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 3kt4_1_A DATA FIRST_RESID 22 DATA SEQUENCE EEDKIKGXFN PKIWDKTFQD GLKKEIEDSQ PYNWGTIHEL VNDDLLRAVR DATA SEQUENCE KEIETEIHFT KKETDIYRVN QSGXXXXXSG LDWDDLSRLP NLFKLRQILY DATA SEQUENCE SKQYRDFFGY VTKAGKLSGS KTDXSINTYT KGCHLLTHDD VIGSRRISFI DATA SEQUENCE LYLPDPDRKW KSHYGGGLRL FPSILPNVPH SDPSAKLVPQ FNQIAFFKVL DATA SEQUENCE PGFSFHDVEE VKVDKHRLSI QGWYHIPQVG EEGYIPGEEE AWVRNNTSTL DATA SEQUENCE AQIESNVLED FEFPKDERNI LSFHEVKHFE KXLKXXXXXX XXXXXXXXXX DATA SEQUENCE XXXXXXVKLS EAEFTYLSQY ISPEHLSSKG IEKLQKQFVE NSSLQIESFL DATA SEQUENCE NDDKSELLKK VIKQKELEQE CPYHSKDVKA PWKTAIPPHK ARYLYIDGKE DATA SEQUENCE YRNFQTEADI LEALNNNDLP NFQFTKDAIK IISDASGNSR ENNFDAELAL DATA SEQUENCE IDLAVFHKST IFKKYLALLT SLCPVSEQIL IRRFRPGXDF TLATKCRFNE DATA SEQUENCE LLKSNPDIID AVLEGTLCLT PSAGWESGEL GGYELYXXDX XXXXXXXXXX DATA SEQUENCE XXXXXXXXXX XXXXDSVLIN DPPAWNTFNL VLRDESVLEF VKYVSWSAKS DATA SEQUENCE SRWDVKXKWD VKSCD 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 22 E HA 0.000 nan 4.350 nan 0.000 0.291 22 E C 0.000 176.576 176.600 -0.040 0.000 1.382 22 E CA 0.000 56.392 56.400 -0.014 0.000 0.976 22 E CB 0.000 29.691 29.700 -0.015 0.000 0.812 23 E N 1.642 121.807 120.200 -0.058 0.000 3.729 23 E HA -0.377 3.973 4.350 -0.001 0.000 0.365 23 E C 0.869 177.374 176.600 -0.159 0.000 1.394 23 E CA 2.630 58.961 56.400 -0.114 0.000 1.734 23 E CB -1.007 28.632 29.700 -0.103 0.000 1.570 23 E HN 0.841 nan 8.360 nan 0.000 0.306 24 D N 0.398 120.720 120.400 -0.130 0.000 2.144 24 D HA -0.106 4.534 4.640 -0.001 0.000 0.200 24 D C 2.025 178.269 176.300 -0.094 0.000 0.978 24 D CA 1.546 55.467 54.000 -0.132 0.000 0.833 24 D CB -0.230 40.515 40.800 -0.092 0.000 0.961 24 D HN 0.181 nan 8.370 nan 0.000 0.470 25 K N 0.794 121.158 120.400 -0.060 0.000 2.148 25 K HA -0.037 4.283 4.320 -0.001 0.000 0.204 25 K C 2.066 178.651 176.600 -0.026 0.000 1.050 25 K CA 0.659 56.925 56.287 -0.034 0.000 0.942 25 K CB -0.132 32.357 32.500 -0.019 0.000 0.724 25 K HN 0.082 nan 8.250 nan 0.000 0.446 26 I N 0.351 120.904 120.570 -0.027 0.000 2.333 26 I HA -0.186 3.983 4.170 -0.001 0.000 0.246 26 I C 1.873 178.052 176.117 0.103 0.000 1.106 26 I CA 1.021 62.337 61.300 0.027 0.000 1.411 26 I CB -0.049 37.985 38.000 0.057 0.000 1.082 26 I HN 0.094 nan 8.210 nan 0.000 0.420 27 K N 0.958 121.314 120.400 -0.072 0.000 2.209 27 K HA -0.034 4.286 4.320 -0.001 0.000 0.204 27 K C 1.247 177.972 176.600 0.209 0.000 1.048 27 K CA 0.706 56.894 56.287 -0.164 0.000 0.940 27 K CB -0.371 31.533 32.500 -0.994 0.000 0.729 27 K HN 0.361 nan 8.250 nan 0.000 0.451 31 N N 3.783 122.548 118.700 0.109 0.000 2.365 31 N HA 0.070 4.809 4.740 -0.001 0.000 0.265 31 N C -1.647 173.797 175.510 -0.111 0.000 1.288 31 N CA -0.858 52.170 53.050 -0.037 0.000 0.869 31 N CB 0.961 39.370 38.487 -0.129 0.000 1.071 31 N HN 0.161 nan 8.380 nan 0.000 0.480 32 P HA -0.244 nan 4.420 nan 0.000 0.221 32 P C 0.719 177.935 177.300 -0.139 0.000 1.145 32 P CA 1.328 64.465 63.100 0.062 0.000 0.795 32 P CB 0.019 31.762 31.700 0.071 0.000 0.775 33 K N 1.381 121.588 120.400 -0.321 0.000 2.103 33 K HA -0.151 4.168 4.320 -0.001 0.000 0.207 33 K C 2.202 178.307 176.600 -0.825 0.000 1.048 33 K CA 1.770 57.733 56.287 -0.540 0.000 0.930 33 K CB -1.290 30.784 32.500 -0.710 0.000 0.716 33 K HN 0.260 nan 8.250 nan 0.000 0.444 34 I N -2.397 117.560 120.570 -1.022 0.000 2.756 34 I HA -0.050 4.120 4.170 -0.001 0.000 0.262 34 I C 1.031 176.510 176.117 -1.065 0.000 1.225 34 I CA 0.626 61.184 61.300 -1.238 0.000 1.472 34 I CB -0.371 36.638 38.000 -1.652 0.000 1.094 34 I HN 0.163 nan 8.210 nan 0.000 0.454 35 W N 1.371 122.492 121.300 -0.298 0.000 3.197 35 W HA 0.202 4.862 4.660 -0.001 0.000 0.274 35 W C 0.531 177.013 176.519 -0.063 0.000 1.297 35 W CA -0.720 56.525 57.345 -0.167 0.000 1.662 35 W CB -0.181 29.203 29.460 -0.126 0.000 1.106 35 W HN 0.088 nan 8.180 nan 0.000 0.663 36 D N 1.055 121.508 120.400 0.087 0.000 2.317 36 D HA 0.021 4.661 4.640 -0.001 0.000 0.252 36 D C 1.471 177.874 176.300 0.171 0.000 1.174 36 D CA 0.257 54.329 54.000 0.120 0.000 0.866 36 D CB 1.212 42.065 40.800 0.089 0.000 1.127 36 D HN -0.250 nan 8.370 nan 0.000 0.467 37 K N 1.929 122.405 120.400 0.127 0.000 2.063 37 K HA -0.156 4.164 4.320 -0.001 0.000 0.208 37 K C 1.520 178.194 176.600 0.123 0.000 1.048 37 K CA 1.947 58.299 56.287 0.108 0.000 0.928 37 K CB -0.348 32.185 32.500 0.054 0.000 0.713 37 K HN 0.503 nan 8.250 nan 0.000 0.442 38 T N 0.372 114.995 114.554 0.115 0.000 2.746 38 T HA -0.132 4.217 4.350 -0.001 0.000 0.267 38 T C 1.484 176.255 174.700 0.120 0.000 1.039 38 T CA 1.433 63.592 62.100 0.099 0.000 1.142 38 T CB -0.510 68.409 68.868 0.085 0.000 0.866 38 T HN 0.316 nan 8.240 nan 0.000 0.444 39 F N 2.007 121.978 119.950 0.036 0.000 2.095 39 F HA -0.161 4.366 4.527 -0.001 0.000 0.298 39 F C 2.553 178.401 175.800 0.079 0.000 1.104 39 F CA 1.445 59.467 58.000 0.037 0.000 1.232 39 F CB -0.441 38.562 39.000 0.006 0.000 0.987 39 F HN 0.121 nan 8.300 nan 0.000 0.475 40 Q N -0.024 119.906 119.800 0.217 0.000 2.061 40 Q HA -0.233 4.106 4.340 -0.001 0.000 0.204 40 Q C 1.868 177.931 176.000 0.104 0.000 0.984 40 Q CA 1.859 57.802 55.803 0.233 0.000 0.846 40 Q CB -0.392 28.571 28.738 0.374 0.000 0.902 40 Q HN 0.441 nan 8.270 nan 0.000 0.421 41 D N -0.154 120.311 120.400 0.108 0.000 2.117 41 D HA -0.102 4.537 4.640 -0.001 0.000 0.198 41 D C 1.922 178.177 176.300 -0.076 0.000 0.982 41 D CA 1.395 55.429 54.000 0.057 0.000 0.828 41 D CB -0.616 40.225 40.800 0.070 0.000 0.967 41 D HN 0.377 nan 8.370 nan 0.000 0.464 42 G N 1.021 109.749 108.800 -0.119 0.000 2.440 42 G HA2 -0.242 3.718 3.960 -0.001 0.000 0.218 42 G HA3 -0.242 3.718 3.960 -0.001 0.000 0.218 42 G C 1.608 176.347 174.900 -0.268 0.000 1.154 42 G CA 0.761 45.754 45.100 -0.180 0.000 0.767 42 G HN 0.256 nan 8.290 nan 0.000 0.552 43 L N 0.513 121.503 121.223 -0.389 0.000 2.056 43 L HA 0.167 4.507 4.340 -0.001 0.000 0.207 43 L C 2.614 179.307 176.870 -0.294 0.000 1.078 43 L CA 2.276 56.882 54.840 -0.390 0.000 0.749 43 L CB -0.537 41.232 42.059 -0.484 0.000 0.901 43 L HN 0.205 nan 8.230 nan 0.000 0.433 44 K N -0.355 119.876 120.400 -0.283 0.000 2.063 44 K HA -0.286 4.033 4.320 -0.001 0.000 0.208 44 K C 2.290 178.732 176.600 -0.263 0.000 1.048 44 K CA 1.926 58.014 56.287 -0.330 0.000 0.928 44 K CB -0.082 32.154 32.500 -0.439 0.000 0.713 44 K HN 0.284 nan 8.250 nan 0.000 0.442 45 K N 1.112 121.385 120.400 -0.212 0.000 2.002 45 K HA -0.221 4.098 4.320 -0.001 0.000 0.209 45 K C 2.002 178.488 176.600 -0.189 0.000 1.048 45 K CA 1.987 58.170 56.287 -0.173 0.000 0.930 45 K CB -0.104 32.315 32.500 -0.135 0.000 0.714 45 K HN 0.203 nan 8.250 nan 0.000 0.438 46 E N 0.336 120.406 120.200 -0.217 0.000 2.085 46 E HA -0.219 4.131 4.350 -0.001 0.000 0.194 46 E C 1.913 178.331 176.600 -0.303 0.000 0.994 46 E CA 1.724 57.976 56.400 -0.248 0.000 0.801 46 E CB -0.129 29.411 29.700 -0.267 0.000 0.743 46 E HN 0.414 nan 8.360 nan 0.000 0.453 47 I N 0.690 121.071 120.570 -0.315 0.000 2.286 47 I HA -0.223 3.947 4.170 -0.001 0.000 0.248 47 I C 2.472 178.447 176.117 -0.237 0.000 1.115 47 I CA 1.185 62.287 61.300 -0.330 0.000 1.392 47 I CB -0.195 37.632 38.000 -0.290 0.000 1.065 47 I HN 0.203 nan 8.210 nan 0.000 0.418 48 E N 0.546 120.624 120.200 -0.204 0.000 2.150 48 E HA -0.214 4.136 4.350 -0.001 0.000 0.193 48 E C 1.039 177.560 176.600 -0.131 0.000 0.985 48 E CA 1.038 57.345 56.400 -0.154 0.000 0.814 48 E CB 0.202 29.812 29.700 -0.150 0.000 0.752 48 E HN 0.403 nan 8.360 nan 0.000 0.466 49 D N -0.108 120.202 120.400 -0.150 0.000 2.349 49 D HA -0.008 4.631 4.640 -0.001 0.000 0.214 49 D C 0.289 176.512 176.300 -0.128 0.000 1.063 49 D CA 0.177 54.102 54.000 -0.124 0.000 0.847 49 D CB 0.234 40.961 40.800 -0.123 0.000 0.933 49 D HN 0.058 nan 8.370 nan 0.000 0.513 50 S N 0.706 116.300 115.700 -0.178 0.000 2.593 50 S HA 0.337 4.806 4.470 -0.001 0.000 0.269 50 S C 0.117 174.706 174.600 -0.019 0.000 1.334 50 S CA -0.617 57.476 58.200 -0.179 0.000 1.015 50 S CB 1.290 64.212 63.200 -0.462 0.000 0.912 50 S HN 0.062 nan 8.310 nan 0.000 0.541 51 Q N -0.125 119.725 119.800 0.082 0.000 2.451 51 Q HA 0.629 4.969 4.340 -0.001 0.000 0.281 51 Q C -2.740 173.309 176.000 0.082 0.000 1.099 51 Q CA -1.925 53.922 55.803 0.074 0.000 0.806 51 Q CB 1.090 29.847 28.738 0.032 0.000 1.419 51 Q HN 0.378 nan 8.270 nan 0.000 0.427 52 P HA 0.084 nan 4.420 nan 0.000 0.245 52 P C -0.998 176.367 177.300 0.108 0.000 1.203 52 P CA 0.680 63.787 63.100 0.011 0.000 0.792 52 P CB 0.075 31.803 31.700 0.047 0.000 0.997 53 Y N -2.864 117.477 120.300 0.069 0.000 2.655 53 Y HA 0.529 5.079 4.550 -0.001 0.000 0.336 53 Y C -0.391 175.584 175.900 0.124 0.000 1.154 53 Y CA -1.784 56.338 58.100 0.036 0.000 1.055 53 Y CB -0.254 38.206 38.460 -0.000 0.000 1.295 53 Y HN -0.377 nan 8.280 nan 0.000 0.465 54 N N 3.278 122.137 118.700 0.265 0.000 2.434 54 N HA 0.040 4.780 4.740 -0.001 0.000 0.268 54 N C -1.031 174.632 175.510 0.255 0.000 1.256 54 N CA 0.336 53.477 53.050 0.150 0.000 0.914 54 N CB 0.158 38.681 38.487 0.059 0.000 1.088 54 N HN 0.795 nan 8.380 nan 0.000 0.478 55 W N 0.570 121.777 121.300 -0.156 0.000 3.062 55 W HA 0.760 5.420 4.660 -0.001 0.000 0.336 55 W C -0.729 175.554 176.519 -0.393 0.000 1.224 55 W CA -1.251 55.977 57.345 -0.194 0.000 1.159 55 W CB 0.711 30.062 29.460 -0.182 0.000 1.454 55 W HN 0.361 nan 8.180 nan 0.000 0.569 56 G N 0.104 108.431 108.800 -0.790 0.000 2.642 56 G HA2 0.563 4.523 3.960 -0.001 0.000 0.293 56 G HA3 0.563 4.523 3.960 -0.001 0.000 0.293 56 G C -1.859 172.330 174.900 -1.186 0.000 1.341 56 G CA -0.717 43.651 45.100 -1.220 0.000 0.916 56 G HN 0.585 nan 8.290 nan 0.000 0.474 57 T N -0.358 113.817 114.554 -0.632 0.000 2.933 57 T HA 0.644 4.993 4.350 -0.001 0.000 0.305 57 T C -1.312 173.411 174.700 0.037 0.000 1.092 57 T CA -0.422 61.569 62.100 -0.182 0.000 1.008 57 T CB 1.090 69.869 68.868 -0.149 0.000 1.102 57 T HN 0.414 nan 8.240 nan 0.000 0.469 58 I N 4.828 125.517 120.570 0.197 0.000 2.447 58 I HA 0.386 4.555 4.170 -0.001 0.000 0.287 58 I C 0.042 176.174 176.117 0.026 0.000 1.023 58 I CA -1.010 60.401 61.300 0.184 0.000 1.083 58 I CB 1.577 39.800 38.000 0.371 0.000 1.245 58 I HN 0.596 nan 8.210 nan 0.000 0.434 59 H N 5.807 124.980 119.070 0.171 0.000 2.683 59 H HA 0.183 4.739 4.556 -0.001 0.000 0.339 59 H C -0.077 175.300 175.328 0.082 0.000 1.081 59 H CA -0.068 56.050 56.048 0.117 0.000 1.432 59 H CB 0.826 30.647 29.762 0.099 0.000 1.462 59 H HN 0.611 nan 8.280 nan 0.000 0.557 60 E N 0.927 121.227 120.200 0.166 0.000 2.271 60 E HA -0.230 4.120 4.350 -0.001 0.000 0.223 60 E C 0.708 177.337 176.600 0.048 0.000 1.223 60 E CA 0.020 56.474 56.400 0.091 0.000 0.704 60 E CB -0.871 28.891 29.700 0.103 0.000 1.194 60 E HN 0.443 nan 8.360 nan 0.000 0.375 61 L N -0.437 120.811 121.223 0.042 0.000 1.988 61 L HA -0.034 4.306 4.340 -0.001 0.000 0.207 61 L C 0.885 177.814 176.870 0.099 0.000 1.071 61 L CA 1.682 56.561 54.840 0.066 0.000 0.744 61 L CB 0.233 42.343 42.059 0.084 0.000 0.893 61 L HN 0.144 nan 8.230 nan 0.000 0.433 62 V N 0.550 120.468 119.914 0.007 0.000 2.904 62 V HA 0.141 4.260 4.120 -0.001 0.000 0.305 62 V C 0.200 176.258 176.094 -0.060 0.000 1.067 62 V CA -0.733 61.514 62.300 -0.090 0.000 1.044 62 V CB 0.932 32.641 31.823 -0.190 0.000 1.050 62 V HN 0.481 nan 8.190 nan 0.000 0.475 63 N N 1.828 120.474 118.700 -0.090 0.000 2.294 63 N HA -0.106 4.633 4.740 -0.001 0.000 0.263 63 N C 0.836 176.353 175.510 0.012 0.000 1.281 63 N CA 0.346 53.377 53.050 -0.031 0.000 0.846 63 N CB 0.383 38.837 38.487 -0.055 0.000 1.061 63 N HN 0.778 nan 8.380 nan 0.000 0.478 64 D N 2.669 123.107 120.400 0.063 0.000 2.103 64 D HA -0.210 4.429 4.640 -0.001 0.000 0.190 64 D C 0.751 177.130 176.300 0.132 0.000 0.997 64 D CA 1.559 55.643 54.000 0.140 0.000 0.833 64 D CB 0.009 40.894 40.800 0.142 0.000 0.961 64 D HN 0.612 nan 8.370 nan 0.000 0.447 65 D N -0.368 120.076 120.400 0.075 0.000 2.116 65 D HA -0.171 4.469 4.640 -0.001 0.000 0.193 65 D C 2.155 178.488 176.300 0.056 0.000 0.998 65 D CA 0.647 54.682 54.000 0.058 0.000 0.836 65 D CB -0.596 40.223 40.800 0.032 0.000 0.951 65 D HN 0.228 nan 8.370 nan 0.000 0.449 66 L N 0.409 121.648 121.223 0.027 0.000 2.042 66 L HA -0.153 4.187 4.340 -0.001 0.000 0.210 66 L C 2.148 179.042 176.870 0.039 0.000 1.076 66 L CA 1.449 56.294 54.840 0.009 0.000 0.749 66 L CB -0.635 41.394 42.059 -0.050 0.000 0.893 66 L HN 0.008 nan 8.230 nan 0.000 0.432 67 L N -0.749 120.514 121.223 0.066 0.000 2.109 67 L HA -0.090 4.249 4.340 -0.001 0.000 0.207 67 L C 2.698 179.729 176.870 0.268 0.000 1.086 67 L CA 1.407 56.316 54.840 0.116 0.000 0.760 67 L CB -0.476 41.592 42.059 0.015 0.000 0.910 67 L HN 0.209 nan 8.230 nan 0.000 0.437 68 R N -0.924 119.745 120.500 0.282 0.000 2.083 68 R HA -0.164 4.175 4.340 -0.001 0.000 0.237 68 R C 2.269 178.638 176.300 0.115 0.000 1.137 68 R CA 1.361 57.573 56.100 0.185 0.000 0.951 68 R CB -0.636 29.714 30.300 0.085 0.000 0.851 68 R HN 0.484 nan 8.270 nan 0.000 0.434 69 A N 0.654 123.527 122.820 0.088 0.000 1.865 69 A HA -0.168 4.151 4.320 -0.001 0.000 0.217 69 A C 2.354 179.982 177.584 0.074 0.000 1.191 69 A CA 1.840 53.915 52.037 0.064 0.000 0.623 69 A CB -0.811 18.216 19.000 0.046 0.000 0.826 69 A HN 0.144 nan 8.150 nan 0.000 0.444 70 V N 0.079 120.044 119.914 0.084 0.000 2.324 70 V HA -0.313 3.807 4.120 -0.001 0.000 0.250 70 V C 2.662 178.823 176.094 0.111 0.000 1.060 70 V CA 2.471 64.825 62.300 0.089 0.000 1.042 70 V CB -0.886 30.985 31.823 0.080 0.000 0.650 70 V HN 0.657 nan 8.190 nan 0.000 0.450 71 R N -0.138 120.449 120.500 0.146 0.000 2.096 71 R HA -0.161 4.179 4.340 -0.001 0.000 0.235 71 R C 2.441 178.808 176.300 0.112 0.000 1.127 71 R CA 1.261 57.454 56.100 0.156 0.000 0.968 71 R CB -0.087 30.339 30.300 0.210 0.000 0.861 71 R HN 0.348 nan 8.270 nan 0.000 0.440 72 K N 0.796 121.248 120.400 0.085 0.000 2.057 72 K HA -0.137 4.183 4.320 -0.001 0.000 0.206 72 K C 1.926 178.561 176.600 0.058 0.000 1.050 72 K CA 1.510 57.833 56.287 0.060 0.000 0.935 72 K CB -0.211 32.315 32.500 0.043 0.000 0.715 72 K HN 0.395 nan 8.250 nan 0.000 0.439 73 E N 0.475 120.709 120.200 0.057 0.000 2.085 73 E HA -0.149 4.201 4.350 -0.001 0.000 0.194 73 E C 2.149 178.778 176.600 0.049 0.000 0.994 73 E CA 1.021 57.447 56.400 0.043 0.000 0.801 73 E CB -0.178 29.545 29.700 0.038 0.000 0.743 73 E HN 0.255 nan 8.360 nan 0.000 0.453 74 I N 1.245 121.864 120.570 0.082 0.000 2.286 74 I HA -0.218 3.951 4.170 -0.001 0.000 0.245 74 I C 2.200 178.407 176.117 0.149 0.000 1.104 74 I CA 1.008 62.379 61.300 0.118 0.000 1.397 74 I CB -0.214 37.899 38.000 0.187 0.000 1.072 74 I HN 0.053 nan 8.210 nan 0.000 0.417 75 E N 0.103 120.386 120.200 0.140 0.000 2.204 75 E HA -0.167 4.183 4.350 -0.001 0.000 0.195 75 E C 1.909 178.565 176.600 0.092 0.000 0.990 75 E CA 1.507 57.987 56.400 0.133 0.000 0.821 75 E CB -0.117 29.639 29.700 0.093 0.000 0.750 75 E HN 0.466 nan 8.360 nan 0.000 0.477 76 T N 0.296 114.886 114.554 0.061 0.000 3.039 76 T HA 0.016 4.365 4.350 -0.001 0.000 0.250 76 T C 1.377 176.087 174.700 0.017 0.000 1.052 76 T CA 0.457 62.578 62.100 0.036 0.000 1.125 76 T CB 0.294 69.177 68.868 0.026 0.000 0.908 76 T HN -0.009 nan 8.240 nan 0.000 0.473 77 E N 0.203 120.404 120.200 0.002 0.000 2.473 77 E HA 0.318 4.668 4.350 -0.001 0.000 0.204 77 E C 0.156 176.709 176.600 -0.077 0.000 0.994 77 E CA 0.139 56.518 56.400 -0.035 0.000 0.945 77 E CB 0.987 30.661 29.700 -0.044 0.000 0.990 77 E HN 0.468 nan 8.360 nan 0.000 0.493 78 I N 0.830 121.338 120.570 -0.103 0.000 2.498 78 I HA 0.212 4.382 4.170 -0.001 0.000 0.290 78 I C -0.375 175.560 176.117 -0.304 0.000 1.032 78 I CA -0.933 60.205 61.300 -0.270 0.000 1.073 78 I CB 1.779 39.508 38.000 -0.452 0.000 1.251 78 I HN -0.121 nan 8.210 nan 0.000 0.426 79 H N 5.154 123.997 119.070 -0.378 0.000 2.481 79 H HA 0.549 5.104 4.556 -0.001 0.000 0.339 79 H C -1.540 173.505 175.328 -0.472 0.000 1.131 79 H CA 0.024 55.907 56.048 -0.275 0.000 1.301 79 H CB 0.925 30.617 29.762 -0.117 0.000 1.476 79 H HN 0.252 nan 8.280 nan 0.000 0.529 80 F N 2.054 121.736 119.950 -0.446 0.000 2.493 80 F HA 0.326 4.852 4.527 -0.001 0.000 0.329 80 F C 0.011 175.649 175.800 -0.270 0.000 1.126 80 F CA -0.654 57.199 58.000 -0.245 0.000 0.937 80 F CB 1.924 40.834 39.000 -0.149 0.000 1.146 80 F HN 0.388 nan 8.300 nan 0.000 0.442 81 T N 2.584 117.183 114.554 0.076 0.000 2.824 81 T HA 0.256 4.606 4.350 -0.001 0.000 0.280 81 T C -0.327 174.419 174.700 0.077 0.000 0.995 81 T CA -1.014 61.135 62.100 0.081 0.000 1.009 81 T CB 1.426 70.361 68.868 0.112 0.000 0.955 81 T HN 0.509 nan 8.240 nan 0.000 0.452 82 K N 2.590 123.029 120.400 0.064 0.000 2.484 82 K HA 0.089 4.409 4.320 -0.001 0.000 0.280 82 K C -0.323 176.322 176.600 0.076 0.000 1.013 82 K CA 0.255 56.574 56.287 0.054 0.000 1.029 82 K CB 0.365 32.901 32.500 0.059 0.000 0.902 82 K HN 0.526 nan 8.250 nan 0.000 0.481 83 K N 3.846 124.300 120.400 0.090 0.000 2.507 83 K HA 0.174 4.493 4.320 -0.001 0.000 0.251 83 K C -1.406 175.296 176.600 0.169 0.000 0.943 83 K CA -0.534 55.837 56.287 0.140 0.000 0.794 83 K CB 1.516 34.131 32.500 0.192 0.000 1.188 83 K HN 0.631 nan 8.250 nan 0.000 0.428 84 E N 2.435 122.695 120.200 0.099 0.000 2.158 84 E HA 0.243 4.592 4.350 -0.001 0.000 0.271 84 E C -0.603 175.948 176.600 -0.082 0.000 0.911 84 E CA -0.425 56.002 56.400 0.046 0.000 0.767 84 E CB 1.911 31.701 29.700 0.150 0.000 1.120 84 E HN 0.772 nan 8.360 nan 0.000 0.405 85 T N -1.015 113.332 114.554 -0.344 0.000 2.724 85 T HA 0.163 4.512 4.350 -0.001 0.000 0.274 85 T C 0.870 175.385 174.700 -0.309 0.000 0.984 85 T CA -0.577 61.293 62.100 -0.383 0.000 1.024 85 T CB 0.671 69.102 68.868 -0.728 0.000 1.320 85 T HN 0.360 nan 8.240 nan 0.000 0.555 86 D N 0.041 120.119 120.400 -0.537 0.000 2.144 86 D HA -0.069 4.571 4.640 -0.001 0.000 0.199 86 D C 1.586 177.663 176.300 -0.372 0.000 0.984 86 D CA 0.944 54.465 54.000 -0.798 0.000 0.834 86 D CB -0.281 39.700 40.800 -1.365 0.000 0.955 86 D HN 0.512 nan 8.370 nan 0.000 0.465 87 I N -1.317 119.027 120.570 -0.377 0.000 3.645 87 I HA 0.108 4.277 4.170 -0.001 0.000 0.300 87 I C -0.389 175.659 176.117 -0.115 0.000 1.260 87 I CA -0.119 61.035 61.300 -0.242 0.000 1.365 87 I CB 0.291 38.187 38.000 -0.174 0.000 1.077 87 I HN 0.003 nan 8.210 nan 0.000 0.439 88 Y N -1.108 119.100 120.300 -0.154 0.000 2.581 88 Y HA 0.605 5.155 4.550 -0.001 0.000 0.337 88 Y C -0.796 174.844 175.900 -0.433 0.000 1.108 88 Y CA -1.447 56.446 58.100 -0.344 0.000 1.033 88 Y CB 0.599 38.915 38.460 -0.240 0.000 1.318 88 Y HN -0.194 nan 8.280 nan 0.000 0.459 89 R N 2.577 122.757 120.500 -0.533 0.000 2.439 89 R HA 0.835 5.174 4.340 -0.001 0.000 0.310 89 R C -2.450 173.713 176.300 -0.229 0.000 0.955 89 R CA -0.751 55.244 56.100 -0.176 0.000 0.853 89 R CB 1.995 32.250 30.300 -0.074 0.000 1.171 89 R HN 0.782 nan 8.270 nan 0.000 0.449 90 V N 4.172 123.995 119.914 -0.152 0.000 2.932 90 V HA 0.326 4.446 4.120 -0.001 0.000 0.307 