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 2bgn_1_C DATA FIRST_RESID 39 DATA SEQUENCE SRKTYTLTDY LKNTYRLKLY SLRWISDHEY LYKQENNILV FNAEYGNSSV DATA SEQUENCE FLENSTFDEF GHSINDYSIS PDGQFILLEY NYVKQWRHSY TASYDIYDLN DATA SEQUENCE KRQLITEERI PNNTQWVTWS PVGHKLAYVW NNDIYVKIEP NLPSYRITWT DATA SEQUENCE GKEDIIYNGI TDWVYEEEVF SAYSALWWSP NGTFLAYAQF NDTEVPLIEY DATA SEQUENCE SFYSDESLQY PKTVRVPYPK AGAVNPTVKF FVVNTDSLSS VTNATSIQIT DATA SEQUENCE APASMLIGDH YLCDVTWATQ ERISLQWLRR IQNYSVMDIc DYDESSGRWN DATA SEQUENCE cLVARQHIEM STTGWVGRFR PSEPHFTLDG NSFYKIISNE EGYRHIcYFQ DATA SEQUENCE IDKKDcTFIT KGTWEVIGIE ALTSDYLYYI SNEYKGMPGG RNLYKIQLSD DATA SEQUENCE YTKVTCLSCE LNPERcQYYS VSFSKEAKYY QLRcSGPGLP LYTLHSSVND DATA SEQUENCE KGLRVLEDNS ALDKMLQNVQ MPSKKLDFII LNETKFWYQM ILPPHFDKSK DATA SEQUENCE KYPLLLDVYA GPCSQKADTV FRLNWATYLA STENIIVASF DGRGSGYQGD DATA SEQUENCE KIMHAINRRL GTFEVEDQIE AARQFSKMGF VDNKRIAIWG WSYGGYVTSM DATA SEQUENCE VLGSGSGVFK cGIAVAPVSR WEYYDSVYTE RYMGLPTPED NLDHYRNSTV DATA SEQUENCE MSRAENFKQV EYLLIHGTAD DNVHFQQSAQ ISKALVDVGV DFQAMWYTDE DATA SEQUENCE DHGIASSTAH QHIYTHMSHF IKQcFSLP 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 39 S HA 0.000 nan 4.470 nan 0.000 0.327 39 S C 0.000 174.646 174.600 0.076 0.000 1.055 39 S CA 0.000 58.247 58.200 0.078 0.000 1.107 39 S CB 0.000 63.267 63.200 0.111 0.000 0.593 40 R N 2.236 122.791 120.500 0.090 0.000 1.364 40 R HA 0.649 4.989 4.340 0.000 0.000 0.097 40 R C -0.173 176.176 176.300 0.081 0.000 0.962 40 R CA -0.360 55.786 56.100 0.077 0.000 1.960 40 R CB -0.110 30.234 30.300 0.074 0.000 1.053 40 R HN 0.676 nan 8.270 nan 0.000 0.714 41 K N 0.077 120.529 120.400 0.086 0.000 2.258 41 K HA 0.487 4.807 4.320 0.000 0.000 0.236 41 K C -0.765 175.898 176.600 0.104 0.000 1.008 41 K CA -0.937 55.407 56.287 0.095 0.000 0.869 41 K CB 1.756 34.317 32.500 0.102 0.000 1.171 41 K HN 0.526 nan 8.250 nan 0.000 0.447 42 T N -2.484 112.139 114.554 0.116 0.000 2.923 42 T HA 0.207 4.557 4.350 0.000 0.000 0.281 42 T C -0.716 174.105 174.700 0.201 0.000 0.995 42 T CA -0.729 61.452 62.100 0.134 0.000 0.985 42 T CB 0.474 69.412 68.868 0.116 0.000 1.114 42 T HN 0.516 nan 8.240 nan 0.000 0.548 43 Y N 2.599 122.957 120.300 0.096 0.000 2.584 43 Y HA 0.360 4.910 4.550 0.000 0.000 0.351 43 Y C 0.998 177.058 175.900 0.266 0.000 1.030 43 Y CA -0.242 57.957 58.100 0.165 0.000 1.332 43 Y CB -0.296 38.219 38.460 0.091 0.000 1.148 43 Y HN 0.992 nan 8.280 nan 0.000 0.528 44 T N 2.222 116.805 114.554 0.047 0.000 2.862 44 T HA 0.141 4.491 4.350 0.000 0.000 0.276 44 T C 0.937 175.644 174.700 0.012 0.000 0.974 44 T CA -0.824 61.375 62.100 0.166 0.000 0.966 44 T CB 1.234 70.152 68.868 0.084 0.000 1.072 44 T HN 0.628 nan 8.240 nan 0.000 0.538 45 L N 0.942 122.060 121.223 -0.174 0.000 2.083 45 L HA 0.028 4.368 4.340 0.000 0.000 0.209 45 L C 2.609 179.376 176.870 -0.171 0.000 1.083 45 L CA 2.087 56.644 54.840 -0.472 0.000 0.752 45 L CB -1.530 40.147 42.059 -0.636 0.000 0.899 45 L HN 0.962 nan 8.230 nan 0.000 0.433 46 T N -0.639 113.839 114.554 -0.126 0.000 2.788 46 T HA -0.147 4.203 4.350 0.000 0.000 0.268 46 T C 1.451 176.078 174.700 -0.121 0.000 1.044 46 T CA 1.348 63.385 62.100 -0.104 0.000 1.139 46 T CB -0.339 68.485 68.868 -0.073 0.000 0.867 46 T HN 0.378 nan 8.240 nan 0.000 0.454 47 D N 0.125 120.420 120.400 -0.175 0.000 2.149 47 D HA -0.103 4.537 4.640 0.000 0.000 0.198 47 D C 1.661 177.869 176.300 -0.153 0.000 0.990 47 D CA 1.033 54.879 54.000 -0.257 0.000 0.839 47 D CB -0.245 40.272 40.800 -0.472 0.000 0.948 47 D HN 0.416 nan 8.370 nan 0.000 0.460 48 Y N 1.222 121.371 120.300 -0.250 0.000 2.153 48 Y HA -0.005 4.545 4.550 0.000 0.000 0.289 48 Y C 2.186 178.099 175.900 0.021 0.000 1.119 48 Y CA 1.019 59.129 58.100 0.017 0.000 1.116 48 Y CB -0.680 37.848 38.460 0.113 0.000 1.004 48 Y HN -0.134 nan 8.280 nan 0.000 0.501 49 L N 0.013 121.084 121.223 -0.252 0.000 2.056 49 L HA -0.162 4.178 4.340 0.000 0.000 0.207 49 L C 2.250 179.024 176.870 -0.159 0.000 1.078 49 L CA 1.351 55.986 54.840 -0.341 0.000 0.749 49 L CB -0.483 41.423 42.059 -0.254 0.000 0.901 49 L HN 0.054 nan 8.230 nan 0.000 0.433 50 K N -0.025 120.310 120.400 -0.109 0.000 2.400 50 K HA -0.019 4.301 4.320 0.000 0.000 0.194 50 K C 0.353 176.918 176.600 -0.059 0.000 1.033 50 K CA 0.149 56.391 56.287 -0.074 0.000 1.021 50 K CB -0.332 32.123 32.500 -0.075 0.000 0.808 50 K HN 0.356 nan 8.250 nan 0.000 0.505 51 N N 1.246 119.922 118.700 -0.041 0.000 2.780 51 N HA -0.182 4.558 4.740 0.000 0.000 0.247 51 N C 0.402 175.901 175.510 -0.019 0.000 1.076 51 N CA 0.460 53.522 53.050 0.019 0.000 0.688 51 N CB -0.764 37.735 38.487 0.021 0.000 0.957 51 N HN 0.282 nan 8.380 nan 0.000 0.551 52 T N -2.745 111.736 114.554 -0.123 0.000 2.951 52 T HA -0.091 4.260 4.350 0.000 0.000 0.268 52 T C 0.561 175.025 174.700 -0.393 0.000 1.073 52 T CA 1.048 62.962 62.100 -0.308 0.000 1.134 52 T CB -0.182 68.402 68.868 -0.474 0.000 0.884 52 T HN 0.358 nan 8.240 nan 0.000 0.479 53 Y N 1.902 122.285 120.300 0.137 0.000 2.593 53 Y HA 0.565 5.115 4.550 0.000 0.000 0.331 53 Y C 0.534 176.538 175.900 0.175 0.000 0.986 53 Y CA -1.636 56.571 58.100 0.179 0.000 1.262 53 Y CB 0.483 39.107 38.460 0.273 0.000 1.098 53 Y HN 0.013 nan 8.280 nan 0.000 0.506 54 R N 2.987 123.626 120.500 0.231 0.000 2.308 54 R HA 0.509 4.849 4.340 0.000 0.000 0.305 54 R C -0.922 175.492 176.300 0.190 0.000 1.053 54 R CA -0.456 55.752 56.100 0.178 0.000 0.957 54 R CB 0.617 30.983 30.300 0.111 0.000 1.022 54 R HN 0.668 nan 8.270 nan 0.000 0.461 55 L N 4.207 125.542 121.223 0.186 0.000 2.371 55 L HA 0.308 4.648 4.340 0.000 0.000 0.272 55 L C 0.359 177.318 176.870 0.148 0.000 1.124 55 L CA -0.139 54.809 54.840 0.181 0.000 0.816 55 L CB 1.092 43.273 42.059 0.203 0.000 1.129 55 L HN 0.479 nan 8.230 nan 0.000 0.448 56 K N 3.627 124.114 120.400 0.145 0.000 2.110 56 K HA 0.629 4.949 4.320 0.000 0.000 0.263 56 K C -0.682 175.988 176.600 0.117 0.000 0.975 56 K CA -0.610 55.745 56.287 0.114 0.000 0.895 56 K CB 1.828 34.387 32.500 0.098 0.000 1.060 56 K HN 0.413 nan 8.250 nan 0.000 0.448 57 L N 0.763 121.995 121.223 0.016 0.000 2.267 57 L HA 0.481 4.821 4.340 0.000 0.000 0.264 57 L C -0.776 175.855 176.870 -0.398 0.000 1.021 57 L CA -1.036 53.719 54.840 -0.142 0.000 0.861 57 L CB 0.716 42.767 42.059 -0.012 0.000 1.443 57 L HN 0.551 nan 8.230 nan 0.000 0.475 58 Y N 0.080 119.883 120.300 -0.829 0.000 2.516 58 Y HA 0.274 4.825 4.550 0.000 0.000 0.329 58 Y C -0.669 174.994 175.900 -0.394 0.000 1.095 58 Y CA -0.507 57.193 58.100 -0.667 0.000 1.213 58 Y CB 1.116 38.991 38.460 -0.974 0.000 1.109 58 Y HN 0.402 nan 8.280 nan 0.000 0.630 59 S N 5.165 120.722 115.700 -0.238 0.000 2.405 59 S HA 0.410 4.881 4.470 0.000 0.000 0.291 59 S C -0.456 174.041 174.600 -0.172 0.000 1.137 59 S CA -0.422 57.703 58.200 -0.126 0.000 1.061 59 S CB -0.408 62.771 63.200 -0.035 0.000 1.001 59 S HN 0.542 nan 8.310 nan 0.000 0.507 60 L N 1.289 122.346 121.223 -0.277 0.000 2.330 60 L HA 0.803 5.143 4.340 0.000 0.000 0.271 60 L C -0.136 176.586 176.870 -0.246 0.000 1.013 60 L CA -0.793 53.826 54.840 -0.369 0.000 0.816 60 L CB 0.899 42.392 