0.068 0.000 0.936 404 A CB -0.887 18.165 19.000 0.086 0.000 1.240 404 A HN 2.408 nan 8.150 nan 0.000 0.434 405 R N 1.625 122.160 120.500 0.058 0.000 2.598 405 R HA 0.403 4.743 4.340 -0.000 0.000 0.266 405 R C -2.122 174.223 176.300 0.075 0.000 0.977 405 R CA 0.954 57.087 56.100 0.055 0.000 1.097 405 R CB -1.345 28.974 30.300 0.031 0.000 0.911 405 R HN 0.639 nan 8.270 nan 0.000 0.419 406 P HA 0.170 nan 4.420 nan 0.000 0.274 406 P C -0.303 177.051 177.300 0.089 0.000 1.256 406 P CA -0.608 62.558 63.100 0.111 0.000 0.795 406 P CB 0.372 32.146 31.700 0.123 0.000 1.038 407 H N 1.162 120.228 119.070 -0.008 0.000 2.671 407 H HA 0.080 4.636 4.556 -0.000 0.000 0.372 407 H C -1.492 173.841 175.328 0.009 0.000 1.227 407 H CA -1.308 54.724 56.048 -0.026 0.000 1.426 407 H CB 0.664 30.357 29.762 -0.115 0.000 1.480 407 H HN 0.187 nan 8.280 nan 0.000 0.611 408 P HA -0.070 nan 4.420 nan 0.000 0.231 408 P C 0.356 177.567 177.300 -0.147 0.000 1.158 408 P CA 1.027 63.991 63.100 -0.226 0.000 0.763 408 P CB -0.040 31.468 31.700 -0.319 0.000 0.805 409 W N -1.769 119.602 121.300 0.119 0.000 2.915 409 W HA 0.246 4.906 4.660 -0.000 0.000 0.276 409 W C -1.616 174.940 176.519 0.061 0.000 1.215 409 W CA -0.288 57.114 57.345 0.095 0.000 1.514 409 W CB -1.196 28.327 29.460 0.104 0.000 1.017 409 W HN -0.176 nan 8.180 nan 0.000 0.598 410 P HA 0.012 nan 4.420 nan 0.000 0.257 410 P C 0.865 178.285 177.300 0.200 0.000 1.162 410 P CA 2.638 65.867 63.100 0.214 0.000 0.762 410 P CB 0.122 31.944 31.700 0.203 0.000 0.753 411 G N 2.503 111.453 108.800 0.251 0.000 2.284 411 G HA2 -0.312 3.648 3.960 -0.000 0.000 0.247 411 G HA3 -0.312 3.648 3.960 -0.000 0.000 0.247 411 G C 0.546 175.602 174.900 0.259 0.000 1.012 411 G CA 0.080 45.344 45.100 0.274 0.000 0.618 411 G HN 0.702 nan 8.290 nan 0.000 0.521 412 R N -0.108 120.502 120.500 0.183 0.000 2.738 412 R HA 0.500 4.840 4.340 -0.000 0.000 0.268 412 R C -0.229 176.220 176.300 0.249 0.000 1.062 412 R CA -0.496 55.666 56.100 0.104 0.000 1.158 412 R CB 0.026 30.202 30.300 -0.208 0.000 1.046 412 R HN 0.184 nan 8.270 nan 0.000 0.493 413 F N 2.227 122.147 119.950 -0.049 0.000 2.404 413 F HA 0.424 4.951 4.527 -0.000 0.000 0.345 413 F C 0.083 175.865 175.800 -0.030 0.000 1.110 413 F CA -0.277 57.569 58.000 -0.256 0.000 1.130 413 F CB 1.597 40.311 39.000 -0.476 0.000 1.129 413 F HN 0.615 nan 8.300 nan 0.000 0.500 414 A N 3.982 126.386 122.820 -0.692 0.000 2.469 414 A HA 0.298 4.618 4.320 -0.000 0.000 0.245 414 A C 1.855 178.984 177.584 -0.758 0.000 1.221 414 A CA 0.477 52.233 52.037 -0.469 0.000 0.946 414 A CB -0.728 18.119 19.000 -0.255 0.000 1.049 414 A HN 0.926 nan 8.150 nan 0.000 0.529 415 G N -0.019 107.845 108.800 -1.560 0.000 2.586 415 G HA2 0.135 4.095 3.960 -0.000 0.000 0.215 415 G HA3 0.135 4.095 3.960 -0.000 0.000 0.215 415 G C 1.017 175.660 174.900 -0.429 0.000 1.128 415 G CA 1.105 45.635 45.100 -0.950 0.000 0.774 415 G HN 0.728 nan 8.290 nan 0.000 0.543 416 G N -0.258 108.319 108.800 -0.370 0.000 3.690 416 G HA2 0.467 4.427 3.960 -0.000 0.000 0.283 416 G HA3 0.467 4.427 3.960 -0.000 0.000 0.283 416 G C 0.330 175.184 174.900 -0.076 0.000 1.057 416 G CA -0.513 44.540 45.100 -0.078 0.000 0.821 416 G HN 0.292 nan 8.290 nan 0.000 0.526 417 L N 0.638 121.781 121.223 -0.132 0.000 2.421 417 L HA 0.549 4.889 4.340 -0.000 0.000 0.263 417 L C -0.194 176.623 176.870 -0.089 0.000 1.122 417 L CA -0.808 53.969 54.840 -0.104 0.000 0.804 417 L CB 1.834 43.801 42.059 -0.153 0.000 1.150 417 L HN -0.169 nan 8.230 nan 0.000 0.457 418 V N 2.569 122.439 119.914 -0.074 0.000 2.604 418 V HA 0.498 4.617 4.120 -0.000 0.000 