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 1ziv_1_A DATA FIRST_RESID 28 DATA SEQUENCE SFEQMRQECL QRGTLFEDAD FPASNSSLFY SXXPQIPFVW KRPGEIVKNP DATA SEQUENCE EFILGGATRT DICQGELGDC WLLAAIASLT LNQKALARVI PQDQSFGPGY DATA SEQUENCE AGIFHFQFWQ HSEWLDVVID DRLPTFRDRL VFLHSADHNE FWSALLEKAY DATA SEQUENCE AKLNGSYEAL KGGSAIEAME DFTGGVAETF QTKEAPENFY EILEKALKRG DATA SEQUENCE SLLGCFIDTR SAAESEARTP FGLIKGHAYS VTGIDQVSFR GQRIELIRIR DATA SEQUENCE NPWGQVEWNG SWSDSSPEWR SVGPAEQKRL CHTALDDGEF WMAFKDFKAH DATA SEQUENCE FDKVEICNLT 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 28 S HA 0.000 nan 4.470 nan 0.000 0.327 28 S C 0.000 174.538 174.600 -0.103 0.000 1.055 28 S CA 0.000 58.169 58.200 -0.051 0.000 1.107 28 S CB 0.000 63.161 63.200 -0.066 0.000 0.593 29 F N 3.204 122.996 119.950 -0.264 0.000 2.187 29 F HA 0.222 4.749 4.527 -0.001 0.000 0.295 29 F C 1.693 177.257 175.800 -0.393 0.000 1.091 29 F CA 1.912 59.669 58.000 -0.405 0.000 1.308 29 F CB -0.153 38.450 39.000 -0.662 0.000 1.030 29 F HN 0.726 nan 8.300 nan 0.000 0.487 30 E N 0.357 120.274 120.200 -0.472 0.000 2.150 30 E HA -0.197 4.153 4.350 -0.001 0.000 0.193 30 E C 2.164 178.498 176.600 -0.444 0.000 0.985 30 E CA 1.478 57.572 56.400 -0.511 0.000 0.814 30 E CB -0.285 29.289 29.700 -0.210 0.000 0.752 30 E HN 0.592 nan 8.360 nan 0.000 0.466 31 Q N -0.420 119.185 119.800 -0.325 0.000 2.083 31 Q HA -0.035 4.305 4.340 -0.001 0.000 0.198 31 Q C 2.128 177.954 176.000 -0.290 0.000 0.969 31 Q CA 1.151 56.806 55.803 -0.248 0.000 0.838 31 Q CB -0.039 28.602 28.738 -0.160 0.000 0.900 31 Q HN 0.348 nan 8.270 nan 0.000 0.436 32 M N -0.124 119.251 119.600 -0.376 0.000 2.132 32 M HA -0.143 4.337 4.480 -0.001 0.000 0.263 32 M C 2.286 178.303 176.300 -0.472 0.000 1.065 32 M CA 1.327 56.389 55.300 -0.397 0.000 1.122 32 M CB -0.262 32.029 32.600 -0.514 0.000 1.365 32 M HN 0.072 nan 8.290 nan 0.000 0.411 33 R N 0.495 120.586 120.500 -0.682 0.000 2.083 33 R HA -0.234 4.105 4.340 -0.001 0.000 0.237 33 R C 2.267 178.326 176.300 -0.403 0.000 1.137 33 R CA 1.978 57.690 56.100 -0.646 0.000 0.951 33 R CB -0.213 29.518 30.300 -0.947 0.000 0.851 33 R HN 0.219 nan 8.270 nan 0.000 0.434 34 Q N 0.838 120.425 119.800 -0.355 0.000 2.050 34 Q HA -0.221 4.119 4.340 -0.001 0.000 0.202 34 Q C 1.811 177.706 176.000 -0.175 0.000 0.980 34 Q CA 2.358 58.022 55.803 -0.233 0.000 0.840 34 Q CB -0.188 28.429 28.738 -0.202 0.000 0.898 34 Q HN 0.529 nan 8.270 nan 0.000 0.424 35 E N -0.992 119.106 120.200 -0.170 0.000 2.021 35 E HA -0.250 4.100 4.350 -0.001 0.000 0.200 35 E C 1.984 178.526 176.600 -0.097 0.000 1.015 35 E CA 1.922 58.254 56.400 -0.114 0.000 0.824 35 E CB -0.413 29.230 29.700 -0.096 0.000 0.762 35 E HN 0.513 nan 8.360 nan 0.000 0.454 36 C N 0.278 119.512 119.300 -0.110 0.000 2.401 36 C HA -0.170 4.290 4.460 -0.001 0.000 0.276 36 C C 2.666 177.599 174.990 -0.095 0.000 1.233 36 C CA 0.749 59.717 59.018 -0.082 0.000 1.753 36 C CB -1.102 26.584 27.740 -0.090 0.000 2.029 36 C HN 0.549 nan 8.230 nan 0.000 0.478 37 L N 1.369 122.513 121.223 -0.131 0.000 2.056 37 L HA -0.173 4.167 4.340 -0.001 0.000 0.207 37 L C 2.840 179.665 176.870 -0.076 0.000 1.078 37 L CA 2.205 56.978 54.840 -0.111 0.000 0.749 37 L CB -0.918 41.059 42.059 -0.137 0.000 0.901 37 L HN 0.559 nan 8.230 nan 0.000 0.433 38 Q N -1.227 118.527 119.800 -0.077 0.000 2.297 38 Q HA -0.169 4.170 4.340 -0.001 0.000 0.204 38 Q C 1.768 177.743 176.000 -0.042 0.000 0.962 38 Q CA 1.165 56.934 55.803 -0.057 0.000 0.879 38 Q CB -0.219 28.484 28.738 -0.059 0.000 0.947 38 Q HN 0.411 nan 8.270 nan 0.000 0.462 39 R N -0.108 120.366 120.500 -0.043 0.000 2.334 39 R HA 0.161 4.501 4.340 -0.001 0.000 0.216 39 R C 0.756 177.042 176.300 -0.022 0.000 0.905 39 R CA 0.505 56.588 56.100 -0.029 0.000 1.064 39 R CB 0.475 30.760 30.300 -0.025 0.000 1.046 39 R HN 0.503 nan 8.270 nan 0.000 0.508 40 G N 1.530 110.314 108.800 -0.026 0.000 2.203 40 G HA2 -0.328 3.631 3.960 -0.001 0.000 0.263 40 G HA3 -0.328 3.631 3.960 -0.001 0.000 0.263 40 G C 0.192 175.086 174.900 -0.009 0.000 1.012 40 G CA 0.934 46.025 45.100 -0.015 0.000 0.749 40 G HN 0.444 nan 8.290 nan 0.000 0.512 41 T N -2.242 112.301 114.554 -0.018 0.000 2.942 41 T HA 0.763 5.113 4.350 -0.001 0.000 0.289 41 T C 0.048 174.736 174.700 -0.020 0.000 1.044 41 T CA -1.123 60.972 62.100 -0.008 0.000 1.023 41 T CB 2.354 71.221 68.868 -0.002 0.000 1.123 41 T HN 0.466 nan 8.240 nan 0.000 0.512 42 L N 1.991 123.212 121.223 -0.003 0.000 2.289 42 L HA 0.485 4.825 4.340 -0.001 0.000 0.285 42 L C 0.042 176.941 176.870 0.048 0.000 1.049 42 L CA -1.137 53.700 54.840 -0.005 0.000 0.804 42 L CB 0.834 42.912 42.059 0.031 0.000 1.195 42 L HN 0.667 nan 8.230 nan 0.000 0.428 43 F N 3.356 123.251 119.950 -0.091 0.000 2.572 43 F HA 0.075 4.602 4.527 -0.001 0.000 0.370 43 F C 0.221 176.025 175.800 0.006 0.000 1.103 43 F CA -0.024 57.946 58.000 -0.051 0.000 1.286 43 F CB 0.358 39.316 39.000 -0.069 0.000 1.105 43 F HN 0.436 nan 8.300 nan 0.000 0.583 44 E N 4.173 123.861 120.200 -0.852 0.000 2.216 44 E HA 0.094 4.444 4.350 -0.001 0.000 0.260 44 E C -1.578 174.408 176.600 -1.023 0.000 0.880 44 E CA -0.876 55.103 56.400 -0.702 0.000 0.765 44 E CB 1.371 30.877 29.700 -0.324 0.000 1.174 44 E HN 0.420 nan 8.360 nan 0.000 0.417 45 D N 2.493 122.432 120.400 -0.768 0.000 2.352 45 D HA 0.177 4.816 4.640 -0.001 0.000 0.245 45 D C 0.623 176.822 176.300 -0.168 0.000 1.224 45 D CA -0.118 53.631 54.000 -0.418 0.000 0.879 45 D CB 1.157 41.967 40.800 0.017 0.000 1.057 45 D HN 0.543 nan 8.370 nan 0.000 0.491 46 A N 3.692 126.442 122.820 -0.116 0.000 2.066 46 A HA -0.113 4.207 4.320 -0.001 0.000 0.218 46 A C 1.673 179.263 177.584 0.010 0.000 1.157 46 A CA 0.991 52.993 52.037 -0.059 0.000 0.670 46 A CB -0.031 18.948 19.000 -0.035 0.000 0.804 46 A HN 0.537 nan 8.150 nan 0.000 0.453 47 D N -2.394 118.054 120.400 0.080 0.000 2.234 47 D HA 0.076 4.716 4.640 -0.001 0.000 0.205 47 D C -0.148 176.291 176.300 0.232 0.000 0.962 47 D CA 1.005 55.087 54.000 0.137 0.000 0.855 47 D CB 0.113 41.007 40.800 0.158 0.000 0.951 47 D HN 0.334 nan 8.370 nan 0.000 0.500 48 F N 0.969 120.924 119.950 0.008 0.000 2.971 48 F HA 0.307 4.833 4.527 -0.001 0.000 0.373 48 F C -2.648 173.110 175.800 -0.071 0.000 1.288 48 F CA -2.432 55.572 58.000 0.006 0.000 1.204 48 F CB 1.120 40.166 39.000 0.077 0.000 1.852 48 F HN -0.227 nan 8.300 nan 0.000 0.624 49 P HA 0.307 nan 4.420 nan 0.000 0.278 49 P C -0.664 176.199 177.300 -0.729 0.000 1.258 49 P CA -0.513 62.352 63.100 -0.390 0.000 0.811 49 P CB 1.366 32.889 31.700 -0.295 0.000 1.063 50 A N 1.274 123.555 122.820 -0.898 0.000 2.981 50 A HA 0.437 4.756 4.320 -0.001 0.000 0.280 50 A C 0.566 177.321 177.584 -1.381 0.000 1.797 50 A CA 0.272 51.219 52.037 -1.817 0.000 1.456 50 A CB -1.704 16.502 19.000 -1.323 0.000 1.057 50 A HN 0.612 nan 8.150 nan 0.000 0.602 51 S N -0.029 115.123 115.700 -0.914 0.000 2.656 51 S HA 0.384 4.853 4.470 -0.001 0.000 0.273 51 S C 0.434 174.948 174.600 -0.144 0.000 1.168 51 S CA -0.720 57.286 58.200 -0.323 0.000 0.817 51 S CB 0.561 63.605 63.200 -0.260 0.000 1.146 51 S HN 0.235 nan 8.310 nan 0.000 0.475 52 N N 1.750 120.411 118.700 -0.066 0.000 2.205 52 N HA -0.097 4.642 4.740 -0.001 0.000 0.186 52 N C 1.956 177.122 175.510 -0.574 0.000 1.015 52 N CA 1.795 54.656 53.050 -0.316 0.000 0.862 52 N CB -0.600 37.789 38.487 -0.163 0.000 0.986 52 N HN 0.779 nan 8.380 nan 0.000 0.429 53 S N -1.052 114.468 115.700 -0.301 0.000 2.419 53 S HA 0.009 4.479 4.470 -0.001 0.000 0.233 53 S C 1.924 176.406 174.600 -0.196 0.000 1.016 53 S CA 0.968 59.046 58.200 -0.204 0.000 0.974 53 S CB -0.359 62.783 63.200 -0.098 0.000 0.786 53 S HN 0.094 nan 8.310 nan 0.000 0.492 54 S N 1.047 116.555 115.700 -0.319 0.000 2.489 54 S HA 0.305 4.774 4.470 -0.001 0.000 0.228 54 S C 1.494 176.033 174.600 -0.102 0.000 0.995 54 S CA 0.564 58.503 58.200 -0.435 0.000 0.934 54 S CB -0.287 62.275 63.200 -1.064 0.000 0.771 54 S HN 0.482 nan 8.310 nan 0.000 0.522 55 L N -0.534 120.562 121.223 -0.212 0.000 2.349 55 L HA 0.343 4.683 4.340 -0.001 0.000 0.200 55 L C -0.002 176.851 176.870 -0.027 0.000 1.064 55 L CA 0.280 55.028 54.840 -0.153 0.000 0.821 55 L CB 0.127 42.017 42.059 -0.281 0.000 1.027 55 L HN 0.306 nan 8.230 nan 0.000 0.476 56 F N -2.604 117.366 119.950 0.032 0.000 2.626 56 F HA 0.416 4.943 4.527 -0.000 0.000 0.311 56 F C -0.417 175.380 175.800 -0.006 0.000 1.088 56 F CA -1.487 56.459 58.000 -0.089 0.000 0.949 56 F CB 0.713 39.661 39.000 -0.087 0.000 1.322 56 F HN 0.039 nan 8.300 nan 0.000 0.461 57 Y N -0.319 120.189 120.300 0.347 0.000 2.720 57 Y HA 0.573 5.123 4.550 -0.001 0.000 0.268 57 Y C 0.458 176.509 175.900 0.252 0.000 1.142 57 Y CA -1.268 56.980 58.100 0.247 0.000 1.193 57 Y CB -1.192 37.362 38.460 0.157 0.000 1.176 57 Y HN 0.901 nan 8.280 nan 0.000 0.542 62 Q N 0.111 119.702 119.800 -0.349 0.000 2.443 62 Q HA 0.464 4.804 4.340 -0.001 0.000 0.232 62 Q C -0.968 175.023 176.000 -0.015 0.000 1.026 62 Q CA 0.126 55.938 55.803 0.015 0.000 0.924 62 Q CB 0.359 29.098 28.738 0.003 0.000 1.256 62 Q HN 0.215 nan 8.270 nan 0.000 0.519 63 I N 2.530 123.112 120.570 0.020 0.000 2.775 63 I HA 0.239 4.408 4.170 -0.001 0.000 0.295 63 I C -2.347 173.703 176.117 -0.112 0.000 1.287 63 I CA -2.403 58.861 61.300 -0.059 0.000 1.029 63 I CB 1.635 39.591 38.000 -0.074 0.000 1.282 63 I HN 0.521 nan 8.210 nan 0.000 0.426 64 P HA -0.015 nan 4.420 nan 0.000 0.242 64 P C -1.076 176.291 177.300 0.111 0.000 1.116 64 P CA 0.892 63.963 63.100 -0.047 0.000 0.954 64 P CB -0.743 31.035 31.700 0.129 0.000 0.908 65 F N 1.292 121.298 119.950 0.094 0.000 2.563 65 F HA 0.802 5.329 4.527 -0.001 0.000 0.316 65 F C -1.125 174.689 175.800 0.024 0.000 1.076 65 F CA -1.601 56.420 58.000 0.035 0.000 0.921 65 F CB 1.459 40.396 39.000 -0.105 0.000 1.209 65 F HN -0.037 nan 8.300 nan 0.000 0.462 66 V N 2.617 122.723 119.914 0.319 0.000 2.709 66 V HA 0.400 4.520 4.120 -0.001 0.000 0.308 66 V C -1.611 174.603 176.094 0.200 0.000 1.062 66 V CA -0.959 61.518 62.300 0.295 0.000 0.901 66 V CB 1.910 33.845 31.823 0.187 0.000 1.003 66 V HN 0.816 nan 8.190 nan 0.000 0.425 67 W N 5.963 127.373 121.300 0.184 0.000 2.356 67 W HA 0.524 5.183 4.660 -0.000 0.000 0.311 67 W C 0.379 176.962 176.519 0.107 0.000 1.328 67 W CA -0.044 57.372 57.345 0.118 0.000 1.251 67 W CB 0.405 29.916 29.460 0.085 0.000 1.280 67 W HN 0.324 nan 8.180 nan 0.000 0.524 68 K N 3.103 123.680 120.400 0.295 0.000 2.469 68 K HA 0.475 4.794 4.320 -0.001 0.000 0.254 68 K C -0.112 176.620 176.600 0.219 0.000 0.939 68 K CA -1.262 55.157 56.287 0.219 0.000 0.812 68 K CB 2.433 35.021 32.500 0.145 0.000 1.301 68 K HN 0.301 nan 8.250 nan 0.000 0.433 69 R N 1.529 122.145 120.500 0.194 0.000 2.582 69 R HA 0.098 4.438 4.340 -0.001 0.000 0.271 69 R C -1.841 