42.059 -0.943 0.000 1.287 60 L HN 0.240 nan 8.230 nan 0.000 0.435 61 R N 1.761 122.178 120.500 -0.138 0.000 2.435 61 R HA 0.304 4.644 4.340 0.000 0.000 0.308 61 R C -1.756 174.555 176.300 0.018 0.000 0.975 61 R CA -0.567 55.529 56.100 -0.007 0.000 0.867 61 R CB 0.794 31.167 30.300 0.122 0.000 1.171 61 R HN 0.873 nan 8.270 nan 0.000 0.470 62 W N 5.135 126.510 121.300 0.126 0.000 2.264 62 W HA 0.053 4.713 4.660 0.000 0.000 0.331 62 W C 1.827 178.403 176.519 0.095 0.000 1.364 62 W CA -0.246 57.181 57.345 0.137 0.000 1.253 62 W CB 0.516 30.054 29.460 0.131 0.000 1.215 62 W HN 0.621 nan 8.180 nan 0.000 0.561 63 I N 0.149 120.917 120.570 0.330 0.000 4.187 63 I HA 0.263 4.433 4.170 0.000 0.000 0.326 63 I C 0.791 176.974 176.117 0.111 0.000 1.302 63 I CA 0.115 61.507 61.300 0.152 0.000 1.196 63 I CB 0.155 38.166 38.000 0.018 0.000 1.095 63 I HN 0.249 nan 8.210 nan 0.000 0.411 64 S N -0.648 115.134 115.700 0.136 0.000 2.973 64 S HA 0.346 4.816 4.470 0.000 0.000 0.317 64 S C 0.255 174.856 174.600 0.002 0.000 1.196 64 S CA -0.139 58.059 58.200 -0.004 0.000 0.894 64 S CB 1.039 64.121 63.200 -0.197 0.000 1.292 64 S HN 0.067 nan 8.310 nan 0.000 0.614 65 D N 0.472 120.813 120.400 -0.098 0.000 2.178 65 D HA -0.028 4.612 4.640 0.000 0.000 0.201 65 D C 1.197 177.591 176.300 0.155 0.000 0.980 65 D CA 2.178 56.191 54.000 0.022 0.000 0.842 65 D CB -0.194 40.682 40.800 0.127 0.000 0.948 65 D HN 0.814 nan 8.370 nan 0.000 0.472 66 H N -3.095 116.101 119.070 0.209 0.000 3.367 66 H HA 0.541 5.097 4.556 0.000 0.000 0.257 66 H C -0.274 175.145 175.328 0.152 0.000 1.201 66 H CA -0.581 55.549 56.048 0.138 0.000 1.102 66 H CB 0.051 29.889 29.762 0.127 0.000 1.656 66 H HN -0.128 nan 8.280 nan 0.000 0.662 67 E N 0.843 121.157 120.200 0.189 0.000 2.288 67 E HA 0.425 4.775 4.350 0.000 0.000 0.268 67 E C -1.518 175.253 176.600 0.286 0.000 0.885 67 E CA -1.416 55.083 56.400 0.165 0.000 0.767 67 E CB 2.494 32.216 29.700 0.036 0.000 1.220 67 E HN 0.340 nan 8.360 nan 0.000 0.427 68 Y N -0.076 120.232 120.300 0.014 0.000 2.644 68 Y HA 0.676 5.226 4.550 0.000 0.000 0.338 68 Y C -1.769 174.062 175.900 -0.114 0.000 1.119 68 Y CA -1.315 56.681 58.100 -0.174 0.000 1.060 68 Y CB 0.832 38.860 38.460 -0.720 0.000 1.294 68 Y HN 0.314 nan 8.280 nan 0.000 0.472 69 L N 2.560 123.861 121.223 0.131 0.000 2.334 69 L HA 0.577 4.917 4.340 0.000 0.000 0.273 69 L C -1.409 175.586 176.870 0.208 0.000 1.013 69 L CA -1.069 53.815 54.840 0.072 0.000 0.816 69 L CB 1.906 43.926 42.059 -0.066 0.000 1.278 69 L HN 0.778 nan 8.230 nan 0.000 0.431 70 Y N 1.932 122.230 120.300 -0.004 0.000 2.513 70 Y HA 0.442 4.992 4.550 0.000 0.000 0.340 70 Y C -0.757 175.103 175.900 -0.066 0.000 1.055 70 Y CA -1.440 56.585 58.100 -0.124 0.000 1.020 70 Y CB 1.729 39.996 38.460 -0.321 0.000 1.301 70 Y HN 0.478 nan 8.280 nan 0.000 0.453 71 K N 3.087 123.066 120.400 -0.701 0.000 2.144 71 K HA 0.435 4.755 4.320 0.000 0.000 0.270 71 K C -0.295 175.775 176.600 -0.883 0.000 1.005 71 K CA 0.085 56.033 56.287 -0.564 0.000 0.932 71 K CB 1.702 34.024 32.500 -0.298 0.000 1.021 71 K HN 0.814 nan 8.250 nan 0.000 0.462 72 Q N 1.499 121.048 119.800 -0.419 0.000 1.845 72 Q HA 0.231 4.571 4.340 0.000 0.000 0.152 72 Q C -0.498 175.417 176.000 -0.141 0.000 0.453 72 Q CA 0.360 55.995 55.803 -0.280 0.000 0.693 72 Q CB 0.690 29.366 28.738 -0.104 0.000 0.936 72 Q HN 0.703 nan 8.270 nan 0.000 0.323 73 E N 0.939 121.091 120.200 -0.079 0.000 2.511 73 E HA 0.298 4.648 4.350 0.000 0.000 0.214 73 E C -0.752 175.819 176.600 -0.049 0.000 1.062 73 E CA -0.105 56.267 56.400 -0.047 0.000 1.213 73 E CB 0.251 29.937 29.700 -0.022 0.000 1.214 73 E HN 0.361 nan 8.360 nan 0.000 0.441 74 N N 1.033 119.692 118.700 -0.069 0.000 2.869 74 N HA -0.131 4.609 4.740 0.000 0.000 0.249 74 N C -1.229 174.251 175.510 -0.049 0.000 1.104 74 N CA 0.631 53.650 53.050 -0.052 0.000 0.760 74 N CB -1.450 37.020 38.487 -0.029 0.000 1.108 74 N HN 0.324 nan 8.380 nan 0.000 0.555 75 N N 0.884 119.544 118.700 -0.067 0.000 2.354 75 N HA 0.481 5.221 4.740 0.000 0.000 0.287 75 N C 0.198 175.665 175.510 -0.072 0.000 1.016 75 N CA -0.674 52.344 53.050 -0.053 0.000 0.871 75 N CB 1.391 39.858 38.487 -0.033 0.000 1.299 75 N HN 0.187 nan 8.380 nan 0.000 0.482 76 I N 0.213 120.744 120.570 -0.065 0.000 2.396 76 I HA 0.350 4.520 4.170 0.000 0.000 0.289 76 I C -0.749 175.398 176.117 0.050 0.000 1.056 76 I CA -0.345 60.911 61.300 -0.072 0.000 1.365 76 I CB 0.067 37.957 38.000 -0.183 0.000 1.407 76 I HN 0.214 nan 8.210 nan 0.000 0.509 77 L N 6.648 127.918 121.223 0.078 0.000 2.330 77 L HA 0.667 5.007 4.340 0.000 0.000 0.271 77 L C -0.169 176.791 176.870 0.150 0.000 1.013 77 L CA -1.138 53.785 54.840 0.138 0.000 0.816 77 L CB 2.098 44.283 42.059 0.210 0.000 1.287 77 L HN 0.519 nan 8.230 nan 0.000 0.435 78 V N 1.737 121.689 119.914 0.063 0.000 2.459 78 V HA 0.516 4.636 4.120 0.000 0.000 0.295 78 V C -0.933 175.119 176.094 -0.071 0.000 1.029 78 V CA -0.187 62.103 62.300 -0.016 0.000 0.874 78 V CB 1.330 33.101 31.823 -0.087 0.000 0.985 78 V HN 0.497 nan 8.190 nan 0.000 0.438 79 F N 4.971 124.636 119.950 -0.475 0.000 2.458 79 F HA 0.489 5.016 4.527 0.000 0.000 0.330 79 F C 0.632 176.174 175.800 -0.430 0.000 1.082 79 F CA -0.608 57.068 58.000 -0.539 0.000 0.995 79 F CB 1.679 40.067 39.000 -1.020 0.000 1.170 79 F HN 0.490 nan 8.300 nan 0.000 0.478 80 N N 2.107 120.758 118.700 -0.081 0.000 2.420 80 N HA 0.199 4.939 4.740 0.000 0.000 0.249 80 N C 0.559 176.044 175.510 -0.042 0.000 1.033 80 N CA 0.115 53.162 53.050 -0.005 0.000 0.944 80 N CB 1.653 40.189 38.487 0.081 0.000 1.113 80 N HN 0.844 nan 8.380 nan 0.000 0.502 81 A N 3.861 126.620 122.820 -0.101 0.000 1.892 81 A HA -0.231 4.089 4.320 0.000 0.000 0.218 81 A C 1.935 179.321 177.584 -0.331 0.000 1.188 81 A CA 1.738 53.631 52.037 -0.241 0.000 0.631 81 A CB -0.443 18.138 19.000 -0.698 0.000 0.822 81 A HN 0.757 nan 8.150 nan 0.000 0.447 82 E N -0.846 119.106 120.200 -0.413 0.000 2.017 82 E HA -0.162 4.188 4.350 0.000 0.000 0.193 82 E C 1.659 178.004 176.600 -0.425 0.000 0.997 82 E CA 1.964 58.095 56.400 -0.449 0.000 0.804 82 E CB -0.456 28.760 29.700 -0.807 0.000 0.757 82 E HN 0.749 nan 8.360 nan 0.000 0.448 83 Y N -1.800 118.507 120.300 0.011 0.000 2.503 83 Y HA 0.267 4.817 4.550 0.000 0.000 0.278 83 Y C 1.735 177.639 175.900 0.006 0.000 1.111 83 Y CA 0.188 58.292 58.100 0.006 0.000 1.270 83 Y CB 0.619 39.072 38.460 -0.011 0.000 1.063 83 Y HN 0.283 nan 8.280 nan 0.000 0.548 84 G N 0.788 109.659 108.800 0.118 0.000 2.199 84 G HA2 -0.335 3.625 3.960 0.000 0.000 0.254 84 G HA3 -0.335 3.625 3.960 0.000 0.000 0.254 84 G C 0.098 175.024 174.900 0.042 0.000 0.982 84 G CA 0.210 45.388 45.100 0.130 0.000 0.632 84 G HN 0.464 nan 8.290 nan 0.000 0.529 85 N N 0.736 119.439 118.700 0.006 0.000 2.415 85 N HA 0.480 5.220 4.740 0.000 0.000 0.248 85 N C -0.091 175.241 175.510 -0.296 0.000 1.271 85 N CA 0.826 53.809 53.050 -0.112 0.000 0.913 85 N CB 1.283 39.737 38.487 -0.054 0.000 1.129 85 N HN 1.075 nan 8.380 nan 0.000 0.444 86 S N -0.989 114.470 115.700 -0.403 0.000 2.546 86 S HA 0.477 4.947 4.470 0.000 0.000 0.272 86 S