0.305 418 V C 0.080 176.132 176.094 -0.070 0.000 1.043 418 V CA -0.582 61.680 62.300 -0.063 0.000 0.888 418 V CB 1.985 33.781 31.823 -0.045 0.000 0.995 418 V HN 0.537 nan 8.190 nan 0.000 0.429 419 L N 2.210 123.393 121.223 -0.067 0.000 2.341 419 L HA 0.803 5.143 4.340 -0.000 0.000 0.267 419 L C 0.803 177.642 176.870 -0.051 0.000 1.022 419 L CA -0.210 54.589 54.840 -0.068 0.000 0.844 419 L CB 2.145 44.158 42.059 -0.077 0.000 1.436 419 L HN 0.934 nan 8.230 nan 0.000 0.483 420 S N -1.669 114.002 115.700 -0.049 0.000 5.444 420 S HA 0.616 5.086 4.470 -0.000 0.000 0.141 420 S C 0.649 175.227 174.600 -0.036 0.000 1.258 420 S CA 0.691 58.868 58.200 -0.038 0.000 1.126 420 S CB 0.731 63.911 63.200 -0.034 0.000 2.053 420 S HN 0.928 nan 8.310 nan 0.000 0.692 421 R N 1.007 121.486 120.500 -0.034 0.000 3.891 421 R HA -0.102 4.238 4.340 -0.000 0.000 0.187 421 R C -2.508 173.777 176.300 -0.025 0.000 0.508 421 R CA 1.393 57.475 56.100 -0.031 0.000 0.932 421 R CB -3.772 26.508 30.300 -0.035 0.000 0.917 421 R HN 0.757 nan 8.270 nan 0.000 0.590 422 P HA 0.573 nan 4.420 nan 0.000 0.280 422 P C 0.783 178.072 177.300 -0.018 0.000 1.244 422 P CA 1.813 64.901 63.100 -0.019 0.000 0.784 422 P CB 1.307 32.996 31.700 -0.019 0.000 0.913 423 S N 1.592 117.282 115.700 -0.015 0.000 2.298 423 S HA -0.117 4.353 4.470 -0.000 0.000 0.240 423 S C 1.376 175.968 174.600 -0.014 0.000 1.197 423 S CA 1.984 60.176 58.200 -0.013 0.000 1.575 423 S CB -2.457 60.736 63.200 -0.013 0.000 2.016 423 S HN 1.412 nan 8.310 nan 0.000 0.604 424 G N -1.150 107.640 108.800 -0.017 0.000 2.137 424 G HA2 0.419 4.378 3.960 -0.000 0.000 0.237 424 G HA3 0.419 4.378 3.960 -0.000 0.000 0.237 424 G C 0.277 175.166 174.900 -0.018 0.000 1.002 424 G CA 1.386 46.475 45.100 -0.017 0.000 0.702 424 G HN 2.451 nan 8.290 nan 0.000 0.515 425 E N 0.554 120.743 120.200 -0.018 0.000 2.316 425 E HA 0.604 4.954 4.350 -0.000 0.000 0.275 425 E C -2.002 174.586 176.600 -0.021 0.000 1.029 425 E CA -1.246 55.144 56.400 -0.017 0.000 0.871 425 E CB -0.010 29.680 29.700 -0.016 0.000 1.022 425 E HN 0.302 nan 8.360 nan 0.000 0.418 426 P HA 0.234 nan 4.420 nan 0.000 0.271 426 P C -0.876 176.410 177.300 -0.024 0.000 1.233 426 P CA -0.237 62.849 63.100 -0.023 0.000 0.764 426 P CB 0.961 32.650 31.700 -0.019 0.000 0.825 427 V N 7.002 126.897 119.914 -0.031 0.000 2.340 427 V HA 0.254 4.374 4.120 -0.000 0.000 0.277 427 V C -2.262 173.807 176.094 -0.041 0.000 1.017 427 V CA -1.998 60.282 62.300 -0.033 0.000 0.820 427 V CB 1.573 33.373 31.823 -0.038 0.000 1.028 427 V HN 0.428 nan 8.190 nan 0.000 0.436 428 P HA 0.025 nan 4.420 nan 0.000 0.267 428 P C 0.965 178.234 177.300 -0.052 0.000 1.209 428 P CA 0.428 63.507 63.100 -0.034 0.000 0.763 428 P CB 1.254 32.951 31.700 -0.005 0.000 0.816 429 V N 4.217 124.083 119.914 -0.081 0.000 2.720 429 V HA -0.263 3.857 4.120 -0.000 0.000 0.256 429 V C 1.929 177.964 176.094 -0.100 0.000 1.082 429 V CA 2.512 64.747 62.300 -0.109 0.000 1.101 429 V CB -1.167 30.562 31.823 -0.158 0.000 0.693 429 V HN 0.607 nan 8.190 nan 0.000 0.479 430 A N -0.054 122.723 122.820 -0.072 0.000 1.948 430 A HA -0.215 4.105 4.320 -0.000 0.000 0.220 430 A C 2.265 179.831 177.584 -0.031 0.000 1.177 430 A CA 2.511 54.522 52.037 -0.043 0.000 0.636 430 A CB -0.980 18.028 19.000 0.013 0.000 0.815 430 A HN 0.868 nan 8.150 nan 0.000 0.449 431 E N -0.220 119.966 120.200 -0.024 0.000 2.274 431 E HA 0.113 4.463 4.350 -0.000 0.000 0.194 431 E C 1.766 178.349 176.600 -0.029 0.000 0.996 431 E CA 1.092 57.483 56.400 -0.015 0.000 0.840 431 E CB -0.738 28.957 29.700 -0.008 0.000 0.772 431 E HN 0.678 nan 8.360 nan 0.000 