174.477 176.300 0.029 0.000 1.078 69 R CA -1.711 54.502 56.100 0.188 0.000 1.127 69 R CB 0.121 30.572 30.300 0.252 0.000 1.038 69 R HN 0.292 nan 8.270 nan 0.000 0.500 70 P HA -0.171 nan 4.420 nan 0.000 0.216 70 P C 1.147 178.177 177.300 -0.450 0.000 1.150 70 P CA 1.432 64.090 63.100 -0.736 0.000 0.843 70 P CB 0.090 30.824 31.700 -1.609 0.000 0.787 71 G N 0.243 108.881 108.800 -0.270 0.000 2.534 71 G HA2 -0.199 3.761 3.960 -0.001 0.000 0.217 71 G HA3 -0.199 3.761 3.960 -0.001 0.000 0.217 71 G C 1.157 176.025 174.900 -0.053 0.000 1.128 71 G CA 0.322 45.318 45.100 -0.174 0.000 0.784 71 G HN 0.442 nan 8.290 nan 0.000 0.542 72 E N 0.241 120.435 120.200 -0.009 0.000 2.479 72 E HA 0.145 4.494 4.350 -0.001 0.000 0.193 72 E C 1.897 178.517 176.600 0.034 0.000 1.049 72 E CA 0.088 56.505 56.400 0.029 0.000 0.870 72 E CB -0.114 29.622 29.700 0.061 0.000 0.944 72 E HN 0.667 nan 8.360 nan 0.000 0.492 73 I N -2.838 117.752 120.570 0.034 0.000 4.323 73 I HA 0.329 4.499 4.170 -0.001 0.000 0.328 73 I C 0.306 176.481 176.117 0.097 0.000 1.310 73 I CA -0.580 60.765 61.300 0.075 0.000 1.186 73 I CB 1.337 39.408 38.000 0.119 0.000 1.130 73 I HN -0.052 nan 8.210 nan 0.000 0.411 74 V N 1.081 121.046 119.914 0.085 0.000 3.114 74 V HA 0.444 4.564 4.120 -0.001 0.000 0.308 74 V C 0.154 176.262 176.094 0.024 0.000 1.168 74 V CA -0.575 61.785 62.300 0.100 0.000 1.015 74 V CB 2.454 34.391 31.823 0.190 0.000 1.050 74 V HN 0.017 nan 8.190 nan 0.000 0.433 75 K N 1.520 121.935 120.400 0.025 0.000 2.128 75 K HA 0.263 4.582 4.320 -0.001 0.000 0.202 75 K C 0.401 176.986 176.600 -0.026 0.000 1.050 75 K CA 0.875 57.162 56.287 0.001 0.000 0.966 75 K CB -0.051 32.459 32.500 0.016 0.000 0.759 75 K HN 0.568 nan 8.250 nan 0.000 0.454 76 N N 2.279 120.966 118.700 -0.022 0.000 2.976 76 N HA 0.189 4.929 4.740 -0.001 0.000 0.255 76 N C -2.683 172.786 175.510 -0.068 0.000 1.312 76 N CA -1.142 51.885 53.050 -0.038 0.000 0.897 76 N CB 1.492 39.977 38.487 -0.004 0.000 1.184 76 N HN 0.043 nan 8.380 nan 0.000 0.497 77 P HA 0.093 nan 4.420 nan 0.000 0.271 77 P C -0.339 176.814 177.300 -0.245 0.000 1.220 77 P CA 0.258 63.135 63.100 -0.373 0.000 0.768 77 P CB 1.329 32.334 31.700 -1.159 0.000 0.848 78 E N 2.248 122.515 120.200 0.113 0.000 2.195 78 E HA 0.172 4.522 4.350 -0.001 0.000 0.271 78 E C 0.196 177.226 176.600 0.715 0.000 0.923 78 E CA -0.713 55.920 56.400 0.388 0.000 0.790 78 E CB 1.503 31.349 29.700 0.244 0.000 1.155 78 E HN 0.322 nan 8.360 nan 0.000 0.402 79 F N 2.221 122.581 119.950 0.684 0.000 2.037 79 F HA 0.138 4.665 4.527 -0.001 0.000 0.291 79 F C 0.764 176.849 175.800 0.474 0.000 1.137 79 F CA 0.979 59.338 58.000 0.599 0.000 1.178 79 F CB 0.341 39.564 39.000 0.372 0.000 0.995 79 F HN 0.345 nan 8.300 nan 0.000 0.472 80 I N 1.916 122.672 120.570 0.309 0.000 2.362 80 I HA 0.255 4.424 4.170 -0.001 0.000 0.289 80 I C -1.438 174.768 176.117 0.148 0.000 0.994 80 I CA -0.923 60.445 61.300 0.114 0.000 1.158 80 I CB 1.765 39.721 38.000 -0.074 0.000 1.315 80 I HN -0.047 nan 8.210 nan 0.000 0.451 81 L N 6.280 127.585 121.223 0.138 0.000 2.343 81 L HA 0.589 4.929 4.340 -0.001 0.000 0.278 81 L C 0.628 177.535 176.870 0.061 0.000 0.996 81 L CA -0.259 54.639 54.840 0.096 0.000 0.831 81 L CB 1.166 43.276 42.059 0.084 0.000 1.232 81 L HN 0.790 nan 8.230 nan 0.000 0.413 82 G N 3.535 112.358 108.800 0.038 0.000 2.356 82 G HA2 0.159 4.119 3.960 -0.001 0.000 0.296 82 G HA3 0.159 4.119 3.960 -0.001 0.000 0.296 82 G C 0.755 175.661 174.900 0.009 0.000 1.022 82 G CA 0.829 45.941 45.100 0.021 0.000 0.961 82 G HN 1.918 nan 8.290 nan 0.000 0.510 83 G N -1.645 107.146 108.800 -0.015 0.000 2.733 83 G HA2 0.434 4.393 3.960 -0.001 0.000 0.686 83 G HA3 0.434 4.393 3.960 -0.001 0.000 0.686 83 G C 0.151 175.002 174.900 -0.081 0.000 1.373 83 G CA 0.533 45.596 45.100 -0.062 0.000 0.838 83 G HN 2.245 nan 8.290 nan 0.000 0.588 84 A N 1.352 124.023 122.820 -0.249 0.000 2.478 84 A HA 0.891 5.211 4.320 -0.001 0.000 0.327 84 A C 0.832 178.338 177.584 -0.131 0.000 1.431 84 A CA 1.129 52.899 52.037 -0.445 0.000 1.014 84 A CB 0.050 18.352 19.000 -1.163 0.000 1.143 84 A HN 2.391 nan 8.150 nan 0.000 0.532 85 T N -1.277 113.369 114.554 0.154 0.000 2.716 85 T HA 0.449 4.798 4.350 -0.001 0.000 0.286 85 T C 0.909 175.708 174.700 0.164 0.000 1.052 85 T CA -0.695 61.470 62.100 0.108 0.000 1.024 85 T CB 0.949 69.845 68.868 0.047 0.000 1.349 85 T HN 0.398 nan 8.240 nan 0.000 0.525 86 R N 0.120 120.671 120.500 0.087 0.000 2.152 86 R HA -0.026 4.314 4.340 -0.001 0.000 0.232 86 R C 2.302 178.624 176.300 0.037 0.000 1.117 86 R CA 1.802 57.940 56.100 0.062 0.000 0.981 86 R CB -0.694 29.628 30.300 0.036 0.000 0.870 86 R HN 0.897 nan 8.270 nan 0.000 0.451 87 T N -1.412 113.165 114.554 0.039 0.000 3.098 87 T HA -0.047 4.303 4.350 -0.001 0.000 0.266 87 T C 0.709 175.404 174.700 -0.008 0.000 1.145 87 T CA 0.847 62.956 62.100 0.015 0.000 1.092 87 T CB -0.001 68.879 68.868 0.019 0.000 0.908 87 T HN 0.066 nan 8.240 nan 0.000 0.526 88 D N 0.955 121.361 120.400 0.009 0.000 2.340 88 D HA 0.263 4.902 4.640 -0.001 0.000 0.217 88 D C 0.144 176.280 176.300 -0.273 0.000 1.081 88 D CA 0.030 53.973 54.000 -0.094 0.000 0.842 88 D CB 0.188 41.013 40.800 0.042 0.000 0.934 88 D HN 0.513 nan 8.370 nan 0.000 0.511 89 I N 1.374 121.831 120.570 -0.189 0.000 2.555 89 I HA 0.217 4.386 4.170 -0.001 0.000 0.275 89 I C -0.737 175.249 176.117 -0.218 0.000 1.082 89 I CA -0.392 60.772 61.300 -0.227 0.000 1.167 89 I CB 1.103 39.033 38.000 -0.117 0.000 1.312 89 I HN -0.195 nan 8.210 nan 0.000 0.493 90 C N 4.587 123.670 119.300 -0.362 0.000 2.319 90 C HA 0.342 4.802 4.460 -0.001 0.000 0.323 90 C C 0.396 175.081 174.990 -0.507 0.000 1.277 90 C CA -0.890 57.877 59.018 -0.418 0.000 1.517 90 C CB 1.053 28.485 27.740 -0.514 0.000 2.206 90 C HN 0.723 nan 8.230 nan 0.000 0.486 91 Q N 2.555 122.222 119.800 -0.221 0.000 2.349 91 Q HA 0.450 4.790 4.340 -0.001 0.000 0.287 91 Q C 0.350 176.337 176.000 -0.022 0.000 1.044 91 Q CA 0.302 56.048 55.803 -0.096 0.000 0.918 91 Q CB 0.704 29.437 28.738 -0.009 0.000 1.242 91 Q HN 0.829 nan 8.270 nan 0.000 0.405 92 G N 1.444 110.294 108.800 0.084 0.000 2.990 92 G HA2 0.145 4.105 3.960 -0.001 0.000 0.208 92 G HA3 0.145 4.105 3.960 -0.001 0.000 0.208 92 G C -0.012 174.966 174.900 0.130 0.000 1.334 92 G CA -0.556 44.643 45.100 0.166 0.000 1.024 92 G HN 0.656 nan 8.290 nan 0.000 0.574 93 E N -0.537 119.696 120.200 0.054 0.000 2.511 93 E HA 0.019 4.368 4.350 -0.001 0.000 0.196 93 E C 2.041 178.774 176.600 0.223 0.000 1.066 93 E CA -0.061 56.364 56.400 0.041 0.000 0.871 93 E CB 0.234 29.837 29.700 -0.163 0.000 0.863 93 E HN 0.220 nan 8.360 nan 0.000 0.520 94 L N -0.792 120.651 121.223 0.366 0.000 2.375 94 L HA 0.187 4.527 4.340 -0.001 0.000 0.215 94 L C 1.001 177.977 176.870 0.176 0.000 1.108 94 L CA 1.106 56.124 54.840 0.297 0.000 0.830 94 L CB 0.110 42.335 42.059 0.276 0.000 0.959 94 L HN 0.172 nan 8.230 nan 0.000 0.457 95 G N -1.149 107.743 108.800 0.154 0.000 2.354 95 G HA2 -0.136 3.824 3.960 -0.001 0.000 0.582 95 G HA3 -0.136 3.824 3.960 -0.001 0.000 0.582 95 G C -1.176 173.781 174.900 0.095 0.000 1.316 95 G CA -0.293 44.881 45.100 0.123 0.000 0.995 95 G HN -0.062 nan 8.290 nan 0.000 0.573 96 D N 0.245 120.699 120.400 0.091 0.000 2.688 96 D HA 0.389 5.028 4.640 -0.001 0.000 0.228 96 D C 1.172 177.532 176.300 0.100 0.000 1.116 96 D CA -0.136 53.910 54.000 0.077 0.000 1.023 96 D CB -1.048 39.792 40.800 0.067 0.000 1.100 96 D HN 0.634 nan 8.370 nan 0.000 0.487 97 C N 1.391 120.745 119.300 0.090 0.000 2.703 97 C HA -0.058 4.402 4.460 -0.001 0.000 0.411 97 C C 1.702 176.802 174.990 0.183 0.000 1.290 97 C CA -0.778 58.299 59.018 0.100 0.000 2.054 97 C CB -0.278 27.484 27.740 0.038 0.000 2.732 97 C HN 0.666 nan 8.230 nan 0.000 0.650 98 W N 1.767 123.053 121.300 -0.023 0.000 2.374 98 W HA -0.080 4.580 4.660 -0.000 0.000 0.288 98 W C 2.008 178.517 176.519 -0.017 0.000 1.218 98 W CA 1.221 58.555 57.345 -0.018 0.000 1.245 98 W CB -0.756 28.689 29.460 -0.025 0.000 1.126 98 W HN 0.703 nan 8.180 nan 0.000 0.545 99 L N 0.802 122.043 121.223 0.029 0.000 2.137 99 L HA -0.250 4.089 4.340 -0.001 0.000 0.213 99 L C 2.243 179.105 176.870 -0.012 0.000 1.085 99 L CA 2.021 56.821 54.840 -0.066 0.000 0.760 99 L CB -0.993 41.058 42.059 -0.013 0.000 0.893 99 L HN 0.045 nan 8.230 nan 0.000 0.434 100 L N -0.681 120.564 121.223 0.037 0.000 2.131 100 L HA -0.198 4.141 4.340 -0.001 0.000 0.210 100 L C 2.703 179.602 176.870 0.049 0.000 1.092 100 L CA 1.167 56.029 54.840 0.038 0.000 0.759 100 L CB -1.086 40.995 42.059 0.036 0.000 0.903 100 L HN 0.464 nan 8.230 nan 0.000 0.435 101 A N 0.182 123.042 122.820 0.068 0.000 1.933 101 A HA -0.163 4.156 4.320 -0.001 0.000 0.218 101 A C 2.548 180.144 177.584 0.020 0.000 1.175 101 A CA 1.735 53.814 52.037 0.070 0.000 0.628 101 A CB -0.513 18.584 19.000 0.161 0.000 0.814 101 A HN 0.415 nan 8.150 nan 0.000 0.444 102 A N 0.002 122.803 122.820 -0.032 0.000 1.873 102 A HA -0.043 4.276 4.320 -0.001 0.000 0.215 102 A C 2.091 179.801 177.584 0.211 0.000 1.186 102 A CA 1.452 53.513 52.037 0.039 0.000 0.616 102 A CB -0.605 18.346 19.000 -0.081 0.000 0.823 102 A HN 0.483 nan 8.150 nan 0.000 0.442 103 I N -0.006 120.690 120.570 0.210 0.000 2.226 103 I HA -0.290 3.880 4.170 -0.001 0.000 0.245 103 I C 2.954 179.118 176.117 0.078 0.000 1.100 103 I CA 1.006 62.363 61.300 0.096 0.000 1.374 103 I CB -0.372 37.653 38.000 0.041 0.000 1.057 103 I HN 0.351 nan 8.210 nan 0.000 0.413 104 A N 0.275 123.138 122.820 0.071 0.000 1.883 104 A HA -0.231 4.089 4.320 -0.001 0.000 0.217 104 A C 2.491 180.105 177.584 0.049 0.000 1.186 104 A CA 2.443 54.516 52.037 0.060 0.000 0.624 104 A CB -0.863 18.166 19.000 0.049 0.000 0.822 104 A HN 0.403 nan 8.150 nan 0.000 0.444 105 S N -0.669 115.062 115.700 0.052 0.000 2.423 105 S HA -0.089 4.381 4.470 -0.001 0.000 0.231 105 S C 1.768 176.391 174.600 0.039 0.000 1.014 105 S CA 1.163 59.388 58.200 0.042 0.000 0.965 105 S CB -0.356 62.868 63.200 0.041 0.000 0.785 105 S HN 0.443 nan 8.310 nan 0.000 0.495 106 L N 2.429 123.682 121.223 0.051 0.000 2.083 106 L HA -0.119 4.221 4.340 -0.001 0.000 0.209 106 L C 2.597 179.439 176.870 -0.047 0.000 1.083 106 L CA 2.149 56.989 54.840 0.001 0.000 0.752 106 L CB -1.350 40.658 42.059 -0.085 0.000 0.899 106 L HN 0.489 nan 8.230 nan 0.000 0.433 107 T N -3.393 111.142 114.554 -0.032 0.000 2.962 107 T HA -0.155 4.195 4.350 -0.001 0.000 0.270 107 T C 1.806 176.477 174.700 -0.047 0.000 1.088 107 T CA 1.339 63.404 62.100 -0.059 0.000 1.127 107 T CB -0.627 68.237 68.868 -0.007 0.000 0.883 107 T HN 0.407 nan 8.240 nan 0.000 0.493 108 L N 0.410 121.620 121.223 -0.022 0.000 2.492 108 L HA 0.269 4.609 4.340 -0.001 0.000 0.223 108 L C 1.179 178.034 176.870 -0.026 0.000 1.132 108 L CA 