C -0.994 173.421 174.600 -0.308 0.000 1.140 86 S CA -0.958 56.899 58.200 -0.573 0.000 0.920 86 S CB 1.139 63.556 63.200 -1.306 0.000 1.083 86 S HN 0.536 nan 8.310 nan 0.000 0.476 87 S N 1.417 116.998 115.700 -0.198 0.000 2.617 87 S HA 0.576 5.046 4.470 0.000 0.000 0.283 87 S C -0.096 174.478 174.600 -0.044 0.000 1.189 87 S CA -0.698 57.448 58.200 -0.089 0.000 1.036 87 S CB 1.315 64.500 63.200 -0.025 0.000 1.014 87 S HN 0.716 nan 8.310 nan 0.000 0.522 88 V N 3.627 123.529 119.914 -0.021 0.000 2.470 88 V HA 0.104 4.224 4.120 0.000 0.000 0.276 88 V C 0.455 176.588 176.094 0.066 0.000 1.040 88 V CA 0.365 62.672 62.300 0.011 0.000 1.008 88 V CB 0.181 31.991 31.823 -0.022 0.000 0.990 88 V HN 0.967 nan 8.190 nan 0.000 0.477 89 F N 5.324 125.237 119.950 -0.061 0.000 2.317 89 F HA 0.434 4.961 4.527 0.000 0.000 0.290 89 F C 0.486 176.251 175.800 -0.059 0.000 1.075 89 F CA 0.500 58.466 58.000 -0.057 0.000 1.380 89 F CB 0.618 39.581 39.000 -0.061 0.000 1.093 89 F HN 0.366 nan 8.300 nan 0.000 0.524 90 L N 0.563 121.757 121.223 -0.048 0.000 2.592 90 L HA 0.306 4.646 4.340 0.000 0.000 0.258 90 L C -1.524 175.304 176.870 -0.069 0.000 0.926 90 L CA -0.570 54.191 54.840 -0.133 0.000 0.885 90 L CB 1.807 43.786 42.059 -0.132 0.000 1.380 90 L HN -0.051 nan 8.230 nan 0.000 0.415 91 E N 1.911 122.053 120.200 -0.097 0.000 2.250 91 E HA 0.256 4.606 4.350 0.000 0.000 0.269 91 E C -0.109 176.459 176.600 -0.054 0.000 1.018 91 E CA -0.660 55.697 56.400 -0.072 0.000 0.873 91 E CB 0.826 30.476 29.700 -0.083 0.000 1.134 91 E HN 0.676 nan 8.360 nan 0.000 0.403 92 N N 0.831 119.511 118.700 -0.033 0.000 2.443 92 N HA -0.161 4.579 4.740 0.000 0.000 0.184 92 N C 1.134 176.633 175.510 -0.019 0.000 1.037 92 N CA 1.009 54.054 53.050 -0.009 0.000 0.896 92 N CB -0.417 38.063 38.487 -0.011 0.000 0.959 92 N HN 0.252 nan 8.380 nan 0.000 0.442 93 S N 0.519 116.187 115.700 -0.053 0.000 2.348 93 S HA -0.159 4.311 4.470 0.000 0.000 0.221 93 S C 1.882 176.409 174.600 -0.123 0.000 1.033 93 S CA 1.717 59.875 58.200 -0.070 0.000 1.010 93 S CB -1.216 61.937 63.200 -0.078 0.000 0.891 93 S HN 0.420 nan 8.310 nan 0.000 0.442 94 T N 1.909 116.326 114.554 -0.229 0.000 2.624 94 T HA -0.182 4.168 4.350 0.000 0.000 0.266 94 T C 0.847 175.194 174.700 -0.589 0.000 1.050 94 T CA 1.717 63.514 62.100 -0.505 0.000 1.163 94 T CB -0.572 67.796 68.868 -0.834 0.000 0.861 94 T HN 0.435 nan 8.240 nan 0.000 0.443 95 F N 1.022 120.930 119.950 -0.070 0.000 2.750 95 F HA 0.314 4.841 4.527 0.000 0.000 0.297 95 F C 1.245 177.059 175.800 0.023 0.000 1.138 95 F CA -1.035 56.954 58.000 -0.019 0.000 1.346 95 F CB -0.113 38.814 39.000 -0.123 0.000 0.965 95 F HN -0.026 nan 8.300 nan 0.000 0.514 96 D N 0.682 121.138 120.400 0.095 0.000 2.084 96 D HA -0.139 4.501 4.640 0.000 0.000 0.194 96 D C 0.693 177.041 176.300 0.081 0.000 0.990 96 D CA 1.419 55.459 54.000 0.067 0.000 0.826 96 D CB -0.026 40.784 40.800 0.016 0.000 0.971 96 D HN 0.269 nan 8.370 nan 0.000 0.453 97 E N -0.478 119.765 120.200 0.072 0.000 2.282 97 E HA 0.157 4.507 4.350 0.000 0.000 0.247 97 E C 0.038 176.708 176.600 0.118 0.000 1.113 97 E CA -0.305 56.127 56.400 0.053 0.000 1.095 97 E CB -0.101 29.601 29.700 0.004 0.000 1.328 97 E HN 0.140 nan 8.360 nan 0.000 0.463 98 F N 0.430 120.398 119.950 0.029 0.000 2.446 98 F HA 0.206 4.733 4.527 0.000 0.000 0.292 98 F C 1.739 177.465 175.800 -0.124 0.000 1.096 98 F CA 1.326 59.353 58.000 0.045 0.000 1.438 98 F CB 0.552 39.614 39.000 0.102 0.000 1.107 98 F HN 0.457 nan 8.300 nan 0.000 0.546 99 G N -0.688 108.027 108.800 -0.141 0.000 2.345 99 G HA2 -0.215 3.745 3.960 0.000 0.000 0.218 99 G HA3 -0.215 3.745 3.960 0.000 0.000 0.218 99 G C 0.209 174.835 174.900 -0.458 0.000 1.058 99 G CA 0.156 45.007 45.100 -0.415 0.000 0.632 99 G HN 0.459 nan 8.290 nan 0.000 0.508 100 H N 0.421 119.519 119.070 0.048 0.000 2.616 100 H HA 0.669 5.225 4.556 0.000 0.000 0.353 100 H C -0.167 175.220 175.328 0.098 0.000 1.170 100 H CA 0.141 56.212 56.048 0.039 0.000 1.212 100 H CB 1.580 31.216 29.762 -0.209 0.000 1.653 100 H HN 0.214 nan 8.280 nan 0.000 0.537 101 S N 1.697 117.504 115.700 0.179 0.000 2.448 101 S HA 0.208 4.678 4.470 0.000 0.000 0.279 101 S C 0.073 174.699 174.600 0.043 0.000 1.195 101 S CA -0.720 57.530 58.200 0.084 0.000 1.051 101 S CB -1.026 62.214 63.200 0.068 0.000 0.948 101 S HN 0.327 nan 8.310 nan 0.000 0.493 102 I N 6.056 126.584 120.570 -0.070 0.000 2.416 102 I HA 0.188 4.358 4.170 0.000 0.000 0.288 102 I C 1.718 177.769 176.117 -0.110 0.000 1.051 102 I CA -0.034 61.165 61.300 -0.168 0.000 1.375 102 I CB 0.688 38.460 38.000 -0.381 0.000 1.407 102 I HN 0.744 nan 8.210 nan 0.000 0.516 103 N N 3.490 122.132 118.700 -0.098 0.000 2.387 103 N HA -0.028 4.712 4.740 0.000 0.000 0.176 103 N C -0.206 175.214 175.510 -0.149 0.000 1.022 103 N CA 0.603 53.577 53.050 -0.127 0.000 0.883 103 N CB 0.563 38.974 38.487 -0.127 0.000 1.019 103 N HN 0.674 nan 8.380 nan 0.000 0.435 104 D N -1.096 119.224 120.400 -0.133 0.000 2.745 104 D HA 0.117 4.757 4.640 0.000 0.000 0.221 104 D C -1.171 175.083 176.300 -0.076 0.000 1.237 104 D CA -0.522 53.392 54.000 -0.143 0.000 0.781 104 D CB 0.823 41.528 40.800 -0.158 0.000 1.575 104 D HN 0.169 nan 8.370 nan 0.000 0.482 105 Y N 0.455 120.733 120.300 -0.036 0.000 2.418 105 Y HA 0.777 5.327 4.550 0.000 0.000 0.327 105 Y C -0.062 175.900 175.900 0.102 0.000 1.309 105 Y CA -0.784 57.318 58.100 0.003 0.000 1.423 105 Y CB 1.136 39.596 38.460 -0.001 0.000 1.423 105 Y HN 0.201 nan 8.280 nan 0.000 0.532 106 S N 0.939 116.930 115.700 0.484 0.000 2.546 106 S HA 0.387 4.857 4.470 0.000 0.000 0.303 106 S C -1.765 173.190 174.600 0.591 0.000 1.067 106 S CA -0.711 57.777 58.200 0.479 0.000 0.944 106 S CB -0.260 63.161 63.200 0.369 0.000 1.155 106 S HN 0.720 nan 8.310 nan 0.000 0.449 107 I N 4.604 125.419 120.570 0.407 0.000 2.339 107 I HA 0.346 4.516 4.170 0.000 0.000 0.290 107 I C 0.900 176.859 176.117 -0.263 0.000 0.994 107 I CA -0.704 60.695 61.300 0.165 0.000 1.191 107 I CB 1.895 39.986 38.000 0.151 0.000 1.343 107 I HN 0.809 nan 8.210 nan 0.000 0.458 108 S N 6.360 121.550 115.700 -0.850 0.000 2.558 108 S HA 0.060 4.530 4.470 0.000 0.000 0.293 108 S C -1.722 172.582 174.600 -0.494 0.000 1.292 108 S CA -0.728 56.634 58.200 -1.397 0.000 1.063 108 S CB 0.557 62.857 63.200 -1.500 0.000 0.831 108 S HN 0.430 nan 8.310 nan 0.000 0.499 109 P HA -0.190 nan 4.420 nan 0.000 0.217 109 P C 0.880 178.127 177.300 -0.088 0.000 1.158 109 P CA 1.839 64.858 63.100 -0.134 0.000 0.887 109 P CB -0.184 31.456 31.700 -0.100 0.000 0.792 110 D N -1.631 118.719 120.400 -0.082 0.000 2.332 110 D HA 0.039 4.679 4.640 0.000 0.000 0.244 110 D C 1.408 177.724 176.300 0.026 0.000 1.136 110 D CA 0.620 54.617 54.000 -0.005 0.000 0.884 110 D CB -1.335 39.490 40.800 0.043 0.000 0.906 110 D HN 0.263 nan 8.370 nan 0.000 0.520 111 G N 0.320 109.122 108.800 0.004 0.000 2.205 111 G HA2 -0.464 3.496 3.960 0.000 0.000 0.269 111 G HA3 -0.464 3.496 3.960 0.000 0.000 0.269 111 G C 1.081 176.036 174.900 0.092 0.000 0.977 111 G CA 0.800 45.956 45.100 0.092 0.000 0.652 111 G HN 0.493 nan 8.290 nan 0.000 0.539 