90 V C -1.317 174.649 176.094 -0.213 0.000 1.147 90 V CA -1.106 60.949 62.300 -0.409 0.000 0.951 90 V CB 2.671 34.144 31.823 -0.584 0.000 1.031 90 V HN 0.846 nan 8.190 nan 0.000 0.426 91 N N 4.541 123.097 118.700 -0.241 0.000 2.415 91 N HA 0.362 5.101 4.740 -0.001 0.000 0.246 91 N C -0.393 175.128 175.510 0.017 0.000 1.078 91 N CA -0.367 52.637 53.050 -0.076 0.000 0.942 91 N CB 1.542 39.978 38.487 -0.084 0.000 1.140 91 N HN 0.758 nan 8.380 nan 0.000 0.501 92 Q N -0.059 119.804 119.800 0.105 0.000 2.194 92 Q HA 0.628 4.967 4.340 -0.001 0.000 0.245 92 Q C 0.295 176.441 176.000 0.244 0.000 0.993 92 Q CA -0.908 55.001 55.803 0.177 0.000 0.930 92 Q CB 0.697 29.469 28.738 0.056 0.000 1.238 92 Q HN 0.376 nan 8.270 nan 0.000 0.486 93 S N -2.171 113.632 115.700 0.172 0.000 2.819 93 S HA 0.425 4.894 4.470 -0.001 0.000 0.249 93 S C 0.652 175.278 174.600 0.042 0.000 1.030 93 S CA -0.303 57.899 58.200 0.002 0.000 1.052 93 S CB -0.027 63.080 63.200 -0.154 0.000 1.017 93 S HN 0.770 nan 8.310 nan 0.000 0.576 101 G N 1.133 109.871 108.800 -0.104 0.000 2.358 101 G HA2 -0.215 3.745 3.960 -0.001 0.000 0.224 101 G HA3 -0.215 3.745 3.960 -0.001 0.000 0.224 101 G C -0.261 174.531 174.900 -0.181 0.000 1.073 101 G CA 0.147 45.166 45.100 -0.136 0.000 0.635 101 G HN 0.818 nan 8.290 nan 0.000 0.509 102 L N 2.119 123.214 121.223 -0.214 0.000 2.313 102 L HA 0.764 5.104 4.340 -0.001 0.000 0.273 102 L C -1.093 175.578 176.870 -0.332 0.000 1.028 102 L CA -0.881 53.755 54.840 -0.339 0.000 0.871 102 L CB 1.436 43.250 42.059 -0.409 0.000 1.242 102 L HN 0.190 nan 8.230 nan 0.000 0.434 103 D N 2.816 123.042 120.400 -0.290 0.000 2.441 103 D HA 0.187 4.827 4.640 -0.001 0.000 0.231 103 D C 0.339 176.558 176.300 -0.135 0.000 1.073 103 D CA -0.222 53.682 54.000 -0.160 0.000 0.850 103 D CB 0.649 41.410 40.800 -0.065 0.000 1.062 103 D HN 0.477 nan 8.370 nan 0.000 0.524 104 W N 1.899 123.213 121.300 0.024 0.000 2.468 104 W HA -0.027 4.632 4.660 -0.001 0.000 0.262 104 W C 1.178 177.723 176.519 0.043 0.000 1.241 104 W CA 0.074 57.437 57.345 0.029 0.000 1.232 104 W CB 0.402 29.864 29.460 0.004 0.000 1.124 104 W HN 0.408 nan 8.180 nan 0.000 0.597 105 D N -1.185 119.343 120.400 0.214 0.000 2.350 105 D HA -0.023 4.617 4.640 -0.001 0.000 0.213 105 D C -0.328 176.043 176.300 0.117 0.000 1.031 105 D CA 0.940 55.033 54.000 0.154 0.000 0.861 105 D CB 0.216 41.080 40.800 0.106 0.000 0.926 105 D HN 0.133 nan 8.370 nan 0.000 0.520 106 D N 0.253 120.703 120.400 0.084 0.000 2.330 106 D HA 0.201 4.841 4.640 -0.001 0.000 0.249 106 D C -0.132 176.176 176.300 0.014 0.000 1.306 106 D CA -0.259 53.764 54.000 0.038 0.000 0.956 106 D CB 0.520 41.321 40.800 0.003 0.000 1.261 106 D HN -0.174 nan 8.370 nan 0.000 0.544 107 L N 2.310 123.569 121.223 0.060 0.000 2.872 107 L HA 0.149 4.489 4.340 -0.001 0.000 0.245 107 L C 1.950 178.803 176.870 -0.027 0.000 1.211 107 L CA -0.036 54.832 54.840 0.047 0.000 1.013 107 L CB 0.051 42.250 42.059 0.235 0.000 1.326 107 L HN 0.358 nan 8.230 nan 0.000 0.525 108 S N -0.104 115.551 115.700 -0.075 0.000 2.380 108 S HA -0.267 4.203 4.470 -0.001 0.000 0.229 108 S C 1.886 176.438 174.600 -0.079 0.000 1.043 108 S CA 1.165 59.300 58.200 -0.108 0.000 1.038 108 S CB -0.321 62.824 63.200 -0.092 0.000 0.872 108 S HN 0.486 nan 8.310 nan 0.000 0.456 109 R N 0.447 120.911 120.500 -0.060 0.000 2.313 109 R HA 0.357 4.697 4.340 -0.001 0.000 0.199 109 R C -0.215 176.064 176.300 -0.036 0.000 0.958 109 R CA 0.268 56.339 56.100 -0.048 0.000 1.047 109 R CB -0.129 30.142 30.300 -0.049 0.000 0.955 109 R HN 0.376 nan 8.270 nan 0.000 0.481 110 L N 0.709 121.916 121.223 -0.027 0.000 2.783 110 L HA 0.251 4.591 4.340 -0.001 0.000 0.265 110 L C -1.795 175.103 176.870 0.047 0.000 1.398 110 L CA -1.175 53.666 54.840 0.002 0.000 0.802 110 L CB 1.688 43.738 42.059 -0.015 0.000 1.126 110 L HN -0.107 nan 8.230 nan 0.000 0.529 111 P HA -0.141 nan 4.420 nan 0.000 0.218 111 P C 0.861 178.230 177.300 0.114 0.000 1.149 111 P CA 1.315 64.437 63.100 0.037 0.000 0.817 111 P CB 0.291 31.982 31.700 -0.014 0.000 0.785 112 N N -0.095 118.653 118.700 0.081 0.000 2.084 112 N HA -0.122 4.618 4.740 -0.001 0.000 0.190 112 N C 1.868 177.440 175.510 0.102 0.000 1.030 112 N CA 0.796 53.893 53.050 0.079 0.000 0.849 112 N CB -0.903 37.617 38.487 0.054 0.000 1.012 112 N HN 0.093 nan 8.380 nan 0.000 0.423 113 L N 0.787 122.081 121.223 0.117 0.000 2.012 113 L HA -0.093 4.247 4.340 -0.001 0.000 0.210 113 L C 2.132 179.119 176.870 0.195 0.000 1.073 113 L CA 1.355 56.280 54.840 0.142 0.000 0.748 113 L CB -1.035 41.097 42.059 0.122 0.000 0.891 113 L HN 0.046 nan 8.230 nan 0.000 0.431 114 F N 0.421 120.416 119.950 0.075 0.000 2.120 114 F HA -0.335 4.192 4.527 -0.001 0.000 0.300 114 F C 2.518 178.358 175.800 0.067 0.000 1.095 114 F CA 2.251 60.304 58.000 0.087 0.000 1.249 114 F CB -0.178 38.854 39.000 0.053 0.000 0.995 114 F HN 0.127 nan 8.300 nan 0.000 0.480 115 K N 0.586 121.138 120.400 0.253 0.000 1.991 115 K HA -0.218 4.102 4.320 -0.001 0.000 0.212 115 K C 1.963 178.559 176.600 -0.008 0.000 1.049 115 K CA 1.853 58.212 56.287 0.119 0.000 0.932 115 K CB -1.017 31.540 32.500 0.096 0.000 0.717 115 K HN 0.323 nan 8.250 nan 0.000 0.441 116 L N 1.495 122.710 121.223 -0.013 0.000 1.997 116 L HA -0.202 4.138 4.340 -0.001 0.000 0.216 116 L C 2.430 179.275 176.870 -0.041 0.000 1.074 116 L CA 2.127 56.927 54.840 -0.067 0.000 0.763 116 L CB -0.663 41.381 42.059 -0.025 0.000 0.890 116 L HN 0.306 nan 8.230 nan 0.000 0.434 117 R N -1.189 119.317 120.500 0.010 0.000 2.120 117 R HA -0.203 4.137 4.340 -0.001 0.000 0.234 117 R C 2.376 178.687 176.300 0.018 0.000 1.123 117 R CA 1.745 57.870 56.100 0.042 0.000 0.975 117 R CB -0.247 30.052 30.300 -0.002 0.000 0.866 117 R HN 0.608 nan 8.270 nan 0.000 0.446 118 Q N 0.487 120.225 119.800 -0.103 0.000 2.123 118 Q HA -0.108 4.231 4.340 -0.001 0.000 0.199 118 Q C 2.184 178.213 176.000 0.047 0.000 0.966 118 Q CA 1.567 57.328 55.803 -0.070 0.000 0.845 118 Q CB 0.004 28.674 28.738 -0.114 0.000 0.907 118 Q HN 0.596 nan 8.270 nan 0.000 0.439 119 I N -2.726 117.854 120.570 0.016 0.000 2.406 119 I HA -0.142 4.028 4.170 -0.001 0.000 0.249 119 I C 1.858 178.070 176.117 0.159 0.000 1.122 119 I CA 0.779 62.128 61.300 0.080 0.000 1.431 119 I CB -0.324 37.603 38.000 -0.122 0.000 1.087 119 I HN 0.061 nan 8.210 nan 0.000 0.424 120 L N -0.239 120.973 121.223 -0.018 0.000 2.191 120 L HA -0.143 4.197 4.340 -0.001 0.000 0.212 120 L C 1.800 178.591 176.870 -0.131 0.000 1.103 120 L CA 1.507 56.187 54.840 -0.268 0.000 0.769 120 L CB -0.399 41.398 42.059 -0.437 0.000 0.908 120 L HN 0.304 nan 8.230 nan 0.000 0.438 121 Y N -1.002 119.358 120.300 0.099 0.000 2.467 121 Y HA 0.100 4.649 4.550 -0.001 0.000 0.250 121 Y C 1.740 177.742 175.900 0.169 0.000 1.155 121 Y CA -0.518 57.696 58.100 0.190 0.000 1.249 121 Y CB 0.154 38.666 38.460 0.088 0.000 1.146 121 Y HN 0.066 nan 8.280 nan 0.000 0.524 122 S N 0.332 116.188 115.700 0.260 0.000 2.560 122 S HA -0.097 4.373 4.470 -0.001 0.000 0.276 122 S C 1.536 176.253 174.600 0.195 0.000 1.350 122 S CA -0.308 58.016 58.200 0.207 0.000 1.024 122 S CB 0.989 64.316 63.200 0.212 0.000 0.864 122 S HN 0.469 nan 8.310 nan 0.000 0.536 123 K N 0.825 121.308 120.400 0.138 0.000 2.097 123 K HA -0.205 4.114 4.320 -0.001 0.000 0.206 123 K C 2.080 178.750 176.600 0.117 0.000 1.049 123 K CA 1.767 58.119 56.287 0.107 0.000 0.933 123 K CB -0.306 32.235 32.500 0.068 0.000 0.717 123 K HN 0.702 nan 8.250 nan 0.000 0.442 124 Q N -0.637 119.241 119.800 0.131 0.000 2.050 124 Q HA -0.175 4.165 4.340 -0.001 0.000 0.202 124 Q C 1.785 177.994 176.000 0.348 0.000 0.980 124 Q CA 1.882 57.774 55.803 0.149 0.000 0.840 124 Q CB -0.403 28.312 28.738 -0.038 0.000 0.898 124 Q HN 0.441 nan 8.270 nan 0.000 0.424 125 Y N 0.397 120.828 120.300 0.218 0.000 2.286 125 Y HA -0.055 4.494 4.550 -0.001 0.000 0.293 125 Y C 1.960 177.858 175.900 -0.003 0.000 1.124 125 Y CA 1.076 59.224 58.100 0.081 0.000 1.178 125 Y CB 0.252 38.645 38.460 -0.113 0.000 1.010 125 Y HN -0.055 nan 8.280 nan 0.000 0.536 126 R N 0.010 120.538 120.500 0.046 0.000 2.092 126 R HA -0.151 4.189 4.340 -0.001 0.000 0.231 126 R C 1.589 177.831 176.300 -0.096 0.000 1.119 126 R CA 1.510 57.542 56.100 -0.114 0.000 0.970 126 R CB -0.243 30.050 30.300 -0.011 0.000 0.864 126 R HN 0.388 nan 8.270 nan 0.000 0.440 127 D N 0.240 120.641 120.400 0.003 0.000 2.117 127 D HA -0.173 4.467 4.640 -0.001 0.000 0.198 127 D C 1.565 177.878 176.300 0.022 0.000 0.982 127 D CA 0.985 54.996 54.000 0.018 0.000 0.828 127 D CB -0.278 40.553 40.800 0.051 0.000 0.967 127 D HN 0.105 nan 8.370 nan 0.000 0.464 128 F N 0.729 120.608 119.950 -0.118 0.000 2.102 128 F HA -0.200 4.327 4.527 -0.001 0.000 0.298 128 F C 2.067 177.740 175.800 -0.211 0.000 1.105 128 F CA 1.110 59.007 58.000 -0.172 0.000 1.239 128 F CB -0.505 38.273 39.000 -0.370 0.000 0.991 128 F HN -0.166 nan 8.300 nan 0.000 0.474 129 F N 1.163 120.532 119.950 -0.970 0.000 2.206 129 F HA 0.118 4.644 4.527 -0.001 0.000 0.298 129 F C 2.558 177.944 175.800 -0.690 0.000 1.090 129 F CA 1.408 58.729 58.000 -1.132 0.000 1.323 129 F CB -1.127 37.225 39.000 -1.080 0.000 1.028 129 F HN 0.059 nan 8.300 nan 0.000 0.492 130 G N -1.780 106.811 108.800 -0.348 0.000 2.422 130 G HA2 -0.328 3.632 3.960 -0.001 0.000 0.218 130 G HA3 -0.328 3.632 3.960 -0.001 0.000 0.218 130 G C 1.583 176.355 174.900 -0.213 0.000 1.140 130 G CA 0.868 45.817 45.100 -0.252 0.000 0.775 130 G HN 0.458 nan 8.290 nan 0.000 0.545 131 Y N 1.846 121.958 120.300 -0.313 0.000 2.184 131 Y HA -0.090 4.459 4.550 -0.001 0.000 0.290 131 Y C 2.725 178.450 175.900 -0.292 0.000 1.129 131 Y CA 1.750 59.703 58.100 -0.246 0.000 1.144 131 Y CB -0.339 38.017 38.460 -0.174 0.000 0.995 131 Y HN 0.105 nan 8.280 nan 0.000 0.513 132 V N -1.841 117.705 119.914 -0.615 0.000 2.667 132 V HA -0.094 4.026 4.120 -0.001 0.000 0.252 132 V C 1.805 177.599 176.094 -0.499 0.000 1.065 132 V CA 2.031 63.941 62.300 -0.650 0.000 1.083 132 V CB -1.570 29.885 31.823 -0.614 0.000 0.692 132 V HN 0.579 nan 8.190 nan 0.000 0.468 133 T N -3.472 110.802 114.554 -0.467 0.000 3.086 133 T HA 0.211 4.560 4.350 -0.001 0.000 0.250 133 T C 0.840 175.396 174.700 -0.240 0.000 1.074 133 T CA 0.234 62.148 62.100 -0.310 0.000 0.988 133 T CB -0.422 68.250 68.868 -0.327 0.000 0.988 133 T HN 0.544 nan 8.240 nan 0.000 0.530 134 K N 0.443 120.672 120.400 -0.285 0.000 3.077 134 K HA -0.189 4.131 4.320 -0.001 0.000 0.264 134 K C 0.981 177.497 176.600 -0.141 0.000 1.008 134 K CA 0.279 56.443 56.287 -0.205 0.000 0.740 134 K CB -1.650 30.744 32.500 -0.177 0.000 1.273 134 K HN 0.572 nan 8.250 nan 0.000 0.477 135 A N 0.141 122.870 122.820 -0.151 0.000 2.147 135 A HA 0.472 4.791 4.320 -0.001 0.000 0.211 135 A C 1.339 178.864 177.584 -0.099 0.000 1.160 135 A CA 1.367 53.333 52.037 -0.118 0.000 0.781 135 A CB 0.089 19.014 19.000 -0.125 0.000 0.842 135 A HN 0.977 nan 8.150 nan 0.000 0.475 136 G N -0.098 108.651 108.800 -0.086 0.000 2.512 136 G HA2 -0.161 3.799 3.960 -0.001 0.000 0.240 136 G HA3 -0.161 3.799 3.960 -0.001 0.000 0.240 136 G C -0.552 174.319 174.900 -0.048 0.000 1.246 136 G CA -0.142 44.925 45.100 -0.055 0.000 0.919 136 G HN 0.390 nan 8.290 nan 0.000 0.577 137 K N 0.070 120.455 120.400 -0.025 0.000 2.168 137 K HA 0.723 5.042 4.320 -0.001 0.000 0.258 137 K C 0.345 176.952 176.600 0.011 0.000 1.010 137 K CA -0.196 56.090 56.287 -0.002 0.000 0.929 137 K CB 0.533 33.046 32.500 0.022 0.000 0.998 137 K HN 0.562 nan 8.250 nan 0.000 0.479 138 L N 0.055 121.302 121.223 0.040 0.000 2.401 138 L HA 0.308 4.648 4.340 -0.001 0.000 0.266 138 L C 0.288 177.267 176.870 0.182 0.000 0.991 138 L CA -1.038 53.866 54.840 0.106 0.000 0.818 138 L CB 1.997 44.089 42.059 0.054 0.000 1.321 138 L HN 0.474 nan 8.230 nan 0.000 0.413 139 S N 0.623 116.474 115.700 0.252 0.000 2.537 139 S HA 0.160 4.629 4.470 -0.001 0.000 0.286 139 S C 1.096 175.878 174.600 0.303 0.000 1.299 139 S CA 0.303 58.649 58.200 0.243 0.000 1.067 139 S CB 0.952 64.296 63.200 0.241 0.000 0.864 139 S HN 0.807 nan 8.310 nan 0.000 0.494 140 G N 2.773 111.699 108.800 0.211 0.000 2.459 140 G HA2 -0.075 3.885 3.960 -0.001 0.000 0.213 140 G HA3 -0.075 3.885 3.960 -0.001 0.000 0.213 140 G C 1.588 176.566 174.900 0.130 0.000 1.155 140 G CA 0.595 45.825 45.100 0.218 0.000 0.811 140 G HN 0.851 nan 8.290 nan 0.000 0.534 141 S N -0.175 115.559 115.700 0.057 0.000 2.421 141 S HA 0.119 4.588 4.470 -0.001 0.000 0.224 141 S C 1.355 175.894 174.600 -0.102 0.000 1.035 141 S CA 0.440 58.623 58.200 -0.029 0.000 0.953 141 S CB -0.059 63.127 63.200 -0.024 0.000 0.810 141 S HN 0.207 nan 8.310 nan 0.000 0.497 142 K N 3.850 124.213 120.400 -0.062 0.000 2.111 142 K HA 0.134 4.454 4.320 -0.001 0.000 0.249 142 K C -0.178 176.309 176.600 -0.188 0.000 1.157 142 K CA -0.117 56.083 56.287 -0.145 0.000 1.048 142 K CB -0.367 32.040 32.500 -0.155 0.000 1.498 142 K HN 0.522 nan 8.250 nan 0.000 0.344 143 T N -0.293 114.012 114.554 -0.415 0.000 2.913 143 T HA 0.328 4.677 4.350 -0.001 0.000 0.287 143 T C -0.166 174.297 174.700 -0.395 0.000 1.008 143 T CA -0.722 60.922 62.100 -0.761 0.000 1.067 143 T CB 1.624 69.809 68.868 -1.139 0.000 0.996 143 T HN 0.425 nan 8.240 nan 0.000 0.513 147 I N 1.749 122.509 120.570 0.317 0.000 2.465 147 I HA 0.573 4.743 4.170 -0.001 0.000 0.291 147 I C -0.628 175.670 176.117 0.302 0.000 1.014 147 I CA -0.586 60.888 61.300 0.289 0.000 1.093 147 I CB 2.031 40.243 38.000 0.354 0.000 1.267 147 I HN 0.744 nan 8.210 nan 0.000 0.431 148 N N 2.037 120.803 118.700 0.110 0.000 2.329 148 N HA 0.643 5.383 4.740 -0.001 0.000 0.282 148 N C -1.236 174.109 175.510 -0.275 0.000 1.198 148 N CA -0.770 52.250 53.050 -0.051 0.000 0.790 148 N CB 2.438 40.923 38.487 -0.002 0.000 1.579 148 N HN 0.657 nan 8.380 nan 0.000 0.475 149 T N -1.634 112.644 114.554 -0.460 0.000 2.863 149 T HA 0.524 4.873 4.350 -0.001 0.000 0.285 149 T C -1.430 173.166 174.700 -0.173 0.000 1.009 149 T CA -0.521 61.397 62.100 -0.304 0.000 0.989 149 T CB 0.627 69.216 68.868 -0.465 0.000 1.004 149 T HN 0.253 nan 8.240 nan 0.000 0.455 150 Y N 2.062 122.292 120.300 -0.117 0.000 2.328 150 Y HA 0.558 5.108 4.550 -0.001 0.000 0.337 150 Y C 1.297 177.174 175.900 -0.038 0.000 1.008 150 Y CA -0.564 57.511 58.100 -0.041 0.000 1.129 150 Y CB 1.708 40.185 38.460 0.028 0.000 1.185 150 Y HN 1.022 nan 8.280 nan 0.000 0.476 151 T N -0.378 114.192 114.554 0.028 0.000 2.905 151 T HA 0.397 4.747 4.350 -0.001 0.000 0.283 151 T C -0.335 174.406 174.700 0.069 0.000 1.031 151 T CA -1.444 60.612 62.100 -0.073 0.000 1.002 151 T CB 1.160 69.866 68.868 -0.270 0.000 1.200 151 T HN 0.419 nan 8.240 nan 0.000 0.560 152 K N 0.329 120.757 120.400 0.046 0.000 2.504 152 K HA 0.230 4.549 4.320 -0.001 0.000 0.278 152 K C 1.403 178.103 176.600 0.166 0.000 1.025 152 K CA 1.527 57.882 56.287 0.113 0.000 1.093 152 K CB -0.546 31.999 32.500 0.074 0.000 0.873 152 K HN 1.081 nan 8.250 nan 0.000 0.483 153 G N 2.772 111.724 108.800 0.254 0.000 2.241 153 G HA2 -0.279 3.680 3.960 -0.001 0.000 0.244 153 G HA3 -0.279 3.680 3.960 -0.001 0.000 0.244 153 G C 0.302 175.467 174.900 0.442 0.000 0.998 153 G CA 0.042 45.340 45.100 0.331 0.000 0.621 153 G HN 0.679 nan 8.290 nan 0.000 0.519 154 C N 3.165 122.664 119.300 0.331 0.000 2.652 154 C HA 0.702 5.161 4.460 -0.001 0.000 0.412 154 C C 0.547 175.832 174.990 0.491 0.000 1.294 154 C CA 0.556 59.731 59.018 0.263 0.000 2.127 154 C CB -0.366 27.418 27.740 0.072 0.000 2.691 154 C HN 0.798 nan 8.230 nan 0.000 0.615 155 H N 0.780 120.047 119.070 0.329 0.000 2.969 155 H HA 0.607 5.163 4.556 -0.001 0.000 0.304 155 H C -2.127 173.363 175.328 0.269 0.000 1.400 155 H CA -0.972 55.254 56.048 0.296 0.000 1.182 155 H CB 0.936 30.708 29.762 0.017 0.000 1.865 155 H HN 0.516 nan 8.280 nan 0.000 0.512 156 L N 2.044 123.444 121.223 0.295 0.000 2.476 156 L HA 0.423 4.762 4.340 -0.001 0.000 0.269 156 L C -1.250 175.691 176.870 0.118 0.000 0.965 156 L CA -0.403 54.550 54.840 0.188 0.000 0.845 156 L CB 1.430 43.622 42.059 0.221 0.000 1.259 156 L HN 0.675 nan 8.230 nan 0.000 0.403 157 L N 2.045 123.259 121.223 -0.015 0.000 2.482 157 L HA 0.429 4.768 4.340 -0.001 0.000 0.242 157 L C 0.495 177.384 176.870 0.032 0.000 1.210 157 L CA -0.736 54.003 54.840 -0.168 0.000 0.819 157 L CB 0.327 42.020 42.059 -0.610 0.000 1.203 157 L HN 0.622 nan 8.230 nan 0.000 0.495 158 T N 0.334 114.865 114.554 -0.038 0.000 2.867 158 T HA 0.207 4.557 4.350 -0.001 0.000 0.297 158 T C -0.258 174.541 174.700 0.166 0.000 0.989 158 T CA -0.190 61.888 62.100 -0.037 0.000 1.159 158 T CB -0.371 68.321 68.868 -0.293 0.000 0.928 158 T HN 0.707 nan 8.240 nan 0.000 0.538 159 H N 1.301 120.363 119.070 -0.014 0.000 2.918 159 H HA 0.421 4.976 4.556 -0.001 0.000 0.303 159 H C -0.650 174.656 175.328 -0.037 0.000 1.380 159 H CA -1.052 55.028 56.048 0.054 0.000 1.134 159 H CB 1.051 30.814 29.762 0.003 0.000 1.842 159 H HN 0.532 nan 8.280 nan 0.000 0.533 160 D N -1.292 118.998 120.400 -0.184 0.000 2.500 160 D HA 0.083 4.723 4.640 -0.001 0.000 0.218 160 D C -0.257 176.057 176.300 0.024 0.000 1.140 160 D CA 0.278 54.049 54.000 -0.381 0.000 0.830 160 D CB 0.261 40.466 40.800 -0.992 0.000 1.055 160 D HN 0.482 nan 8.370 nan 0.000 0.512 161 D N -0.962 119.596 120.400 0.264 0.000 3.006 161 D HA -0.133 4.506 4.640 -0.001 0.000 0.205 161 D C -0.438 175.961 176.300 0.165 0.000 1.075 161 D CA 0.730 54.959 54.000 0.382 0.000 1.000 161 D CB -1.422 39.771 40.800 0.655 0.000 1.097 161 D HN 0.258 nan 8.370 nan 0.000 0.426 162 V N 1.982 121.938 119.914 0.069 0.000 2.287 162 V HA 0.157 4.277 4.120 -0.001 0.000 0.246 162 V C 0.486 176.585 176.094 0.008 0.000 1.165 162 V CA 0.153 62.476 62.300 0.038 0.000 1.088 162 V CB -0.093 31.695 31.823 -0.058 0.000 1.242 162 V HN 0.084 nan 8.190 nan 0.000 0.497 163 I N 2.716 123.287 120.570 0.002 0.000 2.545 163 I HA 0.622 4.791 4.170 -0.001 0.000 0.292 163 I C 1.151 177.297 176.117 0.049 0.000 1.040 163 I CA -0.027 61.259 61.300 -0.023 0.000 1.068 163 I CB 0.977 38.908 38.000 -0.115 0.000 1.251 163 I HN 0.619 nan 8.210 nan 0.000 0.424 164 G N 5.019 113.867 108.800 0.081 0.000 2.698 164 G HA2 -0.360 3.599 3.960 -0.001 0.000 0.346 164 G HA3 -0.360 3.599 3.960 -0.001 0.000 0.346 164 G C 0.687 175.764 174.900 0.295 0.000 1.287 164 G CA 1.211 46.405 45.100 0.157 0.000 0.990 164 G HN 0.884 nan 8.290 nan 0.000 0.545 165 S N 0.520 116.395 115.700 0.292 0.000 2.614 165 S HA 0.381 4.851 4.470 -0.001 0.000 0.230 165 S C 0.842 175.506 174.600 0.106 0.000 0.952 165 S CA 0.226 58.597 58.200 0.286 0.000 0.949 165 S CB 0.188 63.587 63.200 0.332 0.000 0.786 165 S HN 0.696 nan 8.310 nan 0.000 0.478 166 R N 1.355 121.824 120.500 -0.053 0.000 2.522 166 R HA 0.277 4.617 4.340 -0.001 0.000 0.284 166 R C 1.179 177.440 176.300 -0.065 0.000 1.032 166 R CA -0.016 55.913 56.100 -0.285 0.000 1.049 166 R CB 0.429 30.604 30.300 -0.208 0.000 0.956 166 R HN 0.388 nan 8.270 nan 0.000 0.422 167 R N 2.539 123.014 120.500 -0.043 0.000 2.276 167 R HA 0.254 