0.216 55.045 54.840 -0.019 0.000 0.850 108 L CB -0.333 41.724 42.059 -0.005 0.000 0.966 108 L HN 0.217 nan 8.230 nan 0.000 0.454 109 N N 0.269 118.949 118.700 -0.032 0.000 2.898 109 N HA 0.074 4.814 4.740 -0.001 0.000 0.245 109 N C 0.790 176.263 175.510 -0.062 0.000 1.185 109 N CA -0.123 52.906 53.050 -0.035 0.000 0.879 109 N CB 0.687 39.166 38.487 -0.014 0.000 1.157 109 N HN 0.013 nan 8.380 nan 0.000 0.503 110 Q N 0.939 120.694 119.800 -0.075 0.000 2.291 110 Q HA -0.060 4.280 4.340 -0.001 0.000 0.205 110 Q C 1.066 177.003 176.000 -0.106 0.000 0.970 110 Q CA 0.926 56.666 55.803 -0.105 0.000 0.876 110 Q CB 0.306 28.984 28.738 -0.100 0.000 0.935 110 Q HN 0.549 nan 8.270 nan 0.000 0.455 111 K N 0.370 120.720 120.400 -0.083 0.000 2.025 111 K HA -0.069 4.250 4.320 -0.001 0.000 0.207 111 K C 2.063 178.603 176.600 -0.099 0.000 1.049 111 K CA 1.127 57.362 56.287 -0.087 0.000 0.933 111 K CB -0.065 32.396 32.500 -0.066 0.000 0.714 111 K HN 0.127 nan 8.250 nan 0.000 0.438 112 A N 1.223 124.000 122.820 -0.071 0.000 1.902 112 A HA -0.165 4.155 4.320 -0.001 0.000 0.217 112 A C 2.088 179.617 177.584 -0.093 0.000 1.181 112 A CA 1.215 53.221 52.037 -0.052 0.000 0.623 112 A CB -0.614 18.396 19.000 0.017 0.000 0.818 112 A HN 0.348 nan 8.150 nan 0.000 0.443 113 L N -0.556 120.594 121.223 -0.120 0.000 2.079 113 L HA -0.164 4.175 4.340 -0.001 0.000 0.210 113 L C 2.690 179.442 176.870 -0.197 0.000 1.081 113 L CA 1.658 56.391 54.840 -0.179 0.000 0.752 113 L CB -0.269 41.654 42.059 -0.226 0.000 0.896 113 L HN 0.368 nan 8.230 nan 0.000 0.433 114 A N -0.199 122.509 122.820 -0.186 0.000 2.067 114 A HA -0.165 4.155 4.320 -0.001 0.000 0.219 114 A C 2.247 179.689 177.584 -0.236 0.000 1.158 114 A CA 1.395 53.317 52.037 -0.193 0.000 0.661 114 A CB -0.461 18.442 19.000 -0.162 0.000 0.801 114 A HN 0.552 nan 8.150 nan 0.000 0.452 115 R N -0.795 119.539 120.500 -0.277 0.000 2.075 115 R HA 0.009 4.348 4.340 -0.001 0.000 0.226 115 R C 1.892 177.953 176.300 -0.399 0.000 1.114 115 R CA 1.273 57.111 56.100 -0.437 0.000 0.972 115 R CB -0.644 29.247 30.300 -0.682 0.000 0.869 115 R HN 0.320 nan 8.270 nan 0.000 0.437 116 V N 1.963 121.734 119.914 -0.238 0.000 2.427 116 V HA -0.100 4.020 4.120 -0.001 0.000 0.248 116 V C 1.315 177.335 176.094 -0.123 0.000 1.051 116 V CA 1.288 63.516 62.300 -0.120 0.000 1.048 116 V CB -0.245 31.546 31.823 -0.052 0.000 0.666 116 V HN 0.224 nan 8.190 nan 0.000 0.456 117 I N 1.350 121.835 120.570 -0.143 0.000 2.460 117 I HA 0.315 4.484 4.170 -0.001 0.000 0.277 117 I C -2.673 173.288 176.117 -0.260 0.000 1.057 117 I CA -1.961 59.251 61.300 -0.148 0.000 1.179 117 I CB 1.302 39.308 38.000 0.010 0.000 1.329 117 I HN 0.072 nan 8.210 nan 0.000 0.478 118 P HA -0.001 nan 4.420 nan 0.000 0.265 118 P C 0.147 177.304 177.300 -0.238 0.000 1.193 118 P CA -0.067 62.809 63.100 -0.372 0.000 0.765 118 P CB 0.543 31.892 31.700 -0.585 0.000 0.823 119 Q N 1.669 121.385 119.800 -0.141 0.000 2.403 119 Q HA -0.033 4.307 4.340 -0.001 0.000 0.203 119 Q C 0.411 176.377 176.000 -0.057 0.000 0.932 119 Q CA 0.589 56.354 55.803 -0.063 0.000 0.945 119 Q CB -0.259 28.449 28.738 -0.051 0.000 1.045 119 Q HN 0.585 nan 8.270 nan 0.000 0.511 120 D N 0.455 120.809 120.400 -0.078 0.000 2.355 120 D HA -0.105 4.534 4.640 -0.001 0.000 0.253 120 D C 0.114 176.377 176.300 -0.061 0.000 1.187 120 D CA 0.187 54.164 54.000 -0.039 0.000 0.900 120 D CB -0.229 40.577 40.800 0.010 0.000 0.915 120 D HN 0.287 nan 8.370 nan 0.000 0.516 121 Q N -1.263 118.458 119.800 -0.131 0.000 2.379 121 Q HA 0.616 4.956 4.340 -0.001 0.000 0.278 121 Q C -0.993 174.852 176.000 -0.259 0.000 1.068 121 Q CA -1.087 54.560 55.803 -0.260 0.000 0.816 121 Q CB 2.336 30.816 28.738 -0.430 0.000 1.387 121 Q HN 0.091 nan 8.270 nan 0.000 0.413 122 S N 0.291 115.860 115.700 -0.218 0.000 2.633 122 S HA 0.388 4.857 4.470 -0.001 0.000 0.271 122 S C -1.154 173.423 174.600 -0.039 0.000 1.112 122 S CA -0.823 57.371 58.200 -0.011 0.000 0.828 122 S CB 0.053 63.306 63.200 0.089 0.000 1.086 122 S HN 0.560 nan 8.310 nan 0.000 0.461 123 F N 1.588 121.655 119.950 0.195 0.000 2.773 123 F HA 0.396 4.923 4.527 -0.001 0.000 0.304 123 F C 1.801 177.579 175.800 -0.037 0.000 1.129 123 F CA 0.318 58.290 58.000 -0.047 0.000 1.378 123 F CB -0.130 38.773 39.000 -0.161 0.000 1.095 123 F HN 0.841 nan 8.300 nan 0.000 0.565 124 G N 0.121 109.030 108.800 0.183 0.000 2.508 124 G HA2 0.313 4.273 3.960 -0.001 0.000 0.278 124 G HA3 0.313 4.273 3.960 -0.001 0.000 0.278 124 G C -2.401 172.573 174.900 0.125 0.000 1.389 124 G CA -1.310 43.870 45.100 0.133 0.000 1.050 124 G HN -0.147 nan 8.290 nan 0.000 0.522 125 P HA 0.177 nan 4.420 nan 0.000 0.258 125 P C 0.762 178.091 177.300 0.047 0.000 1.172 125 P CA 1.836 64.975 63.100 0.067 0.000 0.762 125 P CB 0.634 32.359 31.700 0.042 0.000 0.764 126 G N 2.335 111.158 108.800 0.038 0.000 2.231 126 G HA2 -0.256 3.704 3.960 -0.001 0.000 0.206 126 G HA3 -0.256 3.704 3.960 -0.001 0.000 0.206 126 G C -0.089 174.786 174.900 -0.041 0.000 0.996 126 G CA -0.405 44.682 45.100 -0.022 0.000 0.645 126 G HN 0.565 nan 8.290 nan 0.000 0.498 127 Y N 1.494 121.738 120.300 -0.093 0.000 2.610 127 Y HA 0.393 4.943 4.550 -0.001 0.000 0.332 127 Y C 0.747 176.588 175.900 -0.099 0.000 1.201 127 Y CA 0.814 58.840 58.100 -0.123 0.000 1.465 127 Y CB 1.050 39.506 38.460 -0.007 0.000 1.283 127 Y HN 0.730 nan 8.280 nan 0.000 0.563 128 A N 4.228 126.520 122.820 -0.881 0.000 2.524 128 A HA 0.458 4.777 4.320 -0.001 0.000 0.267 128 A C 0.956 178.121 177.584 -0.699 0.000 0.881 128 A CA 0.054 51.670 52.037 -0.701 0.000 1.077 128 A CB -0.801 17.970 19.000 -0.383 0.000 1.220 128 A HN 1.853 nan 8.150 nan 0.000 0.488 129 G N 0.011 108.093 108.800 -1.196 0.000 2.198 129 G HA2 -0.217 3.743 3.960 -0.001 0.000 0.260 129 G HA3 -0.217 3.743 3.960 -0.001 0.000 0.260 129 G C 0.028 174.979 174.900 0.085 0.000 1.025 129 G CA 0.739 45.662 45.100 -0.294 0.000 0.769 129 G HN 1.314 nan 8.290 nan 0.000 0.507 130 I N -0.894 119.572 120.570 -0.174 0.000 2.569 130 I HA 0.806 4.975 4.170 -0.001 0.000 0.290 130 I C -0.735 175.265 176.117 -0.195 0.000 1.088 130 I CA -1.485 59.815 61.300 0.000 0.000 1.047 130 I CB 1.180 39.000 38.000 -0.300 0.000 1.237 130 I HN -0.056 nan 8.210 nan 0.000 0.421 131 F N 5.314 125.423 119.950 0.265 0.000 2.640 131 F HA 0.649 5.176 4.527 -0.001 0.000 0.324 131 F C -0.384 175.440 175.800 0.039 0.000 1.077 131 F CA -0.551 57.511 58.000 0.104 0.000 0.965 131 F CB 1.669 40.699 39.000 0.050 0.000 1.351 131 F HN 0.459 nan 8.300 nan 0.000 0.487 132 H N -0.682 118.116 119.070 -0.453 0.000 3.012 132 H HA 0.617 5.172 4.556 -0.001 0.000 0.367 132 H C -2.200 172.706 175.328 -0.704 0.000 1.211 132 H CA -1.631 54.149 56.048 -0.447 0.000 1.139 132 H CB 1.473 30.819 29.762 -0.694 0.000 1.838 132 H HN 0.484 nan 8.280 nan 0.000 0.550 133 F N 0.057 119.850 119.950 -0.262 0.000 2.603 133 F HA 0.445 4.972 4.527 -0.001 0.000 0.317 133 F C -0.183 175.283 175.800 -0.557 0.000 1.066 133 F CA -0.780 56.949 58.000 -0.452 0.000 0.941 133 F CB 2.528 41.286 39.000 -0.402 0.000 1.291 133 F HN 0.394 nan 8.300 nan 0.000 0.472 134 Q N 1.806 121.357 119.800 -0.415 0.000 2.331 134 Q HA 0.533 4.873 4.340 -0.001 0.000 0.267 134 Q C -1.837 174.148 176.000 -0.024 0.000 1.006 134 Q CA -0.677 55.031 55.803 -0.160 0.000 0.818 134 Q CB 2.576 31.322 28.738 0.012 0.000 1.276 134 Q HN 0.407 nan 8.270 nan 0.000 0.450 135 F N 1.209 121.471 119.950 0.519 0.000 2.493 135 F HA 0.299 4.826 4.527 -0.001 0.000 0.329 135 F C -0.259 175.619 175.800 0.131 0.000 1.126 135 F CA -1.036 57.209 58.000 0.409 0.000 0.937 135 F CB 1.131 40.318 39.000 0.311 0.000 1.146 135 F HN 0.518 nan 8.300 nan 0.000 0.442 136 W N 4.545 125.660 121.300 -0.308 0.000 2.251 136 W HA 0.099 4.759 4.660 -0.001 0.000 0.327 136 W C 0.060 176.364 176.519 -0.360 0.000 1.361 136 W CA 0.327 57.216 57.345 -0.760 0.000 1.234 136 W CB 1.320 30.142 29.460 -1.063 0.000 1.212 136 W HN 0.669 nan 8.180 nan 0.000 0.557 137 Q N 2.158 121.434 119.800 -0.874 0.000 2.606 137 Q HA 0.023 4.363 4.340 -0.001 0.000 0.215 137 Q C 1.242 176.657 176.000 -0.975 0.000 0.908 137 Q CA 1.443 56.832 55.803 -0.690 0.000 0.908 137 Q CB 0.225 28.714 28.738 -0.415 0.000 1.120 137 Q HN 0.605 nan 8.270 nan 0.000 0.628 138 H N -2.405 116.226 119.070 -0.733 0.000 3.049 138 H HA 0.349 4.904 4.556 -0.001 0.000 0.212 138 H C -0.044 175.045 175.328 -0.398 0.000 0.894 138 H CA 1.049 56.856 56.048 -0.401 0.000 0.968 138 H CB 0.831 30.474 29.762 -0.199 0.000 1.271 138 H HN 0.233 nan 8.280 nan 0.000 0.531 139 S N 0.122 115.479 115.700 -0.572 0.000 2.949 139 S HA 0.350 4.820 4.470 -0.001 0.000 0.246 139 S C -0.219 173.946 174.600 -0.726 0.000 0.899 139 S CA -0.512 57.429 58.200 -0.432 0.000 1.091 139 S CB 1.395 64.563 63.200 -0.052 0.000 1.199 139 S HN 0.330 nan 8.310 nan 0.000 0.507 140 E N 0.205 119.522 120.200 -1.473 0.000 2.422 140 E HA 0.264 4.614 4.350 -0.001 0.000 0.289 140 E C -1.918 174.168 176.600 -0.856 0.000 0.985 140 E CA -0.547 55.361 56.400 -0.820 0.000 0.812 140 E CB 1.012 30.487 29.700 -0.374 0.000 1.226 140 E HN 0.413 nan 8.360 nan 0.000 0.419 141 W N 4.563 125.776 121.300 -0.145 0.000 2.485 141 W HA 0.288 4.948 4.660 -0.001 0.000 0.315 141 W C -0.087 176.432 176.519 -0.001 0.000 1.304 141 W CA -0.360 57.023 57.345 0.063 0.000 1.345 141 W CB 0.417 29.981 29.460 0.173 0.000 1.368 141 W HN 0.275 nan 8.180 nan 0.000 0.497 142 L N 4.661 125.997 121.223 0.188 0.000 2.276 142 L HA 0.250 4.589 4.340 -0.001 0.000 0.286 142 L C -0.236 176.744 176.870 0.185 0.000 1.061 142 L CA -0.271 54.654 54.840 0.141 0.000 0.807 142 L CB 0.522 42.640 42.059 0.099 0.000 1.177 142 L HN 0.254 nan 8.230 nan 0.000 0.429 143 D N 3.422 123.908 120.400 0.143 0.000 2.317 143 D HA 0.311 4.950 4.640 -0.001 0.000 0.252 143 D C -0.947 175.440 176.300 0.146 0.000 1.174 143 D CA 0.130 54.205 54.000 0.125 0.000 0.866 143 D CB 0.826 41.700 40.800 0.122 0.000 1.127 143 D HN 0.306 nan 8.370 nan 0.000 0.467 144 V N 4.948 124.959 119.914 0.162 0.000 2.384 144 V HA 0.324 4.443 4.120 -0.001 0.000 0.287 144 V C 0.104 176.357 176.094 0.266 0.000 1.020 144 V CA -0.832 61.609 62.300 0.236 0.000 0.850 144 V CB 1.671 33.718 31.823 0.373 0.000 0.987 144 V HN 0.337 nan 8.190 nan 0.000 0.436 145 V N 6.927 126.997 119.914 0.260 0.000 2.532 145 V HA 0.636 4.756 4.120 -0.001 0.000 0.295 145 V C -0.128 176.204 176.094 0.396 0.000 1.041 145 V CA -0.288 62.189 62.300 0.296 0.000 0.926 145 V CB 1.780 33.731 31.823 0.213 0.000 0.992 145 V HN 0.828 nan 8.190 nan 0.000 0.457 146 I N 1.170 122.035 120.570 0.492 0.000 3.095 146 I HA 0.737 4.906 4.170 -0.001 0.000 0.310 146 I C -1.098 175.436 176.117 0.694 0.000 1.196 146 I CA -1.114 60.534 61.300 0.580 0.000 0.985 146 I CB 2.362 40.689 38.000 0.545 0.000 1.250 146 I HN 