112 Q N -1.415 118.390 119.800 0.008 0.000 2.212 112 Q HA 0.340 4.680 4.340 0.000 0.000 0.199 112 Q C 0.454 176.162 176.000 -0.487 0.000 0.950 112 Q CA 0.675 56.349 55.803 -0.214 0.000 0.863 112 Q CB 0.209 28.817 28.738 -0.217 0.000 0.944 112 Q HN 0.594 nan 8.270 nan 0.000 0.465 113 F N -0.729 119.204 119.950 -0.028 0.000 2.611 113 F HA 0.517 5.044 4.527 0.000 0.000 0.324 113 F C -0.368 175.520 175.800 0.148 0.000 1.061 113 F CA -1.144 56.902 58.000 0.078 0.000 0.954 113 F CB 1.784 40.860 39.000 0.128 0.000 1.301 113 F HN -0.189 nan 8.300 nan 0.000 0.482 114 I N 2.965 123.868 120.570 0.555 0.000 2.569 114 I HA 0.411 4.581 4.170 0.000 0.000 0.290 114 I C -1.990 174.457 176.117 0.549 0.000 1.088 114 I CA -0.819 60.779 61.300 0.495 0.000 1.047 114 I CB 1.911 40.129 38.000 0.362 0.000 1.237 114 I HN 0.499 nan 8.210 nan 0.000 0.421 115 L N 8.272 129.833 121.223 0.564 0.000 2.309 115 L HA 0.580 4.920 4.340 0.000 0.000 0.282 115 L C -1.418 175.599 176.870 0.245 0.000 1.036 115 L CA -0.203 54.883 54.840 0.409 0.000 0.806 115 L CB 1.379 43.646 42.059 0.347 0.000 1.220 115 L HN 0.462 nan 8.230 nan 0.000 0.429 116 L N 4.615 125.935 121.223 0.163 0.000 2.349 116 L HA 0.538 4.878 4.340 0.000 0.000 0.278 116 L C -0.456 176.411 176.870 -0.004 0.000 0.996 116 L CA -0.493 54.336 54.840 -0.018 0.000 0.825 116 L CB 1.787 43.682 42.059 -0.273 0.000 1.243 116 L HN 0.599 nan 8.230 nan 0.000 0.412 117 E N 3.496 123.630 120.200 -0.111 0.000 2.134 117 E HA 0.450 4.800 4.350 0.000 0.000 0.278 117 E C -1.607 174.887 176.600 -0.176 0.000 0.959 117 E CA -0.522 55.671 56.400 -0.344 0.000 0.783 117 E CB 1.052 30.616 29.700 -0.227 0.000 1.095 117 E HN 0.448 nan 8.360 nan 0.000 0.399 118 Y N 1.748 121.848 120.300 -0.334 0.000 2.669 118 Y HA 0.475 5.025 4.550 0.000 0.000 0.335 118 Y C -0.003 175.801 175.900 -0.161 0.000 1.116 118 Y CA -1.576 56.416 58.100 -0.180 0.000 1.081 118 Y CB 0.603 39.014 38.460 -0.082 0.000 1.297 118 Y HN 0.475 nan 8.280 nan 0.000 0.484 119 N N -0.637 118.104 118.700 0.068 0.000 2.725 119 N HA -0.305 4.435 4.740 0.000 0.000 0.249 119 N C -0.924 174.573 175.510 -0.021 0.000 1.103 119 N CA 0.966 54.018 53.050 0.002 0.000 0.707 119 N CB -1.758 36.668 38.487 -0.100 0.000 1.043 119 N HN 0.892 nan 8.380 nan 0.000 0.553 120 Y N 0.411 120.641 120.300 -0.118 0.000 2.717 120 Y HA 0.201 4.751 4.550 0.000 0.000 0.330 120 Y C 0.182 176.044 175.900 -0.063 0.000 1.217 120 Y CA 0.185 58.208 58.100 -0.129 0.000 1.506 120 Y CB 0.644 38.978 38.460 -0.210 0.000 1.268 120 Y HN -0.009 nan 8.280 nan 0.000 0.561 121 V N 7.707 127.348 119.914 -0.455 0.000 2.488 121 V HA 0.194 4.314 4.120 0.000 0.000 0.293 121 V C -0.346 175.476 176.094 -0.453 0.000 1.027 121 V CA -1.482 60.648 62.300 -0.283 0.000 0.862 121 V CB 1.323 33.062 31.823 -0.140 0.000 1.008 121 V HN 0.740 nan 8.190 nan 0.000 0.428 122 K N 3.306 123.516 120.400 -0.316 0.000 2.382 122 K HA 0.247 4.567 4.320 0.000 0.000 0.275 122 K C 0.370 176.859 176.600 -0.184 0.000 1.009 122 K CA 0.161 56.336 56.287 -0.187 0.000 0.970 122 K CB 1.306 33.873 32.500 0.112 0.000 0.934 122 K HN 0.836 nan 8.250 nan 0.000 0.479 123 Q N 2.687 122.349 119.800 -0.231 0.000 2.729 123 Q HA 0.172 4.512 4.340 0.000 0.000 0.228 123 Q C -0.087 175.721 176.000 -0.320 0.000 1.021 123 Q CA -0.316 55.181 55.803 -0.510 0.000 0.561 123 Q CB 0.139 28.403 28.738 -0.790 0.000 3.921 123 Q HN 0.702 nan 8.270 nan 0.000 0.430 124 W N -0.051 121.247 121.300 -0.004 0.000 2.240 124 W HA 0.347 5.007 4.660 0.000 0.000 0.576 124 W C 1.676 178.179 176.519 -0.028 0.000 1.811 124 W CA -0.738 56.630 57.345 0.038 0.000 1.962 124 W CB -0.111 29.357 29.460 0.013 0.000 2.620 124 W HN 0.340 nan 8.180 nan 0.000 0.753 125 R N -0.308 120.294 120.500 0.170 0.000 2.112 125 R HA -0.206 4.134 4.340 0.000 0.000 0.242 125 R C 1.667 177.834 176.300 -0.223 0.000 1.137 125 R CA 2.366 58.379 56.100 -0.144 0.000 0.944 125 R CB -0.652 29.390 30.300 -0.429 0.000 0.857 125 R HN 0.499 nan 8.270 nan 0.000 0.435 126 H N -1.239 117.902 119.070 0.118 0.000 3.046 126 H HA 0.254 4.810 4.556 0.000 0.000 0.262 126 H C 0.154 175.544 175.328 0.103 0.000 1.044 126 H CA 0.387 56.527 56.048 0.153 0.000 1.209 126 H CB 0.372 30.208 29.762 0.124 0.000 1.507 126 H HN 0.224 nan 8.280 nan 0.000 0.507 127 S N 1.416 117.075 115.700 -0.070 0.000 2.592 127 S HA 0.414 4.884 4.470 0.000 0.000 0.271 127 S C -0.298 174.138 174.600 -0.274 0.000 1.326 127 S CA -0.510 57.303 58.200 -0.646 0.000 1.024 127 S CB 0.854 63.234 63.200 -1.365 0.000 0.921 127 S HN 0.464 nan 8.310 nan 0.000 0.527 128 Y N -2.265 117.857 120.300 -0.297 0.000 2.779 128 Y HA 0.697 5.247 4.550 0.000 0.000 0.340 128 Y C -0.772 175.051 175.900 -0.128 0.000 1.252 128 Y CA -0.954 56.958 58.100 -0.313 0.000 1.072 128 Y CB 0.528 38.665 38.460 -0.538 0.000 1.343 128 Y HN 0.865 nan 8.280 nan 0.000 0.450 129 T N -0.304 114.268 114.554 0.031 0.000 2.916 129 T HA 1.008 5.358 4.350 0.000 0.000 0.292 129 T C -0.650 174.107 174.700 0.096 0.000 1.055 129 T CA -0.157 61.993 62.100 0.083 0.000 1.009 129 T CB 1.801 70.682 68.868 0.022 0.000 1.118 129 T HN 1.867 nan 8.240 nan 0.000 0.497 130 A N 0.898 123.774 122.820 0.093 0.000 2.599 130 A HA 0.809 5.129 4.320 0.000 0.000 0.290 130 A C -0.607 176.819 177.584 -0.262 0.000 1.101 130 A CA -0.952 51.005 52.037 -0.133 0.000 0.674 130 A CB 1.257 20.115 19.000 -0.237 0.000 1.277 130 A HN 0.884 nan 8.150 nan 0.000 0.419 131 S N -0.764 114.552 115.700 -0.639 0.000 2.638 131 S HA 0.827 5.297 4.470 0.000 0.000 0.298 131 S C -1.547 172.391 174.600 -1.103 0.000 1.111 131 S CA -0.117 57.629 58.200 -0.756 0.000 1.027 131 S CB 0.821 63.443 63.200 -0.963 0.000 1.064 131 S HN 0.464 nan 8.310 nan 0.000 0.525 132 Y N 0.125 120.130 120.300 -0.492 0.000 2.492 132 Y HA 0.471 5.021 4.550 0.000 0.000 0.346 132 Y C -0.548 175.356 175.900 0.007 0.000 0.997 132 Y CA -0.856 57.111 58.100 -0.222 0.000 1.025 132 Y CB 1.897 40.212 38.460 -0.241 0.000 1.263 132 Y HN 0.497 nan 8.280 nan 0.000 0.454 133 D N 2.794 123.393 120.400 0.332 0.000 2.896 133 D HA 0.488 5.128 4.640 0.000 0.000 0.241 133 D C -0.908 175.583 176.300 0.319 0.000 1.188 133 D CA -0.304 53.914 54.000 0.364 0.000 0.879 133 D CB 2.547 43.712 40.800 0.607 0.000 1.553 133 D HN 0.400 nan 8.370 nan 0.000 0.515 134 I N 1.839 122.578 120.570 0.282 0.000 2.428 134 I HA 0.315 4.485 4.170 0.000 0.000 0.296 134 I C -0.661 175.737 176.117 0.469 0.000 0.985 134 I CA -0.890 60.620 61.300 0.350 0.000 1.260 134 I CB 1.230 39.377 38.000 0.244 0.000 1.389 134 I HN 0.262 nan 8.210 nan 0.000 0.484 135 Y N 4.841 125.380 120.300 0.398 0.000 2.361 135 Y HA 0.304 4.854 4.550 0.000 0.000 0.337 135 Y C -0.667 175.421 175.900 0.313 0.000 0.965 135 Y CA -0.964 57.353 58.100 0.362 0.000 1.091 135 Y CB 1.346 40.066 38.460 0.434 0.000 1.182 135 Y HN 0.524 nan 8.280 nan 0.000 0.450 136 D N 6.131 126.488 120.400 -0.072 0.000 2.336 136 D HA 0.105 4.745 4.640 0.000 0.000 0.249 136 D C 0.408 176.476 176.300 -0.387 0.000 1.213 136 D CA 0.235 54.070 54.000 -0.275 0.000 0.870 136 D CB 1.136 41.814 40.800 -0.204 0.000 1.076 136 D HN 0.866 nan 8.370 nan 0.000 0.483 137 L N 