0.491 432 L N -0.753 120.440 121.223 -0.051 0.000 2.446 432 L HA 0.200 4.540 4.340 -0.000 0.000 0.219 432 L C 2.318 179.145 176.870 -0.072 0.000 1.116 432 L CA 0.295 55.097 54.840 -0.063 0.000 0.844 432 L CB 0.084 42.094 42.059 -0.082 0.000 0.970 432 L HN 0.229 nan 8.230 nan 0.000 0.457 433 L N -0.707 120.473 121.223 -0.073 0.000 2.558 433 L HA 0.044 4.384 4.340 -0.000 0.000 0.225 433 L C 2.408 179.254 176.870 -0.040 0.000 1.128 433 L CA 0.221 55.013 54.840 -0.079 0.000 0.868 433 L CB -0.200 41.801 42.059 -0.096 0.000 1.006 433 L HN 0.161 nan 8.230 nan 0.000 0.454 434 R N 0.076 120.565 120.500 -0.019 0.000 2.152 434 R HA -0.132 4.208 4.340 -0.000 0.000 0.232 434 R C 2.435 178.748 176.300 0.022 0.000 1.117 434 R CA 1.490 57.597 56.100 0.012 0.000 0.981 434 R CB -0.358 29.954 30.300 0.020 0.000 0.870 434 R HN 0.405 nan 8.270 nan 0.000 0.451 435 S N 0.389 116.090 115.700 0.001 0.000 2.537 435 S HA -0.026 4.444 4.470 -0.000 0.000 0.240 435 S C 1.311 175.922 174.600 0.019 0.000 0.981 435 S CA 0.568 58.771 58.200 0.005 0.000 0.948 435 S CB 0.026 63.213 63.200 -0.021 0.000 0.759 435 S HN 0.418 nan 8.310 nan 0.000 0.531 436 A N 0.057 122.887 122.820 0.016 0.000 2.860 436 A HA -0.207 4.113 4.320 -0.000 0.000 0.267 436 A C 0.381 177.980 177.584 0.025 0.000 1.421 436 A CA 1.159 53.222 52.037 0.043 0.000 0.831 436 A CB -2.241 16.826 19.000 0.111 0.000 1.041 436 A HN 0.717 nan 8.150 nan 0.000 0.623 437 R N -0.819 119.648 120.500 -0.054 0.000 2.637 437 R HA 0.568 4.908 4.340 -0.000 0.000 0.291 437 R C -2.943 173.225 176.300 -0.219 0.000 0.963 437 R CA -2.319 53.711 56.100 -0.118 0.000 0.901 437 R CB 1.099 31.322 30.300 -0.129 0.000 1.160 437 R HN 0.115 nan 8.270 nan 0.000 0.457 438 P HA -0.002 nan 4.420 nan 0.000 0.267 438 P C -0.917 176.170 177.300 -0.355 0.000 1.200 438 P CA 0.018 62.863 63.100 -0.425 0.000 0.772 438 P CB 0.505 31.716 31.700 -0.815 0.000 0.855 439 L N 2.590 123.641 121.223 -0.287 0.000 2.303 439 L HA 0.598 4.937 4.340 -0.000 0.000 0.266 439 L C -0.497 176.248 176.870 -0.208 0.000 1.011 439 L CA -0.501 54.202 54.840 -0.229 0.000 0.818 439 L CB 1.390 43.336 42.059 -0.188 0.000 1.326 439 L HN 0.187 nan 8.230 nan 0.000 0.435 440 L N 2.226 123.345 121.223 -0.174 0.000 2.427 440 L HA 0.528 4.868 4.340 -0.000 0.000 0.264 440 L C -1.338 175.463 176.870 -0.115 0.000 0.989 440 L CA -0.083 54.677 54.840 -0.134 0.000 0.865 440 L CB 0.863 42.840 42.059 -0.136 0.000 1.209 440 L HN 0.357 nan 8.230 nan 0.000 0.430 441 L N 3.984 125.133 121.223 -0.123 0.000 2.281 441 L HA 0.328 4.668 4.340 -0.000 0.000 0.285 441 L C 0.784 177.587 176.870 -0.111 0.000 1.074 441 L CA -0.423 54.339 54.840 -0.131 0.000 0.817 441 L CB 0.788 42.743 42.059 -0.173 0.000 1.168 441 L HN 0.545 nan 8.230 nan 0.000 0.434 442 D N 2.720 123.065 120.400 -0.092 0.000 2.277 442 D HA -0.039 4.601 4.640 -0.000 0.000 0.208 442 D C 1.776 178.025 176.300 -0.086 0.000 0.962 442 D CA 0.565 54.521 54.000 -0.073 0.000 0.865 442 D CB 0.371 41.138 40.800 -0.055 0.000 0.939 442 D HN 0.617 nan 8.370 nan 0.000 0.510 443 L N -1.134 120.026 121.223 -0.104 0.000 3.676 443 L HA -0.415 3.925 4.340 -0.000 0.000 0.053 443 L C 1.688 178.509 176.870 -0.081 0.000 4.206 443 L CA 1.687 56.460 54.840 -0.112 0.000 0.845 443 L CB -2.058 39.908 42.059 -0.154 0.000 3.418 443 L HN 0.158 nan 8.230 nan 0.000 0.773 444 A N -0.346 122.429 122.820 -0.075 0.000 2.529 444 A HA 0.464 4.784 4.320 -0.000 0.000 0.243 444 A C 0.724 178.283 177.584 -0.041 0.000 1.781 444 A CA 0.781 52.787 52.037 -0.052 0.000 0.877 444 A CB -0.657 18.317 19.000 -0.044 0.000 1.601 444 A HN 0.802 nan 8.150 nan 