0.638 nan 8.210 nan 0.000 0.446 147 D N 0.646 121.413 120.400 0.611 0.000 2.294 147 D HA 0.229 4.869 4.640 -0.001 0.000 0.250 147 D C 0.000 176.619 176.300 0.531 0.000 1.058 147 D CA -0.500 53.830 54.000 0.550 0.000 0.950 147 D CB 1.136 42.083 40.800 0.243 0.000 1.158 147 D HN 0.690 nan 8.370 nan 0.000 0.453 148 D N 0.167 120.902 120.400 0.558 0.000 2.325 148 D HA -0.042 4.598 4.640 -0.001 0.000 0.234 148 D C -0.143 176.426 176.300 0.449 0.000 1.122 148 D CA -0.398 53.932 54.000 0.550 0.000 0.850 148 D CB -0.248 40.973 40.800 0.701 0.000 0.921 148 D HN 0.277 nan 8.370 nan 0.000 0.513 149 R N 0.318 121.072 120.500 0.424 0.000 2.449 149 R HA 0.421 4.761 4.340 -0.001 0.000 0.296 149 R C -0.202 176.485 176.300 0.645 0.000 1.047 149 R CA 0.035 56.418 56.100 0.471 0.000 1.018 149 R CB 0.724 31.264 30.300 0.399 0.000 0.962 149 R HN 0.155 nan 8.270 nan 0.000 0.428 150 L N 4.959 126.462 121.223 0.467 0.000 2.370 150 L HA 0.467 4.807 4.340 -0.001 0.000 0.266 150 L C -2.314 174.415 176.870 -0.235 0.000 1.002 150 L CA -2.740 52.222 54.840 0.204 0.000 0.818 150 L CB 2.438 44.648 42.059 0.251 0.000 1.325 150 L HN 0.337 nan 8.230 nan 0.000 0.418 151 P HA 0.154 nan 4.420 nan 0.000 0.268 151 P C -0.916 176.197 177.300 -0.311 0.000 1.204 151 P CA 0.065 62.652 63.100 -0.855 0.000 0.768 151 P CB 0.789 31.893 31.700 -0.993 0.000 0.842 152 T N 2.712 117.172 114.554 -0.156 0.000 2.933 152 T HA 0.388 4.738 4.350 -0.001 0.000 0.305 152 T C -0.408 174.366 174.700 0.124 0.000 1.092 152 T CA -0.027 62.075 62.100 0.003 0.000 1.008 152 T CB 1.009 69.901 68.868 0.040 0.000 1.102 152 T HN 0.167 nan 8.240 nan 0.000 0.469 153 F N 2.306 122.220 119.950 -0.061 0.000 2.468 153 F HA 0.475 5.001 4.527 -0.001 0.000 0.250 153 F C 0.980 176.760 175.800 -0.033 0.000 0.990 153 F CA 0.207 58.179 58.000 -0.047 0.000 1.043 153 F CB 0.476 39.430 39.000 -0.078 0.000 1.184 153 F HN 0.247 nan 8.300 nan 0.000 0.690 154 R N 2.193 122.480 120.500 -0.354 0.000 3.752 154 R HA 0.167 4.507 4.340 -0.001 0.000 0.291 154 R C -1.046 175.165 176.300 -0.148 0.000 1.433 154 R CA 0.143 56.012 56.100 -0.385 0.000 1.518 154 R CB -0.571 29.507 30.300 -0.370 0.000 1.413 154 R HN 0.415 nan 8.270 nan 0.000 0.676 155 D N 0.853 121.201 120.400 -0.087 0.000 2.945 155 D HA -0.174 4.466 4.640 -0.001 0.000 0.225 155 D C -0.337 175.968 176.300 0.008 0.000 1.158 155 D CA 1.223 55.211 54.000 -0.019 0.000 0.805 155 D CB -0.253 40.533 40.800 -0.023 0.000 1.098 155 D HN 0.318 nan 8.370 nan 0.000 0.426 156 R N -0.357 120.147 120.500 0.007 0.000 2.673 156 R HA 0.478 4.818 4.340 -0.001 0.000 0.281 156 R C 0.019 176.311 176.300 -0.014 0.000 0.991 156 R CA -0.888 55.206 56.100 -0.011 0.000 0.896 156 R CB 1.317 31.585 30.300 -0.054 0.000 1.201 156 R HN 0.030 nan 8.270 nan 0.000 0.457 157 L N 2.497 123.689 121.223 -0.052 0.000 2.455 157 L HA 0.009 4.348 4.340 -0.001 0.000 0.272 157 L C 1.925 178.719 176.870 -0.127 0.000 1.174 157 L CA -0.053 54.765 54.840 -0.037 0.000 0.869 157 L CB 0.875 42.950 42.059 0.028 0.000 1.130 157 L HN 0.556 nan 8.230 nan 0.000 0.474 158 V N 0.828 120.640 119.914 -0.169 0.000 2.825 158 V HA 0.025 4.144 4.120 -0.001 0.000 0.246 158 V C 1.137 176.993 176.094 -0.397 0.000 1.068 158 V CA 0.591 62.677 62.300 -0.357 0.000 1.088 158 V CB -0.207 31.280 31.823 -0.559 0.000 0.733 158 V HN 0.498 nan 8.190 nan 0.000 0.468 159 F N 0.012 119.980 119.950 0.030 0.000 2.589 159 F HA 0.587 5.114 4.527 -0.001 0.000 0.207 159 F C 0.401 176.303 175.800 0.170 0.000 1.028 159 F CA -0.858 57.199 58.000 0.096 0.000 1.009 159 F CB -0.553 38.520 39.000 0.121 0.000 2.173 159 F HN -0.032 nan 8.300 nan 0.000 0.637 160 L N 1.587 123.009 121.223 0.333 0.000 2.456 160 L HA 0.197 4.537 4.340 -0.001 0.000 0.272 160 L C -0.185 176.711 176.870 0.043 0.000 1.189 160 L CA 0.240 55.118 54.840 0.062 0.000 0.846 160 L CB -0.267 41.772 42.059 -0.034 0.000 1.111 160 L HN 0.551 nan 8.230 nan 0.000 0.475 161 H N 1.289 120.288 119.070 -0.119 0.000 3.042 161 H HA 0.339 4.895 4.556 -0.001 0.000 0.346 161 H C -1.148 174.036 175.328 -0.241 0.000 1.294 161 H CA -0.824 55.110 56.048 -0.191 0.000 1.141 161 H CB 0.810 30.492 29.762 -0.133 0.000 1.872 161 H HN 0.545 nan 8.280 nan 0.000 0.541 162 S N -0.726 114.860 115.700 -0.191 0.000 2.645 162 S HA 0.483 4.953 4.470 -0.001 0.000 0.266 162 S C 1.281 175.865 174.600 -0.026 0.000 1.258 162 S CA 0.167 58.251 58.200 -0.192 0.000 0.990 162 S CB 0.694 63.750 63.200 -0.240 0.000 0.967 162 S HN 0.771 nan 8.310 nan 0.000 0.556 163 A N 1.087 123.892 122.820 -0.026 0.000 2.072 163 A HA 0.157 4.476 4.320 -0.001 0.000 0.216 163 A C 0.694 178.297 177.584 0.033 0.000 1.156 163 A CA 0.468 52.525 52.037 0.033 0.000 0.701 163 A CB -0.246 18.765 19.000 0.017 0.000 0.816 163 A HN 0.764 nan 8.150 nan 0.000 0.458 164 D N -0.028 120.355 120.400 -0.029 0.000 2.347 164 D HA 0.083 4.723 4.640 -0.001 0.000 0.235 164 D C 1.066 177.261 176.300 -0.175 0.000 1.149 164 D CA -0.392 53.554 54.000 -0.091 0.000 0.850 164 D CB 0.265 41.008 40.800 -0.095 0.000 1.061 164 D HN 0.568 nan 8.370 nan 0.000 0.487 165 H N 2.942 121.941 119.070 -0.118 0.000 2.546 165 H HA 0.026 4.582 4.556 -0.001 0.000 0.277 165 H C 0.208 175.394 175.328 -0.236 0.000 1.004 165 H CA 0.236 56.174 56.048 -0.184 0.000 1.231 165 H CB 0.125 29.820 29.762 -0.112 0.000 1.382 165 H HN 0.331 nan 8.280 nan 0.000 0.580 166 N N 1.051 119.471 118.700 -0.466 0.000 2.521 166 N HA -0.059 4.680 4.740 -0.001 0.000 0.188 166 N C 0.206 175.635 175.510 -0.135 0.000 1.146 166 N CA 0.252 53.178 53.050 -0.206 0.000 0.893 166 N CB 0.664 39.034 38.487 -0.195 0.000 0.975 166 N HN 0.626 nan 8.380 nan 0.000 0.451 167 E N -0.434 119.562 120.200 -0.339 0.000 2.151 167 E HA 0.210 4.559 4.350 -0.001 0.000 0.275 167 E C -0.605 175.724 176.600 -0.451 0.000 0.936 167 E CA -0.412 55.884 56.400 -0.174 0.000 0.777 167 E CB 0.779 30.433 29.700 -0.075 0.000 1.108 167 E HN -0.065 nan 8.360 nan 0.000 0.401 168 F N 3.527 123.523 119.950 0.076 0.000 2.706 168 F HA 0.114 4.640 4.527 -0.001 0.000 0.313 168 F C 1.452 177.233 175.800 -0.032 0.000 1.096 168 F CA -0.735 57.312 58.000 0.078 0.000 1.219 168 F CB 0.186 39.364 39.000 0.296 0.000 1.051 168 F HN 0.648 nan 8.300 nan 0.000 0.568 169 W N 1.014 122.209 121.300 -0.176 0.000 2.338 169 W HA -0.214 4.446 4.660 -0.000 0.000 0.304 169 W C 1.923 178.363 176.519 -0.131 0.000 1.212 169 W CA 1.605 58.682 57.345 -0.448 0.000 1.264 169 W CB -1.517 27.415 29.460 -0.880 0.000 1.142 169 W HN 0.166 nan 8.180 nan 0.000 0.512 170 S N 1.770 116.759 115.700 -1.185 0.000 2.371 170 S HA 0.009 4.478 4.470 -0.001 0.000 0.224 170 S C 2.280 176.625 174.600 -0.426 0.000 1.029 170 S CA 1.497 59.028 58.200 -1.114 0.000 0.978 170 S CB -1.043 61.267 63.200 -1.484 0.000 0.833 170 S HN 0.329 nan 8.310 nan 0.000 0.466 171 A N 2.331 124.998 122.820 -0.254 0.000 1.892 171 A HA 0.019 4.338 4.320 -0.001 0.000 0.218 171 A C 2.365 180.004 177.584 0.092 0.000 1.188 171 A CA 1.766 53.810 52.037 0.011 0.000 0.631 171 A CB -1.020 18.075 19.000 0.158 0.000 0.822 171 A HN 0.561 nan 8.150 nan 0.000 0.447 172 L N -0.911 120.392 121.223 0.134 0.000 2.109 172 L HA -0.105 4.234 4.340 -0.001 0.000 0.207 172 L C 2.589 179.380 176.870 -0.131 0.000 1.086 172 L CA 0.802 55.768 54.840 0.210 0.000 0.760 172 L CB -0.492 41.821 42.059 0.424 0.000 0.910 172 L HN 0.439 nan 8.230 nan 0.000 0.437 173 L N 0.199 121.171 121.223 -0.419 0.000 2.013 173 L HA -0.293 4.047 4.340 -0.001 0.000 0.212 173 L C 2.664 179.346 176.870 -0.313 0.000 1.073 173 L CA 1.917 56.289 54.840 -0.780 0.000 0.753 173 L CB -0.292 41.545 42.059 -0.370 0.000 0.890 173 L HN 0.436 nan 8.230 nan 0.000 0.432 174 E N 0.073 120.168 120.200 -0.176 0.000 2.077 174 E HA -0.320 4.030 4.350 -0.001 0.000 0.193 174 E C 2.211 178.679 176.600 -0.219 0.000 0.989 174 E CA 1.563 57.884 56.400 -0.131 0.000 0.800 174 E CB -0.020 29.625 29.700 -0.093 0.000 0.746 174 E HN 0.396 nan 8.360 nan 0.000 0.452 175 K N 0.053 120.395 120.400 -0.095 0.000 2.057 175 K HA -0.147 4.173 4.320 -0.001 0.000 0.207 175 K C 2.052 178.639 176.600 -0.022 0.000 1.049 175 K CA 1.183 57.468 56.287 -0.004 0.000 0.931 175 K CB -0.181 32.535 32.500 0.360 0.000 0.714 175 K HN 0.150 nan 8.250 nan 0.000 0.440 176 A N 0.179 123.024 122.820 0.041 0.000 1.933 176 A HA -0.187 4.132 4.320 -0.001 0.000 0.218 176 A C 2.031 179.695 177.584 0.133 0.000 1.175 176 A CA 1.271 53.413 52.037 0.176 0.000 0.628 176 A CB -0.800 18.394 19.000 0.323 0.000 0.814 176 A HN 0.519 nan 8.150 nan 0.000 0.444 177 Y N 0.388 120.596 120.300 -0.153 0.000 2.200 177 Y HA 0.001 4.551 4.550 -0.001 0.000 0.290 177 Y C 2.743 178.400 175.900 -0.405 0.000 1.137 177 Y CA 0.612 58.450 58.100 -0.435 0.000 1.163 177 Y CB -0.654 37.590 38.460 -0.360 0.000 0.988 177 Y HN 0.318 nan 8.280 nan 0.000 0.518 178 A N 0.136 122.712 122.820 -0.407 0.000 1.908 178 A HA -0.269 4.051 4.320 -0.001 0.000 0.218 178 A C 2.339 179.609 177.584 -0.522 0.000 1.181 178 A CA 2.101 53.852 52.037 -0.477 0.000 0.627 178 A CB -0.754 17.813 19.000 -0.722 0.000 0.818 178 A HN 0.484 nan 8.150 nan 0.000 0.445 179 K N -0.722 119.207 120.400 -0.785 0.000 2.002 179 K HA -0.150 4.170 4.320 -0.001 0.000 0.209 179 K C 1.944 178.236 176.600 -0.513 0.000 1.048 179 K CA 1.583 57.197 56.287 -1.122 0.000 0.930 179 K CB -0.374 31.489 32.500 -1.061 0.000 0.714 179 K HN 0.308 nan 8.250 nan 0.000 0.438 180 L N 2.036 123.047 121.223 -0.353 0.000 2.089 180 L HA -0.226 4.114 4.340 -0.001 0.000 0.213 180 L C 1.482 178.148 176.870 -0.339 0.000 1.079 180 L CA 1.847 56.515 54.840 -0.287 0.000 0.758 180 L CB -0.428 41.416 42.059 -0.359 0.000 0.891 180 L HN 0.306 nan 8.230 nan 0.000 0.433 181 N N -0.982 117.455 118.700 -0.438 0.000 2.353 181 N HA 0.072 4.812 4.740 -0.001 0.000 0.185 181 N C 1.373 176.780 175.510 -0.172 0.000 1.098 181 N CA 0.905 53.746 53.050 -0.348 0.000 0.872 181 N CB 0.706 38.918 38.487 -0.458 0.000 0.970 181 N HN 0.587 nan 8.380 nan 0.000 0.467 182 G N 0.638 109.356 108.800 -0.137 0.000 2.284 182 G HA2 -0.266 3.693 3.960 -0.001 0.000 0.230 182 G HA3 -0.266 3.693 3.960 -0.001 0.000 0.230 182 G C 0.074 175.131 174.900 0.261 0.000 1.021 182 G CA 0.423 45.551 45.100 0.047 0.000 0.619 182 G HN 0.618 nan 8.290 nan 0.000 0.510 183 S N -2.019 113.809 115.700 0.213 0.000 2.615 183 S HA 0.589 5.058 4.470 -0.001 0.000 0.268 183 S C 0.210 174.934 174.600 0.206 0.000 1.146 183 S CA 0.046 58.461 58.200 0.358 0.000 0.818 183 S CB 0.686 64.074 63.200 0.313 0.000 1.111 183 S HN 0.419 nan 8.310 nan 0.000 0.465 184 Y N 0.929 121.274 120.300 0.074 0.000 2.224 184 Y HA -0.013 4.537 4.550 -0.001 0.000 0.289 184 Y C 2.666 178.504 175.900 -0.104 0.000 1.146 184 Y CA 2.063 60.098 58.100 -0.109 0.000 1.182 184 Y CB -0.182 38.063 38.460 -0.358 0.000 0.983 184 Y HN 0.955 nan 8.280 