3.565 124.625 121.223 -0.271 0.000 2.478 137 L HA -0.042 4.299 4.340 0.000 0.000 0.223 137 L C 1.792 178.543 176.870 -0.198 0.000 1.140 137 L CA 0.189 54.955 54.840 -0.124 0.000 0.842 137 L CB -0.201 41.789 42.059 -0.116 0.000 0.953 137 L HN 0.325 nan 8.230 nan 0.000 0.452 138 N N 0.688 119.225 118.700 -0.272 0.000 2.176 138 N HA -0.073 4.667 4.740 0.000 0.000 0.187 138 N C 1.101 176.506 175.510 -0.174 0.000 1.043 138 N CA 1.103 54.032 53.050 -0.202 0.000 0.851 138 N CB -0.077 38.289 38.487 -0.202 0.000 1.018 138 N HN 0.162 nan 8.380 nan 0.000 0.436 139 K N 1.899 122.182 120.400 -0.196 0.000 2.790 139 K HA 0.151 4.471 4.320 0.000 0.000 0.229 139 K C -0.377 176.093 176.600 -0.217 0.000 1.040 139 K CA -0.175 56.012 56.287 -0.166 0.000 1.211 139 K CB 0.160 32.581 32.500 -0.132 0.000 1.002 139 K HN 0.047 nan 8.250 nan 0.000 0.479 140 R N 1.029 121.386 120.500 -0.239 0.000 2.841 140 R HA -0.246 4.094 4.340 0.000 0.000 0.224 140 R C -0.546 175.494 176.300 -0.433 0.000 0.809 140 R CA 1.042 56.987 56.100 -0.258 0.000 0.547 140 R CB -1.956 28.292 30.300 -0.086 0.000 1.099 140 R HN 0.548 nan 8.270 nan 0.000 0.503 141 Q N -0.768 118.545 119.800 -0.812 0.000 2.534 141 Q HA 0.488 4.828 4.340 0.000 0.000 0.290 141 Q C -0.949 174.734 176.000 -0.528 0.000 0.991 141 Q CA -1.136 54.336 55.803 -0.553 0.000 0.783 141 Q CB 1.651 30.251 28.738 -0.230 0.000 1.470 141 Q HN 0.110 nan 8.270 nan 0.000 0.406 142 L N 1.549 122.730 121.223 -0.069 0.000 2.326 142 L HA 0.300 4.640 4.340 0.000 0.000 0.278 142 L C -0.269 176.656 176.870 0.092 0.000 1.092 142 L CA -0.261 54.675 54.840 0.161 0.000 0.810 142 L CB 0.364 42.592 42.059 0.281 0.000 1.153 142 L HN 0.433 nan 8.230 nan 0.000 0.439 143 I N 2.565 123.217 120.570 0.137 0.000 2.452 143 I HA 0.043 4.213 4.170 0.000 0.000 0.287 143 I C 1.224 177.384 176.117 0.072 0.000 1.079 143 I CA 0.336 61.694 61.300 0.096 0.000 1.387 143 I CB 0.654 38.721 38.000 0.112 0.000 1.404 143 I HN 0.785 nan 8.210 nan 0.000 0.522 144 T N 2.585 117.162 114.554 0.039 0.000 3.037 144 T HA 0.086 4.436 4.350 0.000 0.000 0.251 144 T C 0.568 175.270 174.700 0.002 0.000 1.079 144 T CA -0.101 62.012 62.100 0.022 0.000 1.067 144 T CB 0.249 69.123 68.868 0.010 0.000 0.948 144 T HN 0.660 nan 8.240 nan 0.000 0.496 145 E N 1.065 121.263 120.200 -0.003 0.000 2.359 145 E HA 0.299 4.649 4.350 0.000 0.000 0.266 145 E C -0.983 175.597 176.600 -0.033 0.000 0.920 145 E CA -0.730 55.657 56.400 -0.021 0.000 0.788 145 E CB 0.998 30.687 29.700 -0.018 0.000 1.279 145 E HN -0.022 nan 8.360 nan 0.000 0.438 146 E N 0.590 120.758 120.200 -0.054 0.000 2.240 146 E HA -0.211 4.139 4.350 0.000 0.000 0.194 146 E C -0.559 175.982 176.600 -0.098 0.000 1.385 146 E CA 0.659 57.015 56.400 -0.073 0.000 0.686 146 E CB -1.141 28.529 29.700 -0.050 0.000 1.125 146 E HN 0.501 nan 8.360 nan 0.000 0.359 147 R N -0.224 120.200 120.500 -0.127 0.000 2.607 147 R HA 0.585 4.925 4.340 0.000 0.000 0.261 147 R C 1.017 177.144 176.300 -0.289 0.000 1.051 147 R CA -0.981 55.026 56.100 -0.156 0.000 1.110 147 R CB 0.842 31.081 30.300 -0.102 0.000 1.158 147 R HN 0.094 nan 8.270 nan 0.000 0.543 148 I N 2.812 123.174 120.570 -0.346 0.000 2.474 148 I HA 0.152 4.322 4.170 0.000 0.000 0.287 148 I C -1.865 173.960 176.117 -0.488 0.000 1.048 148 I CA -1.942 58.998 61.300 -0.599 0.000 1.383 148 I CB 0.966 38.596 38.000 -0.618 0.000 1.412 148 I HN 0.247 nan 8.210 nan 0.000 0.531 149 P HA 0.079 nan 4.420 nan 0.000 0.272 149 P C -0.888 176.243 177.300 -0.281 0.000 1.223 149 P CA -0.340 62.405 63.100 -0.592 0.000 0.784 149 P CB 0.301 31.224 31.700 -1.295 0.000 0.923 150 N N 2.600 121.209 118.700 -0.152 0.000 2.381 150 N HA -0.023 4.717 4.740 0.000 0.000 0.241 150 N C 0.478 176.056 175.510 0.113 0.000 1.279 150 N CA 0.435 53.453 53.050 -0.053 0.000 0.896 150 N CB -0.417 38.051 38.487 -0.032 0.000 1.118 150 N HN 0.426 nan 8.380 nan 0.000 0.438 151 N N -1.212 117.545 118.700 0.094 0.000 2.754 151 N HA -0.157 4.583 4.740 0.000 0.000 0.248 151 N C -0.823 174.858 175.510 0.284 0.000 1.093 151 N CA 0.703 53.847 53.050 0.157 0.000 0.699 151 N CB -1.703 36.877 38.487 0.155 0.000 1.016 151 N HN 0.482 nan 8.380 nan 0.000 0.552 152 T N 0.732 115.451 114.554 0.275 0.000 2.907 152 T HA 0.169 4.519 4.350 0.000 0.000 0.298 152 T C 1.727 176.565 174.700 0.231 0.000 1.017 152 T CA -0.002 62.276 62.100 0.296 0.000 1.118 152 T CB 1.279 70.222 68.868 0.126 0.000 0.948 152 T HN 0.178 nan 8.240 nan 0.000 0.531 153 Q N 1.416 121.336 119.800 0.200 0.000 2.394 153 Q HA 0.177 4.517 4.340 0.000 0.000 0.218 153 Q C 0.146 176.281 176.000 0.226 0.000 0.907 153 Q CA 0.159 56.084 55.803 0.204 0.000 0.919 153 Q CB 1.215 30.049 28.738 0.160 0.000 1.051 153 Q HN 0.682 nan 8.270 nan 0.000 0.538 154 W N 0.580 121.822 121.300 -0.096 0.000 3.479 154 W HA 0.479 5.139 4.660 0.000 0.000 0.304 154 W C -2.224 174.196 176.519 -0.165 0.000 1.243 154 W CA -0.600 56.652 57.345 -0.156 0.000 1.202 154 W CB 1.567 30.877 29.460 -0.250 0.000 1.346 154 W HN -0.300 nan 8.180 nan 0.000 0.539 155 V N 3.214 122.465 119.914 -1.105 0.000 2.876 155 V HA 0.732 4.852 4.120 0.000 0.000 0.312 155 V C -0.399 175.076 176.094 -1.031 0.000 1.085 155 V CA -0.671 61.095 62.300 -0.891 0.000 0.945 155 V CB 1.798 33.006 31.823 -1.026 0.000 1.017 155 V HN 0.499 nan 8.190 nan 0.000 0.428 156 T N 2.075 116.347 114.554 -0.469 0.000 2.982 156 T HA 0.516 4.866 4.350 0.000 0.000 0.321 156 T C -1.506 173.212 174.700 0.031 0.000 1.229 156 T CA -0.335 61.679 62.100 -0.144 0.000 1.044 156 T CB 0.866 69.883 68.868 0.249 0.000 1.184 156 T HN 0.523 nan 8.240 nan 0.000 0.477 157 W N 2.905 124.264 121.300 0.098 0.000 2.129 157 W HA 0.472 5.132 4.660 0.000 0.000 0.349 157 W C 1.245 177.681 176.519 -0.137 0.000 1.279 157 W CA -0.543 56.817 57.345 0.024 0.000 1.306 157 W CB 0.632 30.095 29.460 0.005 0.000 1.140 157 W HN 0.799 nan 8.180 nan 0.000 0.613 158 S N 0.933 116.481 115.700 -0.253 0.000 2.600 158 S HA 0.181 4.651 4.470 0.000 0.000 0.265 158 S C -1.878 172.483 174.600 -0.399 0.000 1.325 158 S CA -1.001 56.545 58.200 -1.089 0.000 1.002 158 S CB 1.017 63.461 63.200 -1.260 0.000 0.921 158 S HN 0.263 nan 8.310 nan 0.000 0.554 159 P HA 0.058 nan 4.420 nan 0.000 0.223 159 P C 0.081 177.326 177.300 -0.093 0.000 1.151 159 P CA 0.660 63.706 63.100 -0.090 0.000 0.787 159 P CB -0.200 31.483 31.700 -0.028 0.000 0.788 160 V N -6.377 113.435 119.914 -0.169 0.000 3.007 160 V HA 0.890 5.010 4.120 0.000 0.000 0.311 160 V C 0.316 176.290 176.094 -0.198 0.000 1.120 160 V CA -0.397 61.820 62.300 -0.139 0.000 0.980 160 V CB 1.097 32.859 31.823 -0.101 0.000 1.033 160 V HN 0.390 nan 8.190 nan 0.000 0.429 161 G N 2.385 111.080 108.800 -0.175 0.000 2.512 161 G HA2 -0.140 3.820 3.960 0.000 0.000 0.240 161 G HA3 -0.140 3.820 3.960 0.000 0.000 0.240 161 G C 0.106 174.874 174.900 -0.219 0.000 1.246 161 G CA 0.522 45.462 45.100 -0.267 0.000 0.919 161 G HN 2.427 nan 8.290 nan 0.000 0.577 162 H N -0.530 118.523 119.070 -0.027 0.000 2.750 162 H HA 0.450 5.006 4.556 0.000 0.000 0.239 162 H C 0.447 175.911 175.328 0.227 0.000 1.210 162 H CA -0.190 55.890 56.048 0.053 0.000 0.936 162 