0.000 0.674 445 G N -0.821 107.962 108.800 -0.029 0.000 2.814 445 G HA2 0.533 4.493 3.960 -0.000 0.000 0.300 445 G HA3 0.533 4.493 3.960 -0.000 0.000 0.300 445 G C -0.584 174.308 174.900 -0.013 0.000 1.406 445 G CA -0.385 44.701 45.100 -0.022 0.000 1.041 445 G HN 0.526 nan 8.290 nan 0.000 0.532 446 R N 2.329 122.822 120.500 -0.012 0.000 2.576 446 R HA 0.452 4.792 4.340 -0.000 0.000 0.283 446 R C 0.988 177.289 176.300 0.001 0.000 1.493 446 R CA -0.281 55.820 56.100 0.001 0.000 1.170 446 R CB 1.106 31.413 30.300 0.010 0.000 1.189 446 R HN 0.520 nan 8.270 nan 0.000 0.542 447 A N 2.033 124.854 122.820 0.001 0.000 2.016 447 A HA -0.130 4.190 4.320 -0.000 0.000 0.217 447 A C 1.449 179.037 177.584 0.006 0.000 1.162 447 A CA 1.348 53.385 52.037 0.000 0.000 0.662 447 A CB -0.071 18.928 19.000 -0.001 0.000 0.812 447 A HN 0.798 nan 8.150 nan 0.000 0.450 448 D N 0.952 121.359 120.400 0.011 0.000 2.158 448 D HA -0.213 4.427 4.640 -0.000 0.000 0.197 448 D C 1.706 178.014 176.300 0.014 0.000 0.995 448 D CA 1.377 55.386 54.000 0.016 0.000 0.846 448 D CB -0.742 40.071 40.800 0.022 0.000 0.941 448 D HN 0.485 nan 8.370 nan 0.000 0.456 449 L N -0.358 120.873 121.223 0.013 0.000 2.095 449 L HA 0.024 4.364 4.340 -0.000 0.000 0.204 449 L C 2.924 179.785 176.870 -0.014 0.000 1.080 449 L CA 0.780 55.618 54.840 -0.002 0.000 0.759 449 L CB -0.329 41.743 42.059 0.022 0.000 0.914 449 L HN -0.077 nan 8.230 nan 0.000 0.439 450 R N 0.466 120.960 120.500 -0.009 0.000 2.094 450 R HA -0.198 4.142 4.340 -0.000 0.000 0.239 450 R C 2.144 178.450 176.300 0.011 0.000 1.137 450 R CA 1.735 57.829 56.100 -0.010 0.000 0.943 450 R CB -0.446 29.848 30.300 -0.011 0.000 0.850 450 R HN 0.434 nan 8.270 nan 0.000 0.433 451 E N 0.410 120.620 120.200 0.015 0.000 2.160 451 E HA -0.159 4.191 4.350 -0.000 0.000 0.195 451 E C 1.744 178.374 176.600 0.050 0.000 0.991 451 E CA 1.062 57.478 56.400 0.027 0.000 0.810 451 E CB -0.075 29.636 29.700 0.018 0.000 0.742 451 E HN 0.386 nan 8.360 nan 0.000 0.466 452 A N 0.660 123.509 122.820 0.048 0.000 2.235 452 A HA -0.024 4.296 4.320 -0.000 0.000 0.208 452 A C 1.650 179.335 177.584 0.168 0.000 1.172 452 A CA 0.801 52.885 52.037 0.078 0.000 0.786 452 A CB -0.006 19.012 19.000 0.029 0.000 0.804 452 A HN 0.081 nan 8.150 nan 0.000 0.479 453 T N -1.413 113.231 114.554 0.149 0.000 3.084 453 T HA 0.238 4.588 4.350 -0.000 0.000 0.270 453 T C 2.060 177.001 174.700 0.402 0.000 1.008 453 T CA 0.484 62.711 62.100 0.212 0.000 0.900 453 T CB 0.351 69.177 68.868 -0.070 0.000 1.084 453 T HN 0.572 nan 8.240 nan 0.000 0.538 454 R N 2.194 122.831 120.500 0.229 0.000 2.103 454 R HA -0.024 4.315 4.340 -0.000 0.000 0.242 454 R C -0.659 175.697 176.300 0.093 0.000 1.142 454 R CA 1.369 57.547 56.100 0.130 0.000 0.960 454 R CB -2.653 27.675 30.300 0.047 0.000 0.858 454 R HN 0.365 nan 8.270 nan 0.000 0.439 455 P HA 0.065 nan 4.420 nan 0.000 0.285 455 P C -1.231 175.554 177.300 -0.858 0.000 1.521 455 P CA 0.157 62.947 63.100 -0.517 0.000 0.792 455 P CB -0.584 30.666 31.700 -0.749 0.000 1.613 456 W N -2.139 119.107 121.300 -0.089 0.000 3.039 456 W HA 0.617 5.277 4.660 -0.000 0.000 0.354 456 W C -0.177 176.250 176.519 -0.153 0.000 1.206 456 W CA -0.804 56.460 57.345 -0.135 0.000 1.134 456 W CB 0.018 29.375 29.460 -0.170 0.000 1.493 456 W HN -0.236 nan 8.180 nan 0.000 0.591 457 S N 1.151 116.883 115.700 0.054 0.000 3.611 457 S HA -0.131 4.339 4.470 -0.000 0.000 0.843 457 S C -1.138 173.392 174.600 -0.117 0.000 0.399 457 S CA -0.150 58.009 58.200 -0.069 0.000 1.357 457 S CB -1.280 61.882 63.200 -0.065 0.000 0.758 457 S HN 0.716 nan 8.310 nan 0.000 1.083 