4.593 4.340 -0.001 0.000 0.195 167 R C -0.046 176.321 176.300 0.111 0.000 0.908 167 R CA 0.345 56.430 56.100 -0.024 0.000 1.083 167 R CB 0.811 31.069 30.300 -0.071 0.000 1.182 167 R HN 0.523 nan 8.270 nan 0.000 0.608 168 I N 1.024 121.725 120.570 0.218 0.000 2.582 168 I HA 0.292 4.462 4.170 -0.001 0.000 0.292 168 I C -0.904 175.365 176.117 0.253 0.000 1.066 168 I CA -0.909 60.548 61.300 0.261 0.000 1.053 168 I CB 2.442 40.635 38.000 0.321 0.000 1.241 168 I HN -0.032 nan 8.210 nan 0.000 0.421 169 S N 5.505 121.191 115.700 -0.023 0.000 2.489 169 S HA 0.728 5.198 4.470 -0.001 0.000 0.291 169 S C -0.702 173.687 174.600 -0.352 0.000 1.151 169 S CA -0.511 57.417 58.200 -0.452 0.000 1.082 169 S CB 0.855 63.629 63.200 -0.710 0.000 1.019 169 S HN 0.446 nan 8.310 nan 0.000 0.492 170 F N 0.513 120.200 119.950 -0.437 0.000 2.588 170 F HA 0.892 5.419 4.527 -0.001 0.000 0.314 170 F C -1.365 174.211 175.800 -0.373 0.000 1.069 170 F CA -1.404 56.468 58.000 -0.213 0.000 0.931 170 F CB 0.782 39.783 39.000 0.002 0.000 1.260 170 F HN 0.278 nan 8.300 nan 0.000 0.465 171 I N 3.348 123.876 120.570 -0.071 0.000 2.499 171 I HA 0.447 4.616 4.170 -0.001 0.000 0.288 171 I C -1.432 174.517 176.117 -0.280 0.000 1.048 171 I CA -0.703 60.401 61.300 -0.327 0.000 1.062 171 I CB 1.986 39.684 38.000 -0.503 0.000 1.238 171 I HN 0.685 nan 8.210 nan 0.000 0.426 172 L N 7.372 128.430 121.223 -0.277 0.000 2.322 172 L HA 0.572 4.912 4.340 -0.001 0.000 0.281 172 L C -1.511 175.138 176.870 -0.369 0.000 1.014 172 L CA -0.212 54.504 54.840 -0.208 0.000 0.815 172 L CB 0.789 42.807 42.059 -0.069 0.000 1.247 172 L HN 0.360 nan 8.230 nan 0.000 0.421 173 Y N 5.569 125.830 120.300 -0.065 0.000 2.330 173 Y HA 0.553 5.103 4.550 -0.001 0.000 0.336 173 Y C -0.125 175.720 175.900 -0.092 0.000 1.036 173 Y CA -0.463 57.585 58.100 -0.088 0.000 1.125 173 Y CB 1.447 39.845 38.460 -0.102 0.000 1.194 173 Y HN 0.425 nan 8.280 nan 0.000 0.469 174 L N 5.432 126.733 121.223 0.130 0.000 3.059 174 L HA 0.327 4.667 4.340 -0.001 0.000 0.298 174 L C -2.397 174.645 176.870 0.287 0.000 1.304 174 L CA -1.326 53.666 54.840 0.253 0.000 0.855 174 L CB 0.126 42.302 42.059 0.195 0.000 1.266 174 L HN 0.413 nan 8.230 nan 0.000 0.572 175 P HA 0.008 nan 4.420 nan 0.000 0.286 175 P C -0.236 177.216 177.300 0.253 0.000 1.293 175 P CA -0.373 62.838 63.100 0.185 0.000 0.770 175 P CB 0.619 32.374 31.700 0.091 0.000 1.206 176 D N 0.710 121.234 120.400 0.206 0.000 2.502 176 D HA -0.044 4.596 4.640 -0.001 0.000 0.249 176 D C -1.141 175.147 176.300 -0.020 0.000 1.188 176 D CA -1.219 52.832 54.000 0.085 0.000 0.890 176 D CB 0.096 40.968 40.800 0.121 0.000 1.140 176 D HN 0.148 nan 8.370 nan 0.000 0.505 177 P HA -0.055 nan 4.420 nan 0.000 0.226 177 P C 0.013 177.172 177.300 -0.234 0.000 1.153 177 P CA 0.737 63.443 63.100 -0.656 0.000 0.777 177 P CB 0.470 31.409 31.700 -1.269 0.000 0.794 178 D N -0.471 119.858 120.400 -0.119 0.000 2.462 178 D HA 0.176 4.816 4.640 -0.001 0.000 0.221 178 D C 0.480 176.790 176.300 0.018 0.000 1.173 178 D CA 0.130 54.104 54.000 -0.044 0.000 0.831 178 D CB 0.862 41.631 40.800 -0.051 0.000 1.001 178 D HN 0.206 nan 8.370 nan 0.000 0.499 179 R N 0.505 121.041 120.500 0.060 0.000 2.626 179 R HA 0.264 4.603 4.340 -0.001 0.000 0.274 179 R C -0.419 175.975 176.300 0.156 0.000 1.031 179 R CA -0.779 55.382 56.100 0.102 0.000 0.898 179 R CB 2.601 32.971 30.300 0.118 0.000 1.222 179 R HN -0.179 nan 8.270 nan 0.000 0.455 180 K N 2.483 122.960 120.400 0.128 0.000 2.379 180 K HA 0.036 4.355 4.320 -0.001 0.000 0.284 180 K C -0.623 176.072 176.600 0.160 0.000 1.044 180 K CA -0.269 56.095 56.287 0.128 0.000 0.974 180 K CB 0.695 33.223 32.500 0.046 0.000 0.962 180 K HN 0.499 nan 8.250 nan 0.000 0.474 181 W N 6.595 127.917 121.300 0.036 0.000 2.388 181 W HA 0.126 4.785 4.660 -0.001 0.000 0.308 181 W C -0.746 175.607 176.519 -0.275 0.000 1.263 181 W CA -0.369 56.984 57.345 0.013 0.000 1.286 181 W CB 0.496 30.018 29.460 0.103 0.000 1.294 181 W HN 0.611 nan 8.180 nan 0.000 0.493 182 K N 2.877 122.569 120.400 -1.180 0.000 2.090 182 K HA 0.165 4.484 4.320 -0.001 0.000 0.249 182 K C 1.318 177.517 176.600 -0.667 0.000 0.995 182 K CA -0.482 55.248 56.287 -0.930 0.000 0.914 182 K CB 1.342 33.118 32.500 -1.207 0.000 1.057 182 K HN 0.309 nan 8.250 nan 0.000 0.462 183 S N 1.140 116.672 115.700 -0.280 0.000 2.359 183 S HA -0.181 4.288 4.470 -0.001 0.000 0.224 183 S C 1.728 176.259 174.600 -0.115 0.000 1.035 183 S CA 1.451 59.589 58.200 -0.102 0.000 1.018 183 S CB -0.489 62.697 63.200 -0.022 0.000 0.876 183 S HN 0.742 nan 8.310 nan 0.000 0.448 184 H N -0.577 118.369 119.070 -0.206 0.000 2.559 184 H HA 0.051 4.606 4.556 -0.001 0.000 0.273 184 H C 1.190 176.494 175.328 -0.041 0.000 1.000 184 H CA 0.735 56.700 56.048 -0.138 0.000 1.195 184 H CB -0.607 29.074 29.762 -0.135 0.000 1.368 184 H HN 0.372 nan 8.280 nan 0.000 0.592 185 Y N 1.893 121.784 120.300 -0.682 0.000 2.403 185 Y HA 0.080 4.630 4.550 -0.001 0.000 0.291 185 Y C 2.092 177.884 175.900 -0.181 0.000 1.143 185 Y CA 0.554 58.278 58.100 -0.627 0.000 1.257 185 Y CB -0.760 36.909 38.460 -1.319 0.000 0.984 185 Y HN 0.565 nan 8.280 nan 0.000 0.550 186 G N -1.115 107.756 108.800 0.117 0.000 2.632 186 G HA2 0.106 4.066 3.960 -0.001 0.000 0.224 186 G HA3 0.106 4.066 3.960 -0.001 0.000 0.224 186 G C 0.772 175.928 174.900 0.428 0.000 1.341 186 G CA 0.184 45.423 45.100 0.232 0.000 0.880 186 G HN 1.135 nan 8.290 nan 0.000 0.566 187 G N -1.403 107.597 108.800 0.334 0.000 2.148 187 G HA2 0.261 4.221 3.960 -0.001 0.000 0.254 187 G HA3 0.261 4.221 3.960 -0.001 0.000 0.254 187 G C 1.596 176.556 174.900 0.101 0.000 0.981 187 G CA 1.144 46.376 45.100 0.221 0.000 0.670 187 G HN 2.470 nan 8.290 nan 0.000 0.528 188 G N -0.714 108.169 108.800 0.138 0.000 2.544 188 G HA2 0.546 4.505 3.960 -0.001 0.000 0.242 188 G HA3 0.546 4.505 3.960 -0.001 0.000 0.242 188 G C 0.065 174.986 174.900 0.036 0.000 1.247 188 G CA 0.031 45.166 45.100 0.059 0.000 0.840 188 G HN 1.103 nan 8.290 nan 0.000 0.578 189 L N 1.431 122.651 121.223 -0.005 0.000 2.265 189 L HA 0.510 4.850 4.340 -0.001 0.000 0.288 189 L C 0.393 177.231 176.870 -0.052 0.000 1.058 189 L CA -0.388 54.472 54.840 0.032 0.000 0.809 189 L CB 0.582 42.677 42.059 0.060 0.000 1.179 189 L HN 0.494 nan 8.230 nan 0.000 0.429 190 R N 6.138 126.640 120.500 0.003 0.000 2.437 190 R HA 0.619 4.958 4.340 -0.001 0.000 0.310 190 R C -1.257 174.941 176.300 -0.170 0.000 0.955 190 R CA -0.798 55.224 56.100 -0.131 0.000 0.851 190 R CB 1.499 31.740 30.300 -0.099 0.000 1.161 190 R HN 0.610 nan 8.270 nan 0.000 0.446 191 L N 3.038 124.031 121.223 -0.383 0.000 2.331 191 L HA 0.570 4.909 4.340 -0.001 0.000 0.275 191 L C -0.629 176.023 176.870 -0.362 0.000 1.022 191 L CA -0.767 53.893 54.840 -0.300 0.000 0.812 191 L CB 0.930 42.597 42.059 -0.654 0.000 1.257 191 L HN 0.419 nan 8.230 nan 0.000 0.435 192 F N 2.195 122.214 119.950 0.115 0.000 2.444 192 F HA 0.461 4.988 4.527 -0.000 0.000 0.342 192 F C -1.920 174.003 175.800 0.205 0.000 1.121 192 F CA -2.088 56.004 58.000 0.152 0.000 0.997 192 F CB 1.488 40.589 39.000 0.168 0.000 1.130 192 F HN 0.249 nan 8.300 nan 0.000 0.454 193 P HA 0.100 nan 4.420 nan 0.000 0.274 193 P C -0.799 176.677 177.300 0.294 0.000 1.256 193 P CA -0.398 62.842 63.100 0.233 0.000 0.795 193 P CB 1.503 33.256 31.700 0.088 0.000 1.038 194 S N -0.096 115.766 115.700 0.270 0.000 2.482 194 S HA 0.406 4.875 4.470 -0.001 0.000 0.303 194 S C 1.090 175.798 174.600 0.181 0.000 1.091 194 S CA -0.855 57.492 58.200 0.245 0.000 1.057 194 S CB 0.118 63.542 63.200 0.374 0.000 1.031 194 S HN 0.284 nan 8.310 nan 0.000 0.485 195 I N 2.927 123.561 120.570 0.106 0.000 2.494 195 I HA 0.151 4.320 4.170 -0.001 0.000 0.250 195 I C -0.407 175.702 176.117 -0.013 0.000 1.112 195 I CA 0.610 61.947 61.300 0.060 0.000 1.438 195 I CB -0.026 37.978 38.000 0.006 0.000 1.111 195 I HN 0.398 nan 8.210 nan 0.000 0.431 196 L N -1.735 119.432 121.223 -0.093 0.000 2.403 196 L HA 0.501 4.840 4.340 -0.001 0.000 0.253 196 L C -2.682 174.083 176.870 -0.176 0.000 1.045 196 L CA -1.883 52.880 54.840 -0.128 0.000 0.845 196 L CB 0.205 42.075 42.059 -0.316 0.000 1.447 196 L HN -0.330 nan 8.230 nan 0.000 0.411 197 P HA 0.122 nan 4.420 nan 0.000 0.264 197 P C -0.127 176.948 177.300 -0.375 0.000 1.183 197 P CA 0.683 63.449 63.100 -0.557 0.000 0.763 197 P CB 0.130 31.613 31.700 -0.361 0.000 0.807 198 N N -0.496 117.996 118.700 -0.347 0.000 2.900 198 N HA -0.155 4.584 4.740 -0.001 0.000 0.240 198 N C -0.800 174.616 175.510 -0.158 0.000 0.953 198 N CA 0.612 53.584 53.050 -0.130 0.000 0.950 198 N CB -1.067 37.369 38.487 -0.086 0.000 1.102 198 N HN 0.139 nan 8.380 nan 0.000 0.593 199 V N 0.808 120.586 119.914 -0.227 0.000 2.315 199 V HA 0.333 4.452 4.120 -0.001 0.000 0.265 199 V C -2.118 173.843 176.094 -0.222 0.000 1.019 199 V CA -1.154 61.008 62.300 -0.231 0.000 0.824 199 V CB 0.974 32.609 31.823 -0.312 0.000 1.072 199 V HN -0.049 nan 8.190 nan 0.000 0.448 200 P HA 0.155 nan 4.420 nan 0.000 0.272 200 P C -0.187 177.069 177.300 -0.072 0.000 1.230 200 P CA -0.100 62.862 63.100 -0.230 0.000 0.788 200 P CB 0.836 32.167 31.700 -0.615 0.000 0.949 201 H N 0.151 119.235 119.070 0.023 0.000 2.771 201 H HA 0.042 4.598 4.556 -0.001 0.000 0.364 201 H C 1.678 177.067 175.328 0.102 0.000 1.133 201 H CA 0.911 56.999 56.048 0.067 0.000 1.423 201 H CB 0.756 30.588 29.762 0.117 0.000 1.425 201 H HN 0.260 nan 8.280 nan 0.000 0.606 202 S N 1.377 117.060 115.700 -0.028 0.000 2.428 202 S HA -0.070 4.400 4.470 -0.001 0.000 0.230 202 S C -0.110 174.655 174.600 0.276 0.000 1.014 202 S CA 0.668 58.897 58.200 0.048 0.000 0.957 202 S CB 0.019 63.165 63.200 -0.089 0.000 0.784 202 S HN 0.654 nan 8.310 nan 0.000 0.499 203 D N 2.337 122.925 120.400 0.313 0.000 2.192 203 D HA 0.366 5.006 4.640 -0.001 0.000 0.246 203 D C -2.632 173.726 176.300 0.097 0.000 1.042 203 D CA -1.616 52.480 54.000 0.159 0.000 0.847 203 D CB 1.559 42.205 40.800 -0.256 0.000 1.186 203 D HN 0.242 nan 8.370 nan 0.000 0.461 204 P HA 0.053 nan 4.420 nan 0.000 0.274 204 P C 0.277 177.423 177.300 -0.255 0.000 1.231 204 P CA -0.318 62.382 63.100 -0.667 0.000 0.790 204 P CB 1.054 32.232 31.700 -0.870 0.000 0.951 205 S N -0.049 115.507 115.700 -0.239 0.000 2.603 205 S HA 0.541 5.011 4.470 -0.001 0.000 0.232 205 S C 0.367 174.897 174.600 -0.117 0.000 1.016 205 S CA -0.211 57.919 58.200 -0.117 0.000 0.976 205 S CB -0.014 63.140 63.200 -0.078 0.000 0.921 205 S HN 0.710 nan 8.310 nan 0.000 0.516 206 A N 1.022 123.725 122.820 -0.196 0.000 2.520 206 A HA 0.788 5.108 4.320 -0.001 0.000 0.298 206 A C -1.099 176.350 177.584 -0.224 0.000 1.051 206 A CA -0.753 51.182 52.037 -0.170 0.000 0.690 206 A CB 1.673 20.549 19.000 -0.206 0.000 1.281 206 A HN 0.288 nan 8.150 nan 0.000 0.402 207 K N 2.327 122.648 120.400 -0.131 0.000 2.565 207 K HA 0.495 4.814 4.320 -0.001 0.000 0.249 207 K C -1.762 174.805 176.600 -0.055 0.000 0.958 207 K CA -0.546 55.672 56.287 -0.115 0.000 0.806 207 K CB 1.430 33.901 32.500 -0.049 0.000 1.194 207 K HN 0.661 nan 8.250 nan 0.000 0.434 208 L N 6.032 127.201 121.223 -0.091 0.000 2.260 208 L HA 0.358 4.697 4.340 -0.001 0.000 0.289 208 L C -0.884 175.968 176.870 -0.029 0.000 1.057 208 L CA -0.628 54.207 54.840 -0.009 0.000 0.811 208 L CB 1.425 43.480 42.059 -0.008 0.000 1.184 208 L HN 0.484 nan 8.230 nan 0.000 0.429 209 V N 7.465 127.387 119.914 0.013 0.000 2.339 209 V HA 0.263 4.382 4.120 -0.001 0.000 0.261 209 V C -1.948 174.125 176.094 -0.035 0.000 1.058 209 V CA -1.318 60.998 62.300 0.028 0.000 0.897 209 V CB 0.724 32.599 31.823 0.087 0.000 1.052 209 V HN 0.682 nan 8.190 nan 0.000 0.480 210 P HA 0.422 nan 4.420 nan 0.000 0.282 210 P C -0.611 176.569 177.300 -0.201 0.000 1.249 210 P CA -0.499 62.348 63.100 -0.422 0.000 0.806 210 P CB 1.120 31.989 31.700 -1.385 0.000 0.984 211 Q N 0.769 120.558 119.800 -0.018 0.000 2.427 211 Q HA 0.412 4.752 4.340 -0.001 0.000 0.232 211 Q C -0.469 175.638 176.000 0.178 0.000 1.018 211 Q CA -0.877 55.006 55.803 0.133 0.000 0.965 211 Q CB 0.415 29.275 28.738 0.203 0.000 1.232 211 Q HN 0.466 nan 8.270 nan 0.000 0.510 212 F N 1.697 121.715 119.950 0.113 0.000 2.518 212 F HA 0.024 4.550 4.527 -0.001 0.000 0.359 212 F C 1.220 177.098 175.800 0.131 0.000 1.118 212 F CA 0.869 58.940 58.000 0.119 0.000 1.287 212 F CB 0.189 39.253 39.000 0.106 0.000 1.132 212 F HN 0.814 nan 8.300 nan 0.000 0.587 213 N N 2.364 120.579 118.700 -0.808 0.000 2.800 213 N HA -0.304 4.435 4.740 -0.001 0.000 0.250 213 N C -0.380 175.064 175.510 -0.111 0.000 1.078 213 N CA 0.645 53.355 53.050 -0.567 0.000 0.804 213 N CB -0.717 37.451 38.487 -0.532 0.000 1.135 213 N HN 0.841 nan 8.380 nan 0.000 0.565 214 Q N 1.219 121.035 119.800 0.026 0.000 2.241 214 Q HA 0.565 4.905 4.340 -0.001 0.000 0.254 214 Q C -0.718 175.424 176.000 0.237 0.000 0.917 214 Q CA -0.513 55.367 55.803 0.128 0.000 0.919 214 Q CB 1.289 30.104 28.738 0.128 0.000 1.237 214 Q HN 0.398 nan 8.270 nan 0.000 0.434 215 I N 2.334 123.045 120.570 0.234 0.000 2.441 215 I HA 0.680 4.850 4.170 -0.001 0.000 0.295 215 I C -1.263 175.128 176.117 0.457 0.000 0.994 215 I CA -0.478 61.019 61.300 0.328 0.000 1.144 215 I CB 1.492 39.659 38.000 0.278 0.000 1.314 215 I HN 0.748 nan 8.210 nan 0.000 0.445 216 A N 6.971 130.086 122.820 0.492 0.000 2.355 216 A HA 0.901 5.220 4.320 -0.001 0.000 0.324 216 A C -1.220 176.626 177.584 0.436 0.000 1.117 216 A CA -0.395 51.894 52.037 0.420 0.000 0.785 216 A CB 0.981 20.234 19.000 0.423 0.000 1.254 216 A HN 0.747 nan 8.150 nan 0.000 0.453 217 F N -0.818 119.264 119.950 0.220 0.000 2.725 217 F HA 0.786 5.313 4.527 -0.001 0.000 0.309 217 F C -1.398 174.446 175.800 0.073 0.000 1.132 217 F CA -1.704 56.305 58.000 0.015 0.000 0.957 217 F CB 0.791 39.922 39.000 0.220 0.000 1.286 217 F HN 0.726 nan 8.300 nan 0.000 0.440 218 F N -0.361 119.761 119.950 0.286 0.000 2.654 218 F HA 0.593 5.120 4.527 -0.001 0.000 0.308 218 F C -0.941 174.971 175.800 0.188 0.000 1.108 218 F CA -1.494 56.629 58.000 0.205 0.000 0.957 218 F CB 1.627 40.795 39.000 0.280 0.000 1.309 218 F HN 0.790 nan 8.300 nan 0.000 0.446 219 K N 1.904 122.520 120.400 0.360 0.000 2.412 219 K HA 0.390 4.709 4.320 -0.001 0.000 0.281 219 K C -0.677 176.144 176.600 0.367 0.000 1.027 219 K CA -0.399 56.040 56.287 0.253 0.000 0.989 219 K CB 1.018 33.587 32.500 0.116 0.000 0.935 219 K HN 0.704 nan 8.250 nan 0.000 0.475 220 V N 6.453 126.560 119.914 0.321 0.000 2.540 220 V HA -0.003 4.117 4.120 -0.001 0.000 0.297 220 V C 0.179 176.420 176.094 0.244 0.000 1.024 220 V CA 0.391 62.883 62.300 0.320 0.000 1.105 220 V CB 0.176 32.195 31.823 0.325 0.000 0.938 220 V HN 0.630 nan 8.190 nan 0.000 0.482 221 L N 8.617 129.900 121.223 0.099 0.000 2.401 221 L HA 0.382 4.722 4.340 -0.001 0.000 0.263 221 L C -2.315 174.537 176.870 -0.029 0.000 1.004 221 L CA -1.804 53.084 54.840 0.079 0.000 0.881 221 L CB 2.176 44.241 42.059 0.011 0.000 1.219 221 L HN 0.446 nan 8.230 nan 0.000 0.441 222 P HA 0.033 nan 4.420 nan 0.000 0.258 222 P C 0.944 178.093 177.300 -0.252 0.000 1.187 222 P CA 0.974 63.956 63.100 -0.196 0.000 0.767 222 P CB 1.014 32.539 31.700 -0.291 0.000 0.770 223 G N 2.377 110.916 108.800 -0.435 0.000 2.213 223 G HA2 -0.310 3.650 3.960 -0.001 0.000 0.236 223 G HA3 -0.310 3.650 3.960 -0.001 0.000 0.236 223 G C 0.381 174.840 174.900 -0.735 0.000 0.991 223 G CA -0.065 44.697 45.100 -0.563 0.000 0.629 223 G HN 0.445 nan 8.290 nan 0.000 0.517 224 F N 1.156 120.898 119.950 -0.346 0.000 2.658 224 F HA 0.277 4.804 4.527 -0.000 0.000 0.293 224 F C 1.981 177.364 175.800 -0.695 0.000 0.986 224 F CA 0.753 58.577 58.000 -0.294 0.000 1.182 224 F CB 0.056 38.934 39.000 -0.203 0.000 0.965 224 F HN 0.251 nan 8.300 nan 0.000 0.659 225 S N 1.230 116.423 115.700 -0.846 0.000 3.864 225 S HA 0.192 4.661 4.470 -0.001 0.000 0.202 225 S C -0.321 173.805 174.600 -0.791 0.000 1.402 225 S CA -0.236 57.111 58.200 -1.422 0.000 1.072 225 S CB -1.993 60.653 63.200 -0.924 0.000 1.383 225 S HN 0.070 nan 8.310 nan 0.000 0.458 226 F N 3.817 123.610 119.950 -0.260 0.000 2.410 226 F HA 0.435 4.961 4.527 -0.001 0.000 0.348 226 F C 1.312 177.303 175.800 0.319 0.000 1.106 226 F CA -0.239 57.748 58.000 -0.022 0.000 1.163 226 F CB 0.744 39.691 39.000 -0.088 0.000 1.129 226 F HN 0.535 nan 8.300 nan 0.000 0.516 227 H N 0.900 120.096 119.070 0.211 0.000 3.017 227 H HA 0.583 5.139 4.556 -0.001 0.000 0.346 227 H C -1.989 173.496 175.328 0.261 0.000 1.286 227 H CA -1.238 54.990 56.048 0.301 0.000 1.120 227 H CB 1.934 31.756 29.762 0.101 0.000 1.860 227 H HN 0.547 nan 8.280 nan 0.000 0.542 228 D N -0.021 120.604 120.400 0.376 0.000 2.626 228 D HA 0.389 5.028 4.640 -0.001 0.000 0.278 228 D C -1.195 175.285 176.300 0.300 0.000 1.211 228 D CA -0.726 53.454 54.000 0.299 0.000 0.903 228 D CB 1.853 42.837 40.800 0.307 0.000 1.408 228 D HN 0.338 nan 8.370 nan 0.000 0.454 229 V N 0.848 120.911 119.914 0.249 0.000 2.347 229 V HA 0.271 4.391 4.120 -0.001 0.000 0.280 229 V C 0.473 176.677 176.094 0.183 0.000 1.021 229 V CA -0.851 61.546 62.300 0.162 0.000 0.847 229 V CB 0.804 32.644 31.823 0.028 0.000 0.990 229 V HN 0.623 nan 8.190 nan 0.000 0.444 230 E N 4.052 124.363 120.200 0.186 0.000 2.452 230 E HA -0.008 4.341 4.350 -0.001 0.000 0.261 230 E C 0.316 177.095 176.600 0.299 0.000 0.987 230 E CA -0.148 56.404 56.400 0.253 0.000 0.926 230 E CB 0.672 30.514 29.700 0.236 0.000 0.934 230 E HN 0.785 nan 8.360 nan 0.000 0.452 231 E N 2.719 123.156 120.200 0.395 0.000 2.534 231 E HA -0.056 4.294 4.350 -0.001 0.000 0.264 231 E C -0.815 176.031 176.600 0.410 0.000 0.981 231 E CA -0.245 56.436 56.400 0.468 0.000 0.948 231 E CB 0.719 30.786 29.700 0.611 0.000 0.934 231 E HN 0.260 nan 8.360 nan 0.000 0.459 232 V N 5.780 125.933 119.914 0.397 0.000 2.508 232 V HA 0.009 4.129 4.120 -0.001 0.000 0.281 232 V C 1.058 177.315 176.094 0.270 0.000 1.041 232 V CA 0.441 62.950 62.300 0.347 0.000 1.016 232 V CB 1.184 33.230 31.823 0.372 0.000 0.984 232 V HN 0.750 nan 8.190 nan 0.000 0.478 233 K N 2.949 123.457 120.400 0.180 0.000 2.354 233 K HA 0.207 4.527 4.320 -0.001 0.000 0.194 233 K C 0.219 176.856 176.600 0.062 0.000 1.045 233 K CA 0.324 56.684 56.287 0.122 0.000 1.026 233 K CB 1.074 33.580 32.500 0.009 0.000 0.866 233 K HN 0.692 nan 8.250 nan 0.000 0.530 234 V N -2.285 117.626 119.914 -0.005 0.000 3.158 234 V HA 0.368 4.488 4.120 -0.001 0.000 0.315 234 V C -0.488 175.554 176.094 -0.087 0.000 1.148 234 V CA -1.081 61.171 62.300 -0.081 0.000 1.042 234 V CB 1.859 33.542 31.823 -0.233 0.000 1.101 234 V HN -0.098 nan 8.190 nan 0.000 0.448 235 D N 2.031 122.376 120.400 -0.093 0.000 2.608 235 D HA 0.313 4.952 4.640 -0.001 0.000 0.224 235 D C -0.241 176.032 176.300 -0.046 0.000 1.123 235 D CA 0.217 54.192 54.000 -0.042 0.000 1.030 235 D CB -0.100 40.694 40.800 -0.009 0.000 1.093 235 D HN 0.576 nan 8.370 nan 0.000 0.497 236 K N 0.869 121.251 120.400 -0.030 0.000 2.495 236 K HA 0.344 4.663 4.320 -0.001 0.000 0.268 236 K C -0.480 176.260 