H CB 0.037 29.804 29.762 0.008 0.000 2.074 162 H HN 0.466 nan 8.280 nan 0.000 0.622 163 K N 1.670 122.119 120.400 0.080 0.000 2.319 163 K HA 0.401 4.721 4.320 0.000 0.000 0.265 163 K C -0.432 176.279 176.600 0.184 0.000 1.000 163 K CA -0.124 56.201 56.287 0.064 0.000 0.943 163 K CB 1.314 33.697 32.500 -0.194 0.000 0.950 163 K HN 0.188 nan 8.250 nan 0.000 0.485 164 L N 1.435 122.771 121.223 0.189 0.000 2.401 164 L HA 0.600 4.940 4.340 0.000 0.000 0.266 164 L C -0.997 176.047 176.870 0.289 0.000 0.991 164 L CA -0.892 54.019 54.840 0.118 0.000 0.818 164 L CB 2.135 44.117 42.059 -0.128 0.000 1.321 164 L HN 0.709 nan 8.230 nan 0.000 0.413 165 A N 2.678 125.671 122.820 0.288 0.000 2.371 165 A HA 0.827 5.147 4.320 0.000 0.000 0.311 165 A C -1.619 176.001 177.584 0.061 0.000 1.068 165 A CA -0.371 51.744 52.037 0.130 0.000 0.744 165 A CB 1.397 20.388 19.000 -0.016 0.000 1.239 165 A HN 0.651 nan 8.150 nan 0.000 0.435 166 Y N -0.655 119.598 120.300 -0.078 0.000 2.615 166 Y HA 0.777 5.327 4.550 0.000 0.000 0.341 166 Y C -1.278 174.627 175.900 0.008 0.000 1.089 166 Y CA -1.553 56.477 58.100 -0.117 0.000 1.049 166 Y CB 1.144 39.464 38.460 -0.235 0.000 1.296 166 Y HN 0.410 nan 8.280 nan 0.000 0.470 167 V N 2.242 122.252 119.914 0.161 0.000 2.495 167 V HA 0.379 4.499 4.120 0.000 0.000 0.298 167 V C -1.526 174.755 176.094 0.311 0.000 1.031 167 V CA -0.569 61.804 62.300 0.122 0.000 0.871 167 V CB 1.384 33.208 31.823 0.002 0.000 0.988 167 V HN 0.866 nan 8.190 nan 0.000 0.432 168 W N 5.251 126.615 121.300 0.107 0.000 3.132 168 W HA 0.452 5.112 4.660 0.000 0.000 0.337 168 W C 0.216 176.771 176.519 0.061 0.000 1.082 168 W CA -0.759 56.629 57.345 0.072 0.000 1.242 168 W CB 1.184 30.653 29.460 0.015 0.000 1.354 168 W HN 0.780 nan 8.180 nan 0.000 0.461 169 N N 5.548 123.858 118.700 -0.651 0.000 2.727 169 N HA -0.346 4.394 4.740 0.000 0.000 0.249 169 N C 0.071 175.401 175.510 -0.300 0.000 1.048 169 N CA 1.077 53.764 53.050 -0.604 0.000 0.714 169 N CB -1.113 36.815 38.487 -0.931 0.000 0.959 169 N HN 0.787 nan 8.380 nan 0.000 0.544 170 N N -2.106 116.479 118.700 -0.192 0.000 2.850 170 N HA -0.164 4.576 4.740 0.000 0.000 0.249 170 N C -1.326 174.090 175.510 -0.155 0.000 1.060 170 N CA 1.051 54.005 53.050 -0.161 0.000 0.825 170 N CB -0.389 37.963 38.487 -0.225 0.000 1.132 170 N HN 0.475 nan 8.380 nan 0.000 0.564 171 D N 0.419 120.739 120.400 -0.134 0.000 2.490 171 D HA 0.522 5.162 4.640 0.000 0.000 0.232 171 D C 0.075 176.200 176.300 -0.292 0.000 1.053 171 D CA -0.377 53.466 54.000 -0.261 0.000 0.914 171 D CB 1.876 42.471 40.800 -0.341 0.000 1.431 171 D HN -0.006 nan 8.370 nan 0.000 0.483 172 I N 1.321 121.553 120.570 -0.562 0.000 2.437 172 I HA 0.314 4.484 4.170 0.000 0.000 0.298 172 I C -0.829 174.811 176.117 -0.794 0.000 0.984 172 I CA -0.580 60.384 61.300 -0.559 0.000 1.214 172 I CB 0.799 38.406 38.000 -0.655 0.000 1.365 172 I HN 0.177 nan 8.210 nan 0.000 0.469 173 Y N 3.701 123.608 120.300 -0.655 0.000 2.545 173 Y HA 0.629 5.179 4.550 0.000 0.000 0.348 173 Y C -0.416 175.183 175.900 -0.502 0.000 1.002 173 Y CA -0.973 56.726 58.100 -0.669 0.000 1.039 173 Y CB 2.107 39.901 38.460 -1.111 0.000 1.271 173 Y HN 0.101 nan 8.280 nan 0.000 0.467 174 V N 2.662 122.548 119.914 -0.045 0.000 2.531 174 V HA 0.429 4.549 4.120 0.000 0.000 0.301 174 V C -0.756 175.483 176.094 0.242 0.000 1.034 174 V CA -1.412 60.940 62.300 0.088 0.000 0.865 174 V CB 1.859 33.719 31.823 0.061 0.000 0.995 174 V HN 0.611 nan 8.190 nan 0.000 0.424 175 K N 4.340 124.881 120.400 0.234 0.000 2.265 175 K HA 0.513 4.833 4.320 0.000 0.000 0.267 175 K C 0.411 177.126 176.600 0.191 0.000 0.994 175 K CA -0.687 55.735 56.287 0.224 0.000 0.860 175 K CB 1.910 34.496 32.500 0.143 0.000 1.099 175 K HN 0.470 nan 8.250 nan 0.000 0.448 176 I N 1.194 121.885 120.570 0.201 0.000 2.333 176 I HA -0.078 4.092 4.170 0.000 0.000 0.246 176 I C 0.421 176.638 176.117 0.167 0.000 1.106 176 I CA 1.418 62.802 61.300 0.140 0.000 1.411 176 I CB 0.006 38.073 38.000 0.111 0.000 1.082 176 I HN 0.544 nan 8.210 nan 0.000 0.420 177 E N 0.041 120.332 120.200 0.151 0.000 2.222 177 E HA 0.265 4.615 4.350 0.000 0.000 0.267 177 E C -1.830 174.761 176.600 -0.015 0.000 0.884 177 E CA -2.046 54.408 56.400 0.091 0.000 0.764 177 E CB 1.770 31.522 29.700 0.086 0.000 1.169 177 E HN -0.157 nan 8.360 nan 0.000 0.413 178 P HA -0.237 nan 4.420 nan 0.000 0.218 178 P C 0.919 178.171 177.300 -0.081 0.000 1.154 178 P CA 1.666 64.644 63.100 -0.204 0.000 0.872 178 P CB 0.291 31.685 31.700 -0.510 0.000 0.790 179 N N -1.518 117.154 118.700 -0.046 0.000 2.424 179 N HA -0.016 4.724 4.740 0.000 0.000 0.178 179 N C 0.437 175.948 175.510 0.003 0.000 1.060 179 N CA 0.424 53.473 53.050 -0.003 0.000 0.901 179 N CB -0.632 37.870 38.487 0.025 0.000 0.979 179 N HN 0.087 nan 8.380 nan 0.000 0.451 180 L N 2.018 123.251 121.223 0.018 0.000 2.456 180 L HA 0.403 4.743 4.340 0.000 0.000 0.257 180 L C -1.922 174.953 176.870 0.010 0.000 1.162 180 L CA -2.001 52.855 54.840 0.027 0.000 0.808 180 L CB 0.093 42.194 42.059 0.072 0.000 1.136 180 L HN 0.032 nan 8.230 nan 0.000 0.466 181 P HA 0.125 nan 4.420 nan 0.000 0.272 181 P C -1.072 176.196 177.300 -0.053 0.000 1.223 181 P CA -0.473 62.588 63.100 -0.065 0.000 0.784 181 P CB 0.679 32.306 31.700 -0.121 0.000 0.923 182 S N 1.537 117.238 115.700 0.003 0.000 2.562 182 S HA 0.391 4.862 4.470 0.000 0.000 0.275 182 S C -0.551 174.086 174.600 0.062 0.000 1.281 182 S CA -0.555 57.722 58.200 0.129 0.000 1.045 182 S CB 0.022 63.367 63.200 0.242 0.000 0.962 182 S HN 0.309 nan 8.310 nan 0.000 0.503 183 Y N 0.901 121.236 120.300 0.058 0.000 2.313 183 Y HA 0.388 4.938 4.550 0.000 0.000 0.332 183 Y C 1.207 177.053 175.900 -0.090 0.000 1.071 183 Y CA -0.849 57.262 58.100 0.018 0.000 1.169 183 Y CB 0.842 39.311 38.460 0.014 0.000 1.192 183 Y HN 0.507 nan 8.280 nan 0.000 0.487 184 R N 3.764 124.233 120.500 -0.051 0.000 2.298 184 R HA 0.175 4.515 4.340 0.000 0.000 0.310 184 R C 0.158 176.232 176.300 -0.377 0.000 1.068 184 R CA 0.038 55.827 56.100 -0.518 0.000 0.957 184 R CB 0.583 30.393 30.300 -0.816 0.000 1.003 184 R HN 0.774 nan 8.270 nan 0.000 0.454 185 I N 1.392 121.632 120.570 -0.550 0.000 2.729 185 I HA -0.024 4.146 4.170 0.000 0.000 0.256 185 I C 1.296 177.216 176.117 -0.328 0.000 1.115 185 I CA 0.974 62.070 61.300 -0.340 0.000 1.446 185 I CB -0.815 36.945 38.000 -0.401 0.000 1.176 185 I HN 0.506 nan 8.210 nan 0.000 0.446 186 T N -3.244 110.976 114.554 -0.558 0.000 2.888 186 T HA 0.388 4.738 4.350 0.000 0.000 0.284 186 T C -0.557 173.856 174.700 -0.478 0.000 1.017 186 T CA -0.464 61.406 62.100 -0.382 0.000 1.022 186 T CB 1.897 70.511 68.868 -0.424 0.000 1.013 186 T HN 0.219 nan 8.240 nan 0.000 0.465 187 W N 0.559 121.741 121.300 -0.197 0.000 2.702 187 W HA 0.239 4.899 4.660 0.000 0.000 0.369 187 W C 1.791 178.250 176.519 -0.101 0.000 0.987 187 W CA -0.243 57.020 57.345 -0.135 0.000 1.702 187 W CB 0.306 29.707 29.460 -0.098 0.000 1.138 187 W HN 0.927 nan 8.180 nan 0.000 0.552 188 T N -3.044 111.540 114.554 0.051 0.000 3.040 188 T HA 0.281 4.631 4.350 0.000 0.000 0.250 188 T C 1.230 175.919 