nan 0.000 0.524 185 E N -0.020 120.238 120.200 0.097 0.000 2.106 185 E HA -0.176 4.174 4.350 -0.001 0.000 0.192 185 E C 2.202 178.837 176.600 0.059 0.000 0.984 185 E CA 0.842 57.241 56.400 -0.002 0.000 0.806 185 E CB -0.210 29.336 29.700 -0.256 0.000 0.750 185 E HN 0.383 nan 8.360 nan 0.000 0.458 186 A N 0.640 123.559 122.820 0.165 0.000 2.186 186 A HA -0.114 4.205 4.320 -0.001 0.000 0.219 186 A C 1.962 179.507 177.584 -0.066 0.000 1.159 186 A CA 0.778 52.888 52.037 0.121 0.000 0.680 186 A CB -0.422 18.631 19.000 0.088 0.000 0.787 186 A HN 0.329 nan 8.150 nan 0.000 0.467 187 L N -0.415 120.742 121.223 -0.109 0.000 2.307 187 L HA 0.001 4.341 4.340 -0.001 0.000 0.211 187 L C 0.790 177.533 176.870 -0.212 0.000 1.099 187 L CA 0.252 54.995 54.840 -0.163 0.000 0.816 187 L CB -0.254 41.718 42.059 -0.146 0.000 0.952 187 L HN 0.394 nan 8.230 nan 0.000 0.455 188 K N 0.465 120.701 120.400 -0.273 0.000 2.326 188 K HA 0.327 4.646 4.320 -0.001 0.000 0.275 188 K C 0.911 176.928 176.600 -0.971 0.000 1.018 188 K CA 0.440 56.396 56.287 -0.552 0.000 0.962 188 K CB 0.752 32.972 32.500 -0.467 0.000 0.953 188 K HN 0.142 nan 8.250 nan 0.000 0.475 189 G N 1.585 109.627 108.800 -1.263 0.000 2.199 189 G HA2 -0.265 3.694 3.960 -0.001 0.000 0.254 189 G HA3 -0.265 3.694 3.960 -0.001 0.000 0.254 189 G C 0.541 175.270 174.900 -0.285 0.000 0.982 189 G CA -0.062 44.462 45.100 -0.960 0.000 0.632 189 G HN 1.012 nan 8.290 nan 0.000 0.529 190 G N 0.017 108.686 108.800 -0.219 0.000 2.664 190 G HA2 0.468 4.428 3.960 -0.001 0.000 0.242 190 G HA3 0.468 4.428 3.960 -0.001 0.000 0.242 190 G C 0.360 175.288 174.900 0.046 0.000 1.225 190 G CA 1.049 46.104 45.100 -0.074 0.000 0.849 190 G HN 1.197 nan 8.290 nan 0.000 0.581 191 S N -0.266 115.452 115.700 0.029 0.000 2.513 191 S HA 0.443 4.913 4.470 -0.001 0.000 0.276 191 S C 1.455 175.790 174.600 -0.442 0.000 1.254 191 S CA 0.081 58.265 58.200 -0.026 0.000 1.053 191 S CB 1.123 64.390 63.200 0.111 0.000 0.958 191 S HN 1.022 nan 8.310 nan 0.000 0.491 192 A N 5.735 127.846 122.820 -1.181 0.000 2.070 192 A HA 0.024 4.344 4.320 -0.001 0.000 0.220 192 A C 1.836 178.991 177.584 -0.716 0.000 1.159 192 A CA 0.976 52.343 52.037 -1.116 0.000 0.656 192 A CB -0.542 17.401 19.000 -1.762 0.000 0.800 192 A HN 0.891 nan 8.150 nan 0.000 0.453 193 I N -0.835 119.368 120.570 -0.611 0.000 2.233 193 I HA -0.199 3.970 4.170 -0.001 0.000 0.243 193 I C 2.529 178.512 176.117 -0.223 0.000 1.093 193 I CA 1.680 62.810 61.300 -0.285 0.000 1.380 193 I CB -0.725 37.233 38.000 -0.070 0.000 1.067 193 I HN 0.545 nan 8.210 nan 0.000 0.413 194 E N 1.453 121.536 120.200 -0.196 0.000 2.058 194 E HA -0.246 4.104 4.350 -0.001 0.000 0.194 194 E C 2.286 178.724 176.600 -0.270 0.000 0.997 194 E CA 1.592 57.890 56.400 -0.170 0.000 0.801 194 E CB 0.010 29.639 29.700 -0.119 0.000 0.746 194 E HN 0.438 nan 8.360 nan 0.000 0.450 195 A N 0.661 123.243 122.820 -0.397 0.000 1.908 195 A HA -0.228 4.092 4.320 -0.001 0.000 0.218 195 A C 2.110 179.055 177.584 -1.066 0.000 1.181 195 A CA 1.884 53.431 52.037 -0.816 0.000 0.627 195 A CB -0.564 17.883 19.000 -0.923 0.000 0.818 195 A HN 0.375 nan 8.150 nan 0.000 0.445 196 M N 0.068 119.311 119.600 -0.596 0.000 2.159 196 M HA -0.124 4.356 4.480 -0.001 0.000 0.263 196 M C 1.758 177.948 176.300 -0.183 0.000 1.063 196 M CA 1.779 56.894 55.300 -0.309 0.000 1.110 196 M CB -0.563 31.937 32.600 -0.167 0.000 1.374 196 M HN 0.563 nan 8.290 nan 0.000 0.411 197 E N -0.327 119.757 120.200 -0.192 0.000 2.051 197 E HA -0.213 4.136 4.350 -0.001 0.000 0.192 197 E C 1.590 178.149 176.600 -0.069 0.000 0.991 197 E CA 1.429 57.762 56.400 -0.112 0.000 0.799 197 E CB -0.285 29.366 29.700 -0.082 0.000 0.748 197 E HN 0.522 nan 8.360 nan 0.000 0.449 198 D N 0.051 120.377 120.400 -0.125 0.000 2.178 198 D HA -0.139 4.500 4.640 -0.001 0.000 0.201 198 D C 1.457 177.928 176.300 0.286 0.000 0.980 198 D CA 0.910 54.924 54.000 0.023 0.000 0.842 198 D CB -0.122 40.653 40.800 -0.042 0.000 0.948 198 D HN 0.152 nan 8.370 nan 0.000 0.472 199 F N 0.156 120.186 119.950 0.134 0.000 2.615 199 F HA 0.082 4.608 4.527 -0.001 0.000 0.297 199 F C 2.275 178.259 175.800 0.306 0.000 1.124 199 F CA 0.758 58.895 58.000 0.228 0.000 1.451 199 F CB -0.664 38.388 39.000 0.086 0.000 1.103 199 F HN 0.008 nan 8.300 nan 0.000 0.569 200 T N -5.642 109.116 114.554 0.341 0.000 2.980 200 T HA 0.431 4.781 4.350 -0.001 0.000 0.252 200 T C 1.781 176.516 174.700 0.058 0.000 0.962 200 T CA 0.630 62.876 62.100 0.244 0.000 0.932 200 T CB 0.464 69.382 68.868 0.084 0.000 1.188 200 T HN 0.261 nan 8.240 nan 0.000 0.500 201 G N 1.211 109.815 108.800 -0.326 0.000 2.205 201 G HA2 -0.073 3.887 3.960 -0.001 0.000 0.261 201 G HA3 -0.073 3.887 3.960 -0.001 0.000 0.261 201 G C 0.605 175.058 174.900 -0.746 0.000 0.980 201 G CA 0.087 44.517 45.100 -1.118 0.000 0.632 201 G HN 1.056 nan 8.290 nan 0.000 0.533 202 G N -1.173 107.429 108.800 -0.329 0.000 2.651 202 G HA2 0.596 4.555 3.960 -0.001 0.000 0.260 202 G HA3 0.596 4.555 3.960 -0.001 0.000 0.260 202 G C -0.345 174.475 174.900 -0.133 0.000 1.216 202 G CA 0.330 45.313 45.100 -0.194 0.000 0.913 202 G HN 1.096 nan 8.290 nan 0.000 0.535 203 V N 0.077 119.946 119.914 -0.075 0.000 2.638 203 V HA 0.624 4.743 4.120 -0.001 0.000 0.306 203 V C 0.512 176.595 176.094 -0.017 0.000 1.052 203 V CA -0.801 61.479 62.300 -0.034 0.000 0.885 203 V CB 1.333 33.146 31.823 -0.017 0.000 0.999 203 V HN 1.150 nan 8.190 nan 0.000 0.424 204 A N 3.083 125.903 122.820 0.000 0.000 2.407 204 A HA 0.491 4.810 4.320 -0.001 0.000 0.248 204 A C 0.147 177.744 177.584 0.021 0.000 1.082 204 A CA -0.122 51.934 52.037 0.032 0.000 0.785 204 A CB 0.281 19.320 19.000 0.064 0.000 1.020 204 A HN 0.906 nan 8.150 nan 0.000 0.489 205 E N 0.415 120.635 120.200 0.034 0.000 2.331 205 E HA 0.364 4.713 4.350 -0.001 0.000 0.272 205 E C 0.010 176.560 176.600 -0.083 0.000 1.036 205 E CA -0.028 56.327 56.400 -0.075 0.000 0.864 205 E CB 0.644 30.288 29.700 -0.092 0.000 1.035 205 E HN 0.720 nan 8.360 nan 0.000 0.408 206 T N 1.601 116.010 114.554 -0.241 0.000 2.829 206 T HA 0.569 4.919 4.350 -0.001 0.000 0.280 206 T C -0.849 173.645 174.700 -0.342 0.000 0.999 206 T CA -0.674 61.360 62.100 -0.109 0.000 0.983 206 T CB 0.385 69.260 68.868 0.012 0.000 0.968 206 T HN 0.287 nan 8.240 nan 0.000 0.446 207 F N 1.077 121.098 119.950 0.118 0.000 2.551 207 F HA 0.471 4.998 4.527 -0.001 0.000 0.316 207 F C 0.473 176.279 175.800 0.010 0.000 1.089 207 F CA -1.168 56.846 58.000 0.023 0.000 0.915 207 F CB 2.354 41.351 39.000 -0.004 0.000 1.186 207 F HN 0.469 nan 8.300 nan 0.000 0.456 208 Q N 1.133 120.989 119.800 0.093 0.000 2.296 208 Q HA 0.186 4.526 4.340 -0.001 0.000 0.257 208 Q C 1.016 176.978 176.000 -0.064 0.000 0.942 208 Q CA -0.160 55.663 55.803 0.032 0.000 0.939 208 Q CB 1.691 30.428 28.738 -0.002 0.000 1.198 208 Q HN 0.921 nan 8.270 nan 0.000 0.429 209 T N -0.002 114.545 114.554 -0.012 0.000 2.803 209 T HA -0.174 4.176 4.350 -0.001 0.000 0.269 209 T C 1.173 175.820 174.700 -0.088 0.000 1.052 209 T CA 1.153 63.231 62.100 -0.036 0.000 1.136 209 T CB 0.043 68.889 68.868 -0.036 0.000 0.864 209 T HN 0.427 nan 8.240 nan 0.000 0.467 210 K N 0.602 120.960 120.400 -0.070 0.000 2.404 210 K HA 0.253 4.573 4.320 -0.001 0.000 0.194 210 K C 1.048 177.614 176.600 -0.056 0.000 1.023 210 K CA 0.221 56.471 56.287 -0.061 0.000 1.094 210 K CB 0.415 32.884 32.500 -0.052 0.000 0.841 210 K HN 0.418 nan 8.250 nan 0.000 0.523 211 E N 0.820 120.976 120.200 -0.074 0.000 4.017 211 E HA 0.233 4.582 4.350 -0.001 0.000 0.205 211 E C -1.387 175.154 176.600 -0.097 0.000 1.054 211 E CA -0.316 56.047 56.400 -0.062 0.000 1.398 211 E CB 0.861 30.537 29.700 -0.040 0.000 1.164 211 E HN 0.213 nan 8.360 nan 0.000 0.445 212 A N 1.183 123.906 122.820 -0.162 0.000 2.282 212 A HA 0.711 5.031 4.320 -0.001 0.000 0.319 212 A C -2.391 175.120 177.584 -0.121 0.000 1.121 212 A CA -1.360 50.488 52.037 -0.316 0.000 0.836 212 A CB 0.333 18.858 19.000 -0.791 0.000 1.146 212 A HN 0.140 nan 8.150 nan 0.000 0.494 213 P HA 0.212 nan 4.420 nan 0.000 0.270 213 P C 0.038 177.414 177.300 0.126 0.000 1.223 213 P CA -0.057 63.086 63.100 0.071 0.000 0.785 213 P CB 0.471 32.254 31.700 0.138 0.000 0.923 214 E N 0.903 121.173 120.200 0.116 0.000 2.110 214 E HA -0.170 4.180 4.350 -0.001 0.000 0.193 214 E C 0.990 177.693 176.600 0.171 0.000 0.988 214 E CA 1.271 57.747 56.400 0.127 0.000 0.804 214 E CB -0.652 29.101 29.700 0.087 0.000 0.745 214 E HN 0.486 nan 8.360 nan 0.000 0.458 215 N N 0.632 119.434 118.700 0.169 0.000 2.389 215 N HA -0.044 4.695 4.740 -0.001 0.000 0.237 215 N C 0.605 176.264 175.510 0.249 0.000 1.148 215 N CA -0.154 53.002 53.050 0.178 0.000 0.854 215 N CB -0.288 38.271 38.487 0.120 0.000 1.115 215 N HN 0.022 nan 8.380 nan 0.000 0.492 216 F N 1.515 121.541 119.950 0.127 0.000 2.120 216 F HA -0.188 4.339 4.527 -0.001 0.000 0.300 216 F C 1.928 177.762 175.800 0.058 0.000 1.095 216 F CA 0.807 58.869 58.000 0.103 0.000 1.249 216 F CB -0.655 38.481 39.000 0.227 0.000 0.995 216 F HN 0.194 nan 8.300 nan 0.000 0.480 217 Y N 1.014 121.278 120.300 -0.061 0.000 2.114 217 Y HA -0.297 4.252 4.550 -0.001 0.000 0.282 217 Y C 2.261 177.940 175.900 -0.368 0.000 1.165 217 Y CA 2.400 60.189 58.100 -0.517 0.000 1.148 217 Y CB -0.371 37.796 38.460 -0.489 0.000 0.972 217 Y HN 0.098 nan 8.280 nan 0.000 0.504 218 E N 0.395 120.619 120.200 0.040 0.000 2.107 218 E HA -0.124 4.226 4.350 -0.001 0.000 0.191 218 E C 2.178 178.711 176.600 -0.113 0.000 0.982 218 E CA 1.450 57.848 56.400 -0.003 0.000 0.809 218 E CB -0.331 29.416 29.700 0.078 0.000 0.756 218 E HN 0.584 nan 8.360 nan 0.000 0.459 219 I N 0.447 120.965 120.570 -0.087 0.000 2.127 219 I HA -0.310 3.860 4.170 -0.001 0.000 0.241 219 I C 2.098 178.076 176.117 -0.232 0.000 1.075 219 I CA 1.159 62.398 61.300 -0.102 0.000 1.334 219 I CB -0.280 37.697 38.000 -0.039 0.000 1.040 219 I HN 0.116 nan 8.210 nan 0.000 0.405 220 L N 0.091 121.063 121.223 -0.418 0.000 2.083 220 L HA -0.224 4.116 4.340 -0.001 0.000 0.209 220 L C 2.608 179.215 176.870 -0.439 0.000 1.083 220 L CA 1.382 55.921 54.840 -0.502 0.000 0.752 220 L CB -0.637 40.970 42.059 -0.753 0.000 0.899 220 L HN 0.336 nan 8.230 nan 0.000 0.433 221 E N 0.705 120.607 120.200 -0.497 0.000 2.051 221 E HA -0.241 4.109 4.350 -0.001 0.000 0.192 221 E C 2.153 178.615 176.600 -0.231 0.000 0.991 221 E CA 1.292 57.444 56.400 -0.413 0.000 0.799 221 E CB 0.159 29.607 29.700 -0.420 0.000 0.748 221 E HN 0.407 nan 8.360 nan 0.000 0.449 222 K N 0.028 120.326 120.400 -0.170 0.000 2.057 222 K HA -0.098 4.221 4.320 -0.001 0.000 0.206 222 K C 2.176 178.725 176.600 -0.086 0.000 1.050 222 K CA 0.954 57.182 56.287 -0.098 0.000 0.935 222 K CB -0.128 32.337 32.500 -0.058 0.000 0.715 222 K HN 0.103 nan 8.250 nan 0.000 