458 D N 2.450 122.628 120.400 -0.369 0.000 2.892 458 D HA 0.329 4.969 4.640 -0.000 0.000 0.291 458 D C 0.533 176.606 176.300 -0.379 0.000 1.341 458 D CA 0.160 53.931 54.000 -0.381 0.000 0.844 458 D CB 0.561 41.026 40.800 -0.559 0.000 1.093 458 D HN 0.892 nan 8.370 nan 0.000 0.480 459 R N 0.466 120.773 120.500 -0.321 0.000 2.295 459 R HA 0.579 4.919 4.340 -0.000 0.000 0.324 459 R C -0.024 176.136 176.300 -0.235 0.000 0.968 459 R CA -0.603 55.252 56.100 -0.408 0.000 0.837 459 R CB 0.604 30.521 30.300 -0.639 0.000 1.133 459 R HN 0.140 nan 8.270 nan 0.000 0.450 460 V N -0.326 119.458 119.914 -0.215 0.000 2.617 460 V HA 0.792 4.912 4.120 -0.000 0.000 0.298 460 V C 0.047 176.056 176.094 -0.142 0.000 1.048 460 V CA -0.734 61.481 62.300 -0.142 0.000 0.964 460 V CB 2.213 33.965 31.823 -0.118 0.000 1.004 460 V HN 0.700 nan 8.190 nan 0.000 0.466 461 S N 3.342 118.981 115.700 -0.101 0.000 2.532 461 S HA 0.485 4.955 4.470 -0.000 0.000 0.318 461 S C -0.428 174.125 174.600 -0.078 0.000 1.083 461 S CA -0.378 57.766 58.200 -0.092 0.000 1.131 461 S CB 0.985 64.144 63.200 -0.069 0.000 0.973 461 S HN 1.052 nan 8.310 nan 0.000 0.468 462 V N 5.685 125.546 119.914 -0.088 0.000 2.439 462 V HA 0.629 4.749 4.120 -0.000 0.000 0.282 462 V C -0.077 175.972 176.094 -0.074 0.000 1.039 462 V CA -0.583 61.671 62.300 -0.077 0.000 0.913 462 V CB 1.322 33.095 31.823 -0.084 0.000 0.983 462 V HN 0.661 nan 8.190 nan 0.000 0.460 463 V N 5.453 125.331 119.914 -0.061 0.000 2.481 463 V HA 1.032 5.152 4.120 -0.000 0.000 0.286 463 V C 0.044 176.103 176.094 -0.058 0.000 1.042 463 V CA 0.504 62.770 62.300 -0.057 0.000 0.928 463 V CB 0.547 32.344 31.823 -0.044 0.000 0.986 463 V HN 1.512 nan 8.190 nan 0.000 0.462 464 A N 3.348 126.130 122.820 -0.064 0.000 4.834 464 A HA 1.024 5.344 4.320 -0.000 0.000 0.203 464 A C 0.264 177.811 177.584 -0.062 0.000 0.816 464 A CA -0.393 51.607 52.037 -0.063 0.000 0.730 464 A CB 0.764 19.720 19.000 -0.074 0.000 1.852 464 A HN 2.277 nan 8.150 nan 0.000 0.922 465 G N -0.953 107.808 108.800 -0.066 0.000 3.332 465 G HA2 0.646 4.606 3.960 -0.000 0.000 0.300 465 G HA3 0.646 4.606 3.960 -0.000 0.000 0.300 465 G C -0.838 174.023 174.900 -0.065 0.000 2.973 465 G CA 0.957 46.020 45.100 -0.062 0.000 0.684 465 G HN 1.221 nan 8.290 nan 0.000 0.317 466 E N 0.215 120.365 120.200 -0.084 0.000 2.158 466 E HA 0.767 5.117 4.350 -0.000 0.000 0.271 466 E C 0.847 177.402 176.600 -0.075 0.000 0.911 466 E CA -0.172 56.178 56.400 -0.084 0.000 0.767 466 E CB 1.758 31.389 29.700 -0.116 0.000 1.120 466 E HN 1.452 nan 8.360 nan 0.000 0.405 467 A N 1.737 124.528 122.820 -0.050 0.000 2.167 467 A HA 0.467 4.787 4.320 -0.000 0.000 0.214 467 A C 1.520 179.090 177.584 -0.024 0.000 1.151 467 A CA 1.843 53.860 52.037 -0.034 0.000 0.735 467 A CB -0.166 18.822 19.000 -0.020 0.000 0.802 467 A HN 1.441 nan 8.150 nan 0.000 0.467 468 T N -1.527 113.009 114.554 -0.030 0.000 3.066 468 T HA 0.644 4.994 4.350 -0.000 0.000 0.318 468 T C 0.107 174.793 174.700 -0.024 0.000 0.979 468 T CA 0.078 62.185 62.100 0.012 0.000 1.025 468 T CB 0.012 68.907 68.868 0.044 0.000 1.002 468 T HN 1.871 nan 8.240 nan 0.000 0.453 469 V N -0.309 119.550 119.914 -0.092 0.000 6.104 469 V HA 0.346 4.466 4.120 -0.000 0.000 0.260 469 V C -0.026 176.179 176.094 0.185 0.000 0.610 469 V CA 2.231 64.526 62.300 -0.009 0.000 0.645 469 V CB -2.161 29.617 31.823 -0.074 0.000 0.494 469 V HN 2.170 nan 8.190 nan 0.000 0.545 470 E N 4.016 124.469 120.200 0.423 0.000 2.646 470 E HA 0.674 5.024 4.350 -0.000 0.000 0.336 470 E C -2.073 174.665 176.600 0.230 0.000 1.027 470 E CA -0.488 56.072 56.400 0.268 0.000 