174.700 -0.019 0.000 1.058 188 T CA 0.117 62.235 62.100 0.030 0.000 0.988 188 T CB -0.058 68.826 68.868 0.027 0.000 0.993 188 T HN -0.006 nan 8.240 nan 0.000 0.519 189 G N 1.447 110.204 108.800 -0.072 0.000 2.305 189 G HA2 0.364 4.324 3.960 0.000 0.000 0.243 189 G HA3 0.364 4.324 3.960 0.000 0.000 0.243 189 G C -0.614 174.215 174.900 -0.120 0.000 1.288 189 G CA -0.330 44.701 45.100 -0.115 0.000 0.901 189 G HN 0.555 nan 8.290 nan 0.000 0.516 190 K N 1.957 122.267 120.400 -0.151 0.000 2.565 190 K HA 0.199 4.519 4.320 0.000 0.000 0.251 190 K C -0.355 176.118 176.600 -0.211 0.000 0.956 190 K CA -0.708 55.493 56.287 -0.144 0.000 0.809 190 K CB 1.845 34.298 32.500 -0.078 0.000 1.267 190 K HN 0.600 nan 8.250 nan 0.000 0.438 191 E N 3.193 123.280 120.200 -0.188 0.000 2.480 191 E HA -0.111 4.239 4.350 0.000 0.000 0.258 191 E C -0.573 175.937 176.600 -0.150 0.000 0.984 191 E CA 0.785 57.070 56.400 -0.193 0.000 0.930 191 E CB 0.287 29.908 29.700 -0.131 0.000 0.936 191 E HN 0.628 nan 8.360 nan 0.000 0.466 192 D N 2.772 123.069 120.400 -0.173 0.000 3.077 192 D HA -0.226 4.414 4.640 0.000 0.000 0.217 192 D C 0.423 176.765 176.300 0.072 0.000 1.162 192 D CA 1.154 55.170 54.000 0.027 0.000 0.943 192 D CB -0.389 40.460 40.800 0.082 0.000 1.122 192 D HN 0.421 nan 8.370 nan 0.000 0.413 193 I N -1.243 119.287 120.570 -0.066 0.000 3.814 193 I HA 0.100 4.270 4.170 0.000 0.000 0.264 193 I C 0.679 176.857 176.117 0.101 0.000 1.145 193 I CA 0.416 61.753 61.300 0.062 0.000 1.375 193 I CB 0.117 38.131 38.000 0.023 0.000 1.638 193 I HN -0.147 nan 8.210 nan 0.000 0.432 194 I N 1.819 122.354 120.570 -0.059 0.000 2.389 194 I HA 0.287 4.457 4.170 0.000 0.000 0.288 194 I C -1.228 174.841 176.117 -0.081 0.000 0.999 194 I CA -0.645 60.681 61.300 0.043 0.000 1.129 194 I CB 0.914 38.929 38.000 0.026 0.000 1.288 194 I HN 0.029 nan 8.210 nan 0.000 0.444 195 Y N 4.728 125.112 120.300 0.140 0.000 2.334 195 Y HA 0.402 4.952 4.550 0.000 0.000 0.336 195 Y C 0.363 176.320 175.900 0.094 0.000 0.960 195 Y CA -0.775 57.406 58.100 0.136 0.000 1.164 195 Y CB 1.033 39.648 38.460 0.258 0.000 1.155 195 Y HN 0.399 nan 8.280 nan 0.000 0.478 196 N N 2.418 121.167 118.700 0.081 0.000 2.501 196 N HA 0.357 5.097 4.740 0.000 0.000 0.245 196 N C 0.838 176.267 175.510 -0.134 0.000 0.974 196 N CA 0.428 53.455 53.050 -0.038 0.000 0.941 196 N CB 1.720 40.091 38.487 -0.193 0.000 1.122 196 N HN 0.976 nan 8.380 nan 0.000 0.507 197 G N 1.556 110.298 108.800 -0.097 0.000 2.176 197 G HA2 -0.254 3.706 3.960 0.000 0.000 0.253 197 G HA3 -0.254 3.706 3.960 0.000 0.000 0.253 197 G C 0.086 174.811 174.900 -0.292 0.000 0.979 197 G CA 0.596 45.558 45.100 -0.230 0.000 0.641 197 G HN 0.633 nan 8.290 nan 0.000 0.530 198 I N -1.434 119.035 120.570 -0.168 0.000 2.828 198 I HA 0.820 4.990 4.170 0.000 0.000 0.302 198 I C 0.349 176.449 176.117 -0.028 0.000 1.101 198 I CA -0.674 60.428 61.300 -0.330 0.000 1.031 198 I CB 2.001 39.620 38.000 -0.635 0.000 1.231 198 I HN 0.184 nan 8.210 nan 0.000 0.427 199 T N -0.321 114.145 114.554 -0.146 0.000 2.882 199 T HA 0.353 4.703 4.350 0.000 0.000 0.287 199 T C -0.044 174.455 174.700 -0.335 0.000 1.014 199 T CA -0.593 61.301 62.100 -0.343 0.000 1.049 199 T CB 1.146 69.906 68.868 -0.180 0.000 1.001 199 T HN 0.800 nan 8.240 nan 0.000 0.525 200 D N 0.521 120.458 120.400 -0.771 0.000 2.376 200 D HA 0.010 4.650 4.640 0.000 0.000 0.268 200 D C 1.020 177.249 176.300 -0.118 0.000 1.252 200 D CA -0.898 52.674 54.000 -0.713 0.000 1.041 200 D CB -0.108 40.191 40.800 -0.834 0.000 1.109 200 D HN 0.690 nan 8.370 nan 0.000 0.552 201 W N -0.351 120.886 121.300 -0.106 0.000 2.354 201 W HA -0.143 4.517 4.660 0.000 0.000 0.315 201 W C 2.196 178.627 176.519 -0.147 0.000 1.206 201 W CA 2.206 59.504 57.345 -0.079 0.000 1.290 201 W CB -0.525 28.845 29.460 -0.150 0.000 1.152 201 W HN 0.165 nan 8.180 nan 0.000 0.489 202 V N -0.110 119.877 119.914 0.122 0.000 2.548 202 V HA -0.245 3.875 4.120 0.000 0.000 0.249 202 V C 1.818 177.741 176.094 -0.284 0.000 1.055 202 V CA 1.803 64.055 62.300 -0.081 0.000 1.065 202 V CB -0.715 31.084 31.823 -0.040 0.000 0.681 202 V HN 0.290 nan 8.190 nan 0.000 0.462 203 Y N 0.719 120.852 120.300 -0.278 0.000 2.242 203 Y HA -0.144 4.406 4.550 0.000 0.000 0.291 203 Y C 2.591 178.387 175.900 -0.175 0.000 1.137 203 Y CA 2.101 60.038 58.100 -0.272 0.000 1.181 203 Y CB -0.046 38.154 38.460 -0.433 0.000 0.989 203 Y HN 0.372 nan 8.280 nan 0.000 0.527 204 E N 0.337 120.497 120.200 -0.066 0.000 2.031 204 E HA -0.288 4.062 4.350 0.000 0.000 0.193 204 E C 2.009 178.555 176.600 -0.091 0.000 0.994 204 E CA 1.573 57.960 56.400 -0.022 0.000 0.800 204 E CB 0.031 29.718 29.700 -0.022 0.000 0.752 204 E HN 0.437 nan 8.360 nan 0.000 0.447 205 E N 0.206 120.168 120.200 -0.397 0.000 2.051 205 E HA -0.141 4.209 4.350 0.000 0.000 0.189 205 E C 1.743 178.197 176.600 -0.243 0.000 0.979 205 E CA 1.413 57.551 56.400 -0.435 0.000 0.803 205 E CB 0.125 29.214 29.700 -1.018 0.000 0.761 205 E HN 0.162 nan 8.360 nan 0.000 0.451 206 E N -0.377 119.656 120.200 -0.279 0.000 2.415 206 E HA 0.037 4.387 4.350 0.000 0.000 0.197 206 E C 1.757 178.218 176.600 -0.231 0.000 1.007 206 E CA 0.831 57.116 56.400 -0.191 0.000 0.890 206 E CB 1.021 30.609 29.700 -0.188 0.000 0.891 206 E HN 0.327 nan 8.360 nan 0.000 0.496 207 V N -1.729 118.008 119.914 -0.294 0.000 3.097 207 V HA 0.114 4.234 4.120 0.000 0.000 0.223 207 V C 1.382 177.301 176.094 -0.291 0.000 1.199 207 V CA 0.288 62.354 62.300 -0.389 0.000 1.260 207 V CB -0.456 30.973 31.823 -0.658 0.000 1.155 207 V HN -0.039 nan 8.190 nan 0.000 0.509 208 F N 1.732 121.698 119.950 0.026 0.000 2.710 208 F HA 0.403 4.930 4.527 0.000 0.000 0.298 208 F C 1.835 177.618 175.800 -0.029 0.000 1.137 208 F CA 0.817 58.848 58.000 0.051 0.000 1.444 208 F CB -0.475 38.595 39.000 0.116 0.000 1.111 208 F HN 0.296 nan 8.300 nan 0.000 0.580 209 S N -0.162 115.584 115.700 0.077 0.000 3.473 209 S HA -0.086 4.384 4.470 0.000 0.000 0.339 209 S C 0.154 174.453 174.600 -0.501 0.000 1.148 209 S CA 0.437 58.594 58.200 -0.071 0.000 0.969 209 S CB -1.537 61.648 63.200 -0.024 0.000 0.936 209 S HN 0.623 nan 8.310 nan 0.000 0.530 210 A N -0.793 121.891 122.820 -0.227 0.000 2.609 210 A HA 0.754 5.074 4.320 0.000 0.000 0.291 210 A C -0.200 177.350 177.584 -0.055 0.000 1.096 210 A CA -0.459 51.412 52.037 -0.276 0.000 0.684 210 A CB 0.415 19.279 19.000 -0.227 0.000 1.282 210 A HN 0.244 nan 8.150 nan 0.000 0.412 211 Y N 1.088 121.221 120.300 -0.278 0.000 2.397 211 Y HA 0.177 4.727 4.550 0.000 0.000 0.292 211 Y C 1.584 177.179 175.900 -0.509 0.000 1.115 211 Y CA 1.006 58.942 58.100 -0.273 0.000 1.208 211 Y CB -0.009 38.324 38.460 -0.212 0.000 1.046 211 Y HN 0.607 nan 8.280 nan 0.000 0.552 212 S N 0.861 116.025 115.700 -0.893 0.000 2.510 212 S HA 0.450 4.920 4.470 0.000 0.000 0.279 212 S C 0.222 174.267 174.600 -0.925 0.000 1.284 212 S CA 0.085 57.498 58.200 -1.311 0.000 1.059 212 S CB 0.269 62.347 63.200 -1.869 0.000 0.901 212 S HN 0.393 nan 8.310 nan 0.000 0.491 213 A N 5.204 127.507 122.820 -0.861 0.000 3.113 213 A HA 0.553 4.873 4.320 0.000 0.000 0.307 213 A C -0.789 