176.600 0.234 0.000 1.008 236 K CA -0.818 55.528 56.287 0.098 0.000 0.882 236 K CB 2.126 34.546 32.500 -0.133 0.000 1.443 236 K HN 0.265 nan 8.250 nan 0.000 0.447 237 H N 1.365 120.553 119.070 0.197 0.000 2.551 237 H HA 0.226 4.782 4.556 -0.001 0.000 0.321 237 H C -0.513 174.925 175.328 0.184 0.000 1.028 237 H CA -0.677 55.468 56.048 0.162 0.000 1.215 237 H CB 1.829 31.636 29.762 0.075 0.000 1.414 237 H HN 0.056 nan 8.280 nan 0.000 0.480 238 R N 3.676 124.281 120.500 0.175 0.000 2.239 238 R HA 0.143 4.483 4.340 -0.001 0.000 0.332 238 R C -0.873 175.415 176.300 -0.020 0.000 0.988 238 R CA -0.987 55.060 56.100 -0.088 0.000 0.859 238 R CB 0.668 30.706 30.300 -0.437 0.000 1.148 238 R HN 0.387 nan 8.270 nan 0.000 0.482 239 L N 3.276 124.492 121.223 -0.011 0.000 2.350 239 L HA 0.417 4.756 4.340 -0.001 0.000 0.275 239 L C -0.569 176.296 176.870 -0.008 0.000 1.099 239 L CA 0.403 55.227 54.840 -0.027 0.000 0.808 239 L CB 1.485 43.551 42.059 0.012 0.000 1.149 239 L HN 0.727 nan 8.230 nan 0.000 0.442 240 S N 4.104 119.786 115.700 -0.030 0.000 2.550 240 S HA 0.658 5.127 4.470 -0.001 0.000 0.270 240 S C -0.921 173.639 174.600 -0.068 0.000 1.145 240 S CA -0.844 57.296 58.200 -0.099 0.000 0.852 240 S CB 0.836 63.907 63.200 -0.214 0.000 1.119 240 S HN 0.508 nan 8.310 nan 0.000 0.465 241 I N 2.174 122.680 120.570 -0.108 0.000 2.359 241 I HA 0.349 4.519 4.170 -0.001 0.000 0.284 241 I C -0.402 175.605 176.117 -0.183 0.000 1.018 241 I CA -0.422 60.851 61.300 -0.045 0.000 1.173 241 I CB 1.523 39.557 38.000 0.056 0.000 1.326 241 I HN 0.597 nan 8.210 nan 0.000 0.462 242 Q N 3.866 123.506 119.800 -0.268 0.000 2.259 242 Q HA 0.734 5.074 4.340 -0.001 0.000 0.249 242 Q C 0.157 175.613 176.000 -0.906 0.000 0.914 242 Q CA -0.127 55.318 55.803 -0.597 0.000 0.904 242 Q CB 1.948 30.410 28.738 -0.459 0.000 1.213 242 Q HN 0.799 nan 8.270 nan 0.000 0.428 243 G N 0.677 108.392 108.800 -1.808 0.000 2.649 243 G HA2 0.638 4.597 3.960 -0.001 0.000 0.290 243 G HA3 0.638 4.597 3.960 -0.001 0.000 0.290 243 G C -1.974 171.698 174.900 -2.047 0.000 1.426 243 G CA -0.636 43.362 45.100 -1.837 0.000 0.794 243 G HN 0.371 nan 8.290 nan 0.000 0.483 244 W N -0.179 120.790 121.300 -0.551 0.000 3.022 244 W HA 0.467 5.126 4.660 -0.000 0.000 0.335 244 W C -1.485 174.999 176.519 -0.057 0.000 1.133 244 W CA -0.945 56.248 57.345 -0.254 0.000 1.219 244 W CB 2.154 31.484 29.460 -0.216 0.000 1.409 244 W HN 0.428 nan 8.180 nan 0.000 0.507 245 Y N 1.527 122.039 120.300 0.353 0.000 2.323 245 Y HA 0.318 4.868 4.550 -0.001 0.000 0.331 245 Y C 0.994 176.984 175.900 0.151 0.000 1.092 245 Y CA -0.148 58.151 58.100 0.332 0.000 1.150 245 Y CB 1.180 39.781 38.460 0.235 0.000 1.200 245 Y HN 0.165 nan 8.280 nan 0.000 0.472 246 H N 2.550 121.830 119.070 0.350 0.000 2.595 246 H HA 0.389 4.945 4.556 -0.001 0.000 0.346 246 H C -0.220 175.181 175.328 0.122 0.000 1.181 246 H CA -1.015 55.148 56.048 0.192 0.000 1.242 246 H CB 1.752 31.601 29.762 0.145 0.000 1.652 246 H HN 0.527 nan 8.280 nan 0.000 0.548 247 I N 3.052 123.704 120.570 0.138 0.000 2.906 247 I HA -0.107 4.062 4.170 -0.001 0.000 0.302 247 I C -1.953 174.249 176.117 0.141 0.000 1.220 247 I CA -1.046 60.287 61.300 0.055 0.000 1.441 247 I CB -0.123 37.862 38.000 -0.025 0.000 1.336 247 I HN 0.222 nan 8.210 nan 0.000 0.565 248 P HA -0.059 nan 4.420 nan 0.000 0.261 248 P C -0.690 176.751 177.300 0.236 0.000 1.173 248 P CA 0.208 63.410 63.100 0.169 0.000 0.760 248 P CB 0.340 32.136 31.700 0.160 0.000 0.783 249 Q N 1.394 121.281 119.800 0.144 0.000 2.249 249 Q HA 0.231 4.571 4.340 -0.001 0.000 0.226 249 Q C 0.039 175.894 176.000 -0.241 0.000 0.983 249 Q CA -0.905 54.925 55.803 0.046 0.000 0.930 249 Q CB 0.783 29.510 28.738 -0.018 0.000 1.193 249 Q HN 0.232 nan 8.270 nan 0.000 0.508 250 V N 0.994 120.496 119.914 -0.686 0.000 2.584 250 V HA 0.222 4.341 4.120 -0.001 0.000 0.303 250 V C 1.161 176.924 176.094 -0.552 0.000 1.035 250 V CA 2.321 63.838 62.300 -1.305 0.000 1.172 250 V CB -0.331 30.968 31.823 -0.874 0.000 0.896 250 V HN 1.036 nan 8.190 nan 0.000 0.486 251 G N 4.270 112.814 108.800 -0.425 0.000 2.308 251 G HA2 -0.199 3.761 3.960 -0.001 0.000 0.221 251 G HA3 -0.199 3.761 3.960 -0.001 0.000 0.221 251 G C 0.151 175.020 174.900 -0.052 0.000 1.032 251 G CA 0.258 45.266 45.100 -0.153 0.000 0.623 251 G HN 0.779 nan 8.290 nan 0.000 0.506 252 E N 1.156 121.336 120.200 -0.034 0.000 2.371 252 E HA 0.428 4.778 4.350 -0.001 0.000 0.257 252 E C 0.149 176.800 176.600 0.085 0.000 1.134 252 E CA -0.559 55.864 56.400 0.038 0.000 0.919 252 E CB 0.776 30.510 29.700 0.056 0.000 1.025 252 E HN 0.412 nan 8.360 nan 0.000 0.438 253 E N 0.009 120.254 120.200 0.074 0.000 2.652 253 E HA -0.068 4.281 4.350 -0.001 0.000 0.255 253 E C 0.557 177.212 176.600 0.092 0.000 0.952 253 E CA 0.943 57.387 56.400 0.074 0.000 0.947 253 E CB 0.061 29.796 29.700 0.058 0.000 0.912 253 E HN 0.786 nan 8.360 nan 0.000 0.489 254 G N 3.579 112.432 108.800 0.088 0.000 2.143 254 G HA2 -0.349 3.610 3.960 -0.001 0.000 0.249 254 G HA3 -0.349 3.610 3.960 -0.001 0.000 0.249 254 G C -0.113 174.840 174.900 0.089 0.000 0.981 254 G CA 0.325 45.465 45.100 0.067 0.000 0.665 254 G HN 0.681 nan 8.290 nan 0.000 0.528 255 Y N 0.490 120.798 120.300 0.013 0.000 2.526 255 Y HA 0.511 5.060 4.550 -0.001 0.000 0.330 255 Y C 0.488 176.395 175.900 0.011 0.000 1.156 255 Y CA -0.026 58.083 58.100 0.014 0.000 1.419 255 Y CB 0.308 38.779 38.460 0.018 0.000 1.250 255 Y HN 0.182 nan 8.280 nan 0.000 0.540 256 I N 9.047 129.200 120.570 -0.695 0.000 2.447 256 I HA 0.316 4.485 4.170 -0.001 0.000 0.287 256 I C -2.341 173.247 176.117 -0.880 0.000 1.023 256 I CA -2.453 58.492 61.300 -0.591 0.000 1.083 256 I CB 1.808 39.652 38.000 -0.260 0.000 1.245 256 I HN 0.556 nan 8.210 nan 0.000 0.434 257 P HA 0.146 nan 4.420 nan 0.000 0.267 257 P C 0.883 178.072 177.300 -0.185 0.000 1.205 257 P CA 0.467 63.331 63.100 -0.393 0.000 0.765 257 P CB 0.737 32.384 31.700 -0.090 0.000 0.828 258 G N 2.039 110.792 108.800 -0.079 0.000 2.205 258 G HA2 -0.336 3.623 3.960 -0.001 0.000 0.261 258 G HA3 -0.336 3.623 3.960 -0.001 0.000 0.261 258 G C 1.072 175.971 174.900 -0.002 0.000 0.980 258 G CA 0.496 45.589 45.100 -0.012 0.000 0.632 258 G HN 0.564 nan 8.290 nan 0.000 0.533 259 E N 0.381 120.548 120.200 -0.055 0.000 2.017 259 E HA -0.152 4.198 4.350 -0.001 0.000 0.193 259 E C 2.089 178.735 176.600 0.076 0.000 0.997 259 E CA 1.453 57.846 56.400 -0.011 0.000 0.804 259 E CB -0.222 29.428 29.700 -0.084 0.000 0.757 259 E HN 0.647 nan 8.360 nan 0.000 0.448 260 E N 0.332 120.576 120.200 0.074 0.000 2.085 260 E HA -0.282 4.067 4.350 -0.001 0.000 0.194 260 E C 1.996 178.714 176.600 0.196 0.000 0.994 260 E CA 1.848 58.336 56.400 0.145 0.000 0.801 260 E CB -0.082 29.704 29.700 0.144 0.000 0.743 260 E HN 0.407 nan 8.360 nan 0.000 0.453 261 E N 0.315 120.598 120.200 0.138 0.000 2.107 261 E HA -0.114 4.236 4.350 -0.001 0.000 0.191 261 E C 1.986 178.655 176.600 0.115 0.000 0.982 261 E CA 1.156 57.626 56.400 0.117 0.000 0.809 261 E CB -0.366 29.385 29.700 0.084 0.000 0.756 261 E HN 0.271 nan 8.360 nan 0.000 0.459 262 A N 1.916 124.807 122.820 0.119 0.000 1.873 262 A HA -0.206 4.113 4.320 -0.001 0.000 0.218 262 A C 2.144 179.817 177.584 0.149 0.000 1.193 262 A CA 1.525 53.628 52.037 0.111 0.000 0.629 262 A CB -1.640 17.424 19.000 0.108 0.000 0.826 262 A HN 0.710 nan 8.150 nan 0.000 0.447 263 W N 0.822 122.129 121.300 0.012 0.000 2.315 263 W HA -0.231 4.429 4.660 -0.000 0.000 0.323 263 W C 1.959 178.485 176.519 0.013 0.000 1.233 263 W CA 2.591 59.945 57.345 0.014 0.000 1.267 263 W CB -0.512 28.962 29.460 0.023 0.000 1.160 263 W HN 0.219 nan 8.180 nan 0.000 0.474 264 V N 1.241 121.269 119.914 0.190 0.000 2.287 264 V HA -0.320 3.800 4.120 -0.001 0.000 0.248 264 V C 2.674 178.750 176.094 -0.030 0.000 1.053 264 V CA 2.357 64.695 62.300 0.063 0.000 1.027 264 V CB -1.091 30.804 31.823 0.120 0.000 0.646 264 V HN 0.179 nan 8.190 nan 0.000 0.447 265 R N 0.219 120.719 120.500 -0.001 0.000 2.080 265 R HA -0.234 4.105 4.340 -0.001 0.000 0.236 265 R C 2.402 178.660 176.300 -0.070 0.000 1.137 265 R CA 2.193 58.280 56.100 -0.022 0.000 0.943 265 R CB -0.610 29.691 30.300 0.002 0.000 0.846 265 R HN 0.645 nan 8.270 nan 0.000 0.431 266 N N 0.263 118.902 118.700 -0.101 0.000 2.094 266 N HA -0.173 4.567 4.740 -0.001 0.000 0.191 266 N C 0.584 175.967 175.510 -0.212 0.000 1.023 266 N CA 1.316 54.274 53.050 -0.153 0.000 0.857 266 N CB -0.100 38.278 38.487 -0.183 0.000 1.013 266 N HN 0.288 nan 8.380 nan 0.000 0.426 267 N N -0.175 118.352 118.700 -0.289 0.000 2.383 267 N HA -0.017 4.722 4.740 -0.001 0.000 0.192 267 N C 0.911 176.326 175.510 -0.158 0.000 1.141 267 N CA 0.619 53.501 53.050 -0.280 0.000 0.851 267 N CB 0.682 38.925 38.487 -0.407 0.000 0.976 267 N HN 0.511 nan 8.380 nan 0.000 0.465 268 T N -2.732 111.754 114.554 -0.112 0.000 3.257 268 T HA 0.046 4.395 4.350 -0.001 0.000 0.176 268 T C 1.958 176.626 174.700 -0.054 0.000 0.892 268 T CA 0.643 62.702 62.100 -0.069 0.000 1.147 268 T CB -0.641 68.199 68.868 -0.046 0.000 1.840 268 T HN 0.027 nan 8.240 nan 0.000 0.375 269 S N 1.686 117.360 115.700 -0.042 0.000 2.374 269 S HA -0.185 4.284 4.470 -0.001 0.000 0.227 269 S C 2.312 176.889 174.600 -0.038 0.000 1.037 269 S CA 2.298 60.477 58.200 -0.034 0.000 1.024 269 S CB -1.705 61.480 63.200 -0.024 0.000 0.861 269 S HN 0.864 nan 8.310 nan 0.000 0.456 270 T N 0.300 114.826 114.554 -0.046 0.000 3.023 270 T HA 0.206 4.555 4.350 -0.001 0.000 0.266 270 T C 1.677 176.345 174.700 -0.053 0.000 1.093 270 T CA 0.552 62.625 62.100 -0.046 0.000 1.129 270 T CB -0.486 68.356 68.868 -0.045 0.000 0.899 270 T HN 0.390 nan 8.240 nan 0.000 0.491 271 L N 0.448 121.630 121.223 -0.067 0.000 2.056 271 L HA 0.113 4.452 4.340 -0.001 0.000 0.207 271 L C 2.972 179.817 176.870 -0.042 0.000 1.078 271 L CA 1.555 56.356 54.840 -0.065 0.000 0.749 271 L CB -0.881 41.128 42.059 -0.083 0.000 0.901 271 L HN 0.450 nan 8.230 nan 0.000 0.433 272 A N -0.596 122.200 122.820 -0.040 0.000 1.972 272 A HA -0.291 4.029 4.320 -0.001 0.000 0.219 272 A C 2.075 179.639 177.584 -0.033 0.000 1.169 272 A CA 1.803 53.819 52.037 -0.034 0.000 0.635 272 A CB -0.444 18.536 19.000 -0.033 0.000 0.810 272 A HN 0.552 nan 8.150 nan 0.000 0.446 273 Q N 0.136 119.916 119.800 -0.033 0.000 2.079 273 Q HA -0.031 4.309 4.340 -0.001 0.000 0.200 273 Q C 1.670 177.653 176.000 -0.029 0.000 0.974 273 Q CA 1.828 57.613 55.803 -0.030 0.000 0.840 273 Q CB -0.422 28.300 28.738 -0.028 0.000 0.898 273 Q HN 0.663 nan 8.270 nan 0.000 0.430 274 I N 0.391 120.945 120.570 -0.026 0.000 2.546 274 I HA -0.169 4.001 4.170 -0.001 0.000 0.255 274 I C 2.154 178.263 176.117 -0.013 0.000 1.163 274 I CA 1.007 62.297 61.300 -0.017 0.000 1.457 274 I CB -0.235 37.756 38.000 -0.014 0.000 1.092 274 I HN 0.307 nan 8.210 nan 0.000 0.434 275 E N 1.341 121.530 120.200 -0.018 0.000 2.023 275 E HA -0.203 4.146 4.350 -0.001 0.000 0.196 275 E C 2.182 178.755 176.600 -0.046 0.000 1.003 275 E CA 2.248 58.636 56.400 -0.020 0.000 0.809 275 E CB -0.175 29.512 29.700 -0.021 0.000 0.755 275 E HN 0.258 nan 8.360 nan 0.000 0.449 276 S N 0.399 116.069 115.700 -0.050 0.000 2.387 276 S HA -0.057 4.413 4.470 -0.001 0.000 0.226 276 S C 1.658 176.216 174.600 -0.071 0.000 1.026 276 S CA 0.943 59.105 58.200 -0.063 0.000 0.972 276 S CB -0.389 62.779 63.200 -0.053 0.000 0.814 276 S HN 0.315 nan 8.310 nan 0.000 0.477 277 N N 0.660 119.325 118.700 -0.058 0.000 2.188 277 N HA -0.005 4.735 4.740 -0.001 0.000 0.184 277 N C 1.418 176.877 175.510 -0.084 0.000 1.018 277 N CA 1.108 54.122 53.050 -0.059 0.000 0.858 277 N CB -0.040 38.425 38.487 -0.038 0.000 0.989 277 N HN 0.280 nan 8.380 nan 0.000 0.426 278 V N -0.995 118.868 119.914 -0.085 0.000 3.261 278 V HA 0.094 4.213 4.120 -0.001 0.000 0.212 278 V C 1.697 177.666 176.094 -0.209 0.000 1.381 278 V CA -0.038 62.189 62.300 -0.121 0.000 1.322 278 V CB -0.059 31.773 31.823 0.015 0.000 1.188 278 V HN -0.034 nan 8.190 nan 0.000 0.520 279 L N 1.776 122.978 121.223 -0.035 0.000 2.046 279 L HA -0.148 4.192 4.340 -0.001 0.000 0.208 279 L C 2.666 179.499 176.870 -0.061 0.000 1.077 279 L CA 2.527 57.424 54.840 0.094 0.000 0.747 279 L CB -1.088 41.044 42.059 0.120 0.000 0.896 279 L HN 0.718 nan 8.230 nan 0.000 0.432 280 E N -1.212 118.901 120.200 -0.146 0.000 2.219 280 E HA -0.273 4.076 4.350 -0.001 0.000 0.198 280 E C 1.229 177.627 176.600 -0.335 0.000 0.998 280 E CA 1.448 57.728 56.400 -0.201 0.000 0.818 280 E CB -0.445 29.150 29.700 -0.175 0.000 0.741 280 E HN 0.416 nan 8.360 nan 0.000 0.477 281 D N 0.477 120.589 120.400 -0.481 0.000 2.221 281 D HA -0.135 4.504 4.640 -0.001 0.000 0.204 281 D C 0.802 176.673 176.300 -0.714 0.000 0.982 281 D CA 0.902 54.508 54.000 -0.656 0.000 0.857 281 D CB -0.223 40.099 40.800 -0.796 0.000 0.934 281 D HN 0.355 nan 8.370 nan 0.000 0.475 282 F N 0.815 120.629 119.950 -0.227 0.000 2.660 282 F HA 0.254 4.781 4.527 -0.000 0.000 0.302 282 F C 0.714 176.383 175.800 -0.217 0.000 1.103 282 F CA -0.317 57.586 58.000 -0.163 0.000 1.340 282 F CB -0.326 38.621 39.000 -0.089 0.000 1.048 282 F HN -0.286 nan 8.300 nan 0.000 0.551 283 E N 0.502 120.523 120.200 -0.299 0.000 2.283 283 E HA 0.448 4.797 4.350 -0.001 0.000 0.278 283 E C -1.137 175.096 176.600 -0.612 0.000 1.027 283 E CA -0.261 55.955 56.400 -0.307 0.000 0.843 283 E CB 0.995 30.523 29.700 -0.286 0.000 1.062 283 E HN 0.012 nan 8.360 nan 0.000 0.401 284 F N 3.196 123.046 119.950 -0.167 0.000 2.574 284 F HA 0.309 4.836 4.527 -0.000 0.000 0.313 284 F C -2.212 173.467 175.800 -0.202 0.000 1.130 284 F CA -2.338 55.599 58.000 -0.106 0.000 0.936 284 F CB 1.780 40.801 39.000 0.036 0.000 1.219 284 F HN 0.285 nan 8.300 nan 0.000 0.445 285 P HA 0.136 nan 4.420 nan 0.000 0.274 285 P C -0.844 176.329 177.300 -0.212 0.000 1.237 285 P CA -0.578 62.421 63.100 -0.169 0.000 0.793 285 P CB 0.918 32.337 31.700 -0.469 0.000 0.977 286 K N 1.211 121.484 120.400 -0.211 0.000 2.295 286 K HA 0.097 4.416 4.320 -0.001 0.000 0.270 286 K C 0.162 176.669 176.600 -0.156 0.000 1.011 286 K CA -0.031 56.113 56.287 -0.238 0.000 0.953 286 K CB 0.109 32.468 32.500 -0.235 0.000 0.956 286 K HN 0.410 nan 8.250 nan 0.000 0.477 287 D N 3.109 123.424 120.400 -0.143 0.000 2.713 287 D HA 0.065 4.705 4.640 -0.001 0.000 0.229 287 D C -0.721 175.535 176.300 -0.073 0.000 1.136 287 D CA 0.127 54.067 54.000 -0.101 0.000 1.010 287 D CB -0.110 40.634 40.800 -0.093 0.000 1.084 287 D HN 0.314 nan 8.370 nan 0.000 0.495 288 E N 0.759 120.920 120.200 -0.066 0.000 2.340 288 E HA 0.501 4.851 4.350 -0.001 0.000 0.273 288 E C -0.336 176.250 176.600 -0.024 0.000 0.891 288 E CA -0.888 55.489 56.400 -0.040 0.000 0.757 288 E CB 2.320 31.992 29.700 -0.046 0.000 1.231 288 E HN 0.064 nan 8.360 nan 0.000 0.439 289 R N 1.282 121.780 120.500 -0.004 0.000 2.740 289 R HA 0.420 4.760 4.340 -0.001 0.000 0.282 289 R C -0.792 175.527 176.300 0.032 0.000 0.969 289 R CA -0.767 55.338 56.100 0.008 0.000 0.918 289 R CB 1.520 31.828 30.300 0.012 0.000 1.175 289 R HN 0.455 nan 8.270 nan 0.000 0.464 290 N N 1.956 120.685 118.700 0.048 0.000 2.473 290 N HA 0.295 5.035 4.740 -0.001 0.000 0.291 290 N C -0.163 175.398 175.510 0.085 0.000 1.083 290 N CA -0.721 52.366 53.050 0.062 0.000 0.951 290 N CB 1.249 39.776 38.487 0.067 0.000 1.164 290 N HN 0.449 nan 8.380 nan 0.000 0.480 291 I N -0.656 119.962 120.570 0.080 0.000 2.638 291 I HA 0.251 4.420 4.170 -0.001 0.000 0.286 291 I C -0.381 175.804 176.117 0.114 0.000 1.088 291 I CA -0.640 60.718 61.300 0.097 0.000 1.397 291 I CB 0.465 38.511 38.000 0.077 0.000 1.414 291 I HN 0.248 nan 8.210 nan 0.000 0.566 292 L N 4.742 126.050 121.223 0.141 0.000 2.456 292 L HA 0.336 4.676 4.340 -0.001 0.000 0.257 292 L C 1.007 177.952 176.870 0.126 0.000 1.162 292 L CA -0.559 54.370 54.840 0.148 0.000 0.808 292 L CB 1.132 43.310 42.059 0.198 0.000 1.136 292 L HN 0.936 nan 8.230 nan 0.000 0.466 293 S N -0.165 115.602 115.700 0.112 0.000 2.624 293 S HA 0.103 4.573 4.470 -0.001 0.000 0.263 293 S C 0.689 175.382 174.600 0.156 0.000 1.287 293 S CA -0.397 57.880 58.200 0.129 0.000 0.990 293 S CB 0.560 63.830 63.200 0.117 0.000 0.950 293 S HN 0.488 nan 8.310 nan 0.000 0.561 294 F N 1.126 121.077 119.950 0.002 0.000 2.293 294 F HA 0.014 4.541 4.527 -0.001 0.000 0.300 294 F C 2.283 178.054 175.800 -0.048 0.000 1.086 294 F CA 1.583 59.566 58.000 -0.027 0.000 1.375 294 F CB -0.992 38.000 39.000 -0.014 0.000 1.045 294 F HN 0.970 nan 8.300 nan 0.000 0.516 295 H N -0.065 118.952 119.070 -0.087 0.000 2.352 295 H HA -0.146 4.410 4.556 -0.001 0.000 0.299 295 H C 2.059 177.226 175.328 -0.270 0.000 1.097 295 H CA 2.514 58.460 56.048 -0.170 0.000 1.311 295 H CB -0.162 29.559 29.762 -0.069 0.000 1.377 295 H HN 0.405 nan 8.280 nan 0.000 0.504 296 E N -0.388 119.564 120.200 -0.412 0.000 2.028 296 E HA -0.113 4.236 4.350 -0.001 0.000 0.190 296 E C 2.494 178.341 176.600 -1.254 0.000 0.984 296 E CA 1.270 57.192 56.400 -0.797 0.000 0.800 296 E CB 0.003 29.470 29.700 -0.389 0.000 0.758 296 E HN 0.287 nan 8.360 nan 0.000 0.448 297 V N 1.925 121.452 119.914 -0.645 0.000 2.287 297 V HA -0.306 3.813 4.120 -0.001 0.000 0.248 297 V C 2.176 177.984 176.094 -0.475 0.000 1.053 297 V CA 1.860 63.921 62.300 -0.398 0.000 1.027 297 V CB -0.483 31.301 31.823 -0.065 0.000 0.646 297 V HN 0.208 nan 8.190 nan 0.000 0.447 298 K N -0.932 119.075 120.400 -0.656 0.000 2.032 298 K HA -0.227 4.093 4.320 -0.001 0.000 0.209 298 K C 2.163 178.471 176.600 -0.487 0.000 1.048 298 K CA 2.033 57.951 56.287 -0.614 0.000 0.927 298 K CB -0.349 31.694 32.500 -0.761 0.000 0.712 298 K HN 0.567 nan 8.250 nan 0.000 0.441 299 H N -0.215 118.478 119.070 -0.628 0.000 2.290 299 H HA -0.124 4.431 4.556 -0.001 0.000 0.298 299 H C 1.892 177.068 175.328 -0.253 0.000 1.087 299 H CA 2.343 58.099 56.048 -0.487 0.000 1.291 299 H CB -0.176 29.209 29.762 -0.628 0.000 1.369 299 H HN 0.175 nan 8.280 nan 0.000 0.492 300 F N 0.503 120.390 119.950 -0.106 0.000 2.095 300 F HA -0.208 4.318 4.527 -0.001 0.000 0.298 300 F C 2.555 178.277 175.800 -0.130 0.000 1.104 300 F CA 0.910 58.830 58.000 -0.133 0.000 1.232 300 F CB -0.261 38.648 39.000 -0.151 0.000 0.987 300 F HN 0.238 nan 8.300 nan 0.000 0.475 301 E N 0.722 120.935 120.200 0.022 0.000 2.023 301 E HA -0.203 4.147 4.350 -0.001 0.000 0.196 301 E C 1.304 177.871 176.600 -0.056 0.000 1.003 301 E CA 0.861 57.242 56.400 -0.031 0.000 0.809 301 E CB -0.180 29.475 29.700 -0.074 0.000 0.755 301 E HN 0.202 nan 8.360 nan 0.000 0.449 329 K N -0.245 120.204 120.400 0.080 0.000 2.494 329 K HA 0.452 4.771 4.320 -0.001 0.000 0.201 329 K C 0.230 176.820 176.600 -0.017 0.000 1.338 329 K CA 0.305 56.611 56.287 0.032 0.000 0.935 329 K CB 1.093 33.618 32.500 0.042 0.000 1.514 329 K HN 0.246 nan 8.250 nan 0.000 0.490 330 L N 3.249 124.431 121.223 -0.069 0.000 2.309 330 L HA 0.306 4.645 4.340 -0.001 0.000 0.282 330 L C 0.898 177.710 176.870 -0.098 0.000 1.036 330 L CA -0.183 54.509 54.840 -0.245 0.000 0.806 330 L CB 1.372 42.940 