0.439 223 A N 1.557 124.317 122.820 -0.099 0.000 1.883 223 A HA -0.161 4.159 4.320 -0.001 0.000 0.217 223 A C 2.153 179.687 177.584 -0.083 0.000 1.186 223 A CA 1.324 53.320 52.037 -0.069 0.000 0.624 223 A CB -0.684 18.279 19.000 -0.062 0.000 0.822 223 A HN 0.158 nan 8.150 nan 0.000 0.444 224 L N -0.899 120.243 121.223 -0.134 0.000 2.017 224 L HA -0.207 4.133 4.340 -0.001 0.000 0.208 224 L C 2.638 179.452 176.870 -0.093 0.000 1.073 224 L CA 1.860 56.622 54.840 -0.130 0.000 0.745 224 L CB -0.347 41.597 42.059 -0.191 0.000 0.894 224 L HN 0.340 nan 8.230 nan 0.000 0.432 225 K N -0.517 119.828 120.400 -0.093 0.000 2.147 225 K HA -0.211 4.109 4.320 -0.001 0.000 0.205 225 K C 2.214 178.788 176.600 -0.044 0.000 1.049 225 K CA 1.106 57.354 56.287 -0.065 0.000 0.936 225 K CB -0.117 32.346 32.500 -0.062 0.000 0.722 225 K HN 0.144 nan 8.250 nan 0.000 0.446 226 R N -0.294 120.181 120.500 -0.041 0.000 2.189 226 R HA -0.110 4.230 4.340 -0.001 0.000 0.223 226 R C 0.830 177.119 176.300 -0.020 0.000 1.092 226 R CA 1.252 57.336 56.100 -0.025 0.000 0.989 226 R CB 0.084 30.372 30.300 -0.020 0.000 0.876 226 R HN 0.404 nan 8.270 nan 0.000 0.457 227 G N -0.268 108.517 108.800 -0.025 0.000 2.159 227 G HA2 -0.235 3.725 3.960 -0.001 0.000 0.227 227 G HA3 -0.235 3.725 3.960 -0.001 0.000 0.227 227 G C -0.056 174.840 174.900 -0.005 0.000 0.986 227 G CA 0.250 45.341 45.100 -0.015 0.000 0.651 227 G HN 0.353 nan 8.290 nan 0.000 0.523 228 S N 0.283 115.979 115.700 -0.007 0.000 2.573 228 S HA 0.481 4.951 4.470 -0.001 0.000 0.277 228 S C 0.846 175.457 174.600 0.019 0.000 1.346 228 S CA -0.174 58.031 58.200 0.008 0.000 1.034 228 S CB 0.906 64.114 63.200 0.013 0.000 0.879 228 S HN 0.453 nan 8.310 nan 0.000 0.528 229 L N 2.466 123.711 121.223 0.036 0.000 2.331 229 L HA 0.348 4.688 4.340 -0.001 0.000 0.278 229 L C -0.892 176.039 176.870 0.100 0.000 1.106 229 L CA -0.462 54.422 54.840 0.075 0.000 0.824 229 L CB 0.052 42.128 42.059 0.028 0.000 1.142 229 L HN 0.376 nan 8.230 nan 0.000 0.443 230 L N 3.009 124.313 121.223 0.135 0.000 2.362 230 L HA 0.763 5.102 4.340 -0.001 0.000 0.275 230 L C 0.337 177.329 176.870 0.203 0.000 0.998 230 L CA 0.006 54.917 54.840 0.119 0.000 0.820 230 L CB 1.929 43.980 42.059 -0.013 0.000 1.270 230 L HN 0.584 nan 8.230 nan 0.000 0.415 231 G N 0.590 109.526 108.800 0.226 0.000 2.533 231 G HA2 0.726 4.686 3.960 -0.001 0.000 0.304 231 G HA3 0.726 4.686 3.960 -0.001 0.000 0.304 231 G C -1.212 173.637 174.900 -0.085 0.000 1.263 231 G CA -0.625 44.568 45.100 0.154 0.000 0.964 231 G HN 0.867 nan 8.290 nan 0.000 0.479 232 C N -0.971 118.061 119.300 -0.447 0.000 2.888 232 C HA 0.942 5.401 4.460 -0.001 0.000 0.308 232 C C -1.189 173.510 174.990 -0.484 0.000 1.213 232 C CA -1.476 57.338 59.018 -0.340 0.000 1.461 232 C CB 0.174 27.745 27.740 -0.280 0.000 1.934 232 C HN 0.557 nan 8.230 nan 0.000 0.474 233 F N 0.331 120.553 119.950 0.452 0.000 2.626 233 F HA 0.763 5.290 4.527 -0.001 0.000 0.311 233 F C -0.260 175.801 175.800 0.435 0.000 1.088 233 F CA -1.072 57.225 58.000 0.494 0.000 0.949 233 F CB 1.471 40.665 39.000 0.325 0.000 1.322 233 F HN 0.493 nan 8.300 nan 0.000 0.461 234 I N 1.696 122.560 120.570 0.490 0.000 2.378 234 I HA 0.283 4.453 4.170 -0.001 0.000 0.291 234 I C -0.775 175.478 176.117 0.226 0.000 0.992 234 I CA -0.822 60.611 61.300 0.222 0.000 1.154 234 I CB 1.154 39.173 38.000 0.031 0.000 1.315 234 I HN 0.420 nan 8.210 nan 0.000 0.448 235 D N 4.272 124.765 120.400 0.154 0.000 2.443 235 D HA 0.113 4.752 4.640 -0.001 0.000 0.239 235 D C 0.279 176.632 176.300 0.088 0.000 1.136 235 D CA 0.357 54.422 54.000 0.110 0.000 0.879 235 D CB 1.058 41.898 40.800 0.068 0.000 1.195 235 D HN 0.554 nan 8.370 nan 0.000 0.443 236 T N -0.173 114.430 114.554 0.082 0.000 2.829 236 T HA 0.337 4.687 4.350 -0.001 0.000 0.282 236 T C 1.016 175.742 174.700 0.044 0.000 0.990 236 T CA -0.927 61.213 62.100 0.068 0.000 1.028 236 T CB 1.846 70.760 68.868 0.076 0.000 0.951 236 T HN 0.074 nan 8.240 nan 0.000 0.460 237 R N 1.180 121.701 120.500 0.035 0.000 2.275 237 R HA 0.192 4.532 4.340 -0.001 0.000 0.199 237 R C 0.765 177.078 176.300 0.022 0.000 0.989 237 R CA 0.375 56.489 56.100 0.023 0.000 1.016 237 R CB -0.539 29.772 30.300 0.018 0.000 0.918 237 R HN 0.953 nan 8.270 nan 0.000 0.473 238 S N -3.818 111.899 115.700 0.028 0.000 2.615 238 S HA 0.406 4.876 4.470 -0.001 0.000 0.268 238 S C 0.595 175.216 174.600 0.034 0.000 1.146 238 S CA -0.245 57.970 58.200 0.026 0.000 0.818 238 S CB 0.926 64.138 63.200 0.021 0.000 1.111 238 S HN -0.048 nan 8.310 nan 0.000 0.465 239 A N 1.241 124.080 122.820 0.031 0.000 2.009 239 A HA 0.033 4.352 4.320 -0.001 0.000 0.222 239 A C 2.362 179.972 177.584 0.044 0.000 1.175 239 A CA 2.853 54.912 52.037 0.037 0.000 0.651 239 A CB -1.761 17.256 19.000 0.027 0.000 0.815 239 A HN 1.842 nan 8.150 nan 0.000 0.459 240 A N -0.428 122.414 122.820 0.037 0.000 1.948 240 A HA -0.215 4.104 4.320 -0.001 0.000 0.220 240 A C 1.878 179.491 177.584 0.048 0.000 1.177 240 A CA 1.683 53.743 52.037 0.039 0.000 0.636 240 A CB -0.474 18.544 19.000 0.031 0.000 0.815 240 A HN 0.674 nan 8.150 nan 0.000 0.449 241 E N 0.208 120.439 120.200 0.053 0.000 2.427 241 E HA 0.017 4.366 4.350 -0.001 0.000 0.196 241 E C 0.497 177.149 176.600 0.087 0.000 1.028 241 E CA 0.135 56.572 56.400 0.063 0.000 0.864 241 E CB -0.033 29.703 29.700 0.060 0.000 0.813 241 E HN 0.435 nan 8.360 nan 0.000 0.514 242 S N 1.455 117.210 115.700 0.092 0.000 2.544 242 S HA -0.096 4.373 4.470 -0.001 0.000 0.290 242 S C 0.538 175.218 174.600 0.132 0.000 1.276 242 S CA 0.117 58.391 58.200 0.123 0.000 1.075 242 S CB 0.078 63.344 63.200 0.111 0.000 0.849 242 S HN 0.169 nan 8.310 nan 0.000 0.494 243 E N 0.184 120.488 120.200 0.173 0.000 2.660 243 E HA -0.245 4.105 4.350 -0.001 0.000 0.260 243 E C 0.140 176.789 176.600 0.082 0.000 1.122 243 E CA 1.002 57.493 56.400 0.151 0.000 0.755 243 E CB -2.031 27.760 29.700 0.151 0.000 1.345 243 E HN 0.788 nan 8.360 nan 0.000 0.421 244 A N 1.073 123.943 122.820 0.085 0.000 2.409 244 A HA 0.371 4.691 4.320 -0.001 0.000 0.262 244 A C 0.578 178.192 177.584 0.050 0.000 1.113 244 A CA -0.064 52.008 52.037 0.057 0.000 0.790 244 A CB 0.411 19.445 19.000 0.057 0.000 1.046 244 A HN 0.214 nan 8.150 nan 0.000 0.496 245 R N 1.342 121.858 120.500 0.027 0.000 2.404 245 R HA 0.433 4.773 4.340 -0.001 0.000 0.291 245 R C 0.404 176.728 176.300 0.041 0.000 1.025 245 R CA 0.187 56.302 56.100 0.024 0.000 0.991 245 R CB 0.810 31.107 30.300 -0.005 0.000 1.053 245 R HN 0.871 nan 8.270 nan 0.000 0.479 246 T N 0.736 115.332 114.554 0.070 0.000 2.902 246 T HA 0.343 4.693 4.350 -0.001 0.000 0.280 246 T C -1.795 172.952 174.700 0.080 0.000 0.992 246 T CA -1.757 60.407 62.100 0.107 0.000 1.015 246 T CB 1.499 70.478 68.868 0.185 0.000 1.044 246 T HN 0.402 nan 8.240 nan 0.000 0.520 247 P HA 0.086 nan 4.420 nan 0.000 0.225 247 P C 0.657 177.807 177.300 -0.250 0.000 1.148 247 P CA 0.762 63.794 63.100 -0.113 0.000 0.779 247 P CB -0.185 31.402 31.700 -0.189 0.000 0.780 248 F N -1.129 118.774 119.950 -0.078 0.000 2.811 248 F HA 0.293 4.820 4.527 -0.000 0.000 0.301 248 F C 1.724 177.408 175.800 -0.194 0.000 1.151 248 F CA 0.662 58.526 58.000 -0.226 0.000 1.412 248 F CB -0.625 38.260 39.000 -0.192 0.000 1.113 248 F HN -0.015 nan 8.300 nan 0.000 0.579 249 G N 0.923 109.742 108.800 0.032 0.000 2.137 249 G HA2 -0.266 3.693 3.960 -0.001 0.000 0.237 249 G HA3 -0.266 3.693 3.960 -0.001 0.000 0.237 249 G C -0.047 174.906 174.900 0.087 0.000 1.002 249 G CA -0.183 44.921 45.100 0.006 0.000 0.702 249 G HN 0.278 nan 8.290 nan 0.000 0.515 250 L N -0.465 120.845 121.223 0.144 0.000 2.332 250 L HA 0.798 5.138 4.340 -0.001 0.000 0.269 250 L C 0.580 177.530 176.870 0.133 0.000 1.016 250 L CA -1.349 53.582 54.840 0.152 0.000 0.809 250 L CB 1.696 43.763 42.059 0.013 0.000 1.280 250 L HN 0.038 nan 8.230 nan 0.000 0.447 251 I N 0.973 121.673 120.570 0.217 0.000 2.466 251 I HA 0.314 4.484 4.170 -0.001 0.000 0.289 251 I C -0.383 175.887 176.117 0.255 0.000 1.026 251 I CA -0.757 60.624 61.300 0.135 0.000 1.078 251 I CB 1.864 39.783 38.000 -0.134 0.000 1.249 251 I HN 0.484 nan 8.210 nan 0.000 0.429 252 K N 3.503 124.016 120.400 0.187 0.000 2.237 252 K HA 0.375 4.695 4.320 -0.001 0.000 0.270 252 K C 0.920 177.693 176.600 0.289 0.000 1.015 252 K CA 0.040 56.454 56.287 0.211 0.000 0.949 252 K CB 0.781 33.361 32.500 0.132 0.000 0.976 252 K HN 0.940 nan 8.250 nan 0.000 0.472 253 G N 2.121 111.112 108.800 0.318 0.000 2.305 253 G HA2 -0.290 3.670 3.960 -0.001 0.000 0.287 253 G HA3 -0.290 3.670 3.960 -0.001 0.000 0.287 253 G C -0.516 174.645 174.900 0.434 0.000 1.036 253 G CA 0.749 46.044 45.100 0.325 0.000 0.887 253 G HN 0.818 nan 8.290 nan 0.000 0.505 254 H N -0.468 118.855 119.070 0.422 0.000 2.667 254 H HA 0.669 5.224 4.556 -0.001 0.000 0.353 254 H C 0.248 175.843 175.328 0.444 0.000 1.072 254 H CA 0.018 56.294 56.048 0.380 0.000 1.214 254 H CB 1.330 31.249 29.762 0.261 0.000 1.600 254 H HN 0.584 nan 8.280 nan 0.000 0.527 255 A N 4.801 127.721 122.820 0.166 0.000 2.454 255 A HA 0.345 4.665 4.320 -0.001 0.000 0.260 255 A C -1.243 176.271 177.584 -0.117 0.000 1.106 255 A CA 0.153 52.318 52.037 0.213 0.000 0.780 255 A CB -0.424 18.838 19.000 0.437 0.000 1.044 255 A HN 0.687 nan 8.150 nan 0.000 0.498 256 Y N 0.694 120.878 120.300 -0.193 0.000 2.598 256 Y HA 0.591 5.140 4.550 -0.001 0.000 0.340 256 Y C 0.713 176.239 175.900 -0.623 0.000 1.038 256 Y CA -0.417 57.500 58.100 -0.306 0.000 1.100 256 Y CB 2.228 40.624 38.460 -0.107 0.000 1.281 256 Y HN 0.625 nan 8.280 nan 0.000 0.488 257 S N 0.596 115.945 115.700 -0.585 0.000 2.472 257 S HA 0.636 5.106 4.470 -0.001 0.000 0.303 257 S C -1.441 172.919 174.600 -0.401 0.000 1.099 257 S CA -0.610 57.221 58.200 -0.616 0.000 1.077 257 S CB 0.747 63.379 63.200 -0.948 0.000 1.031 257 S HN 0.392 nan 8.310 nan 0.000 0.487 258 V N 4.895 124.626 119.914 -0.304 0.000 2.406 258 V HA 0.335 4.454 4.120 -0.001 0.000 0.272 258 V C 1.342 177.232 176.094 -0.340 0.000 1.043 258 V CA 0.149 62.217 62.300 -0.386 0.000 0.915 258 V CB 0.773 32.369 31.823 -0.379 0.000 0.988 258 V HN 1.096 nan 8.190 nan 0.000 0.466 259 T N 0.564 114.869 114.554 -0.416 0.000 2.975 259 T HA 0.450 4.799 4.350 -0.001 0.000 0.257 259 T C 0.582 175.068 174.700 -0.357 0.000 1.003 259 T CA 0.421 62.315 62.100 -0.342 0.000 0.932 259 T CB 0.638 69.307 68.868 -0.331 0.000 1.087 259 T HN 0.937 nan 8.240 nan 0.000 0.512 260 G N 0.332 108.850 108.800 -0.470 0.000 2.673 260 G HA2 0.664 4.623 3.960 -0.001 0.000 0.292 260 G HA3 0.664 4.623 3.960 -0.001 0.000 0.292 260 G C -2.272 172.373 174.900 -0.425 0.000 1.450 260 G CA -0.779 44.075 45.100 -0.410 0.000 0.837 260 G HN 0.393 nan 8.290 nan 0.000 0.505 261 I N 0.436 120.854 120.570 -0.253 0.000 2.722 