0.765 470 E CB 0.998 30.790 29.700 0.153 0.000 1.545 470 E HN 1.128 nan 8.360 nan 0.000 0.382 471 P HA 0.325 nan 4.420 nan 0.000 0.270 471 P C -2.476 175.025 177.300 0.334 0.000 1.223 471 P CA -1.180 62.029 63.100 0.181 0.000 0.785 471 P CB 0.105 31.830 31.700 0.041 0.000 0.923 472 P HA 0.193 nan 4.420 nan 0.000 0.266 472 P C -0.955 176.442 177.300 0.162 0.000 1.186 472 P CA 0.748 63.923 63.100 0.126 0.000 0.767 472 P CB 0.249 31.993 31.700 0.073 0.000 0.820 473 A N 1.375 124.192 122.820 -0.004 0.000 2.540 473 A HA 0.576 4.896 4.320 -0.000 0.000 0.297 473 A C 0.382 177.850 177.584 -0.195 0.000 1.056 473 A CA -0.075 51.879 52.037 -0.139 0.000 0.700 473 A CB 0.808 19.560 19.000 -0.414 0.000 1.280 473 A HN 0.330 nan 8.150 nan 0.000 0.398 474 Q N 0.054 119.740 119.800 -0.190 0.000 2.392 474 Q HA 0.704 5.044 4.340 -0.000 0.000 0.219 474 Q C 0.718 176.628 176.000 -0.150 0.000 0.895 474 Q CA 1.652 57.372 55.803 -0.137 0.000 0.929 474 Q CB 0.302 28.994 28.738 -0.076 0.000 1.077 474 Q HN 2.591 nan 8.270 nan 0.000 0.532 475 A N -0.316 122.377 122.820 -0.211 0.000 2.515 475 A HA 0.784 5.104 4.320 -0.000 0.000 0.298 475 A C -1.454 175.988 177.584 -0.236 0.000 1.059 475 A CA -0.476 51.478 52.037 -0.138 0.000 0.698 475 A CB 1.384 20.425 19.000 0.069 0.000 1.289 475 A HN 0.425 nan 8.150 nan 0.000 0.404 476 L N 2.526 123.650 121.223 -0.164 0.000 2.471 476 L HA 0.314 4.654 4.340 -0.000 0.000 0.263 476 L C -1.066 175.760 176.870 -0.072 0.000 0.985 476 L CA -0.684 54.043 54.840 -0.188 0.000 0.868 476 L CB 1.706 43.574 42.059 -0.318 0.000 1.203 476 L HN 0.678 nan 8.230 nan 0.000 0.429 477 L N 5.197 126.456 121.223 0.061 0.000 2.407 477 L HA 0.281 4.621 4.340 -0.000 0.000 0.282 477 L C -0.357 176.453 176.870 -0.099 0.000 1.110 477 L CA 0.346 55.193 54.840 0.011 0.000 0.863 477 L CB 0.868 42.997 42.059 0.116 0.000 1.207 477 L HN 0.241 nan 8.230 nan 0.000 0.454 478 V N 6.509 126.331 119.914 -0.152 0.000 2.394 478 V HA 0.455 4.575 4.120 -0.000 0.000 0.282 478 V C 0.679 176.632 176.094 -0.236 0.000 1.031 478 V CA -0.770 61.419 62.300 -0.186 0.000 0.881 478 V CB 1.289 32.992 31.823 -0.200 0.000 0.982 478 V HN 0.686 nan 8.190 nan 0.000 0.451 479 R N 5.005 125.343 120.500 -0.270 0.000 2.738 479 R HA 0.186 4.526 4.340 -0.000 0.000 0.268 479 R C -1.584 174.396 176.300 -0.534 0.000 1.062 479 R CA -1.236 54.577 56.100 -0.479 0.000 1.158 479 R CB 0.165 30.177 30.300 -0.480 0.000 1.046 479 R HN 0.416 nan 8.270 nan 0.000 0.493 480 P HA -0.179 nan 4.420 nan 0.000 0.222 480 P C -0.065 177.019 177.300 -0.359 0.000 1.142 480 P CA 1.328 64.084 63.100 -0.573 0.000 0.788 480 P CB 0.096 31.406 31.700 -0.650 0.000 0.767 481 D N -3.124 117.073 120.400 -0.338 0.000 2.349 481 D HA 0.168 4.808 4.640 -0.000 0.000 0.214 481 D C 1.460 177.915 176.300 0.258 0.000 1.063 481 D CA 0.400 54.475 54.000 0.125 0.000 0.847 481 D CB -0.573 40.501 40.800 0.457 0.000 0.933 481 D HN 0.200 nan 8.370 nan 0.000 0.513 482 G N -0.657 108.174 108.800 0.052 0.000 2.254 482 G HA2 -0.272 3.688 3.960 -0.000 0.000 0.225 482 G HA3 -0.272 3.688 3.960 -0.000 0.000 0.225 482 G C -0.160 174.624 174.900 -0.193 0.000 1.003 482 G CA -0.196 44.838 45.100 -0.110 0.000 0.622 482 G HN 0.342 nan 8.290 nan 0.000 0.507 483 Y N 0.897 121.305 120.300 0.180 0.000 2.309 483 Y HA 0.498 5.048 4.550 -0.000 0.000 0.327 483 Y C 1.119 177.039 175.900 0.033 0.000 1.172 483 Y CA -0.556 57.665 58.100 0.201 0.000 1.280 483 Y CB 1.351 40.037 38.460 0.376 0.000 1.234 483 Y HN 0.084 nan 8.280 nan 0.000 0.512 484 V N 3.434 123.468 119.914 0.200 0.000 2.555 484 V HA 0.175 4.295 4.120 -0.000 0.000 0.286 484 V C 0.719 