42.059 -0.819 0.000 1.220 330 L HN 0.229 nan 8.230 nan 0.000 0.429 331 S N 2.079 117.743 115.700 -0.059 0.000 2.606 331 S HA 0.143 4.612 4.470 -0.001 0.000 0.257 331 S C 0.961 175.638 174.600 0.128 0.000 1.327 331 S CA -0.309 57.918 58.200 0.045 0.000 0.984 331 S CB 0.859 64.076 63.200 0.029 0.000 0.941 331 S HN 0.623 nan 8.310 nan 0.000 0.576 332 E N 0.728 121.031 120.200 0.171 0.000 2.072 332 E HA -0.064 4.286 4.350 -0.001 0.000 0.191 332 E C 2.392 179.090 176.600 0.163 0.000 0.985 332 E CA 1.041 57.571 56.400 0.215 0.000 0.801 332 E CB -0.526 29.254 29.700 0.134 0.000 0.750 332 E HN 0.786 nan 8.360 nan 0.000 0.452 333 A N 1.480 124.360 122.820 0.100 0.000 1.948 333 A HA -0.284 4.035 4.320 -0.001 0.000 0.220 333 A C 1.905 179.547 177.584 0.097 0.000 1.177 333 A CA 1.705 53.793 52.037 0.085 0.000 0.636 333 A CB -0.409 18.622 19.000 0.050 0.000 0.815 333 A HN 0.192 nan 8.150 nan 0.000 0.449 334 E N -1.416 118.807 120.200 0.039 0.000 2.046 334 E HA -0.091 4.259 4.350 -0.001 0.000 0.190 334 E C 1.681 178.277 176.600 -0.006 0.000 0.982 334 E CA 1.006 57.392 56.400 -0.024 0.000 0.800 334 E CB -0.256 29.348 29.700 -0.160 0.000 0.756 334 E HN 0.646 nan 8.360 nan 0.000 0.449 335 F N 1.281 121.270 119.950 0.065 0.000 2.126 335 F HA -0.205 4.322 4.527 -0.001 0.000 0.299 335 F C 2.604 178.422 175.800 0.030 0.000 1.096 335 F CA 1.377 59.396 58.000 0.031 0.000 1.255 335 F CB -0.877 38.129 39.000 0.010 0.000 0.997 335 F HN -0.021 nan 8.300 nan 0.000 0.479 336 T N -0.983 113.708 114.554 0.228 0.000 2.684 336 T HA -0.303 4.047 4.350 -0.001 0.000 0.267 336 T C 1.716 176.493 174.700 0.128 0.000 1.036 336 T CA 1.823 64.007 62.100 0.139 0.000 1.148 336 T CB -0.795 68.144 68.868 0.118 0.000 0.863 336 T HN 0.371 nan 8.240 nan 0.000 0.436 337 Y N 1.567 121.908 120.300 0.067 0.000 2.163 337 Y HA -0.021 4.529 4.550 -0.001 0.000 0.288 337 Y C 2.044 178.037 175.900 0.155 0.000 1.136 337 Y CA 1.072 59.229 58.100 0.094 0.000 1.147 337 Y CB -0.452 38.056 38.460 0.079 0.000 0.987 337 Y HN 0.098 nan 8.280 nan 0.000 0.509 338 L N -0.089 121.256 121.223 0.205 0.000 2.083 338 L HA -0.228 4.112 4.340 -0.001 0.000 0.209 338 L C 2.697 179.534 176.870 -0.055 0.000 1.083 338 L CA 1.672 56.597 54.840 0.142 0.000 0.752 338 L CB -0.820 41.259 42.059 0.034 0.000 0.899 338 L HN 0.391 nan 8.230 nan 0.000 0.433 339 S N -1.109 114.565 115.700 -0.043 0.000 2.481 339 S HA -0.179 4.291 4.470 -0.001 0.000 0.231 339 S C 1.781 176.261 174.600 -0.200 0.000 0.996 339 S CA 0.570 58.709 58.200 -0.103 0.000 0.942 339 S CB -0.244 62.932 63.200 -0.039 0.000 0.768 339 S HN 0.476 nan 8.310 nan 0.000 0.520 340 Q N -0.911 118.740 119.800 -0.248 0.000 2.291 340 Q HA -0.062 4.278 4.340 -0.001 0.000 0.206 340 Q C 0.977 176.621 176.000 -0.592 0.000 0.976 340 Q CA 1.562 57.149 55.803 -0.361 0.000 0.875 340 Q CB -0.139 28.394 28.738 -0.341 0.000 0.927 340 Q HN 0.813 nan 8.270 nan 0.000 0.450 341 Y N -1.299 118.601 120.300 -0.667 0.000 2.652 341 Y HA 0.250 4.799 4.550 -0.001 0.000 0.275 341 Y C 0.565 176.089 175.900 -0.627 0.000 1.133 341 Y CA -0.321 57.295 58.100 -0.807 0.000 1.246 341 Y CB 1.146 38.624 38.460 -1.636 0.000 1.334 341 Y HN -0.127 nan 8.280 nan 0.000 0.493 342 I N -0.078 120.240 120.570 -0.420 0.000 2.385 342 I HA 0.164 4.334 4.170 -0.001 0.000 0.294 342 I C 0.428 176.378 176.117 -0.279 0.000 0.988 342 I CA -0.659 60.375 61.300 -0.444 0.000 1.265 342 I CB 1.487 39.209 38.000 -0.464 0.000 1.388 342 I HN -0.121 nan 8.210 nan 0.000 0.480 343 S N 7.210 122.776 115.700 -0.223 0.000 2.546 343 S HA 0.088 4.557 4.470 -0.001 0.000 0.290 343 S C -1.129 173.370 174.600 -0.169 0.000 1.290 343 S CA -1.088 57.021 58.200 -0.152 0.000 1.069 343 S CB 0.665 63.812 63.200 -0.087 0.000 0.846 343 S HN 0.439 nan 8.310 nan 0.000 0.495 344 P HA -0.166 nan 4.420 nan 0.000 0.219 344 P C 1.240 178.445 177.300 -0.158 0.000 1.146 344 P CA 0.931 63.950 63.100 -0.135 0.000 0.808 344 P CB 0.078 31.706 31.700 -0.119 0.000 0.779 345 E N -0.321 119.726 120.200 -0.255 0.000 2.114 345 E HA -0.242 4.107 4.350 -0.001 0.000 0.199 345 E C 1.507 177.929 176.600 -0.296 0.000 1.008 345 E CA 1.219 57.415 56.400 -0.339 0.000 0.810 345 E CB -0.212 29.160 29.700 -0.546 0.000 0.739 345 E HN 0.418 nan 8.360 nan 0.000 0.456 346 H N -1.037 118.059 119.070 0.044 0.000 2.553 346 H HA 0.116 4.672 4.556 -0.001 0.000 0.265 346 H C 1.685 177.114 175.328 0.169 0.000 0.964 346 H CA 0.315 56.441 56.048 0.131 0.000 1.156 346 H CB 0.407 30.276 29.762 0.178 0.000 1.411 346 H HN 0.242 nan 8.280 nan 0.000 0.558 347 L N 1.051 122.350 121.223 0.127 0.000 2.590 347 L HA 0.077 4.416 4.340 -0.001 0.000 0.227 347 L C 1.032 177.938 176.870 0.060 0.000 1.099 347 L CA -0.092 54.840 54.840 0.154 0.000 0.872 347 L CB 0.227 42.333 42.059 0.080 0.000 1.088 347 L HN 0.054 nan 8.230 nan 0.000 0.479 348 S N -1.443 114.254 115.700 -0.004 0.000 2.584 348 S HA -0.008 4.462 4.470 -0.001 0.000 0.270 348 S C 1.417 176.015 174.600 -0.004 0.000 1.346 348 S CA 0.133 58.294 58.200 -0.066 0.000 1.018 348 S CB 1.632 64.798 63.200 -0.057 0.000 0.899 348 S HN 0.134 nan 8.310 nan 0.000 0.542 349 S N 1.262 116.937 115.700 -0.042 0.000 2.387 349 S HA -0.144 4.326 4.470 -0.001 0.000 0.230 349 S C 1.785 176.407 174.600 0.038 0.000 1.035 349 S CA 1.258 59.463 58.200 0.008 0.000 1.014 349 S CB -0.462 62.727 63.200 -0.018 0.000 0.836 349 S HN 0.707 nan 8.310 nan 0.000 0.466 350 K N 0.115 120.530 120.400 0.025 0.000 2.137 350 K HA 0.107 4.427 4.320 -0.001 0.000 0.202 350 K C 2.273 178.910 176.600 0.062 0.000 1.052 350 K CA 0.869 57.178 56.287 0.036 0.000 0.961 350 K CB -0.974 31.538 32.500 0.020 0.000 0.741 350 K HN 0.466 nan 8.250 nan 0.000 0.452 351 G N 1.845 110.688 108.800 0.073 0.000 2.476 351 G HA2 -0.246 3.713 3.960 -0.001 0.000 0.218 351 G HA3 -0.246 3.713 3.960 -0.001 0.000 0.218 351 G C 1.665 176.662 174.900 0.161 0.000 1.164 351 G CA 0.792 45.968 45.100 0.126 0.000 0.768 351 G HN 0.186 nan 8.290 nan 0.000 0.560 352 I N 0.546 121.212 120.570 0.160 0.000 2.099 352 I HA -0.182 3.987 4.170 -0.001 0.000 0.239 352 I C 2.819 178.987 176.117 0.085 0.000 1.066 352 I CA 1.605 62.991 61.300 0.145 0.000 1.324 352 I CB -0.397 37.708 38.000 0.176 0.000 1.037 352 I HN 0.248 nan 8.210 nan 0.000 0.401 353 E N 0.640 120.884 120.200 0.072 0.000 2.097 353 E HA -0.286 4.064 4.350 -0.001 0.000 0.196 353 E C 2.177 178.811 176.600 0.057 0.000 1.000 353 E CA 1.147 57.578 56.400 0.053 0.000 0.804 353 E CB -0.147 29.579 29.700 0.044 0.000 0.740 353 E HN 0.304 nan 8.360 nan 0.000 0.454 354 K N 1.117 121.559 120.400 0.070 0.000 1.991 354 K HA -0.174 4.146 4.320 -0.001 0.000 0.212 354 K C 2.185 178.835 176.600 0.083 0.000 1.049 354 K CA 1.234 57.566 56.287 0.075 0.000 0.932 354 K CB -0.300 32.254 32.500 0.089 0.000 0.717 354 K HN 0.141 nan 8.250 nan 0.000 0.441 355 L N 0.959 122.241 121.223 0.097 0.000 2.046 355 L HA -0.221 4.119 4.340 -0.001 0.000 0.208 355 L C 2.757 179.674 176.870 0.079 0.000 1.077 355 L CA 1.368 56.264 54.840 0.093 0.000 0.747 355 L CB -0.451 41.662 42.059 0.089 0.000 0.896 355 L HN 0.287 nan 8.230 nan 0.000 0.432 356 Q N -0.135 119.693 119.800 0.046 0.000 2.112 356 Q HA -0.279 4.060 4.340 -0.001 0.000 0.206 356 Q C 2.295 178.351 176.000 0.093 0.000 0.987 356 Q CA 1.725 57.556 55.803 0.045 0.000 0.858 356 Q CB -0.132 28.616 28.738 0.016 0.000 0.905 356 Q HN 0.383 nan 8.270 nan 0.000 0.420 357 K N 0.512 120.954 120.400 0.070 0.000 2.062 357 K HA -0.148 4.172 4.320 -0.001 0.000 0.205 357 K C 2.084 178.717 176.600 0.056 0.000 1.051 357 K CA 0.960 57.280 56.287 0.055 0.000 0.941 357 K CB 0.110 32.634 32.500 0.040 0.000 0.719 357 K HN 0.180 nan 8.250 nan 0.000 0.440 358 Q N -0.457 119.385 119.800 0.071 0.000 2.096 358 Q HA -0.197 4.143 4.340 -0.001 0.000 0.204 358 Q C 1.863 177.898 176.000 0.059 0.000 0.982 358 Q CA 1.924 57.763 55.803 0.060 0.000 0.850 358 Q CB -0.150 28.633 28.738 0.075 0.000 0.901 358 Q HN 0.260 nan 8.270 nan 0.000 0.422 359 F N -0.066 119.866 119.950 -0.031 0.000 2.102 359 F HA -0.209 4.318 4.527 -0.001 0.000 0.298 359 F C 1.951 177.723 175.800 -0.046 0.000 1.105 359 F CA 1.046 59.017 58.000 -0.047 0.000 1.239 359 F CB -0.179 38.783 39.000 -0.064 0.000 0.991 359 F HN -0.167 nan 8.300 nan 0.000 0.474 360 V N 0.207 120.145 119.914 0.041 0.000 2.392 360 V HA -0.309 3.810 4.120 -0.001 0.000 0.249 360 V C 2.223 178.250 176.094 -0.112 0.000 1.059 360 V CA 2.302 64.577 62.300 -0.042 0.000 1.051 360 V CB -0.675 31.162 31.823 0.023 0.000 0.658 360 V HN 0.364 nan 8.190 nan 0.000 0.455 361 E N 0.122 120.272 120.200 -0.084 0.000 2.046 361 E HA -0.134 4.215 4.350 -0.001 0.000 0.190 361 E C 1.732 178.256 176.600 -0.128 0.000 0.982 361 E CA 1.344 57.695 56.400 -0.082 0.000 0.800 361 E CB -0.042 29.633 29.700 -0.043 0.000 0.756 361 E HN 0.573 nan 8.360 nan 0.000 0.449 362 N N -0.791 117.805 118.700 -0.173 0.000 2.227 362 N HA 0.069 4.809 4.740 -0.001 0.000 0.196 362 N C -0.300 175.036 175.510 -0.288 0.000 1.142 362 N CA 0.239 53.180 53.050 -0.183 0.000 0.887 362 N CB 1.320 39.731 38.487 -0.127 0.000 1.022 362 N HN -0.156 nan 8.380 nan 0.000 0.500 363 S N 0.151 115.540 115.700 -0.518 0.000 3.587 363 S HA -0.144 4.325 4.470 -0.001 0.000 0.337 363 S C -0.160 174.105 174.600 -0.558 0.000 1.119 363 S CA 0.907 58.632 58.200 -0.792 0.000 0.976 363 S CB -1.599 61.335 63.200 -0.444 0.000 0.922 363 S HN 0.702 nan 8.310 nan 0.000 0.503 364 S N -0.574 114.905 115.700 -0.368 0.000 2.567 364 S HA 0.805 5.275 4.470 -0.001 0.000 0.270 364 S C -1.326 173.314 174.600 0.067 0.000 1.152 364 S CA -1.138 57.012 58.200 -0.084 0.000 0.835 364 S CB 1.622 64.722 63.200 -0.167 0.000 1.115 364 S HN 0.322 nan 8.310 nan 0.000 0.459 365 L N 1.213 122.484 121.223 0.080 0.000 2.436 365 L HA 0.561 4.901 4.340 -0.001 0.000 0.268 365 L C -0.955 175.920 176.870 0.008 0.000 0.974 365 L CA -0.543 54.347 54.840 0.085 0.000 0.826 365 L CB 2.366 44.516 42.059 0.151 0.000 1.291 365 L HN 0.776 nan 8.230 nan 0.000 0.406 366 Q N 4.583 124.397 119.800 0.022 0.000 2.454 366 Q HA 0.548 4.888 4.340 -0.001 0.000 0.255 366 Q C -0.988 175.049 176.000 0.061 0.000 1.034 366 Q CA -0.336 55.472 55.803 0.009 0.000 0.736 366 Q CB 2.322 31.056 28.738 -0.005 0.000 1.210 366 Q HN 0.514 nan 8.270 nan 0.000 0.500 367 I N 0.983 121.606 120.570 0.087 0.000 2.428 367 I HA 0.306 4.476 4.170 -0.001 0.000 0.296 367 I C 0.331 176.525 176.117 0.128 0.000 0.985 367 I CA -0.587 60.772 61.300 0.099 0.000 1.260 367 I CB 1.205 39.239 38.000 0.055 0.000 1.389 367 I HN 0.409 nan 8.210 nan 0.000 0.484 368 E N 2.599 122.904 120.200 0.175 0.000 2.235 368 E HA 0.355 4.705 4.350 -0.001 0.000 0.265 368 E C -0.439 176.343 176.600 0.303 0.000 0.940 368 E CA -0.767 55.756 56.400 0.204 0.000 0.819 368 E CB 1.596 31.401 29.700 0.176 0.000 1.206 368 E HN 0.593 nan 8.360 nan 0.000 0.409 369 S N 1.198 117.052 115.700 0.257 0.000 3.378 369 S HA -0.242 4.228 4.470 -0.001 0.000 0.365 369 S C 0.287 175.118 174.600 0.384 0.000 0.951 369 S CA 0.396 58.757 58.200 0.268 0.000 1.274 369 S CB -1.219 62.114 63.200 0.222 0.000 0.915 369 S HN 0.593 nan 8.310 nan 0.000 0.513 370 F N 1.207 121.240 119.950 0.138 0.000 2.084 370 F HA 0.128 4.655 4.527 -0.001 0.000 0.296 370 F C 0.996 176.870 175.800 0.123 0.000 1.111 370 F CA 1.208 59.250 58.000 0.071 0.000 1.224 370 F CB 0.031 39.026 39.000 -0.008 0.000 0.991 370 F HN 0.387 nan 8.300 nan 0.000 0.471 371 L N 1.680 122.892 121.223 -0.018 0.000 2.436 371 L HA 0.123 4.463 4.340 -0.001 0.000 0.265 371 L C 0.663 177.478 176.870 -0.092 0.000 1.168 371 L CA -0.407 54.345 54.840 -0.146 0.000 0.815 371 L CB 0.339 42.386 42.059 -0.020 0.000 1.109 371 L HN 0.311 nan 8.230 nan 0.000 0.462 372 N N 0.234 118.840 118.700 -0.156 0.000 2.285 372 N HA -0.007 4.733 4.740 -0.001 0.000 0.262 372 N C -0.297 175.175 175.510 -0.063 0.000 1.299 372 N CA -0.763 52.216 53.050 -0.118 0.000 0.930 372 N CB 0.874 39.259 38.487 -0.170 0.000 1.157 372 N HN 0.514 nan 8.380 nan 0.000 0.532 373 D N -0.365 120.004 120.400 -0.052 0.000 2.149 373 D HA -0.155 4.485 4.640 -0.001 0.000 0.201 373 D C 1.352 177.633 176.300 -0.032 0.000 0.972 373 D CA 1.239 55.230 54.000 -0.014 0.000 0.835 373 D CB -0.552 40.238 40.800 -0.018 0.000 0.966 373 D HN 0.707 nan 8.370 nan 0.000 0.476 374 D N 0.962 121.310 120.400 -0.087 0.000 2.097 374 D HA -0.177 4.462 4.640 -0.001 0.000 0.195 374 D C 1.741 177.972 176.300 -0.114 0.000 0.989 374 D CA 1.395 55.330 54.000 -0.108 0.000 0.827 374 D CB 0.193 40.902 40.800 -0.152 0.000 0.966 374 D HN -0.164 nan 8.370 nan 0.000 0.456 375 K N 0.266 120.565 120.400 -0.168 0.000 2.062 375 K HA -0.020 4.300 4.320 -0.001 0.000 0.205 375 K C 2.334 178.951 176.600 0.028 0.000 1.051 375 K CA 0.835 57.031 56.287 -0.152 0.000 0.941 375 K CB -0.942 31.376 32.500 -0.304 0.000 0.719 375 K HN 0.168 nan 8.250 nan 0.000 0.440 376 S N 1.220 116.973 115.700 0.089 0.000 2.370 376 S HA -0.161 4.309 4.470 -0.001 0.000 0.226 376 S C 1.716 176.509 174.600 0.320 0.000 1.033 376 S CA 1.311 59.694 58.200 0.305 0.000 1.011 376 S CB 0.045 63.440 63.200 0.326 0.000 0.852 376 S HN 0.207 nan 8.310 nan 0.000 0.457 377 E N 0.844 121.122 120.200 0.129 0.000 2.047 377 E HA -0.084 4.266 4.350 -0.001 0.000 0.191 377 E C 2.131 178.754 176.600 0.038 0.000 0.987 377 E CA 0.903 57.330 56.400 0.045 0.000 0.799 377 E CB -0.841 28.860 29.700 0.001 0.000 0.752 377 E HN 0.498 nan 8.360 nan 0.000 0.449 378 L N 1.013 122.257 121.223 0.036 0.000 1.989 378 L HA -0.174 4.165 4.340 -0.001 0.000 0.211 378 L C 2.301 179.213 176.870 0.070 0.000 1.071 378 L CA 1.585 56.442 54.840 0.028 0.000 0.749 378 L CB -0.685 41.373 42.059 -0.000 0.000 0.890 378 L HN 0.072 nan 8.230 nan 0.000 0.431 379 L N -0.590 120.721 121.223 0.148 0.000 2.046 379 L HA -0.238 4.101 4.340 -0.001 0.000 0.208 379 L C 2.701 179.715 176.870 0.239 0.000 1.077 379 L CA 1.732 56.704 54.840 0.220 0.000 0.747 379 L CB -0.618 41.616 42.059 0.291 0.000 0.896 379 L HN 0.331 nan 8.230 nan 0.000 0.432 380 K N 0.489 121.014 120.400 0.208 0.000 2.057 380 K HA -0.255 4.065 4.320 -0.001 0.000 0.207 380 K C 2.247 178.747 176.600 -0.167 0.000 1.049 380 K CA 1.561 57.703 56.287 -0.242 0.000 0.931 380 K CB 0.009 32.142 32.500 -0.611 0.000 0.714 380 K HN 0.109 nan 8.250 nan 0.000 0.440 381 K N 0.622 120.971 120.400 -0.085 0.000 1.991 381 K HA -0.149 4.171 4.320 -0.001 0.000 0.212 381 K C 2.027 178.598 176.600 -0.049 0.000 1.049 381 K CA 1.912 58.160 56.287 -0.065 0.000 0.932 381 K CB -0.169 32.310 32.500 -0.036 0.000 0.717 381 K HN 0.177 nan 8.250 nan 0.000 0.441 382 V N -0.838 119.062 119.914 -0.024 0.000 2.427 382 V HA -0.178 3.941 4.120 -0.001 0.000 0.248 382 V C 2.166 178.215 176.094 -0.075 0.000 1.051 382 V CA 1.518 63.808 62.300 -0.016 0.000 1.048 382 V CB -0.598 31.241 31.823 0.027 0.000 0.666 382 V HN 0.271 nan 8.190 nan 0.000 0.456 383 I N -0.067 120.412 120.570 -0.152 0.000 2.233 383 I HA -0.151 4.018 4.170 -0.001 0.000 0.243 383 I C 2.866 178.847 176.117 -0.227 0.000 1.093 383 I CA 1.809 62.891 61.300 -0.363 0.000 1.380 383 I CB -0.419 37.260 38.000 -0.535 0.000 1.067 383 I HN 0.226 nan 8.210 nan 0.000 0.413 384 K N 0.265 120.575 120.400 -0.150 0.000 2.032 384 K HA -0.263 4.057 4.320 -0.001 0.000 0.209 384 K C 2.238 178.819 176.600 -0.032 0.000 1.048 384 K CA 1.402 57.641 56.287 -0.080 0.000 0.927 384 K CB -0.252 32.189 32.500 -0.099 0.000 0.712 384 K HN 0.269 nan 8.250 nan 0.000 0.441 385 Q N 1.536 121.315 119.800 -0.035 0.000 2.045 385 Q HA -0.239 4.100 4.340 -0.001 0.000 0.206 385 Q C 2.023 178.036 176.000 0.021 0.000 0.991 385 Q CA 1.801 57.601 55.803 -0.006 0.000 0.851 385 Q CB -0.071 28.664 28.738 -0.005 0.000 0.911 385 Q HN 0.214 nan 8.270 nan 0.000 0.418 386 K N -0.143 120.272 120.400 0.026 0.000 2.057 386 K HA -0.147 4.172 4.320 -0.001 0.000 0.207 386 K C 1.952 178.631 176.600 0.132 0.000 1.049 386 K CA 1.305 57.644 56.287 0.086 0.000 0.931 386 K CB 0.076 32.660 32.500 0.139 0.000 0.714 386 K HN 0.133 nan 8.250 nan 0.000 0.440 387 E N 0.524 120.808 120.200 0.139 0.000 2.110 387 E HA -0.180 4.169 4.350 -0.001 0.000 0.193 387 E C 2.001 178.676 176.600 0.125 0.000 0.988 387 E CA 1.137 57.648 56.400 0.185 0.000 0.804 387 E CB 0.008 29.823 29.700 0.192 0.000 0.745 387 E HN 0.384 nan 8.360 nan 0.000 0.458 388 L N -0.258 121.013 121.223 0.079 0.000 2.354 388 L HA 0.022 4.362 4.340 -0.001 0.000 0.212 388 L C 1.725 178.623 176.870 0.047 0.000 1.091 388 L CA 0.631 55.505 54.840 0.057 0.000 0.828 388 L CB 0.109 42.189 42.059 0.035 0.000 0.973 388 L HN -0.030 nan 8.230 nan 0.000 0.461 389 E N -1.322 118.906 120.200 0.045 0.000 2.572 389 E HA 0.147 4.497 4.350 -0.001 0.000 0.220 389 E C -0.024 176.596 176.600 0.033 0.000 0.945 389 E CA -0.088 56.331 56.400 0.032 0.000 1.070 389 E CB 0.902 30.615 29.700 0.021 0.000 1.090 389 E HN 0.399 nan 8.360 nan 0.000 0.506 390 Q N 0.640 120.469 119.800 0.048 0.000 2.351 390 Q HA 0.321 4.660 4.340 -0.001 0.000 0.273 390 Q C -0.591 175.443 176.000 0.057 0.000 1.077 390 Q CA -0.768 55.060 55.803 0.041 0.000 0.843 390 Q CB 1.957 30.718 28.738 0.039 0.000 1.367 390 Q HN -0.082 nan 8.270 nan 0.000 0.449 391 E N 0.962 121.189 120.200 0.044 0.000 2.227 391 E HA 0.162 4.511 4.350 -0.001 0.000 0.282 391 E C -0.964 175.677 176.600 0.069 0.000 1.015 391 E CA -0.250 56.186 56.400 0.060 0.000 0.823 391 E CB 1.572 31.301 29.700 0.047 0.000 1.081 391 E HN 0.505 nan 8.360 nan 0.000 0.396 392 C N 6.229 125.600 119.300 0.118 0.000 2.369 392 C HA 0.417 4.877 4.460 -0.001 0.000 0.358 392 C C -2.048 173.047 174.990 0.175 0.000 1.274 392 C CA -1.682 57.400 59.018 0.107 0.000 1.935 392 C CB -0.144 27.700 27.740 0.173 0.000 2.431 392 C HN 0.490 nan 8.230 nan 0.000 0.545 393 P HA 0.108 nan 4.420 nan 0.000 0.271 393 P C -1.037 176.331 177.300 0.113 0.000 1.216 393 P CA 0.230 63.386 63.100 0.095 0.000 0.771 393 P CB 0.297 32.004 31.700 0.012 0.000 0.864 394 Y N 0.347 120.695 120.300 0.080 0.000 2.706 394 Y HA 0.238 4.787 4.550 -0.001 0.000 0.255 394 Y C 0.532 176.539 175.900 0.178 0.000 1.163 394 Y CA -0.055 58.113 58.100 0.113 0.000 1.174 394 Y CB 0.139 38.696 38.460 0.161 0.000 1.200 394 Y HN 0.468 nan 8.280 nan 0.000 0.544 395 H N -0.950 118.188 119.070 0.113 0.000 3.038 395 H HA 0.170 4.726 4.556 -0.001 0.000 0.362 395 H C 0.792 176.159 175.328 0.065 0.000 1.167 395 H CA 0.344 56.457 56.048 0.109 0.000 1.197 395 H CB 2.091 31.927 29.762 0.124 0.000 1.840 395 H HN 0.145 nan 8.280 nan 0.000 0.540 396 S N 3.264 118.938 115.700 -0.043 0.000 2.400 396 S HA -0.165 4.305 4.470 -0.001 0.000 0.232 396 S C 1.563 176.270 174.600 0.178 0.000 1.025 396 S CA 1.146 59.367 58.200 0.035 0.000 0.993 396 S CB -0.027 63.137 63.200 -0.060 0.000 0.808 396 S HN 0.614 nan 8.310 nan 0.000 0.478 397 K N 0.895 121.548 120.400 0.420 0.000 2.211 397 K HA -0.037 4.283 4.320 -0.001 0.000 0.203 397 K C 0.819 177.523 176.600 0.173 0.000 1.050 397 K CA 1.316 57.762 56.287 0.266 0.000 0.945 397 K CB -0.177 32.450 32.500 0.211 0.000 0.732 397 K HN 0.393 nan 8.250 nan 0.000 