261 I HA 0.564 4.734 4.170 -0.001 0.000 0.292 261 I C -1.956 174.127 176.117 -0.056 0.000 1.267 261 I CA -0.612 60.527 61.300 -0.268 0.000 1.036 261 I CB 2.379 39.978 38.000 -0.668 0.000 1.281 261 I HN 0.573 nan 8.210 nan 0.000 0.423 262 D N 3.968 124.426 120.400 0.097 0.000 2.779 262 D HA 0.416 5.056 4.640 -0.001 0.000 0.331 262 D C -1.811 174.522 176.300 0.054 0.000 1.331 262 D CA -0.287 53.776 54.000 0.105 0.000 0.866 262 D CB 2.221 43.062 40.800 0.068 0.000 1.409 262 D HN 0.494 nan 8.370 nan 0.000 0.486 263 Q N 0.263 120.036 119.800 -0.046 0.000 2.397 263 Q HA 0.635 4.975 4.340 -0.001 0.000 0.275 263 Q C -0.852 175.053 176.000 -0.159 0.000 1.090 263 Q CA -1.047 54.680 55.803 -0.128 0.000 0.809 263 Q CB 3.151 31.815 28.738 -0.124 0.000 1.362 263 Q HN 0.344 nan 8.270 nan 0.000 0.431 264 V N -1.905 117.894 119.914 -0.191 0.000 3.040 264 V HA 0.638 4.758 4.120 -0.001 0.000 0.312 264 V C -0.435 175.650 176.094 -0.015 0.000 1.115 264 V CA -0.866 61.361 62.300 -0.121 0.000 0.998 264 V CB 2.123 33.833 31.823 -0.187 0.000 1.042 264 V HN 0.666 nan 8.190 nan 0.000 0.433 265 S N 2.668 118.394 115.700 0.042 0.000 2.400 265 S HA 0.594 5.064 4.470 -0.001 0.000 0.295 265 S C -0.904 173.816 174.600 0.199 0.000 1.113 265 S CA -0.131 58.122 58.200 0.088 0.000 1.064 265 S CB -0.489 62.740 63.200 0.049 0.000 0.990 265 S HN 0.787 nan 8.310 nan 0.000 0.502 266 F N 5.007 124.991 119.950 0.056 0.000 2.496 266 F HA 0.462 4.988 4.527 -0.001 0.000 0.341 266 F C 0.518 176.351 175.800 0.053 0.000 1.134 266 F CA -0.929 57.130 58.000 0.098 0.000 0.968 266 F CB 0.546 39.688 39.000 0.237 0.000 1.205 266 F HN 0.649 nan 8.300 nan 0.000 0.436 267 R N 4.248 124.483 120.500 -0.440 0.000 3.322 267 R HA -0.201 4.138 4.340 -0.001 0.000 0.253 267 R C 1.001 177.184 176.300 -0.195 0.000 0.987 267 R CA 0.823 56.669 56.100 -0.423 0.000 0.666 267 R CB -2.062 27.806 30.300 -0.720 0.000 1.072 267 R HN 1.518 nan 8.270 nan 0.000 0.447 268 G N -0.869 107.875 108.800 -0.093 0.000 2.184 268 G HA2 -0.356 3.603 3.960 -0.001 0.000 0.264 268 G HA3 -0.356 3.603 3.960 -0.001 0.000 0.264 268 G C 0.041 174.935 174.900 -0.011 0.000 0.975 268 G CA 0.842 45.916 45.100 -0.043 0.000 0.642 268 G HN 0.504 nan 8.290 nan 0.000 0.536 269 Q N -0.966 118.845 119.800 0.019 0.000 2.351 269 Q HA 0.592 4.932 4.340 -0.001 0.000 0.273 269 Q C 0.063 176.106 176.000 0.072 0.000 1.077 269 Q CA -1.015 54.820 55.803 0.053 0.000 0.843 269 Q CB 1.713 30.504 28.738 0.088 0.000 1.367 269 Q HN 0.219 nan 8.270 nan 0.000 0.449 270 R N 2.126 122.647 120.500 0.035 0.000 2.210 270 R HA 0.269 4.609 4.340 -0.001 0.000 0.338 270 R C -0.957 175.340 176.300 -0.004 0.000 1.062 270 R CA -0.170 55.929 56.100 -0.002 0.000 0.902 270 R CB 0.268 30.544 30.300 -0.040 0.000 1.050 270 R HN 0.488 nan 8.270 nan 0.000 0.461 271 I N 4.137 124.695 120.570 -0.019 0.000 2.354 271 I HA 0.219 4.389 4.170 -0.001 0.000 0.292 271 I C 0.147 176.161 176.117 -0.172 0.000 0.989 271 I CA -0.681 60.581 61.300 -0.064 0.000 1.188 271 I CB 1.708 39.682 38.000 -0.042 0.000 1.342 271 I HN 0.547 nan 8.210 nan 0.000 0.457 272 E N 6.311 126.437 120.200 -0.123 0.000 2.259 272 E HA 0.480 4.829 4.350 -0.001 0.000 0.281 272 E C -0.808 175.747 176.600 -0.075 0.000 1.037 272 E CA -0.261 56.082 56.400 -0.096 0.000 0.854 272 E CB 1.348 31.004 29.700 -0.074 0.000 1.051 272 E HN 0.395 nan 8.360 nan 0.000 0.409 273 L N 3.594 124.759 121.223 -0.097 0.000 2.319 273 L HA 0.665 5.004 4.340 -0.001 0.000 0.267 273 L C -0.388 176.543 176.870 0.103 0.000 1.011 273 L CA -1.070 53.720 54.840 -0.084 0.000 0.818 273 L CB 1.555 43.434 42.059 -0.301 0.000 1.316 273 L HN 0.506 nan 8.230 nan 0.000 0.432 274 I N 1.038 121.665 120.570 0.095 0.000 2.686 274 I HA 0.432 4.602 4.170 -0.001 0.000 0.295 274 I C -0.955 174.897 176.117 -0.441 0.000 1.114 274 I CA -0.554 60.610 61.300 -0.227 0.000 1.038 274 I CB 2.473 40.189 38.000 -0.473 0.000 1.238 274 I HN 0.613 nan 8.210 nan 0.000 0.420 275 R N 7.767 127.740 120.500 -0.878 0.000 2.338 275 R HA 0.624 4.963 4.340 -0.001 0.000 0.317 275 R C -1.572 174.217 176.300 -0.851 0.000 0.968 275 R CA -0.612 54.778 56.100 -1.183 0.000 0.849 275 R CB 1.028 30.296 30.300 -1.720 0.000 1.128 275 R HN 0.500 nan 8.270 nan 0.000 0.448 276 I N 4.158 124.193 120.570 -0.892 0.000 2.509 276 I HA 0.411 4.581 4.170 -0.001 0.000 0.293 276 I C -0.221 175.394 176.117 -0.836 0.000 1.020 276 I CA -0.699 60.087 61.300 -0.857 0.000 1.088 276 I CB 1.734 39.161 38.000 -0.955 0.000 1.267 276 I HN 0.645 nan 8.210 nan 0.000 0.430 277 R N 4.048 124.241 120.500 -0.512 0.000 2.437 277 R HA 0.333 4.673 4.340 -0.001 0.000 0.310 277 R C -0.501 175.704 176.300 -0.157 0.000 0.955 277 R CA -0.609 55.285 56.100 -0.345 0.000 0.851 277 R CB 1.122 31.220 30.300 -0.338 0.000 1.161 277 R HN 0.576 nan 8.270 nan 0.000 0.446 278 N N 5.756 124.483 118.700 0.045 0.000 2.401 278 N HA 0.126 4.866 4.740 -0.001 0.000 0.255 278 N C -1.907 173.575 175.510 -0.046 0.000 1.110 278 N CA -2.035 51.036 53.050 0.034 0.000 0.949 278 N CB 1.397 40.036 38.487 0.254 0.000 1.110 278 N HN 0.450 nan 8.380 nan 0.000 0.490 279 P HA 0.109 nan 4.420 nan 0.000 0.261 279 P C -0.578 176.813 177.300 0.151 0.000 1.268 279 P CA 0.184 63.232 63.100 -0.088 0.000 0.833 279 P CB 0.019 31.540 31.700 -0.299 0.000 1.231 280 W N 1.681 122.973 121.300 -0.014 0.000 2.533 280 W HA 0.529 5.189 4.660 -0.000 0.000 0.291 280 W C -0.000 176.603 176.519 0.141 0.000 1.013 280 W CA 0.241 57.622 57.345 0.060 0.000 1.436 280 W CB 0.497 29.962 29.460 0.008 0.000 1.291 280 W HN 0.258 nan 8.180 nan 0.000 0.396 281 G N 3.880 112.723 108.800 0.071 0.000 2.728 281 G HA2 -0.136 3.824 3.960 -0.001 0.000 0.294 281 G HA3 -0.136 3.824 3.960 -0.001 0.000 0.294 281 G C 0.018 174.936 174.900 0.029 0.000 1.342 281 G CA 0.032 45.105 45.100 -0.045 0.000 0.866 281 G HN 0.649 nan 8.290 nan 0.000 0.534 282 Q N -1.291 118.519 119.800 0.017 0.000 2.112 282 Q HA 0.342 4.682 4.340 -0.001 0.000 0.222 282 Q C 0.719 176.767 176.000 0.081 0.000 0.798 282 Q CA -0.010 55.834 55.803 0.068 0.000 1.060 282 Q CB 0.683 29.458 28.738 0.062 0.000 1.184 282 Q HN 0.797 nan 8.270 nan 0.000 0.475 283 V N 2.718 122.656 119.914 0.041 0.000 2.644 283 V HA -0.062 4.058 4.120 -0.001 0.000 0.305 283 V C 0.476 176.649 176.094 0.132 0.000 1.053 283 V CA 0.969 63.294 62.300 0.042 0.000 1.186 283 V CB 0.002 31.814 31.823 -0.019 0.000 0.895 283 V HN 0.237 nan 8.190 nan 0.000 0.490 284 E N 3.617 123.848 120.200 0.052 0.000 2.277 284 E HA 0.215 4.565 4.350 -0.001 0.000 0.266 284 E C -0.481 175.955 176.600 -0.274 0.000 0.901 284 E CA -0.823 55.514 56.400 -0.106 0.000 0.782 284 E CB 1.953 31.669 29.700 0.026 0.000 1.228 284 E HN 0.786 nan 8.360 nan 0.000 0.424 285 W N 3.630 124.320 121.300 -1.017 0.000 2.391 285 W HA -0.107 4.553 4.660 -0.000 0.000 0.339 285 W C -0.033 176.317 176.519 -0.282 0.000 1.252 285 W CA 0.884 57.849 57.345 -0.632 0.000 1.304 285 W CB 0.378 29.323 29.460 -0.859 0.000 1.179 285 W HN 0.679 nan 8.180 nan 0.000 0.567 286 N N 3.615 121.901 118.700 -0.690 0.000 2.197 286 N HA 0.202 4.942 4.740 -0.001 0.000 0.228 286 N C 0.180 175.258 175.510 -0.720 0.000 1.212 286 N CA 0.085 52.811 53.050 -0.540 0.000 0.883 286 N CB 0.249 38.526 38.487 -0.350 0.000 1.107 286 N HN 0.284 nan 8.380 nan 0.000 0.519 287 G N -0.302 107.645 108.800 -1.422 0.000 2.695 287 G HA2 0.384 4.344 3.960 -0.001 0.000 0.213 287 G HA3 0.384 4.344 3.960 -0.001 0.000 0.213 287 G C -0.615 174.176 174.900 -0.182 0.000 1.406 287 G CA -0.636 43.980 45.100 -0.806 0.000 1.049 287 G HN 0.142 nan 8.290 nan 0.000 0.573 288 S N -0.454 115.355 115.700 0.181 0.000 2.546 288 S HA 0.114 4.584 4.470 -0.001 0.000 0.290 288 S C -0.282 174.580 174.600 0.437 0.000 1.290 288 S CA 0.659 58.937 58.200 0.130 0.000 1.069 288 S CB -0.330 62.945 63.200 0.125 0.000 0.846 288 S HN 0.592 nan 8.310 nan 0.000 0.495 289 W N 0.351 121.668 121.300 0.030 0.000 2.046 289 W HA -0.289 4.371 4.660 -0.000 0.000 0.263 289 W C 0.913 177.695 176.519 0.439 0.000 1.048 289 W CA 0.499 57.804 57.345 -0.066 0.000 0.474 289 W CB -2.684 26.704 29.460 -0.119 0.000 2.069 289 W HN 0.742 nan 8.180 nan 0.000 1.264 290 S N 0.009 116.058 115.700 0.582 0.000 2.606 290 S HA 0.176 4.645 4.470 -0.001 0.000 0.257 290 S C 1.117 176.077 174.600 0.601 0.000 1.327 290 S CA 0.399 58.947 58.200 0.581 0.000 0.984 290 S CB 0.985 64.324 63.200 0.230 0.000 0.941 290 S HN 0.056 nan 8.310 nan 0.000 0.576 291 D N 0.810 121.515 120.400 0.508 0.000 2.116 291 D HA -0.057 4.583 4.640 -0.001 0.000 0.193 291 D C 1.544 178.103 176.300 0.432 0.000 0.998 291 D CA 1.795 56.097 54.000 0.504 0.000 0.836 291 D CB -0.400 40.584 40.800 0.306 0.000 0.951 291 D HN 0.530 nan 8.370 nan 0.000 0.449 292 S N -0.461 115.407 115.700 0.279 0.000 2.572 292 S HA 0.093 4.563 4.470 -0.001 0.000 0.228 292 S C 0.429 175.132 174.600 0.172 0.000 0.963 292 S CA -0.318 57.999 58.200 0.194 0.000 0.939 292 S CB 0.199 63.459 63.200 0.101 0.000 0.804 292 S HN 0.279 nan 8.310 nan 0.000 0.480 293 S N 2.606 118.436 115.700 0.216 0.000 2.585 293 S HA 0.204 4.674 4.470 -0.001 0.000 0.273 293 S C -1.558 173.051 174.600 0.013 0.000 1.339 293 S CA -0.892 57.343 58.200 0.058 0.000 1.028 293 S CB 0.494 63.676 63.200 -0.030 0.000 0.906 293 S HN 0.088 nan 8.310 nan 0.000 0.528 294 P HA -0.030 nan 4.420 nan 0.000 0.226 294 P C 0.748 177.954 177.300 -0.157 0.000 1.153 294 P CA 0.865 63.926 63.100 -0.066 0.000 0.777 294 P CB 0.054 31.717 31.700 -0.060 0.000 0.794 295 E N -0.306 119.612 120.200 -0.469 0.000 2.085 295 E HA -0.172 4.178 4.350 -0.001 0.000 0.194 295 E C 1.903 178.129 176.600 -0.623 0.000 0.994 295 E CA 1.516 57.340 56.400 -0.959 0.000 0.801 295 E CB -0.972 27.236 29.700 -2.486 0.000 0.743 295 E HN 0.401 nan 8.360 nan 0.000 0.453 296 W N 0.576 121.729 121.300 -0.244 0.000 2.358 296 W HA -0.100 4.560 4.660 -0.001 0.000 0.303 296 W C 2.449 178.994 176.519 0.043 0.000 1.208 296 W CA 0.639 57.979 57.345 -0.008 0.000 1.274 296 W CB -0.082 29.422 29.460 0.072 0.000 1.138 296 W HN -0.029 nan 8.180 nan 0.000 0.515 297 R N -0.234 120.405 120.500 0.231 0.000 2.092 297 R HA -0.138 4.202 4.340 -0.001 0.000 0.231 297 R C 2.430 178.802 176.300 0.120 0.000 1.119 297 R CA 1.520 57.713 56.100 0.155 0.000 0.970 297 R CB -0.703 29.658 30.300 0.101 0.000 0.864 297 R HN 0.032 nan 8.270 nan 0.000 0.440 298 S N 0.157 115.917 115.700 0.100 0.000 2.402 298 S HA -0.036 4.434 4.470 -0.001 0.000 0.229 298 S C 0.864 175.545 174.600 0.136 0.000 1.021 298 S CA 0.397 58.659 58.200 0.103 0.000 0.974 298 S CB 0.068 63.363 63.200 0.160 0.000 0.800 298 S HN 0.078 nan 8.310 nan 0.000 0.484 299 V N 1.805 121.840 119.914 0.202 0.000 2.732 299 V HA 0.578 4.698 4.120 -0.001 0.000 0.297 299 V C 1.063 177.263 176.094 0.177 0.000 1.060 299 V CA -0.242 62.197 