176.817 176.094 0.006 0.000 1.044 484 V CA 0.401 62.746 62.300 0.075 0.000 1.026 484 V CB 0.743 32.669 31.823 0.171 0.000 0.981 484 V HN 1.074 nan 8.190 nan 0.000 0.480 485 A N 4.256 126.941 122.820 -0.225 0.000 1.924 485 A HA 0.211 4.531 4.320 -0.000 0.000 0.211 485 A C 0.422 177.981 177.584 -0.042 0.000 1.198 485 A CA 0.321 52.002 52.037 -0.594 0.000 0.657 485 A CB 0.114 18.151 19.000 -1.605 0.000 0.852 485 A HN 0.846 nan 8.150 nan 0.000 0.454 486 W N -1.626 119.575 121.300 -0.165 0.000 3.127 486 W HA 0.604 5.263 4.660 -0.000 0.000 0.330 486 W C -0.977 175.516 176.519 -0.043 0.000 1.187 486 W CA -0.221 57.124 57.345 0.000 0.000 1.198 486 W CB 1.387 30.858 29.460 0.018 0.000 1.408 486 W HN 0.284 nan 8.180 nan 0.000 0.529 487 A N 2.588 124.796 122.820 -1.020 0.000 2.413 487 A HA 0.866 5.186 4.320 -0.000 0.000 0.307 487 A C -0.728 175.692 177.584 -1.940 0.000 1.087 487 A CA -0.562 50.802 52.037 -1.121 0.000 0.750 487 A CB 1.437 20.087 19.000 -0.584 0.000 1.296 487 A HN 1.191 nan 8.150 nan 0.000 0.423 488 G N 0.338 108.304 108.800 -1.391 0.000 2.487 488 G HA2 0.513 4.473 3.960 -0.000 0.000 0.314 488 G HA3 0.513 4.473 3.960 -0.000 0.000 0.314 488 G C -0.262 174.329 174.900 -0.514 0.000 1.267 488 G CA 0.077 44.623 45.100 -0.924 0.000 0.937 488 G HN 0.935 nan 8.290 nan 0.000 0.481 489 S N 2.559 118.086 115.700 -0.289 0.000 2.654 489 S HA 0.542 5.012 4.470 -0.000 0.000 0.283 489 S C -0.871 173.733 174.600 0.007 0.000 1.180 489 S CA -1.486 56.704 58.200 -0.018 0.000 1.021 489 S CB 1.579 64.874 63.200 0.159 0.000 1.018 489 S HN 0.228 nan 8.310 nan 0.000 0.532 490 P HA -0.207 nan 4.420 nan 0.000 0.221 490 P C 0.943 178.271 177.300 0.047 0.000 1.153 490 P CA 2.075 65.193 63.100 0.031 0.000 0.858 490 P CB -0.055 31.662 31.700 0.029 0.000 0.783 491 A N -1.169 121.685 122.820 0.058 0.000 2.123 491 A HA 0.283 4.602 4.320 -0.000 0.000 0.214 491 A C 1.304 178.945 177.584 0.096 0.000 1.152 491 A CA 0.560 52.639 52.037 0.069 0.000 0.728 491 A CB -0.919 18.122 19.000 0.068 0.000 0.814 491 A HN 0.245 nan 8.150 nan 0.000 0.464 492 A N 1.528 124.418 122.820 0.117 0.000 2.515 492 A HA 0.450 4.770 4.320 -0.000 0.000 0.263 492 A C 0.935 178.633 177.584 0.191 0.000 1.096 492 A CA 0.506 52.667 52.037 0.206 0.000 0.769 492 A CB -0.745 18.426 19.000 0.285 0.000 1.040 492 A HN 0.690 nan 8.150 nan 0.000 0.505 493 T N -0.143 114.508 114.554 0.161 0.000 2.816 493 T HA 0.525 4.875 4.350 -0.000 0.000 0.282 493 T C 1.390 176.140 174.700 0.082 0.000 0.993 493 T CA -0.085 62.078 62.100 0.105 0.000 0.994 493 T CB 1.253 70.168 68.868 0.079 0.000 1.025 493 T HN 1.073 nan 8.240 nan 0.000 0.529 494 A N 0.464 123.310 122.820 0.043 0.000 1.933 494 A HA -0.054 4.265 4.320 -0.000 0.000 0.218 494 A C 2.027 179.602 177.584 -0.016 0.000 1.175 494 A CA 1.888 53.927 52.037 0.003 0.000 0.628 494 A CB -1.254 17.754 19.000 0.013 0.000 0.814 494 A HN 0.959 nan 8.150 nan 0.000 0.444 495 D N -0.420 119.989 120.400 0.015 0.000 2.144 495 D HA -0.131 4.509 4.640 -0.000 0.000 0.199 495 D C 1.976 178.280 176.300 0.005 0.000 0.984 495 D CA 1.480 55.491 54.000 0.018 0.000 0.834 495 D CB -0.136 40.685 40.800 0.034 0.000 0.955 495 D HN 0.643 nan 8.370 nan 0.000 0.465 496 E N -0.487 119.728 120.200 0.025 0.000 2.031 496 E HA -0.177 4.173 4.350 -0.000 0.000 0.193 496 E C 2.039 178.544 176.600 -0.160 0.000 0.994 496 E CA 0.632 57.057 56.400 0.042 0.000 0.800 496 E CB -0.162 29.659 29.700 0.202 0.000 0.752 496 E HN 0.211 nan 8.360 nan 0.000 0.447 497 L N 1.327 122.326 121.223 -0.374 0.000 2.083 497 L HA -0.190 4.150 4.340 -0.000 0.000 0.209 497 L C 2.494 179.120 176.870 -0.407 