0.451 398 D N 0.284 120.793 120.400 0.182 0.000 2.339 398 D HA -0.003 4.637 4.640 -0.001 0.000 0.217 398 D C -0.066 176.299 176.300 0.109 0.000 1.050 398 D CA 0.245 54.319 54.000 0.122 0.000 0.856 398 D CB 0.299 41.171 40.800 0.121 0.000 0.922 398 D HN -0.140 nan 8.370 nan 0.000 0.518 399 V N 2.455 122.439 119.914 0.117 0.000 2.470 399 V HA 0.097 4.216 4.120 -0.001 0.000 0.276 399 V C 0.676 176.911 176.094 0.236 0.000 1.040 399 V CA -0.142 62.230 62.300 0.121 0.000 1.008 399 V CB 0.841 32.702 31.823 0.063 0.000 0.990 399 V HN -0.078 nan 8.190 nan 0.000 0.477 400 K N 3.284 123.824 120.400 0.233 0.000 2.238 400 K HA 0.791 5.111 4.320 -0.001 0.000 0.239 400 K C -0.058 176.694 176.600 0.254 0.000 0.987 400 K CA -0.771 55.612 56.287 0.160 0.000 0.857 400 K CB 1.881 34.420 32.500 0.065 0.000 1.154 400 K HN 0.646 nan 8.250 nan 0.000 0.439 401 A N 2.276 125.038 122.820 -0.097 0.000 2.561 401 A HA 0.089 4.409 4.320 -0.001 0.000 0.234 401 A C -1.482 176.211 177.584 0.181 0.000 1.055 401 A CA -0.547 51.510 52.037 0.032 0.000 0.756 401 A CB -0.475 18.406 19.000 -0.198 0.000 0.986 401 A HN 0.518 nan 8.150 nan 0.000 0.505 402 P HA 0.076 nan 4.420 nan 0.000 0.256 402 P C -0.624 176.557 177.300 -0.197 0.000 1.384 402 P CA 0.046 63.071 63.100 -0.126 0.000 0.879 402 P CB -0.045 31.494 31.700 -0.268 0.000 1.403 403 W N 1.274 122.612 121.300 0.064 0.000 2.283 403 W HA 0.457 5.116 4.660 -0.001 0.000 0.341 403 W C 0.781 177.176 176.519 -0.206 0.000 1.206 403 W CA -0.215 57.091 57.345 -0.065 0.000 1.294 403 W CB 1.007 30.451 29.460 -0.027 0.000 1.154 403 W HN -0.307 nan 8.180 nan 0.000 0.613 404 K N 0.319 120.585 120.400 -0.224 0.000 2.512 404 K HA 0.502 4.821 4.320 -0.001 0.000 0.263 404 K C -1.134 175.193 176.600 -0.455 0.000 0.966 404 K CA -0.973 54.996 56.287 -0.529 0.000 0.851 404 K CB 2.241 34.154 32.500 -0.980 0.000 1.395 404 K HN 0.183 nan 8.250 nan 0.000 0.440 405 T N 1.293 115.682 114.554 -0.275 0.000 2.758 405 T HA 0.387 4.736 4.350 -0.001 0.000 0.285 405 T C -0.297 174.385 174.700 -0.030 0.000 0.981 405 T CA -0.626 61.379 62.100 -0.158 0.000 0.965 405 T CB 1.284 70.066 68.868 -0.144 0.000 0.927 405 T HN 0.648 nan 8.240 nan 0.000 0.448 406 A N 4.150 126.880 122.820 -0.149 0.000 2.498 406 A HA 0.623 4.942 4.320 -0.001 0.000 0.239 406 A C 0.280 177.721 177.584 -0.239 0.000 1.068 406 A CA -0.261 51.587 52.037 -0.314 0.000 0.766 406 A CB -0.455 17.832 19.000 -1.187 0.000 1.003 406 A HN 0.952 nan 8.150 nan 0.000 0.497 407 I N -0.716 119.775 120.570 -0.131 0.000 3.006 407 I HA 0.721 4.891 4.170 -0.001 0.000 0.306 407 I C -2.974 173.072 176.117 -0.119 0.000 1.250 407 I CA -2.737 58.490 61.300 -0.121 0.000 0.996 407 I CB 2.695 40.657 38.000 -0.063 0.000 1.261 407 I HN 0.393 nan 8.210 nan 0.000 0.442 408 P HA 0.379 nan 4.420 nan 0.000 0.281 408 P C -2.384 174.788 177.300 -0.213 0.000 1.264 408 P CA -1.853 61.145 63.100 -0.170 0.000 0.824 408 P CB 0.689 32.325 31.700 -0.106 0.000 1.092 409 P HA -0.154 nan 4.420 nan 0.000 0.225 409 P C 1.093 178.417 177.300 0.042 0.000 1.148 409 P CA 1.587 64.630 63.100 -0.095 0.000 0.779 409 P CB -0.514 31.059 31.700 -0.212 0.000 0.780 410 H N -0.986 117.973 119.070 -0.185 0.000 2.533 410 H HA 0.275 4.831 4.556 -0.001 0.000 0.271 410 H C 0.991 176.343 175.328 0.041 0.000 1.000 410 H CA 0.202 56.224 56.048 -0.043 0.000 1.149 410 H CB -0.094 29.625 29.762 -0.072 0.000 1.375 410 H HN 0.138 nan 8.280 nan 0.000 0.582 411 K N 0.027 120.236 120.400 -0.317 0.000 2.462 411 K HA 0.510 4.829 4.320 -0.001 0.000 0.201 411 K C 0.080 176.566 176.600 -0.191 0.000 1.268 411 K CA 0.555 56.691 56.287 -0.252 0.000 0.933 411 K CB 1.442 33.719 32.500 -0.372 0.000 1.162 411 K HN 0.253 nan 8.250 nan 0.000 0.527 412 A N 1.310 123.904 122.820 -0.377 0.000 2.550 412 A HA 0.578 4.897 4.320 -0.001 0.000 0.295 412 A C -1.776 175.373 177.584 -0.725 0.000 1.001 412 A CA -0.748 50.859 52.037 -0.717 0.000 0.660 412 A CB 1.323 20.151 19.000 -0.287 0.000 1.308 412 A HN 0.096 nan 8.150 nan 0.000 0.426 413 R N 0.537 120.566 120.500 -0.786 0.000 2.522 413 R HA 0.626 4.965 4.340 -0.001 0.000 0.273 413 R C -2.009 174.172 176.300 -0.198 0.000 1.133 413 R CA -0.407 55.449 56.100 -0.406 0.000 0.969 413 R CB 1.497 31.710 30.300 -0.145 0.000 1.235 413 R HN 1.640 nan 8.270 nan 0.000 0.433 414 Y N 0.918 121.048 120.300 -0.283 0.000 2.810 414 Y HA 0.388 4.937 4.550 -0.001 0.000 0.355 414 Y C -2.029 173.725 175.900 -0.243 0.000 1.211 414 Y CA -1.342 56.510 58.100 -0.414 0.000 1.112 414 Y CB 0.920 38.827 38.460 -0.922 0.000 1.383 414 Y HN 0.304 nan 8.280 nan 0.000 0.458 415 L N 3.042 124.208 121.223 -0.095 0.000 2.325 415 L HA 0.627 4.967 4.340 -0.001 0.000 0.279 415 L C -0.890 176.214 176.870 0.389 0.000 1.054 415 L CA -0.927 53.924 54.840 0.019 0.000 0.804 415 L CB 1.072 42.986 42.059 -0.242 0.000 1.200 415 L HN 0.806 nan 8.230 nan 0.000 0.436 416 Y N 0.961 121.467 120.300 0.344 0.000 2.597 416 Y HA 0.734 5.284 4.550 -0.000 0.000 0.340 416 Y C -1.143 174.825 175.900 0.112 0.000 1.097 416 Y CA -1.411 56.866 58.100 0.295 0.000 1.037 416 Y CB 1.277 39.871 38.460 0.224 0.000 1.305 416 Y HN 0.282 nan 8.280 nan 0.000 0.463 417 I N 2.756 123.356 120.570 0.050 0.000 2.382 417 I HA 0.248 4.417 4.170 -0.001 0.000 0.285 417 I C -0.718 175.482 176.117 0.139 0.000 1.007 417 I CA -0.558 60.650 61.300 -0.154 0.000 1.142 417 I CB 1.668 39.443 38.000 -0.375 0.000 1.289 417 I HN 0.838 nan 8.210 nan 0.000 0.453 418 D N 3.665 124.116 120.400 0.084 0.000 2.398 418 D HA 0.125 4.765 4.640 -0.001 0.000 0.210 418 D C 1.348 177.409 176.300 -0.398 0.000 1.094 418 D CA 0.342 54.393 54.000 0.086 0.000 0.839 418 D CB 0.715 41.661 40.800 0.243 0.000 0.963 418 D HN 0.715 nan 8.370 nan 0.000 0.506 419 G N 0.307 108.683 108.800 -0.708 0.000 2.184 419 G HA2 -0.343 3.616 3.960 -0.001 0.000 0.264 419 G HA3 -0.343 3.616 3.960 -0.001 0.000 0.264 419 G C 0.269 174.932 174.900 -0.395 0.000 0.975 419 G CA 0.550 45.080 45.100 -0.950 0.000 0.642 419 G HN 0.486 nan 8.290 nan 0.000 0.536 420 K N 0.792 121.064 120.400 -0.214 0.000 2.148 420 K HA 0.497 4.816 4.320 -0.001 0.000 0.239 420 K C 0.936 177.492 176.600 -0.074 0.000 1.018 420 K CA -0.259 55.974 56.287 -0.089 0.000 0.923 420 K CB 0.727 33.220 32.500 -0.012 0.000 1.117 420 K HN 0.534 nan 8.250 nan 0.000 0.477 421 E N 0.871 121.047 120.200 -0.040 0.000 2.418 421 E HA -0.113 4.237 4.350 -0.001 0.000 0.261 421 E C -0.857 175.719 176.600 -0.039 0.000 1.070 421 E CA -0.341 56.041 56.400 -0.029 0.000 0.931 421 E CB 0.364 30.051 29.700 -0.022 0.000 0.954 421 E HN 0.467 nan 8.360 nan 0.000 0.439 422 Y N 2.085 122.302 120.300 -0.138 0.000 2.610 422 Y HA 0.089 4.638 4.550 -0.001 0.000 0.332 422 Y C -0.284 175.473 175.900 -0.238 0.000 1.201 422 Y CA 0.312 58.308 58.100 -0.174 0.000 1.465 422 Y CB 0.616 38.993 38.460 -0.137 0.000 1.283 422 Y HN 0.534 nan 8.280 nan 0.000 0.563 423 R N 4.313 124.145 120.500 -1.113 0.000 2.533 423 R HA 0.317 4.656 4.340 -0.001 0.000 0.288 423 R C -1.845 173.579 176.300 -1.459 0.000 1.039 423 R CA -0.703 54.692 56.100 -1.175 0.000 0.909 423 R CB 0.997 30.673 30.300 -1.039 0.000 1.195 423 R HN 0.689 nan 8.270 nan 0.000 0.438 424 N N 4.184 122.162 118.700 -1.203 0.000 2.609 424 N HA 0.205 4.945 4.740 -0.001 0.000 0.268 424 N C -1.490 173.688 175.510 -0.552 0.000 1.106 424 N CA -0.376 52.205 53.050 -0.781 0.000 0.823 424 N CB 0.577 38.822 38.487 -0.402 0.000 1.263 424 N HN 0.360 nan 8.380 nan 0.000 0.533 425 F N 2.499 122.286 119.950 -0.272 0.000 2.509 425 F HA 0.270 4.797 4.527 -0.001 0.000 0.350 425 F C 1.746 177.450 175.800 -0.159 0.000 1.220 425 F CA -0.309 57.550 58.000 -0.234 0.000 1.151 425 F CB 0.793 39.607 39.000 -0.311 0.000 1.379 425 F HN 0.312 nan 8.300 nan 0.000 0.610 426 Q N 0.684 120.538 119.800 0.089 0.000 2.317 426 Q HA 0.128 4.468 4.340 -0.001 0.000 0.220 426 Q C 0.720 176.828 176.000 0.180 0.000 0.873 426 Q CA 0.383 56.292 55.803 0.177 0.000 0.936 426 Q CB 0.788 29.631 28.738 0.176 0.000 1.105 426 Q HN 0.641 nan 8.270 nan 0.000 0.520 427 T N -4.293 110.335 114.554 0.124 0.000 2.841 427 T HA 0.309 4.659 4.350 -0.001 0.000 0.296 427 T C 0.736 175.479 174.700 0.073 0.000 1.166 427 T CA -0.738 61.420 62.100 0.097 0.000 1.007 427 T CB 2.116 71.032 68.868 0.079 0.000 1.253 427 T HN -0.059 nan 8.240 nan 0.000 0.511 428 E N 0.367 120.593 120.200 0.044 0.000 2.070 428 E HA -0.200 4.150 4.350 -0.001 0.000 0.197 428 E C 2.249 178.885 176.600 0.061 0.000 1.004 428 E CA 1.608 58.021 56.400 0.023 0.000 0.805 428 E CB -0.468 29.238 29.700 0.010 0.000 0.744 428 E HN 0.747 nan 8.360 nan 0.000 0.451 429 A N 1.502 124.360 122.820 0.064 0.000 1.908 429 A HA -0.238 4.081 4.320 -0.001 0.000 0.218 429 A C 1.800 179.439 177.584 0.090 0.000 1.181 429 A CA 1.922 54.001 52.037 0.070 0.000 0.627 429 A CB -0.606 18.427 19.000 0.055 0.000 0.818 429 A HN 0.297 nan 8.150 nan 0.000 0.445 430 D N 0.118 120.580 120.400 0.103 0.000 2.133 430 D HA -0.189 4.450 4.640 -0.001 0.000 0.192 430 D C 1.842 178.296 176.300 0.255 0.000 1.001 430 D CA 1.593 55.682 54.000 0.148 0.000 0.844 430 D CB -0.403 40.489 40.800 0.153 0.000 0.944 430 D HN 0.558 nan 8.370 nan 0.000 0.447 431 I N 0.555 121.242 120.570 0.196 0.000 2.163 431 I HA -0.221 3.948 4.170 -0.001 0.000 0.240 431 I C 2.524 178.738 176.117 0.161 0.000 1.081 431 I CA 0.652 61.999 61.300 0.079 0.000 1.353 431 I CB -0.164 37.844 38.000 0.013 0.000 1.054 431 I HN -0.041 nan 8.210 nan 0.000 0.407 432 L N 0.271 121.587 121.223 0.154 0.000 2.127 432 L HA -0.228 4.112 4.340 -0.001 0.000 0.211 432 L C 2.528 179.465 176.870 0.112 0.000 1.089 432 L CA 1.148 56.070 54.840 0.136 0.000 0.757 432 L CB -0.567 41.560 42.059 0.114 0.000 0.899 432 L HN 0.284 nan 8.230 nan 0.000 0.434 433 E N 0.595 120.861 120.200 0.111 0.000 2.077 433 E HA -0.194 4.155 4.350 -0.001 0.000 0.193 433 E C 2.138 178.801 176.600 0.104 0.000 0.989 433 E CA 1.553 58.007 56.400 0.090 0.000 0.800 433 E CB -0.062 29.682 29.700 0.073 0.000 0.746 433 E HN 0.371 nan 8.360 nan 0.000 0.452 434 A N 0.369 123.285 122.820 0.159 0.000 1.873 434 A HA -0.104 4.215 4.320 -0.001 0.000 0.215 434 A C 2.311 180.002 177.584 0.179 0.000 1.186 434 A CA 1.398 53.552 52.037 0.195 0.000 0.616 434 A CB -0.753 18.439 19.000 0.320 0.000 0.823 434 A HN 0.330 nan 8.150 nan 0.000 0.442 435 L N -0.447 120.879 121.223 0.171 0.000 2.131 435 L HA -0.181 4.158 4.340 -0.001 0.000 0.210 435 L C 2.488 179.393 176.870 0.059 0.000 1.092 435 L CA 1.490 56.390 54.840 0.099 0.000 0.759 435 L CB -0.554 41.538 42.059 0.055 0.000 0.903 435 L HN 0.459 nan 8.230 nan 0.000 0.435 436 N N 0.825 119.563 118.700 0.063 0.000 2.171 436 N HA -0.128 4.612 4.740 -0.001 0.000 0.184 436 N C 0.432 175.968 175.510 0.042 0.000 1.021 436 N CA 1.065 54.141 53.050 0.044 0.000 0.854 436 N CB -0.005 38.508 38.487 0.043 0.000 0.994 436 N HN 0.273 nan 8.380 nan 0.000 0.426 437 N N 0.297 119.030 118.700 0.055 0.000 3.170 437 N HA 0.123 4.862 4.740 -0.001 0.000 0.305 437 N C -1.178 174.368 175.510 0.060 0.000 1.499 437 N CA -0.230 52.849 53.050 0.047 0.000 1.110 437 N CB 0.022 38.532 38.487 0.039 0.000 1.390 437 N HN 0.245 nan 8.380 nan 0.000 0.508 438 N N 2.056 120.793 118.700 0.061 0.000 2.412 438 N HA -0.061 4.678 4.740 -0.001 0.000 0.254 438 N C -0.870 174.673 175.510 0.054 0.000 1.232 438 N CA 0.390 53.481 53.050 0.068 0.000 0.880 438 N CB 0.594 39.109 38.487 0.048 0.000 1.076 438 N HN 0.442 nan 8.380 nan 0.000 0.458 439 D N 2.935 123.371 120.400 0.060 0.000 2.493 439 D HA 0.334 4.974 4.640 -0.001 0.000 0.239 439 D C -0.568 175.760 176.300 0.046 0.000 1.049 439 D CA -0.553 53.475 54.000 0.046 0.000 1.008 439 D CB 1.208 42.029 40.800 0.035 0.000 1.398 439 D HN 0.279 nan 8.370 nan 0.000 0.513 440 L N -0.005 121.245 121.223 0.044 0.000 2.322 440 L HA 0.378 4.718 4.340 -0.001 0.000 0.279 440 L C -2.240 174.647 176.870 0.029 0.000 1.036 440 L CA -1.964 52.903 54.840 0.044 0.000 0.807 440 L CB 1.612 43.702 42.059 0.052 0.000 1.226 440 L HN 0.167 nan 8.230 nan 0.000 0.433 441 P HA 0.034 nan 4.420 nan 0.000 0.264 441 P C -0.954 176.327 177.300 -0.031 0.000 1.193 441 P CA 0.031 63.093 63.100 -0.063 0.000 0.763 441 P CB 0.343 32.039 31.700 -0.006 0.000 0.810 442 N N 2.952 121.591 118.700 -0.102 0.000 2.609 442 N HA 0.164 4.904 4.740 -0.001 0.000 0.268 442 N C 0.077 175.547 175.510 -0.065 0.000 1.106 442 N CA -0.354 52.684 53.050 -0.021 0.000 0.823 442 N CB 0.358 38.893 38.487 0.080 0.000 1.263 442 N HN 0.072 nan 8.380 nan 0.000 0.533 443 F N 1.296 121.248 119.950 0.003 0.000 2.234 443 F HA -0.077 4.449 4.527 -0.001 0.000 0.299 443 F C 2.423 178.222 175.800 -0.003 0.000 1.087 443 F CA 0.887 58.890 58.000 0.004 0.000 1.340 443 F CB 0.270 39.274 39.000 0.007 0.000 1.031 443 F HN 0.464 nan 8.300 nan 0.000 0.500 444 Q N -0.314 119.552 119.800 0.109 0.000 2.046 444 Q HA -0.139 4.201 4.340 -0.001 0.000 0.200 444 Q C 1.892 177.930 176.000 0.063 0.000 0.975 444 Q CA 1.587 57.403 55.803 0.022 0.000 0.836 444 Q CB -0.578 28.099 28.738 -0.102 0.000 0.896 444 Q HN 0.304 nan 8.270 nan 0.000 0.428 445 F N -0.318 119.635 119.950 0.006 0.000 2.494 445 F HA -0.080 4.447 4.527 -0.001 0.000 0.298 445 F C 2.035 177.800 175.800 -0.057 0.000 1.106 445 F CA 1.127 59.111 58.000 -0.026 0.000 1.452 445 F CB -0.603 38.377 39.000 -0.033 0.000 1.085 445 F HN 0.065 nan 8.300 nan 0.000 0.569 446 T N -1.223 113.394 114.554 0.105 0.000 3.009 446 T HA -0.056 4.293 4.350 -0.001 0.000 0.258 446 T C 2.034 176.717 174.700 -0.028 0.000 1.063 446 T CA 0.537 62.631 62.100 -0.011 0.000 1.139 446 T CB 0.097 68.911 68.868 -0.090 0.000 0.890 446 T HN 0.149 nan 8.240 nan 0.000 0.471 447 K N 1.123 121.538 120.400 0.026 0.000 2.097 447 K HA -0.115 4.204 4.320 -0.001 0.000 0.206 447 K C 1.838 178.434 176.600 -0.007 0.000 1.049 447 K CA 1.380 57.672 56.287 0.008 0.000 0.933 447 K CB -0.125 32.405 32.500 0.050 0.000 0.717 447 K HN 0.238 nan 8.250 nan 0.000 0.442 448 D N 0.856 121.284 120.400 0.045 0.000 2.078 448 D HA -0.132 4.507 4.640 -0.001 0.000 0.193 448 D C 1.855 178.140 176.300 -0.025 0.000 0.990 448 D CA 1.499 55.526 54.000 0.045 0.000 0.827 448 D CB -0.388 40.494 40.800 0.137 0.000 0.975 448 D HN 0.160 nan 8.370 nan 0.000 0.451 449 A N 0.459 123.252 122.820 -0.045 0.000 2.032 449 A HA -0.172 4.148 4.320 -0.001 0.000 0.221 449 A C 2.342 179.820 177.584 -0.176 0.000 1.165 449 A CA 0.949 52.925 52.037 -0.102 0.000 0.645 449 A CB -0.802 18.137 19.000 -0.103 0.000 0.807 449 A HN 0.248 nan 8.150 nan 0.000 0.453 450 I N -1.351 119.074 120.570 -0.241 0.000 2.315 450 I HA -0.192 3.978 4.170 -0.001 0.000 0.248 450 I C 2.476 178.425 176.117 -0.280 0.000 1.117 450 I CA 1.379 62.403 61.300 -0.460 0.000 1.404 450 I CB -0.073 37.580 38.000 -0.577 0.000 1.071 450 I HN 0.134 nan 8.210 nan 0.000 0.419 451 K N 1.011 121.334 120.400 -0.130 0.000 2.057 451 K HA -0.118 4.201 4.320 -0.001 0.000 0.206 451 K C 1.983 178.566 176.600 -0.028 0.000 1.050 451 K CA 1.187 57.447 56.287 -0.045 0.000 0.935 451 K CB -0.531 31.962 32.500 -0.013 0.000 0.715 451 K HN 0.201 nan 8.250 nan 0.000 0.439 452 I N 0.629 121.172 120.570 -0.045 0.000 2.264 452 I HA -0.248 3.922 4.170 -0.001 0.000 0.248 452 I C 1.590 177.696 176.117 -0.020 0.000 1.111 452 I CA 1.526 62.807 61.300 -0.032 0.000 1.382 452 I CB -0.176 37.798 38.000 -0.044 0.000 1.060 452 I HN 0.131 nan 8.210 nan 0.000 0.418 453 I N -0.252 120.297 120.570 -0.036 0.000 2.333 453 I HA -0.207 3.962 4.170 -0.001 0.000 0.246 453 I C 2.676 178.863 176.117 0.117 0.000 1.106 453 I CA 1.042 62.358 61.300 0.026 0.000 1.411 453 I CB -0.477 37.533 38.000 0.016 0.000 1.082 453 I HN 0.125 nan 8.210 nan 0.000 0.420 454 S N 0.371 116.145 115.700 0.123 0.000 2.402 454 S HA -0.157 4.312 4.470 -0.001 0.000 0.229 454 S C 1.515 176.182 174.600 0.112 0.000 1.021 454 S CA 1.481 59.799 58.200 0.197 0.000 0.974 454 S CB -0.177 63.143 63.200 0.199 0.000 0.800 454 S HN 0.359 nan 8.310 nan 0.000 0.484 455 D N 0.558 120.997 120.400 0.066 0.000 2.346 455 D HA 0.284 4.924 4.640 -0.001 0.000 0.206 455 D C 1.441 177.764 176.300 0.037 0.000 1.001 455 D CA 0.683 54.711 54.000 0.046 0.000 0.871 455 D CB 0.005 40.824 40.800 0.031 0.000 0.943 455 D HN 0.415 nan 8.370 nan 0.000 0.518 456 A N -0.373 122.469 122.820 0.037 0.000 2.308 456 A HA 0.239 4.558 4.320 -0.001 0.000 0.217 456 A C 1.570 179.174 177.584 0.034 0.000 1.216 456 A CA 0.219 52.273 52.037 0.028 0.000 0.864 456 A CB 0.374 19.385 19.000 0.017 0.000 0.902 456 A HN 0.027 nan 8.150 nan 0.000 0.499 457 S N -1.817 113.913 115.700 0.050 0.000 2.648 457 S HA 0.463 4.933 4.470 -0.001 0.000 0.270 457 S C 0.797 175.425 174.600 0.048 0.000 1.080 457 S CA 0.353 58.582 58.200 0.050 0.000 1.159 457 S CB 0.499 63.739 63.200 0.067 0.000 1.091 457 S HN 1.738 nan 8.310 nan 0.000 0.605 458 G N 2.453 111.286 108.800 0.055 0.000 2.846 458 G HA2 -0.169 3.791 3.960 -0.001 0.000 0.660 458 G HA3 -0.169 3.791 3.960 -0.001 0.000 0.660 458 G C -1.137 173.797 174.900 0.056 0.000 1.464 458 G CA -0.679 44.451 45.100 0.050 0.000 0.891 458 G HN 0.293 nan 8.290 nan 0.000 0.552 459 N N -0.171 118.558 118.700 0.048 0.000 2.335 459 N HA 0.826 5.565 4.740 -0.001 0.000 0.304 459 N C 0.048 175.573 175.510 0.024 0.000 1.135 459 N CA 0.190 53.265 53.050 0.043 0.000 0.817 459 N CB 2.036 40.560 38.487 0.062 0.000 1.294 459 N HN 1.368 nan 8.380 nan 0.000 0.497 460 S N -0.235 115.471 115.700 0.011 0.000 2.643 460 S HA 0.415 4.885 4.470 -0.001 0.000 0.270 460 S C 0.462 175.063 174.600 0.002 0.000 1.166 460 S CA -0.790 57.414 58.200 0.007 0.000 0.815 460 S CB 2.033 65.235 63.200 0.003 0.000 1.139 460 S HN 0.502 nan 8.310 nan 0.000 0.472 461 R N 0.350 120.852 120.500 0.004 0.000 2.193 461 R HA -0.020 4.320 4.340 -0.001 0.000 0.229 461 R C 0.929 177.230 176.300 0.000 0.000 1.110 461 R CA 1.737 57.840 56.100 0.004 0.000 0.988 461 R CB -0.305 29.999 30.300 0.006 0.000 0.871 461 R HN 0.686 nan 8.270 nan 0.000 0.458 462 E N -0.578 119.619 120.200 -0.005 0.000 2.400 462 E HA 0.063 4.413 4.350 -0.001 0.000 0.195 462 E C -0.364 176.220 176.600 -0.027 0.000 1.012 462 E CA 0.427 56.823 56.400 -0.007 0.000 0.875 462 E CB 0.445 30.142 29.700 -0.004 0.000 0.859 462 E HN 0.185 nan 8.360 nan 0.000 0.498 463 N N 1.406 120.077 118.700 -0.047 0.000 2.732 463 N HA 0.154 4.894 4.740 -0.001 0.000 0.247 463 N C -1.768 173.653 175.510 -0.149 0.000 1.305 463 N CA -0.417 52.570 53.050 -0.104 0.000 0.762 463 N CB 0.505 38.944 38.487 -0.079 0.000 1.361 463 N HN 0.118 nan 8.380 nan 0.000 0.545 464 N N 0.118 118.694 118.700 -0.206 0.000 2.708 464 N HA 0.278 5.018 4.740 -0.001 0.000 0.257 464 N C -1.137 174.225 175.510 -0.246 0.000 1.373 464 N CA -0.600 52.339 53.050 -0.185 0.000 0.843 464 N CB 1.050 39.530 38.487 -0.011 0.000 1.503 464 N HN 0.006 nan 8.380 nan 0.000 0.504 465 F N 0.243 120.261 119.950 0.113 0.000 2.684 465 F HA 0.255 4.782 4.527 -0.001 0.000 0.298 465 F C 1.205 177.085 175.800 0.133 0.000 1.120 465 F CA -0.548 57.537 58.000 0.142 0.000 1.332 465 F CB 0.166 39.236 39.000 0.118 0.000 0.986 