62.300 0.232 0.000 1.038 299 V CB 0.596 32.609 31.823 0.318 0.000 1.003 299 V HN 0.480 nan 8.190 nan 0.000 0.481 300 G N 7.029 115.909 108.800 0.134 0.000 2.349 300 G HA2 0.048 4.008 3.960 -0.001 0.000 0.232 300 G HA3 0.048 4.008 3.960 -0.001 0.000 0.232 300 G C -1.191 173.772 174.900 0.103 0.000 1.240 300 G CA 0.030 45.188 45.100 0.097 0.000 0.870 300 G HN 0.708 nan 8.290 nan 0.000 0.528 301 P HA -0.216 nan 4.420 nan 0.000 0.216 301 P C 1.967 179.310 177.300 0.072 0.000 1.153 301 P CA 2.021 65.166 63.100 0.074 0.000 0.858 301 P CB 0.107 31.838 31.700 0.052 0.000 0.789 302 A N 0.673 123.529 122.820 0.060 0.000 1.858 302 A HA -0.211 4.108 4.320 -0.001 0.000 0.216 302 A C 2.286 179.908 177.584 0.064 0.000 1.190 302 A CA 1.818 53.886 52.037 0.051 0.000 0.617 302 A CB -1.537 17.487 19.000 0.039 0.000 0.827 302 A HN 0.158 nan 8.150 nan 0.000 0.443 303 E N -0.274 119.976 120.200 0.083 0.000 2.273 303 E HA -0.260 4.090 4.350 -0.001 0.000 0.198 303 E C 2.210 178.893 176.600 0.138 0.000 1.002 303 E CA 1.416 57.874 56.400 0.097 0.000 0.828 303 E CB -0.171 29.592 29.700 0.106 0.000 0.747 303 E HN 0.803 nan 8.360 nan 0.000 0.491 304 Q N 0.253 120.153 119.800 0.166 0.000 2.119 304 Q HA -0.119 4.220 4.340 -0.001 0.000 0.201 304 Q C 1.994 178.009 176.000 0.026 0.000 0.972 304 Q CA 0.926 56.809 55.803 0.133 0.000 0.847 304 Q CB -0.037 28.797 28.738 0.161 0.000 0.903 304 Q HN 0.055 nan 8.270 nan 0.000 0.433 305 K N 0.776 121.197 120.400 0.035 0.000 2.116 305 K HA -0.043 4.277 4.320 -0.001 0.000 0.203 305 K C 2.152 178.767 176.600 0.026 0.000 1.052 305 K CA 0.393 56.691 56.287 0.018 0.000 0.952 305 K CB 0.013 32.524 32.500 0.018 0.000 0.729 305 K HN 0.068 nan 8.250 nan 0.000 0.446 306 R N 1.071 121.590 120.500 0.032 0.000 2.096 306 R HA -0.121 4.219 4.340 -0.001 0.000 0.240 306 R C 1.783 178.103 176.300 0.034 0.000 1.139 306 R CA 1.412 57.529 56.100 0.028 0.000 0.952 306 R CB -0.159 30.155 30.300 0.023 0.000 0.854 306 R HN 0.129 nan 8.270 nan 0.000 0.436 307 L N -0.108 121.126 121.223 0.018 0.000 2.592 307 L HA 0.096 4.435 4.340 -0.001 0.000 0.227 307 L C 0.360 177.317 176.870 0.145 0.000 1.127 307 L CA -0.315 54.542 54.840 0.029 0.000 0.884 307 L CB 0.099 42.017 42.059 -0.235 0.000 1.065 307 L HN 0.369 nan 8.230 nan 0.000 0.457 308 C N 0.516 119.862 119.300 0.077 0.000 4.350 308 C HA -0.215 4.245 4.460 -0.001 0.000 0.302 308 C C 0.864 175.898 174.990 0.073 0.000 1.390 308 C CA 0.062 59.122 59.018 0.071 0.000 2.016 308 C CB -3.193 24.603 27.740 0.093 0.000 1.271 308 C HN 0.599 nan 8.230 nan 0.000 0.760 309 H N 0.198 119.174 119.070 -0.156 0.000 2.502 309 H HA 0.642 5.198 4.556 -0.001 0.000 0.327 309 H C 0.143 175.323 175.328 -0.247 0.000 1.099 309 H CA 1.327 57.195 56.048 -0.299 0.000 1.323 309 H CB 1.213 30.393 29.762 -0.970 0.000 1.450 309 H HN 0.472 nan 8.280 nan 0.000 0.502 310 T N 3.060 117.074 114.554 -0.900 0.000 2.923 310 T HA 0.622 4.972 4.350 -0.001 0.000 0.311 310 T C -1.295 173.006 174.700 -0.666 0.000 1.183 310 T CA -0.354 61.353 62.100 -0.655 0.000 1.020 310 T CB 0.610 69.315 68.868 -0.271 0.000 1.165 310 T HN 0.831 nan 8.240 nan 0.000 0.482 311 A N 4.514 127.102 122.820 -0.386 0.000 2.343 311 A HA 0.724 5.044 4.320 -0.001 0.000 0.305 311 A C -0.652 176.891 177.584 -0.068 0.000 1.308 311 A CA -0.266 51.678 52.037 -0.154 0.000 0.949 311 A CB -0.654 18.321 19.000 -0.042 0.000 1.148 311 A HN 0.767 nan 8.150 nan 0.000 0.545 312 L N 1.602 122.813 121.223 -0.020 0.000 2.409 312 L HA 0.370 4.710 4.340 -0.001 0.000 0.262 312 L C -0.959 175.941 176.870 0.050 0.000 0.992 312 L CA -1.014 53.830 54.840 0.006 0.000 0.817 312 L CB 2.376 44.429 42.059 -0.009 0.000 1.350 312 L HN 0.407 nan 8.230 nan 0.000 0.411 313 D N 1.468 121.895 120.400 0.045 0.000 2.671 313 D HA 0.073 4.713 4.640 -0.001 0.000 0.228 313 D C 0.295 176.632 176.300 0.062 0.000 1.102 313 D CA 0.173 54.209 54.000 0.060 0.000 1.044 313 D CB 0.138 40.963 40.800 0.040 0.000 1.113 313 D HN 0.467 nan 8.370 nan 0.000 0.480 314 D N -1.148 119.300 120.400 0.079 0.000 2.398 314 D HA 0.134 4.774 4.640 -0.001 0.000 0.210 314 D C 1.590 177.943 176.300 0.089 0.000 1.094 314 D CA -0.077 53.962 54.000 0.065 0.000 0.839 314 D CB 0.099 40.924 40.800 0.042 0.000 0.963 314 D HN 0.228 nan 8.370 nan 0.000 0.506 315 G N 0.360 109.250 108.800 0.150 0.000 2.179 315 G HA2 -0.330 3.630 3.960 -0.001 0.000 0.260 315 G HA3 -0.330 3.630 3.960 -0.001 0.000 0.260 315 G C 0.038 175.093 174.900 0.259 0.000 0.977 315 G CA 0.387 45.616 45.100 0.215 0.000 0.641 315 G HN 0.594 nan 8.290 nan 0.000 0.533 316 E N -0.201 120.107 120.200 0.180 0.000 2.191 316 E HA 0.736 5.085 4.350 -0.001 0.000 0.274 316 E C -0.119 176.608 176.600 0.211 0.000 0.948 316 E CA -1.142 55.272 56.400 0.022 0.000 0.802 316 E CB 0.809 30.460 29.700 -0.082 0.000 1.137 316 E HN 0.695 nan 8.360 nan 0.000 0.397 317 F N 0.282 120.251 119.950 0.032 0.000 2.741 317 F HA 0.565 5.092 4.527 -0.001 0.000 0.311 317 F C -1.785 174.019 175.800 0.007 0.000 1.149 317 F CA -1.393 56.710 58.000 0.171 0.000 0.930 317 F CB 0.532 39.721 39.000 0.316 0.000 1.312 317 F HN 0.316 nan 8.300 nan 0.000 0.450 318 W N 2.186 123.770 121.300 0.474 0.000 2.448 318 W HA 0.813 5.473 4.660 -0.001 0.000 0.339 318 W C -0.521 176.207 176.519 0.349 0.000 1.124 318 W CA -0.583 56.953 57.345 0.318 0.000 1.262 318 W CB 1.652 31.360 29.460 0.414 0.000 1.251 318 W HN 0.446 nan 8.180 nan 0.000 0.597 319 M N 2.103 121.886 119.600 0.306 0.000 2.593 319 M HA 0.592 5.072 4.480 -0.001 0.000 0.290 319 M C -0.228 176.088 176.300 0.027 0.000 1.244 319 M CA -1.239 54.120 55.300 0.097 0.000 0.857 319 M CB 1.810 34.218 32.600 -0.321 0.000 1.738 319 M HN 0.424 nan 8.290 nan 0.000 0.461 320 A N 0.750 123.598 122.820 0.047 0.000 2.511 320 A HA 0.162 4.482 4.320 -0.001 0.000 0.242 320 A C 0.493 178.147 177.584 0.116 0.000 1.069 320 A CA -0.087 51.938 52.037 -0.021 0.000 0.763 320 A CB -0.197 18.878 19.000 0.125 0.000 1.001 320 A HN 0.888 nan 8.150 nan 0.000 0.498 321 F N 2.576 122.511 119.950 -0.026 0.000 2.202 321 F HA -0.220 4.306 4.527 -0.001 0.000 0.301 321 F C 2.232 178.137 175.800 0.175 0.000 1.082 321 F CA 2.456 60.492 58.000 0.061 0.000 1.313 321 F CB -0.087 38.942 39.000 0.048 0.000 1.024 321 F HN 0.780 nan 8.300 nan 0.000 0.495 322 K N -0.661 119.787 120.400 0.081 0.000 2.097 322 K HA -0.154 4.166 4.320 -0.001 0.000 0.205 322 K C 1.605 178.225 176.600 0.034 0.000 1.050 322 K CA 1.866 58.157 56.287 0.006 0.000 0.938 322 K CB -0.587 31.954 32.500 0.068 0.000 0.718 322 K HN 0.113 nan 8.250 nan 0.000 0.442 323 D N 0.531 120.985 120.400 0.090 0.000 2.117 323 D HA -0.121 4.519 4.640 -0.001 0.000 0.198 323 D C 1.601 177.927 176.300 0.044 0.000 0.982 323 D CA 0.744 54.804 54.000 0.100 0.000 0.828 323 D CB -0.362 40.488 40.800 0.083 0.000 0.967 323 D HN 0.205 nan 8.370 nan 0.000 0.464 324 F N 2.300 122.173 119.950 -0.127 0.000 2.043 324 F HA -0.286 4.241 4.527 -0.001 0.000 0.297 324 F C 1.975 177.791 175.800 0.026 0.000 1.118 324 F CA 1.831 59.802 58.000 -0.048 0.000 1.202 324 F CB -0.103 38.838 39.000 -0.098 0.000 0.965 324 F HN -0.157 nan 8.300 nan 0.000 0.482 325 K N -0.035 120.258 120.400 -0.178 0.000 2.209 325 K HA -0.081 4.239 4.320 -0.001 0.000 0.204 325 K C 2.229 178.728 176.600 -0.169 0.000 1.048 325 K CA 1.023 57.165 56.287 -0.242 0.000 0.940 325 K CB -0.474 31.912 32.500 -0.191 0.000 0.729 325 K HN 0.409 nan 8.250 nan 0.000 0.451 326 A N 0.871 123.629 122.820 -0.103 0.000 1.930 326 A HA -0.116 4.203 4.320 -0.001 0.000 0.215 326 A C 1.707 179.159 177.584 -0.220 0.000 1.176 326 A CA 1.033 52.994 52.037 -0.127 0.000 0.632 326 A CB -0.381 18.568 19.000 -0.085 0.000 0.819 326 A HN 0.278 nan 8.150 nan 0.000 0.445 327 H N -2.707 116.221 119.070 -0.237 0.000 2.486 327 H HA 0.198 4.754 4.556 -0.001 0.000 0.287 327 H C -0.206 174.858 175.328 -0.439 0.000 1.010 327 H CA 0.187 56.045 56.048 -0.317 0.000 1.324 327 H CB 0.150 29.701 29.762 -0.352 0.000 1.446 327 H HN 0.449 nan 8.280 nan 0.000 0.537 328 F N 1.071 120.844 119.950 -0.295 0.000 2.378 328 F HA 0.089 4.616 4.527 -0.001 0.000 0.325 328 F C 1.305 176.961 175.800 -0.238 0.000 1.097 328 F CA -0.403 57.399 58.000 -0.331 0.000 1.079 328 F CB 1.139 39.738 39.000 -0.668 0.000 1.240 328 F HN -0.067 nan 8.300 nan 0.000 0.519 329 D N -0.021 120.443 120.400 0.106 0.000 2.431 329 D HA 0.074 4.714 4.640 -0.001 0.000 0.227 329 D C 0.104 176.490 176.300 0.142 0.000 1.030 329 D CA 0.876 54.927 54.000 0.085 0.000 0.897 329 D CB 0.501 41.356 40.800 0.091 0.000 1.058 329 D HN 0.254 nan 8.370 nan 0.000 0.500 330 K N 0.831 121.388 120.400 0.262 0.000 2.464 330 K HA 0.552 4.872 4.320 -0.001 0.000 0.253 330 K C -0.881 175.978 176.600 0.432 0.000 0.933 330 K CA -0.730 55.762 56.287 0.341 0.000 0.801 330 K CB 3.420 36.150 32.500 0.383 0.000 1.271 330 K HN -0.241 nan 8.250 nan 0.000 0.430 331 V N 1.596 121.803 119.914 0.488 0.000 2.604 331 V HA 0.364 4.484 4.120 -0.001 0.000 0.305 331 V C -0.498 175.927 176.094 0.551 0.000 1.043 331 V CA -0.828 61.783 62.300 0.519 0.000 0.888 331 V CB 2.007 34.186 31.823 0.593 0.000 0.995 331 V HN 0.647 nan 8.190 nan 0.000 0.429 332 E N 4.230 124.713 120.200 0.471 0.000 2.165 332 E HA 0.577 4.927 4.350 -0.001 0.000 0.266 332 E C -1.269 175.523 176.600 0.319 0.000 0.889 332 E CA -0.427 56.214 56.400 0.403 0.000 0.756 332 E CB 2.292 32.249 29.700 0.428 0.000 1.131 332 E HN 0.543 nan 8.360 nan 0.000 0.411 333 I N 2.634 123.396 120.570 0.320 0.000 2.362 333 I HA 0.232 4.402 4.170 -0.001 0.000 0.289 333 I C -0.400 175.809 176.117 0.153 0.000 0.994 333 I CA -0.833 60.608 61.300 0.235 0.000 1.158 333 I CB 1.360 39.535 38.000 0.292 0.000 1.315 333 I HN 0.521 nan 8.210 nan 0.000 0.451 334 C N 6.450 125.808 119.300 0.097 0.000 2.250 334 C HA 0.428 4.888 4.460 -0.001 0.000 0.319 334 C C 0.022 175.033 174.990 0.035 0.000 1.124 334 C CA -0.807 58.241 59.018 0.049 0.000 1.527 334 C CB -1.390 26.359 27.740 0.015 0.000 2.001 334 C HN 0.774 nan 8.230 nan 0.000 0.435 335 N N 4.236 122.958 118.700 0.036 0.000 2.442 335 N HA 0.338 5.078 4.740 -0.001 0.000 0.265 335 N C -0.559 174.958 175.510 0.011 0.000 1.138 335 N CA 0.017 53.082 53.050 0.025 0.000 0.956 335 N CB 0.732 39.237 38.487 0.031 0.000 1.067 335 N HN 0.641 nan 8.380 nan 0.000 0.474 336 L N 3.289 124.517 121.223 0.008 0.000 2.356 336 L HA 0.236 4.576 4.340 -0.001 0.000 0.282 336 L C 0.468 177.340 176.870 0.002 0.000 1.132 336 L CA -0.471 54.372 54.840 0.005 0.000 0.923 336 L CB -0.960 41.103 42.059 0.007 0.000 1.278 336 L HN 0.671 nan 8.230 nan 0.000 0.436 337 T N 0.000 114.553 114.554 -0.001 0.000 3.816 337 T HA 0.000 4.350 4.350 -0.001 0.000 0.228 337 T CA 0.000 62.098 62.100 -0.004 0.000 1.349 337 T CB 0.000 68.864 68.868 -0.006 0.000 0.612 337 T HN 0.000 nan 8.240 nan 0.000 0.658