0.000 1.083 497 L CA 2.368 56.720 54.840 -0.813 0.000 0.752 497 L CB -0.834 40.716 42.059 -0.847 0.000 0.899 497 L HN 0.001 nan 8.230 nan 0.000 0.433 498 R N 0.124 120.520 120.500 -0.174 0.000 2.094 498 R HA -0.113 4.227 4.340 -0.000 0.000 0.239 498 R C 2.342 178.653 176.300 0.019 0.000 1.137 498 R CA 2.264 58.354 56.100 -0.017 0.000 0.943 498 R CB -2.043 28.279 30.300 0.037 0.000 0.850 498 R HN 0.683 nan 8.270 nan 0.000 0.433 499 A N -0.364 122.455 122.820 -0.001 0.000 1.933 499 A HA -0.086 4.234 4.320 -0.000 0.000 0.218 499 A C 2.603 180.214 177.584 0.046 0.000 1.175 499 A CA 2.011 54.073 52.037 0.040 0.000 0.628 499 A CB -0.746 18.279 19.000 0.041 0.000 0.814 499 A HN 0.585 nan 8.150 nan 0.000 0.444 500 S N -0.714 114.961 115.700 -0.040 0.000 2.399 500 S HA -0.071 4.399 4.470 -0.000 0.000 0.231 500 S C 1.863 176.539 174.600 0.127 0.000 1.022 500 S CA 1.331 59.557 58.200 0.044 0.000 0.983 500 S CB -0.456 62.590 63.200 -0.258 0.000 0.803 500 S HN 0.497 nan 8.310 nan 0.000 0.480 501 L N 0.846 122.051 121.223 -0.030 0.000 2.044 501 L HA 0.032 4.372 4.340 -0.000 0.000 0.205 501 L C 2.893 179.862 176.870 0.166 0.000 1.075 501 L CA 1.169 55.984 54.840 -0.041 0.000 0.747 501 L CB -0.674 41.081 42.059 -0.506 0.000 0.903 501 L HN 0.344 nan 8.230 nan 0.000 0.435 502 A N -0.227 122.745 122.820 0.254 0.000 2.024 502 A HA -0.243 4.077 4.320 -0.000 0.000 0.220 502 A C 2.430 180.157 177.584 0.238 0.000 1.164 502 A CA 1.804 54.043 52.037 0.335 0.000 0.643 502 A CB -0.546 18.608 19.000 0.258 0.000 0.806 502 A HN 0.362 nan 8.150 nan 0.000 0.451 503 R N -2.227 118.378 120.500 0.174 0.000 2.090 503 R HA -0.056 4.284 4.340 -0.000 0.000 0.219 503 R C 1.866 178.246 176.300 0.134 0.000 1.100 503 R CA 0.909 57.082 56.100 0.122 0.000 0.991 503 R CB -0.209 30.132 30.300 0.068 0.000 0.893 503 R HN 0.655 nan 8.270 nan 0.000 0.443 504 W N -0.582 120.696 121.300 -0.037 0.000 2.453 504 W HA 0.005 4.665 4.660 -0.000 0.000 0.289 504 W C 0.579 176.752 176.519 -0.577 0.000 1.215 504 W CA 0.554 57.602 57.345 -0.495 0.000 1.297 504 W CB 0.264 29.088 29.460 -1.061 0.000 1.113 504 W HN 0.012 nan 8.180 nan 0.000 0.551 505 F N -0.138 120.095 119.950 0.471 0.000 2.815 505 F HA 0.521 5.048 4.527 -0.000 0.000 0.323 505 F C 1.002 177.118 175.800 0.527 0.000 1.151 505 F CA -0.205 58.097 58.000 0.504 0.000 1.191 505 F CB -0.144 39.002 39.000 0.244 0.000 1.069 505 F HN -0.078 nan 8.300 nan 0.000 0.514 506 G N 1.256 110.375 108.800 0.532 0.000 2.877 506 G HA2 -0.198 3.762 3.960 -0.000 0.000 0.279 506 G HA3 -0.198 3.762 3.960 -0.000 0.000 0.279 506 G C -2.781 172.396 174.900 0.461 0.000 1.431 506 G CA -1.450 43.912 45.100 0.437 0.000 0.883 506 G HN 0.053 nan 8.290 nan 0.000 0.547 507 P HA 0.225 nan 4.420 nan 0.000 0.267 507 P C -1.784 175.492 177.300 -0.040 0.000 1.201 507 P CA -0.353 62.835 63.100 0.146 0.000 0.775 507 P CB 0.003 31.752 31.700 0.082 0.000 0.854 508 P HA 0.252 nan 4.420 nan 0.000 0.286 508 P C -0.663 176.354 177.300 -0.472 0.000 1.293 508 P CA -0.368 62.214 63.100 -0.864 0.000 0.770 508 P CB 0.349 31.606 31.700 -0.737 0.000 1.206 509 A N 0.625 123.147 122.820 -0.498 0.000 2.257 509 A HA 0.417 4.736 4.320 -0.000 0.000 0.289 509 A C 0.364 177.834 177.584 -0.190 0.000 1.095 509 A CA -0.536 51.337 52.037 -0.273 0.000 0.836 509 A CB -0.210 18.640 19.000 -0.250 0.000 1.111 509 A HN 0.671 nan 8.150 nan 0.000 0.497 510 N N 0.000 118.627 118.700 -0.121 0.000 1.763 510 N HA 0.000 4.740 4.740 -0.000 0.000 0.220 510 N CA 0.000 52.999 53.050 -0.085 0.000 0.885 510 N CB 0.000 38.453 38.487 -0.056 0.000 1.341 510 N HN 0.000 nan 8.380 nan 0.000 0.667