465 F HN 0.377 nan 8.300 nan 0.000 0.524 466 D N 1.054 121.588 120.400 0.223 0.000 2.116 466 D HA -0.234 4.405 4.640 -0.001 0.000 0.193 466 D C 2.371 178.775 176.300 0.173 0.000 0.998 466 D CA 1.609 55.708 54.000 0.166 0.000 0.836 466 D CB -0.257 40.604 40.800 0.102 0.000 0.951 466 D HN 0.322 nan 8.370 nan 0.000 0.449 467 A N 0.942 123.873 122.820 0.184 0.000 1.877 467 A HA -0.205 4.114 4.320 -0.001 0.000 0.216 467 A C 2.154 179.906 177.584 0.280 0.000 1.186 467 A CA 1.728 53.874 52.037 0.183 0.000 0.620 467 A CB -0.572 18.519 19.000 0.152 0.000 0.822 467 A HN 0.104 nan 8.150 nan 0.000 0.443 468 E N 0.070 120.496 120.200 0.377 0.000 2.085 468 E HA -0.152 4.198 4.350 -0.001 0.000 0.194 468 E C 1.911 178.643 176.600 0.220 0.000 0.994 468 E CA 1.283 57.885 56.400 0.337 0.000 0.801 468 E CB -0.356 29.594 29.700 0.417 0.000 0.743 468 E HN 0.625 nan 8.360 nan 0.000 0.453 469 L N -0.036 121.317 121.223 0.215 0.000 2.056 469 L HA -0.153 4.187 4.340 -0.001 0.000 0.207 469 L C 2.378 179.336 176.870 0.145 0.000 1.078 469 L CA 1.092 56.026 54.840 0.156 0.000 0.749 469 L CB -0.432 41.716 42.059 0.148 0.000 0.901 469 L HN 0.167 nan 8.230 nan 0.000 0.433 470 A N -0.089 122.823 122.820 0.152 0.000 1.898 470 A HA -0.135 4.185 4.320 -0.001 0.000 0.216 470 A C 2.232 179.912 177.584 0.159 0.000 1.181 470 A CA 1.329 53.452 52.037 0.144 0.000 0.620 470 A CB -0.613 18.463 19.000 0.126 0.000 0.819 470 A HN 0.345 nan 8.150 nan 0.000 0.442 471 L N -0.709 120.616 121.223 0.171 0.000 2.109 471 L HA -0.103 4.236 4.340 -0.001 0.000 0.207 471 L C 2.382 179.317 176.870 0.108 0.000 1.086 471 L CA 0.916 55.856 54.840 0.167 0.000 0.760 471 L CB -0.370 41.832 42.059 0.238 0.000 0.910 471 L HN 0.361 nan 8.230 nan 0.000 0.437 472 I N -0.378 120.262 120.570 0.118 0.000 2.252 472 I HA -0.272 3.897 4.170 -0.001 0.000 0.245 472 I C 2.025 178.164 176.117 0.037 0.000 1.102 472 I CA 1.049 62.408 61.300 0.099 0.000 1.385 472 I CB -0.337 37.776 38.000 0.189 0.000 1.064 472 I HN 0.234 nan 8.210 nan 0.000 0.414 473 D N 0.661 121.112 120.400 0.086 0.000 2.149 473 D HA -0.182 4.457 4.640 -0.001 0.000 0.198 473 D C 2.022 178.321 176.300 -0.002 0.000 0.990 473 D CA 1.126 55.182 54.000 0.093 0.000 0.839 473 D CB -0.268 40.639 40.800 0.178 0.000 0.948 473 D HN 0.152 nan 8.370 nan 0.000 0.460 474 L N 0.934 122.164 121.223 0.010 0.000 2.046 474 L HA -0.092 4.248 4.340 -0.001 0.000 0.208 474 L C 2.125 178.953 176.870 -0.071 0.000 1.077 474 L CA 1.745 56.524 54.840 -0.100 0.000 0.747 474 L CB -0.904 41.207 42.059 0.088 0.000 0.896 474 L HN -0.025 nan 8.230 nan 0.000 0.432 475 A N -1.275 121.468 122.820 -0.128 0.000 1.877 475 A HA -0.147 4.173 4.320 -0.001 0.000 0.216 475 A C 2.282 179.674 177.584 -0.320 0.000 1.186 475 A CA 1.960 53.798 52.037 -0.332 0.000 0.620 475 A CB -1.115 17.404 19.000 -0.803 0.000 0.822 475 A HN 0.286 nan 8.150 nan 0.000 0.443 476 V N -0.929 118.847 119.914 -0.229 0.000 2.287 476 V HA -0.288 3.832 4.120 -0.001 0.000 0.248 476 V C 2.307 178.358 176.094 -0.072 0.000 1.053 476 V CA 2.278 64.519 62.300 -0.099 0.000 1.027 476 V CB -1.012 30.815 31.823 0.006 0.000 0.646 476 V HN 0.673 nan 8.190 nan 0.000 0.447 477 F N 0.540 120.315 119.950 -0.293 0.000 2.095 477 F HA -0.254 4.273 4.527 -0.000 0.000 0.298 477 F C 2.529 178.122 175.800 -0.345 0.000 1.104 477 F CA 2.150 59.907 58.000 -0.404 0.000 1.232 477 F CB -0.432 37.931 39.000 -1.061 0.000 0.987 477 F HN 0.258 nan 8.300 nan 0.000 0.475 478 H N 0.146 118.905 119.070 -0.520 0.000 2.524 478 H HA 0.002 4.557 4.556 -0.001 0.000 0.282 478 H C 1.714 176.981 175.328 -0.102 0.000 1.016 478 H CA 1.045 56.716 56.048 -0.629 0.000 1.270 478 H CB -0.073 29.411 29.762 -0.463 0.000 1.394 478 H HN 0.401 nan 8.280 nan 0.000 0.568 479 K N 1.415 121.817 120.400 0.004 0.000 2.393 479 K HA 0.017 4.337 4.320 -0.001 0.000 0.193 479 K C 0.861 177.510 176.600 0.082 0.000 1.026 479 K CA -0.056 56.290 56.287 0.098 0.000 1.064 479 K CB 0.436 32.967 32.500 0.051 0.000 0.833 479 K HN 0.112 nan 8.250 nan 0.000 0.521 480 S N -0.053 115.645 115.700 -0.003 0.000 2.579 480 S HA 0.006 4.475 4.470 -0.001 0.000 0.275 480 S C 1.196 175.806 174.600 0.017 0.000 1.345 480 S CA -0.297 57.890 58.200 -0.022 0.000 1.031 480 S CB 1.306 64.468 63.200 -0.062 0.000 0.892 480 S HN 0.037 nan 8.310 nan 0.000 0.529 481 T N 2.616 117.156 114.554 -0.024 0.000 2.720 481 T HA -0.100 4.250 4.350 -0.001 0.000 0.268 481 T C 1.665 176.356 174.700 -0.015 0.000 1.037 481 T CA 1.850 63.953 62.100 0.005 0.000 1.144 481 T CB -0.562 68.240 68.868 -0.109 0.000 0.864 481 T HN 0.637 nan 8.240 nan 0.000 0.444 482 I N 0.162 120.643 120.570 -0.148 0.000 2.252 482 I HA -0.093 4.076 4.170 -0.001 0.000 0.245 482 I C 2.111 178.210 176.117 -0.030 0.000 1.102 482 I CA 1.202 62.427 61.300 -0.124 0.000 1.385 482 I CB -0.418 37.456 38.000 -0.210 0.000 1.064 482 I HN 0.171 nan 8.210 nan 0.000 0.414 483 F N 2.236 122.077 119.950 -0.182 0.000 2.095 483 F HA -0.257 4.270 4.527 -0.000 0.000 0.298 483 F C 2.435 178.150 175.800 -0.141 0.000 1.104 483 F CA 1.771 59.633 58.000 -0.230 0.000 1.232 483 F CB -0.134 38.510 39.000 -0.594 0.000 0.987 483 F HN -0.153 nan 8.300 nan 0.000 0.475 484 K N 0.106 120.284 120.400 -0.370 0.000 2.211 484 K HA -0.172 4.147 4.320 -0.001 0.000 0.203 484 K C 2.057 178.148 176.600 -0.849 0.000 1.050 484 K CA 1.079 56.942 56.287 -0.706 0.000 0.945 484 K CB -0.167 32.068 32.500 -0.443 0.000 0.732 484 K HN 0.274 nan 8.250 nan 0.000 0.451 485 K N 0.260 120.448 120.400 -0.354 0.000 2.057 485 K HA -0.191 4.129 4.320 -0.001 0.000 0.206 485 K C 2.085 178.511 176.600 -0.289 0.000 1.050 485 K CA 1.230 57.397 56.287 -0.201 0.000 0.935 485 K CB -0.135 32.362 32.500 -0.005 0.000 0.715 485 K HN 0.086 nan 8.250 nan 0.000 0.439 486 Y N 1.126 121.166 120.300 -0.432 0.000 2.145 486 Y HA -0.223 4.327 4.550 -0.000 0.000 0.286 486 Y C 1.866 177.453 175.900 -0.521 0.000 1.145 486 Y CA 1.317 59.177 58.100 -0.400 0.000 1.148 486 Y CB -0.462 37.823 38.460 -0.293 0.000 0.981 486 Y HN 0.051 nan 8.280 nan 0.000 0.507 487 L N 0.821 121.477 121.223 -0.944 0.000 2.043 487 L HA -0.169 4.170 4.340 -0.001 0.000 0.212 487 L C 2.428 178.802 176.870 -0.828 0.000 1.075 487 L CA 2.280 56.512 54.840 -1.013 0.000 0.752 487 L CB -1.245 40.077 42.059 -1.229 0.000 0.891 487 L HN 0.294 nan 8.230 nan 0.000 0.432 488 A N -1.070 121.294 122.820 -0.760 0.000 1.930 488 A HA -0.165 4.154 4.320 -0.001 0.000 0.217 488 A C 2.214 179.540 177.584 -0.429 0.000 1.175 488 A CA 1.713 53.396 52.037 -0.589 0.000 0.627 488 A CB -0.853 17.807 19.000 -0.567 0.000 0.815 488 A HN 0.470 nan 8.150 nan 0.000 0.443 489 L N -0.143 120.837 121.223 -0.406 0.000 2.056 489 L HA -0.064 4.276 4.340 -0.001 0.000 0.207 489 L C 2.257 178.926 176.870 -0.335 0.000 1.078 489 L CA 1.551 56.214 54.840 -0.294 0.000 0.749 489 L CB -0.403 41.527 42.059 -0.215 0.000 0.901 489 L HN 0.399 nan 8.230 nan 0.000 0.433 490 L N -1.004 119.915 121.223 -0.507 0.000 2.127 490 L HA -0.177 4.162 4.340 -0.001 0.000 0.211 490 L C 2.050 178.647 176.870 -0.454 0.000 1.089 490 L CA 1.830 56.390 54.840 -0.467 0.000 0.757 490 L CB -1.003 40.699 42.059 -0.594 0.000 0.899 490 L HN 0.564 nan 8.230 nan 0.000 0.434 491 T N -7.319 106.893 114.554 -0.570 0.000 2.975 491 T HA 0.129 4.479 4.350 -0.001 0.000 0.257 491 T C 0.996 175.528 174.700 -0.279 0.000 1.003 491 T CA 0.458 62.116 62.100 -0.736 0.000 0.932 491 T CB 0.636 68.849 68.868 -1.091 0.000 1.087 491 T HN 0.122 nan 8.240 nan 0.000 0.512 492 S N 0.686 116.248 115.700 -0.229 0.000 3.445 492 S HA -0.121 4.348 4.470 -0.001 0.000 0.319 492 S C 0.035 174.564 174.600 -0.119 0.000 1.209 492 S CA 0.613 58.736 58.200 -0.129 0.000 0.934 492 S CB -2.063 61.111 63.200 -0.045 0.000 0.999 492 S HN 0.691 nan 8.310 nan 0.000 0.582 493 L N 0.013 121.119 121.223 -0.195 0.000 2.334 493 L HA 0.636 4.975 4.340 -0.001 0.000 0.272 493 L C 0.488 177.221 176.870 -0.229 0.000 1.020 493 L CA -0.840 53.901 54.840 -0.164 0.000 0.812 493 L CB 1.723 43.691 42.059 -0.152 0.000 1.264 493 L HN 0.366 nan 8.230 nan 0.000 0.439 494 C N 4.064 123.275 119.300 -0.149 0.000 2.264 494 C HA 0.552 5.012 4.460 -0.001 0.000 0.322 494 C C -2.344 172.581 174.990 -0.108 0.000 1.210 494 C CA -2.090 56.852 59.018 -0.127 0.000 1.539 494 C CB 0.398 28.145 27.740 0.011 0.000 2.167 494 C HN 0.436 nan 8.230 nan 0.000 0.463 495 P HA 0.111 nan 4.420 nan 0.000 0.268 495 P C 0.482 177.860 177.300 0.130 0.000 1.204 495 P CA 0.263 63.289 63.100 -0.123 0.000 0.768 495 P CB 0.629 32.097 31.700 -0.387 0.000 0.842 496 V N -0.189 119.817 119.914 0.153 0.000 3.502 496 V HA 0.324 4.443 4.120 -0.001 0.000 0.288 496 V C 0.254 176.454 176.094 0.177 0.000 1.461 496 V CA 0.473 62.875 62.300 0.171 0.000 1.029 496 V CB -0.285 31.609 31.823 0.117 0.000 0.843 496 V HN 0.629 nan 8.190 nan 0.000 0.438 497 S N 0.282 116.110 115.700 0.213 0.000 2.588 497 S HA 0.779 5.249 4.470 -0.001 0.000 0.269 497 S C -1.216 173.543 174.600 0.265 0.000 1.157 497 S CA -0.149 58.168 58.200 0.195 0.000 0.824 497 S CB 2.487 65.764 63.200 0.128 0.000 1.126 497 S HN 0.854 nan 8.310 nan 0.000 0.464 498 E N 0.233 120.530 120.200 0.162 0.000 2.372 498 E HA 0.544 4.894 4.350 -0.001 0.000 0.279 498 E C -1.686 174.888 176.600 -0.042 0.000 0.946 498 E CA -0.877 55.545 56.400 0.037 0.000 0.769 498 E CB 1.807 31.616 29.700 0.180 0.000 1.230 498 E HN 0.722 nan 8.360 nan 0.000 0.442 499 Q N 2.769 122.459 119.800 -0.184 0.000 2.305 499 Q HA 0.440 4.779 4.340 -0.001 0.000 0.271 499 Q C -1.460 174.437 176.000 -0.171 0.000 1.046 499 Q CA -0.879 54.858 55.803 -0.112 0.000 0.798 499 Q CB 1.601 30.279 28.738 -0.101 0.000 1.286 499 Q HN 0.575 nan 8.270 nan 0.000 0.435 500 I N 4.890 125.445 120.570 -0.026 0.000 2.509 500 I HA 0.497 4.666 4.170 -0.001 0.000 0.293 500 I C -0.678 175.507 176.117 0.114 0.000 1.020 500 I CA -0.704 60.575 61.300 -0.035 0.000 1.088 500 I CB 1.542 39.489 38.000 -0.089 0.000 1.267 500 I HN 0.642 nan 8.210 nan 0.000 0.430 501 L N 6.090 127.348 121.223 0.058 0.000 2.401 501 L HA 0.590 4.930 4.340 -0.001 0.000 0.266 501 L C -0.587 176.361 176.870 0.130 0.000 0.991 501 L CA -0.632 54.300 54.840 0.152 0.000 0.818 501 L CB 2.822 44.935 42.059 0.091 0.000 1.321 501 L HN 0.358 nan 8.230 nan 0.000 0.413 502 I N 2.601 123.289 120.570 0.196 0.000 2.331 502 I HA 0.437 4.607 4.170 -0.001 0.000 0.292 502 I C -0.158 176.113 176.117 0.257 0.000 0.998 502 I CA -0.263 61.153 61.300 0.194 0.000 1.267 502 I CB 0.950 39.055 38.000 0.173 0.000 1.386 502 I HN 0.516 nan 8.210 nan 0.000 0.476 503 R N 5.704 126.342 120.500 0.230 0.000 2.670 503 R HA 0.660 5.000 4.340 -0.001 0.000 0.289 503 R C -0.639 175.681 176.300 0.034 0.000 0.965 503 R CA -1.020 55.161 56.100 0.134 0.000 0.899 503 R CB 2.512 32.730 30.300 -0.137 0.000 1.173 503 R HN 0.481 nan 8.270 nan 0.000 0.456 504 R N 2.723 123.106 120.500 -0.194 0.000 2.476 504 R HA 0.321 4.660 4.340 -0.001 0.000 0.305 504 R C -1.444 174.557 176.300 -0.498 0.000 0.965 504 R CA -0.572 55.209 56.100 -0.531 0.000 0.867 504 R CB 0.972 30.666 30.300 -1.011 0.000 1.176 504 R HN 0.472 nan 8.270 nan 0.000 0.447 505 F N 4.080 123.852 119.950 -0.295 0.000 2.308 505 F HA 0.455 4.982 4.527 -0.001 0.000 0.370 505 F C 0.724 176.397 175.800 -0.212 0.000 1.100 505 F CA -0.673 57.212 58.000 -0.192 0.000 1.108 505 F CB 1.047 39.952 39.000 -0.158 0.000 1.293 505 F HN 0.231 nan 8.300 nan 0.000 0.478 506 R N 3.605 124.016 120.500 -0.147 0.000 2.537 506 R HA 0.185 4.525 4.340 -0.001 0.000 0.280 506 R C -2.429 173.765 176.300 -0.177 0.000 1.058 506 R CA -1.524 54.453 56.100 -0.206 0.000 1.057 506 R CB -0.072 29.927 30.300 -0.501 0.000 0.973 506 R HN 0.244 nan 8.270 nan 0.000 0.438 507 P HA -0.034 nan 4.420 nan 0.000 0.261 507 P C 0.149 177.029 177.300 -0.700 0.000 1.183 507 P CA 1.117 64.067 63.100 -0.250 0.000 0.761 507 P CB 0.665 32.351 31.700 -0.024 0.000 0.785 511 F N -1.887 118.338 119.950 0.459 0.000 2.804 511 F HA 0.565 5.092 4.527 -0.001 0.000 0.320 511 F C -1.331 174.690 175.800 0.368 0.000 1.135 511 F CA -0.860 57.347 58.000 0.346 0.000 0.947 511 F CB 0.660 39.827 39.000 0.277 0.000 1.260 511 F HN 0.278 nan 8.300 nan 0.000 0.447 512 T N 0.610 115.319 114.554 0.258 0.000 2.926 512 T HA 0.870 5.219 4.350 -0.001 0.000 0.289 512 T C -1.008 173.871 174.700 0.299 0.000 1.054 512 T CA -0.944 61.231 62.100 0.127 0.000 1.015 512 T CB 1.984 70.920 68.868 0.114 0.000 1.167 512 T HN 0.867 nan 8.240 nan 0.000 0.526 513 L N 0.699 122.012 121.223 0.150 0.000 2.313 513 L HA 0.728 5.068 4.340 -0.001 0.000 0.268 513 L C 0.664 177.516 176.870 -0.030 0.000 1.010 513 L CA -1.755 53.084 54.840 -0.001 0.000 0.814 513 L CB 1.484 43.552 42.059 0.015 0.000 1.304 513 L HN 0.980 nan 8.230 nan 0.000 0.441 514 A N 1.139 123.850 122.820 -0.181 0.000 2.515 514 A HA 0.467 4.787 4.320 -0.001 0.000 0.263 514 A C 0.154 177.732 177.584 -0.010 0.000 1.096 514 A CA 0.223 52.257 52.037 -0.005 0.000 0.769 514 A CB -0.595 18.374 19.000 -0.052 0.000 1.040 514 A HN 0.723 nan 8.150 nan 0.000 0.505 515 T N 0.597 115.156 114.554 0.009 0.000 2.864 515 T HA 0.646 4.996 4.350 -0.001 0.000 0.299 515 T C -0.479 174.205 174.700 -0.028 0.000 1.166 515 T CA -1.046 61.039 62.100 -0.026 0.000 1.007 515 T CB 1.177 70.020 68.868 -0.043 0.000 1.219 515 T HN 0.593 nan 8.240 nan 0.000 0.506 516 K N 0.414 120.786 120.400 -0.048 0.000 2.090 516 K HA 0.594 4.914 4.320 -0.001 0.000 0.250 516 K C 0.732 177.296 176.600 -0.060 0.000 1.004 516 K CA -0.889 55.364 56.287 -0.057 0.000 0.919 516 K CB 0.659 33.099 32.500 -0.100 0.000 1.045 516 K HN 0.936 nan 8.250 nan 0.000 0.471 517 C N -0.081 119.194 119.300 -0.042 0.000 2.700 517 C HA 0.322 4.781 4.460 -0.001 0.000 0.397 517 C C 0.343 175.290 174.990 -0.072 0.000 1.301 517 C CA -0.888 58.123 59.018 -0.010 0.000 2.219 517 C CB -0.163 27.629 27.740 0.087 0.000 2.699 517 C HN 0.764 nan 8.230 nan 0.000 0.669 518 R N 1.983 122.476 120.500 -0.011 0.000 2.265 518 R HA 0.446 4.785 4.340 -0.001 0.000 0.328 518 R C -0.866 175.527 176.300 0.156 0.000 0.969 518 R CA -0.530 55.561 56.100 -0.015 0.000 0.832 518 R CB 0.348 30.629 30.300 -0.032 0.000 1.139 518 R HN 0.741 nan 8.270 nan 0.000 0.457 519 F N 2.163 122.105 119.950 -0.013 0.000 2.563 519 F HA -0.003 4.523 4.527 -0.001 0.000 0.363 519 F C 1.319 177.113 175.800 -0.010 0.000 1.123 519 F CA -0.653 57.344 58.000 -0.004 0.000 1.307 519 F CB 0.106 39.105 39.000 -0.002 0.000 1.115 519 F HN 0.399 nan 8.300 nan 0.000 0.592 520 N N 2.818 121.621 118.700 0.171 0.000 2.412 520 N HA -0.098 4.642 4.740 -0.001 0.000 0.279 520 N C 1.248 176.803 175.510 0.075 0.000 1.287 520 N CA 0.251 53.351 53.050 0.083 0.000 0.948 520 N CB 0.206 38.720 38.487 0.045 0.000 1.255 520 N HN 0.540 nan 8.380 nan 0.000 0.485 521 E N 3.295 123.533 120.200 0.064 0.000 2.108 521 E HA -0.230 4.120 4.350 -0.001 0.000 0.203 521 E C 1.479 178.099 176.600 0.033 0.000 1.022 521 E CA 1.375 57.804 56.400 0.049 0.000 0.823 521 E CB -0.313 29.399 29.700 0.020 0.000 0.744 521 E HN 0.642 nan 8.360 nan 0.000 0.456 522 L N -0.599 120.636 121.223 0.020 0.000 2.275 522 L HA -0.059 4.281 4.340 -0.001 0.000 0.215 522 L C 1.544 178.419 176.870 0.009 0.000 1.119 522 L CA 1.076 55.923 54.840 0.011 0.000 0.790 522 L CB -0.049 42.015 42.059 0.008 0.000 0.919 522 L HN 0.209 nan 8.230 nan 0.000 0.443 523 L N -1.630 119.598 121.223 0.009 0.000 2.616 523 L HA 0.094 4.433 4.340 -0.001 0.000 0.229 523 L C 2.026 178.885 176.870 -0.018 0.000 1.110 523 L CA 0.664 55.501 54.840 -0.005 0.000 0.884 523 L CB -0.536 41.517 42.059 -0.011 0.000 1.115 523 L HN 0.124 nan 8.230 nan 0.000 0.481 524 K N -0.632 119.767 120.400 -0.001 0.000 2.211 524 K HA -0.102 4.217 4.320 -0.001 0.000 0.204 524 K C 1.747 178.344 176.600 -0.005 0.000 1.047 524 K CA 1.491 57.779 56.287 0.003 0.000 0.935 524 K CB 0.040 32.574 32.500 0.056 0.000 0.728 524 K HN 0.271 nan 8.250 nan 0.000 0.452 525 S N 0.401 116.099 115.700 -0.003 0.000 2.501 525 S HA -0.050 4.419 4.470 -0.001 0.000 0.220 525 S C 0.586 175.179 174.600 -0.011 0.000 0.997 525 S CA -0.202 57.996 58.200 -0.004 0.000 0.919 525 S CB -0.196 63.004 63.200 -0.000 0.000 0.778 525 S HN 0.360 nan 8.310 nan 0.000 0.523 526 N N 3.131 121.821 118.700 -0.017 0.000 2.416 526 N HA 0.081 4.820 4.740 -0.001 0.000 0.265 526 N C -1.861 173.634 175.510 -0.025 0.000 1.195 526 N CA -1.444 51.596 53.050 -0.017 0.000 0.943 526 N CB 1.000 39.478 38.487 -0.015 0.000 1.115 526 N HN 0.003 nan 8.380 nan 0.000 0.481 527 P HA -0.024 nan 4.420 nan 0.000 0.227 527 P C 0.328 177.614 177.300 -0.023 0.000 1.161 527 P CA 0.672 63.760 63.100 -0.021 0.000 0.788 527 P CB 0.367 32.060 31.700 -0.013 0.000 0.822 528 D N 0.053 120.443 120.400 -0.017 0.000 2.178 528 D HA -0.035 4.605 4.640 -0.001 0.000 0.201 528 D C 0.863 177.149 176.300 -0.022 0.000 0.980 528 D CA 0.728 54.720 54.000 -0.013 0.000 0.842 528 D CB -0.345 40.454 40.800 -0.002 0.000 0.948 528 D HN 0.233 nan 8.370 nan 0.000 0.472 529 I N 2.373 122.924 120.570 -0.033 0.000 2.396 529 I HA -0.011 4.159 4.170 -0.001 0.000 0.289 529 I C 0.468 176.532 176.117 -0.090 0.000 1.056 529 I CA -0.593 60.677 61.300 -0.050 0.000 1.365 529 I CB 1.036 39.008 38.000 -0.047 0.000 1.407 529 I HN -0.187 nan 8.210 nan 0.000 0.509 530 I N 5.531 126.047 120.570 -0.089 0.000 2.752 530 I HA -0.066 4.103 4.170 -0.001 0.000 0.287 530 I C 0.496 176.477 176.117 -0.228 0.000 1.188 530 I CA 0.192 61.427 61.300 -0.109 0.000 1.427 530 I CB -0.071 37.891 38.000 -0.064 0.000 1.365 530 I HN 0.522 nan 8.210 nan 0.000 0.585 531 D N 5.431 125.687 120.400 -0.240 0.000 2.767 531 D HA 0.447 5.086 4.640 -0.001 0.000 0.231 531 D C 0.120 176.209 176.300 -0.353 0.000 1.105 531 D CA 0.385 54.108 54.000 -0.463 0.000 1.024 531 D CB -0.020 40.686 40.800 -0.156 0.000 1.123 531 D HN 0.646 nan 8.370 nan 0.000 0.470 532 A N -0.215 122.381 122.820 -0.374 0.000 2.605 532 A HA 0.568 4.888 4.320 -0.001 0.000 0.294 532 A C -1.210 176.391 177.584 0.028 0.000 1.062 532 A CA -0.715 51.315 52.037 -0.011 0.000 0.682 532 A CB 1.317 20.339 19.000 0.036 0.000 1.278 532 A HN 0.016 nan 8.150 nan 0.000 0.410 533 V N 1.830 121.849 119.914 0.175 0.000 2.417 533 V HA 0.459 4.579 4.120 -0.001 0.000 0.291 533 V C -0.252 175.942 176.094 0.167 0.000 1.024 533 V CA -0.545 61.851 62.300 0.160 0.000 0.861 533 V CB 1.238 33.167 31.823 0.177 0.000 0.985 533 V HN 0.834 nan 8.190 nan 0.000 0.436 534 L N 4.538 125.886 121.223 0.207 0.000 2.360 534 L HA 0.447 4.787 4.340 -0.001 0.000 0.276 534 L C 0.078 177.141 176.870 0.321 0.000 1.121 534 L CA 0.688 55.693 54.840 0.276 0.000 0.845 534 L CB 0.679 42.927 42.059 0.314 0.000 1.143 534 L HN 0.861 nan 8.230 nan 0.000 0.452 535 E N 3.071 123.405 120.200 0.224 0.000 2.224 535 E HA 0.655 5.004 4.350 -0.001 0.000 0.265 535 E C -0.881 175.755 176.600 0.059 0.000 0.878 535 E CA -0.716 55.745 56.400 0.103 0.000 0.759 535 E CB 1.375 31.127 29.700 0.087 0.000 1.164 535 E HN 0.797 nan 8.360 nan 0.000 0.414 536 G N 1.887 110.679 108.800 -0.013 0.000 2.420 536 G HA2 0.582 4.541 3.960 -0.001 0.000 0.331 536 G HA3 0.582 4.541 3.960 -0.001 0.000 0.331 536 G C -0.961 173.746 174.900 -0.323 0.000 1.168 536 G CA -0.449 44.530 45.100 -0.201 0.000 0.936 536 G HN 0.401 nan 8.290 nan 0.000 0.479 537 T N 1.863 116.080 114.554 -0.561 0.000 3.031 537 T HA 0.320 4.670 4.350 -0.001 0.000 0.305 537 T C -0.562 173.936 174.700 -0.338 0.000 0.985 537 T CA -0.374 61.525 62.100 -0.334 0.000 1.008 537 T CB 1.387 70.123 68.868 -0.219 0.000 1.005 537 T HN 0.382 nan 8.240 nan 0.000 0.444 538 L N 3.066 124.227 121.223 -0.104 0.000 2.272 538 L HA 0.459 4.798 4.340 -0.001 0.000 0.284 538 L C 0.017 176.866 176.870 -0.034 0.000 1.045 538 L CA -0.605 54.249 54.840 0.023 0.000 0.842 538 L CB 0.150 42.270 42.059 0.102 0.000 1.224 538 L HN 0.791 nan 8.230 nan 0.000 0.430 539 C N 5.816 125.073 119.300 -0.072 0.000 2.514 539 C HA 0.336 4.796 4.460 -0.001 0.000 0.392 539 C C 0.707 175.613 174.990 -0.141 0.000 1.294 539 C CA -0.413 58.558 59.018 -0.078 0.000 1.957 539 C CB -0.359 27.322 27.740 -0.099 0.000 2.541 539 C HN 0.777 nan 8.230 nan 0.000 0.569 540 L N 6.119 127.311 121.223 -0.052 0.000 2.913 540 L HA 0.222 4.562 4.340 -0.001 0.000 0.283 540 L C 0.150 177.202 176.870 0.303 0.000 1.336 540 L CA 0.186 54.922 54.840 -0.173 0.000 0.815 540 L CB 0.372 42.354 42.059 -0.128 0.000 1.188 540 L HN 0.695 nan 8.230 nan 0.000 0.551 541 T N 1.561 116.323 114.554 0.346 0.000 2.733 541 T HA 0.234 4.584 4.350 -0.001 0.000 0.294 541 T C -1.607 173.427 174.700 0.558 0.000 0.956 541 T CA -1.062 61.275 62.100 0.395 0.000 0.987 541 T CB 1.595 70.486 68.868 0.038 0.000 0.920 541 T HN 0.123 nan 8.240 nan 0.000 0.470 542 P HA 0.035 nan 4.420 nan 0.000 0.230 542 P C 0.626 178.025 177.300 0.165 0.000 1.168 542 P CA 0.166 63.345 63.100 0.131 0.000 0.793 542 P CB 0.246 31.900 31.700 -0.077 0.000 0.851 543 S N -0.188 115.716 115.700 0.340 0.000 2.686 543 S HA 0.670 5.139 4.470 -0.001 0.000 0.270 543 S C 0.277 175.097 174.600 0.367 0.000 1.194 543 S CA -0.574 57.810 58.200 0.307 0.000 0.990 543 S CB 0.896 64.285 63.200 0.315 0.000 1.029 543 S HN 0.228 nan 8.310 nan 0.000 0.560 544 A N -1.077 121.837 122.820 0.156 0.000 2.346 544 A HA 0.853 5.172 4.320 -0.001 0.000 0.313 544 A C 0.842 178.352 177.584 -0.124 0.000 1.140 544 A CA -0.462 51.640 52.037 0.109 0.000 0.826 544 A CB 0.358 19.402 19.000 0.072 0.000 1.332 544 A HN 2.363 nan 8.150 nan 0.000 0.457 545 G N -2.219 106.545 108.800 -0.060 0.000 2.163 545 G HA2 -0.219 3.740 3.960 -0.001 0.000 0.213 545 G HA3 -0.219 3.740 3.960 -0.001 0.000 0.213 545 G C 0.400 175.207 174.900 -0.155 0.000 0.991 545 G CA 0.567 45.580 45.100 -0.145 0.000 0.653 545 G HN 0.759 nan 8.290 nan 0.000 0.518 546 W N 0.712 122.061 121.300 0.082 0.000 2.658 546 W HA 0.383 5.042 4.660 -0.000 0.000 0.263 546 W C 2.080 178.648 176.519 0.080 0.000 1.274 546 W CA 0.865 58.263 57.345 0.088 0.000 1.343 546 W CB 0.089 29.605 29.460 0.094 0.000 1.106 546 W HN 0.327 nan 8.180 nan 0.000 0.615 547 E N 0.454 120.810 120.200 0.260 0.000 2.114 547 E HA -0.269 4.080 4.350 -0.001 0.000 0.199 547 E C 2.156 178.831 176.600 0.125 0.000 1.008 547 E CA 2.250 58.755 56.400 0.175 0.000 0.810 547 E CB -0.794 28.982 29.700 0.126 0.000 0.739 547 E HN 0.197 nan 8.360 nan 0.000 0.456 548 S N -1.272 114.495 115.700 0.112 0.000 2.593 548 S HA 0.192 4.661 4.470 -0.001 0.000 0.217 548 S C 1.741 176.389 174.600 0.080 0.000 0.966 548 S CA 0.411 58.657 58.200 0.077 0.000 0.914 548 S CB 0.153 63.394 63.200 0.068 0.000 0.776 548 S HN 0.435 nan 8.310 nan 0.000 0.523 549 G N 1.527 110.417 108.800 0.150 0.000 2.184 549 G HA2 -0.296 3.663 3.960 -0.001 0.000 0.264 549 G HA3 -0.296 3.663 3.960 -0.001 0.000 0.264 549 G C 0.743 175.817 174.900 0.291 0.000 0.975 549 G CA 0.490 45.722 45.100 0.220 0.000 0.642 549 G HN 0.537 nan 8.290 nan 0.000 0.536 550 E N -0.030 120.289 120.200 0.198 0.000 2.268 550 E HA 0.042 4.392 4.350 -0.001 0.000 0.195 550 E C 2.520 179.234 176.600 0.190 0.000 0.995 550 E CA 0.777 57.286 56.400 0.182 0.000 0.836 550 E CB -0.058 29.713 29.700 0.118 0.000 0.763 550 E HN 0.645 nan 8.360 nan 0.000 0.491 551 L N -0.207 121.121 121.223 0.174 0.000 2.567 551 L HA 0.133 4.473 4.340 -0.001 0.000 0.225 551 L C 1.214 178.217 176.870 0.220 0.000 1.119 551 L CA 0.305 55.204 54.840 0.099 0.000 0.871 551 L CB -0.377 41.572 42.059 -0.184 0.000 1.036 551 L HN 0.122 nan 8.230 nan 0.000 0.459 552 G N -0.012 108.986 108.800 0.330 0.000 2.642 552 G HA2 -0.056 3.904 3.960 -0.001 0.000 0.231 552 G HA3 -0.056 3.904 3.960 -0.001 0.000 0.231 552 G C 0.670 175.703 174.900 0.222 0.000 1.338 552 G CA -0.334 44.897 45.100 0.219 0.000 0.883 552 G HN 0.577 nan 8.290 nan 0.000 0.570 553 G N -2.493 106.232 108.800 -0.125 0.000 2.179 553 G HA2 0.010 3.969 3.960 -0.001 0.000 0.260 553 G HA3 0.010 3.969 3.960 -0.001 0.000 0.260 553 G C 0.618 175.301 174.900 -0.361 0.000 0.977 553 G CA 1.487 46.406 45.100 -0.300 0.000 0.641 553 G HN 2.363 nan 8.290 nan 0.000 0.533 554 Y N 0.304 120.508 120.300 -0.159 0.000 2.411 554 Y HA 0.696 5.246 4.550 -0.001 0.000 0.333 554 Y C 0.502 176.204 175.900 -0.329 0.000 1.186 554 Y CA -0.922 57.057 58.100 -0.201 0.000 1.381 554 Y CB 0.779 39.176 38.460 -0.105 0.000 1.273 554 Y HN 0.263 nan 8.280 nan 0.000 0.546 555 E N 3.957 124.064 120.200 -0.156 0.000 2.229 555 E HA 0.250 4.600 4.350 -0.001 0.000 0.283 555 E C -1.536 174.940 176.600 -0.207 0.000 1.030 555 E CA -0.700 55.536 56.400 -0.272 0.000 0.836 555 E CB 0.738 30.325 29.700 -0.189 0.000 1.068 555 E HN 0.675 nan 8.360 nan 0.000 0.401 556 L N 6.489 127.417 121.223 -0.492 0.000 2.325 556 L HA 0.415 4.754 4.340 -0.001 0.000 0.281 556 L C -1.573 175.029 176.870 -0.447 0.000 1.004 556 L CA -0.456 54.127 54.840 -0.428 0.000 0.823 556 L CB 0.613 42.216 42.059 -0.760 0.000 1.236 556 L HN 0.694 nan 8.230 nan 0.000 0.415 587 S N 0.504 116.218 115.700 0.024 0.000 2.539 587 S HA 0.230 4.699 4.470 -0.001 0.000 0.221 587 S C 0.448 175.069 174.600 0.034 0.000 0.987 587 S CA -0.332 57.885 58.200 0.027 0.000 0.929 587 S CB 0.208 63.427 63.200 0.031 0.000 0.832 587 S HN 0.277 nan 8.310 nan 0.000 0.492 588 V N 3.110 123.042 119.914 0.031 0.000 2.479 588 V HA 0.193 4.313 4.120 -0.001 0.000 0.281 588 V C 1.137 177.247 176.094 0.026 0.000 1.031 588 V CA 0.059 62.379 62.300 0.034 0.000 1.038 588 V CB 0.474 32.308 31.823 0.018 0.000 0.981 588 V HN 0.462 nan 8.190 nan 0.000 0.478 589 L N 5.360 126.609 121.223 0.043 0.000 2.253 589 L HA 0.369 4.709 4.340 -0.001 0.000 0.205 589 L C 0.431 177.309 176.870 0.014 0.000 1.078 589 L CA 0.982 55.835 54.840 0.022 0.000 0.805 589 L CB 0.170 42.241 42.059 0.020 0.000 0.963 589 L HN 0.447 nan 8.230 nan 0.000 0.459 590 I N -0.440 120.164 120.570 0.056 0.000 2.692 590 I HA 0.259 4.428 4.170 -0.001 0.000 0.293 590 I C -1.251 174.891 176.117 0.041 0.000 1.200 590 I CA -0.537 60.791 61.300 0.047 0.000 1.036 590 I CB 2.397 40.433 38.000 0.060 0.000 1.258 590 I HN -0.056 nan 8.210 nan 0.000 0.421 591 N N 3.894 122.591 118.700 -0.005 0.000 2.653 591 N HA 0.272 5.011 4.740 -0.001 0.000 0.261 591 N C -1.884 173.602 175.510 -0.039 0.000 1.216 591 N CA -0.340 52.678 53.050 -0.054 0.000 0.784 591 N CB 1.198 39.607 38.487 -0.130 0.000 1.327 591 N HN 0.471 nan 8.380 nan 0.000 0.539 592 D N 3.323 123.724 120.400 0.001 0.000 2.453 592 D HA 0.384 5.024 4.640 -0.001 0.000 0.238 592 D C -2.212 174.105 176.300 0.028 0.000 1.088 592 D CA -1.199 52.803 54.000 0.005 0.000 0.854 592 D CB 1.964 42.755 40.800 -0.014 0.000 1.076 592 D HN 0.318 nan 8.370 nan 0.000 0.533 593 P HA 0.141 nan 4.420 nan 0.000 0.269 593 P C -2.549 174.705 177.300 -0.076 0.000 1.215 593 P CA -1.235 61.921 63.100 0.093 0.000 0.780 593 P CB -0.153 31.670 31.700 0.205 0.000 0.898 594 P HA 0.163 nan 4.420 nan 0.000 0.265 594 P C -0.488 176.635 177.300 -0.295 0.000 1.187 594 P CA 0.788 63.563 63.100 -0.542 0.000 0.766 594 P CB 0.165 31.066 31.700 -1.331 0.000 0.820 595 A N 2.735 125.489 122.820 -0.110 0.000 2.533 595 A HA 0.578 4.898 4.320 -0.001 0.000 0.293 595 A C -1.856 175.834 177.584 0.178 0.000 1.228 595 A CA -0.687 51.400 52.037 0.084 0.000 0.689 595 A CB 1.037 20.096 19.000 0.100 0.000 1.303 595 A HN 0.609 nan 8.150 nan 0.000 0.444 596 W N 1.789 123.129 121.300 0.068 0.000 2.361 596 W HA 0.368 5.028 4.660 -0.000 0.000 0.309 596 W C 0.370 176.951 176.519 0.103 0.000 1.122 596 W CA 0.326 57.719 57.345 0.081 0.000 1.208 596 W CB 0.858 30.369 29.460 0.085 0.000 1.246 596 W HN 1.016 nan 8.180 nan 0.000 0.490 597 N N 3.554 121.808 118.700 -0.743 0.000 2.754 597 N HA -0.224 4.516 4.740 -0.001 0.000 0.248 597 N C -0.558 174.911 175.510 -0.068 0.000 1.093 597 N CA 0.933 53.674 53.050 -0.515 0.000 0.699 597 N CB -0.715 37.456 38.487 -0.527 0.000 1.016 597 N HN 0.480 nan 8.380 nan 0.000 0.552 598 T N -1.797 112.735 114.554 -0.037 0.000 2.929 598 T HA 0.596 4.946 4.350 -0.001 0.000 0.284 598 T C -0.534 174.199 174.700 0.054 0.000 1.014 598 T CA -0.685 61.443 62.100 0.047 0.000 1.051 598 T CB 1.774 70.657 68.868 0.024 0.000 1.028 598 T HN 0.262 nan 8.240 nan 0.000 0.485 599 F N 2.285 122.145 119.950 -0.150 0.000 2.539 599 F HA 0.540 5.066 4.527 -0.001 0.000 0.328 599 F C -1.117 174.572 175.800 -0.185 0.000 1.148 599 F CA -1.022 56.807 58.000 -0.285 0.000 0.940 599 F CB 1.501 40.077 39.000 -0.708 0.000 1.194 599 F HN 0.540 nan 8.300 nan 0.000 0.438 600 N N 5.538 123.847 118.700 -0.652 0.000 2.421 600 N HA 0.505 5.244 4.740 -0.001 0.000 0.285 600 N C -1.712 173.355 175.510 -0.738 0.000 1.027 600 N CA -0.430 52.317 53.050 -0.506 0.000 0.918 600 N CB 2.089 40.402 38.487 -0.289 0.000 1.152 600 N HN 0.601 nan 8.380 nan 0.000 0.485 601 L N 2.577 123.561 121.223 -0.397 0.000 2.356 601 L HA 0.626 4.966 4.340 -0.001 0.000 0.277 601 L C -1.333 175.477 176.870 -0.100 0.000 0.996 601 L CA -0.688 54.029 54.840 -0.204 0.000 0.822 601 L CB 1.675 43.746 42.059 0.020 0.000 1.256 601 L HN 0.252 nan 8.230 nan 0.000 0.413 602 V N 5.516 125.373 119.914 -0.094 0.000 2.686 602 V HA 0.424 4.543 4.120 -0.001 0.000 0.306 602 V C -0.808 175.288 176.094 0.003 0.000 1.065 602 V CA -0.636 61.566 62.300 -0.165 0.000 0.894 602 V CB 1.916 33.405 31.823 -0.557 0.000 1.004 602 V HN 0.625 nan 8.190 nan 0.000 0.424 603 L N 6.032 127.270 121.223 0.026 0.000 2.270 603 L HA 0.547 4.887 4.340 -0.001 0.000 0.286 603 L C 0.334 177.220 176.870 0.027 0.000 1.059 603 L CA 0.163 55.048 54.840 0.076 0.000 0.839 603 L CB 0.346 42.468 42.059 0.106 0.000 1.221 603 L HN 0.579 nan 8.230 nan 0.000 0.431 604 R N 2.827 123.374 120.500 0.078 0.000 2.308 604 R HA 0.322 4.662 4.340 -0.001 0.000 0.305 604 R C -0.351 176.035 176.300 0.143 0.000 1.053 604 R CA -0.656 55.505 56.100 0.102 0.000 0.957 604 R CB 0.530 30.921 30.300 0.152 0.000 1.022 604 R HN 0.687 nan 8.270 nan 0.000 0.461 605 D N 1.141 121.613 120.400 0.119 0.000 2.433 605 D HA -0.084 4.556 4.640 -0.001 0.000 0.255 605 D C 0.912 177.307 176.300 0.158 0.000 1.226 605 D CA -0.591 53.513 54.000 0.173 0.000 1.015 605 D CB 0.525 41.391 40.800 0.111 0.000 1.091 605 D HN 0.573 nan 8.370 nan 0.000 0.527 606 E N -0.368 119.913 120.200 0.136 0.000 2.409 606 E HA -0.161 4.189 4.350 -0.001 0.000 0.198 606 E C 1.073 177.628 176.600 -0.076 0.000 1.024 606 E CA 1.010 57.339 56.400 -0.117 0.000 0.861 606 E CB -0.364 29.143 29.700 -0.321 0.000 0.788 606 E HN 0.430 nan 8.360 nan 0.000 0.521 607 S N 0.111 115.808 115.700 -0.005 0.000 2.503 607 S HA 0.115 4.585 4.470 -0.001 0.000 0.217 607 S C 0.988 175.599 174.600 0.019 0.000 0.999 607 S CA -0.326 57.872 58.200 -0.003 0.000 0.914 607 S CB -0.027 63.178 63.200 0.008 0.000 0.782 607 S HN 0.045 nan 8.310 nan 0.000 0.520 608 V N 2.916 122.856 119.914 0.044 0.000 2.572 608 V HA 0.296 4.416 4.120 -0.001 0.000 0.291 608 V C 0.009 176.148 176.094 0.075 0.000 1.039 608 V CA -0.129 62.220 62.300 0.082 0.000 1.055 608 V CB 0.762 32.663 31.823 0.130 0.000 0.969 608 V HN 0.441 nan 8.190 nan 0.000 0.482 609 L N 4.835 126.103 121.223 0.075 0.000 2.331 609 L HA 0.698 5.037 4.340 -0.001 0.000 0.275 609 L C 0.004 176.872 176.870 -0.003 0.000 1.022 609 L CA -0.256 54.612 54.840 0.046 0.000 0.812 609 L CB 1.638 43.735 42.059 0.064 0.000 1.257 609 L HN 0.589 nan 8.230 nan 0.000 0.435 610 E N 2.940 123.097 120.200 -0.072 0.000 2.356 610 E HA 0.553 4.903 4.350 -0.001 0.000 0.275 610 E C -1.844 174.721 176.600 -0.059 0.000 0.904 610 E CA -0.486 55.718 56.400 -0.326 0.000 0.757 610 E CB 2.787 32.118 29.700 -0.615 0.000 1.232 610 E HN 0.368 nan 8.360 nan 0.000 0.442 611 F N -0.099 119.667 119.950 -0.305 0.000 2.719 611 F HA 0.552 5.078 4.527 -0.001 0.000 0.309 611 F C -1.897 173.742 175.800 -0.269 0.000 1.138 611 F CA -1.027 56.842 58.000 -0.219 0.000 0.943 611 F CB 0.687 39.618 39.000 -0.115 0.000 1.304 611 F HN 0.039 nan 8.300 nan 0.000 0.445 612 V N 2.670 122.482 119.914 -0.170 0.000 2.427 612 V HA 0.408 4.528 4.120 -0.001 0.000 0.286 612 V C -0.097 175.916 176.094 -0.135 0.000 1.034 612 V CA -0.699 61.357 62.300 -0.408 0.000 0.893 612 V CB 1.355 32.734 31.823 -0.740 0.000 0.982 612 V HN 0.788 nan 8.190 nan 0.000 0.452 613 K N 4.546 124.714 120.400 -0.387 0.000 2.350 613 K HA 0.130 4.449 4.320 -0.001 0.000 0.279 613 K C -0.345 176.216 176.600 -0.064 0.000 1.027 613 K CA -0.240 55.935 56.287 -0.186 0.000 0.969 613 K CB 0.092 32.077 32.500 -0.858 0.000 0.954 613 K HN 0.546 nan 8.250 nan 0.000 0.474 614 Y N 3.639 123.953 120.300 0.024 0.000 3.064 614 Y HA -0.091 4.458 4.550 -0.001 0.000 0.361 614 Y C -0.660 175.222 175.900 -0.030 0.000 1.249 614 Y CA 0.510 58.619 58.100 0.014 0.000 1.605 614 Y CB 0.141 38.495 38.460 -0.176 0.000 1.131 614 Y HN 0.299 nan 8.280 nan 0.000 0.589 615 V N 7.879 127.429 119.914 -0.608 0.000 2.461 615 V HA 0.137 4.256 4.120 -0.001 0.000 0.275 615 V C 0.430 175.993 176.094 -0.886 0.000 1.047 615 V CA -0.230 61.795 62.300 -0.457 0.000 0.955 615 V CB 1.116 32.857 31.823 -0.138 0.000 0.988 615 V HN 0.890 nan 8.190 nan 0.000 0.471 616 S N 3.463 118.903 115.700 -0.433 0.000 2.585 616 S HA 0.107 4.577 4.470 -0.001 0.000 0.273 616 S C 0.751 175.286 174.600 -0.107 0.000 1.339 616 S CA -0.220 57.839 58.200 -0.234 0.000 1.028 616 S CB 0.370 63.594 63.200 0.039 0.000 0.906 616 S HN 0.671 nan 8.310 nan 0.000 0.528 617 W N 2.343 123.668 121.300 0.042 0.000 2.364 617 W HA -0.089 4.571 4.660 -0.000 0.000 0.281 617 W C 2.707 179.254 176.519 0.046 0.000 1.219 617 W CA 0.892 58.288 57.345 0.085 0.000 1.220 617 W CB -0.252 29.287 29.460 0.132 0.000 1.127 617 W HN 0.634 nan 8.180 nan 0.000 0.556 618 S N -0.286 115.560 115.700 0.245 0.000 2.447 618 S HA 0.055 4.524 4.470 -0.001 0.000 0.233 618 S C 1.123 175.728 174.600 0.008 0.000 1.006 618 S CA 0.504 58.775 58.200 0.117 0.000 0.957 618 S CB -0.583 62.663 63.200 0.077 0.000 0.773 618 S HN 0.140 nan 8.310 nan 0.000 0.507 619 A N 1.366 124.159 122.820 -0.044 0.000 2.407 619 A HA 0.316 4.636 4.320 -0.001 0.000 0.248 619 A C 1.069 178.615 177.584 -0.063 0.000 1.082 619 A CA -0.293 51.616 52.037 -0.213 0.000 0.785 619 A CB 0.370 19.219 19.000 -0.252 0.000 1.020 619 A HN 0.090 nan 8.150 nan 0.000 0.489 620 K N 0.612 120.947 120.400 -0.108 0.000 2.305 620 K HA 0.052 4.372 4.320 -0.001 0.000 0.199 620 K C 0.747 177.432 176.600 0.142 0.000 1.047 620 K CA 1.267 57.568 56.287 0.024 0.000 0.976 620 K CB -0.296 32.201 32.500 -0.006 0.000 0.765 620 K HN 0.855 nan 8.250 nan 0.000 0.474 621 S N -1.190 114.659 115.700 0.248 0.000 2.671 621 S HA 0.479 4.949 4.470 -0.001 0.000 0.277 621 S C -0.284 174.591 174.600 0.458 0.000 1.165 621 S CA -0.872 57.546 58.200 0.363 0.000 0.822 621 S CB 1.639 65.083 63.200 0.406 0.000 1.150 621 S HN -0.038 nan 8.310 nan 0.000 0.479 622 S N 0.857 116.810 115.700 0.422 0.000 2.584 622 S HA 0.324 4.793 4.470 -0.001 0.000 0.270 622 S C 0.261 175.083 174.600 0.370 0.000 1.346 622 S CA -0.602 57.767 58.200 0.281 0.000 1.018 622 S CB 0.076 63.255 63.200 -0.036 0.000 0.899 622 S HN 0.686 nan 8.310 nan 0.000 0.542 623 R N 0.845 121.447 120.500 0.170 0.000 2.267 623 R HA 0.156 4.496 4.340 -0.001 0.000 0.319 623 R C -1.761 174.648 176.300 0.181 0.000 1.067 623 R CA -0.177 55.957 56.100 0.056 0.000 0.936 623 R CB 0.297 30.456 30.300 -0.234 0.000 1.006 623 R HN 0.562 nan 8.270 nan 0.000 0.452 624 W N 4.590 125.963 121.300 0.121 0.000 2.475 624 W HA 0.264 4.923 4.660 -0.001 0.000 0.317 624 W C -0.597 175.987 176.519 0.107 0.000 1.046 624 W CA -0.365 57.085 57.345 0.175 0.000 1.215 624 W CB 1.519 31.105 29.460 0.211 0.000 1.335 624 W HN 0.648 nan 8.180 nan 0.000 0.471 625 D N -0.095 120.494 120.400 0.315 0.000 2.596 625 D HA 0.636 5.275 4.640 -0.001 0.000 0.262 625 D C -1.790 174.600 176.300 0.150 0.000 1.210 625 D CA -0.835 53.268 54.000 0.171 0.000 0.873 625 D CB 1.367 42.203 40.800 0.061 0.000 1.408 625 D HN 0.027 nan 8.370 nan 0.000 0.441 626 V N 0.284 120.238 119.914 0.066 0.000 2.459 626 V HA 0.632 4.752 4.120 -0.001 0.000 0.295 626 V C 0.018 176.081 176.094 -0.051 0.000 1.029 626 V CA -0.612 61.700 62.300 0.020 0.000 0.874 626 V CB 1.036 32.851 31.823 -0.013 0.000 0.985 626 V HN 0.758 nan 8.190 nan 0.000 0.438 630 W N 2.118 123.435 121.300 0.028 0.000 3.022 630 W HA 0.327 4.986 4.660 -0.001 0.000 0.335 630 W C -0.737 175.788 176.519 0.010 0.000 1.133 630 W CA -0.624 56.731 57.345 0.017 0.000 1.219 630 W CB 1.744 31.198 29.460 -0.009 0.000 1.409 630 W HN 0.461 nan 8.180 nan 0.000 0.507 631 D N 2.037 122.572 120.400 0.224 0.000 2.255 631 D HA 0.370 5.009 4.640 -0.001 0.000 0.249 631 D C -0.044 176.321 176.300 0.109 0.000 1.078 631 D CA 0.123 54.196 54.000 0.121 0.000 0.896 631 D CB 2.516 43.359 40.800 0.071 0.000 1.194 631 D HN 0.140 nan 8.370 nan 0.000 0.429 632 V N -1.146 118.795 119.914 0.045 0.000 2.962 632 V HA 0.699 4.819 4.120 -0.001 0.000 0.313 632 V C -0.669 175.418 176.094 -0.011 0.000 1.099 632 V CA -1.092 61.214 62.300 0.010 0.000 0.971 632 V CB 2.216 34.033 31.823 -0.010 0.000 1.028 632 V HN 0.588 nan 8.190 nan 0.000 0.430 633 K N 0.924 121.316 120.400 -0.013 0.000 2.375 633 K HA 0.752 5.072 4.320 -0.001 0.000 0.249 633 K C -0.470 176.118 176.600 -0.020 0.000 0.942 633 K CA -0.367 55.912 56.287 -0.013 0.000 0.806 633 K CB 2.150 34.652 32.500 0.003 0.000 1.227 633 K HN 0.797 nan 8.250 nan 0.000 0.430 634 S N 1.122 116.812 115.700 -0.017 0.000 2.548 634 S HA 0.110 4.579 4.470 -0.001 0.000 0.277 634 S C 0.288 174.880 174.600 -0.013 0.000 1.315 634 S CA -0.729 57.461 58.200 -0.016 0.000 1.050 634 S CB 0.218 63.411 63.200 -0.012 0.000 0.918 634 S HN 0.697 nan 8.310 nan 0.000 0.497 635 C N 3.978 123.267 119.300 -0.018 0.000 2.693 635 C HA 0.385 4.844 4.460 -0.001 0.000 0.286 635 C C 0.197 175.179 174.990 -0.014 0.000 1.277 635 C CA -0.134 58.876 59.018 -0.014 0.000 1.705 635 C CB -2.153 25.576 27.740 -0.018 0.000 1.879 635 C HN 1.007 nan 8.230 nan 0.000 0.607 636 D N 0.000 120.393 120.400 -0.012 0.000 6.856 636 D HA 0.000 4.640 4.640 -0.001 0.000 0.175 636 D CA 0.000 53.994 54.000 -0.010 0.000 0.868 636 D CB 0.000 40.795 40.800 -0.009 0.000 0.688 636 D HN 0.000 nan 8.370 nan 0.000 0.683