176.063 177.584 -1.219 0.000 1.025 213 A CA -0.662 50.797 52.037 -0.963 0.000 1.012 213 A CB -0.514 18.330 19.000 -0.260 0.000 1.085 213 A HN 0.836 nan 8.150 nan 0.000 0.519 214 L N -4.569 115.787 121.223 -1.445 0.000 2.424 214 L HA 0.875 5.215 4.340 0.000 0.000 0.258 214 L C -1.301 174.937 176.870 -1.053 0.000 0.995 214 L CA -1.391 52.809 54.840 -1.066 0.000 0.821 214 L CB 0.994 42.744 42.059 -0.514 0.000 1.383 214 L HN 0.244 nan 8.230 nan 0.000 0.410 215 W N 1.111 122.393 121.300 -0.031 0.000 2.884 215 W HA 0.344 5.004 4.660 0.000 0.000 0.336 215 W C -1.461 175.199 176.519 0.234 0.000 1.038 215 W CA -0.781 56.665 57.345 0.168 0.000 1.247 215 W CB 1.523 31.163 29.460 0.299 0.000 1.351 215 W HN 0.611 nan 8.180 nan 0.000 0.446 216 W N 2.317 123.807 121.300 0.318 0.000 2.150 216 W HA 0.243 4.903 4.660 0.000 0.000 0.341 216 W C 1.327 177.643 176.519 -0.339 0.000 1.276 216 W CA 0.261 57.651 57.345 0.076 0.000 1.238 216 W CB 0.861 30.347 29.460 0.043 0.000 1.128 216 W HN 0.208 nan 8.180 nan 0.000 0.581 217 S N 2.187 117.610 115.700 -0.463 0.000 2.600 217 S HA 0.216 4.686 4.470 0.000 0.000 0.265 217 S C -1.780 172.573 174.600 -0.412 0.000 1.325 217 S CA -1.012 56.399 58.200 -1.316 0.000 1.002 217 S CB 1.220 63.673 63.200 -1.246 0.000 0.921 217 S HN 0.264 nan 8.310 nan 0.000 0.554 218 P HA -0.151 nan 4.420 nan 0.000 0.215 218 P C 0.986 178.252 177.300 -0.058 0.000 1.157 218 P CA 1.667 64.730 63.100 -0.062 0.000 0.874 218 P CB -0.244 31.465 31.700 0.016 0.000 0.790 219 N N -1.667 116.992 118.700 -0.070 0.000 2.398 219 N HA 0.088 4.828 4.740 0.000 0.000 0.188 219 N C 1.103 176.535 175.510 -0.130 0.000 1.122 219 N CA 0.863 53.866 53.050 -0.077 0.000 0.866 219 N CB -0.907 37.552 38.487 -0.047 0.000 0.970 219 N HN 0.210 nan 8.380 nan 0.000 0.462 220 G N -1.374 107.350 108.800 -0.126 0.000 2.132 220 G HA2 -0.301 3.659 3.960 0.000 0.000 0.234 220 G HA3 -0.301 3.659 3.960 0.000 0.000 0.234 220 G C 0.849 175.734 174.900 -0.026 0.000 0.989 220 G CA 0.593 45.604 45.100 -0.148 0.000 0.676 220 G HN 0.358 nan 8.290 nan 0.000 0.522 221 T N -0.073 114.434 114.554 -0.077 0.000 2.701 221 T HA 0.191 4.541 4.350 0.000 0.000 0.263 221 T C 0.864 175.450 174.700 -0.189 0.000 1.040 221 T CA 1.307 63.270 62.100 -0.228 0.000 1.147 221 T CB -0.086 68.512 68.868 -0.449 0.000 0.865 221 T HN 0.290 nan 8.240 nan 0.000 0.426 222 F N 0.331 120.327 119.950 0.077 0.000 2.425 222 F HA 0.553 5.080 4.527 0.000 0.000 0.331 222 F C -0.006 175.878 175.800 0.140 0.000 1.085 222 F CA -1.181 56.898 58.000 0.131 0.000 1.028 222 F CB 1.058 40.183 39.000 0.209 0.000 1.177 222 F HN -0.070 nan 8.300 nan 0.000 0.487 223 L N 3.051 124.433 121.223 0.266 0.000 2.345 223 L HA 0.646 4.986 4.340 0.000 0.000 0.274 223 L C -0.604 176.346 176.870 0.133 0.000 0.999 223 L CA -0.497 54.311 54.840 -0.052 0.000 0.849 223 L CB 0.801 42.615 42.059 -0.408 0.000 1.220 223 L HN 0.797 nan 8.230 nan 0.000 0.422 224 A N 4.956 127.921 122.820 0.241 0.000 2.302 224 A HA 0.701 5.021 4.320 0.000 0.000 0.285 224 A C -1.202 176.415 177.584 0.055 0.000 1.105 224 A CA -0.214 51.855 52.037 0.052 0.000 0.816 224 A CB 0.814 19.905 19.000 0.152 0.000 1.067 224 A HN 0.731 nan 8.150 nan 0.000 0.489 225 Y N -2.177 117.885 120.300 -0.396 0.000 2.641 225 Y HA 0.703 5.253 4.550 0.000 0.000 0.333 225 Y C -0.444 175.260 175.900 -0.328 0.000 1.174 225 Y CA -0.800 57.129 58.100 -0.286 0.000 1.057 225 Y CB 0.707 38.999 38.460 -0.279 0.000 1.322 225 Y HN 0.965 nan 8.280 nan 0.000 0.457 226 A N 2.223 125.058 122.820 0.025 0.000 2.320 226 A HA 0.718 5.038 4.320 0.000 0.000 0.334 226 A C -1.163 176.324 177.584 -0.163 0.000 1.147 226 A CA -0.776 51.176 52.037 -0.142 0.000 0.820 226 A CB 1.698 20.568 19.000 -0.216 0.000 1.218 226 A HN 0.870 nan 8.150 nan 0.000 0.482 227 Q N 1.024 120.643 119.800 -0.301 0.000 2.310 227 Q HA 0.627 4.967 4.340 0.000 0.000 0.270 227 Q C -2.147 173.638 176.000 -0.358 0.000 1.025 227 Q CA -0.348 55.374 55.803 -0.134 0.000 0.772 227 Q CB 0.974 29.857 28.738 0.241 0.000 1.253 227 Q HN 0.545 nan 8.270 nan 0.000 0.450 228 F N 2.500 122.542 119.950 0.154 0.000 2.436 228 F HA 0.423 4.950 4.527 0.000 0.000 0.340 228 F C 0.325 176.268 175.800 0.239 0.000 1.113 228 F CA -0.925 57.146 58.000 0.117 0.000 1.022 228 F CB 1.474 40.456 39.000 -0.029 0.000 1.128 228 F HN 0.510 nan 8.300 nan 0.000 0.466 229 N N 2.305 121.214 118.700 0.348 0.000 2.511 229 N HA 0.176 4.916 4.740 0.000 0.000 0.249 229 N C -0.636 175.042 175.510 0.280 0.000 0.971 229 N CA -0.245 52.975 53.050 0.282 0.000 0.938 229 N CB 0.893 39.494 38.487 0.189 0.000 1.131 229 N HN 0.535 nan 8.380 nan 0.000 0.505 230 D N 1.768 122.358 120.400 0.317 0.000 2.358 230 D HA 0.104 4.744 4.640 0.000 0.000 0.224 230 D C 1.203 177.619 176.300 0.193 0.000 1.123 230 D CA 0.191 54.355 54.000 0.273 0.000 0.833 230 D CB 0.433 41.455 40.800 0.370 0.000 0.946 230 D HN 0.486 nan 8.370 nan 0.000 0.505 231 T N 0.496 115.146 114.554 0.159 0.000 2.620 231 T HA -0.218 4.132 4.350 0.000 0.000 0.267 231 T C 1.239 175.997 174.700 0.096 0.000 1.044 231 T CA 1.420 63.588 62.100 0.113 0.000 1.161 231 T CB -0.029 68.895 68.868 0.094 0.000 0.862 231 T HN 0.258 nan 8.240 nan 0.000 0.438 232 E N 0.282 120.538 120.200 0.094 0.000 2.451 232 E HA 0.203 4.553 4.350 0.000 0.000 0.194 232 E C -0.650 175.999 176.600 0.082 0.000 1.027 232 E CA -0.256 56.189 56.400 0.076 0.000 0.914 232 E CB 0.619 30.357 29.700 0.063 0.000 1.054 232 E HN 0.173 nan 8.360 nan 0.000 0.461 233 V N 3.477 123.453 119.914 0.103 0.000 2.470 233 V HA 0.106 4.226 4.120 0.000 0.000 0.276 233 V C -1.932 174.218 176.094 0.092 0.000 1.040 233 V CA -1.637 60.725 62.300 0.105 0.000 1.008 233 V CB 0.261 32.163 31.823 0.132 0.000 0.990 233 V HN 0.094 nan 8.190 nan 0.000 0.477 234 P HA 0.124 nan 4.420 nan 0.000 0.269 234 P C -0.595 176.743 177.300 0.062 0.000 1.211 234 P CA -0.025 63.114 63.100 0.064 0.000 0.781 234 P CB 0.470 32.209 31.700 0.064 0.000 0.877 235 L N 1.871 123.110 121.223 0.027 0.000 2.309 235 L HA 0.447 4.787 4.340 0.000 0.000 0.282 235 L C 0.358 177.190 176.870 -0.064 0.000 1.036 235 L CA -1.025 53.812 54.840 -0.005 0.000 0.806 235 L CB 1.144 43.192 42.059 -0.018 0.000 1.220 235 L HN 0.287 nan 8.230 nan 0.000 0.429 236 I N 3.118 123.608 120.570 -0.135 0.000 2.396 236 I HA 0.259 4.429 4.170 0.000 0.000 0.292 236 I C -0.289 175.681 176.117 -0.245 0.000 0.999 236 I CA 0.150 61.282 61.300 -0.279 0.000 1.310 236 I CB 0.964 38.585 38.000 -0.632 0.000 1.404 236 I HN 0.651 nan 8.210 nan 0.000 0.496 237 E N 7.183 127.258 120.200 -0.208 0.000 2.272 237 E HA 0.556 4.906 4.350 0.000 0.000 0.269 237 E C -1.836 174.696 176.600 -0.114 0.000 0.877 237 E CA -0.747 55.522 56.400 -0.218 0.000 0.755 237 E CB 1.895 31.492 29.700 -0.172 0.000 1.192 237 E HN 0.553 nan 8.360 nan 0.000 0.422 238 Y N -1.455 118.753 120.300 -0.153 0.000 2.581 238 Y HA 0.586 5.136 4.550 0.000 0.000 0.337 238 Y C -0.907 174.914 175.900 -0.131 0.000 1.108 238 Y CA -1.297 56.716 58.100 -0.145 0.000 1.033 238 Y CB 1.078 39.453 38.460 -0.142 0.000 1.318 238 Y HN 0.367 nan 8.280 nan 0.000 0.459 239 S N 2.145 117.837 115.700 -0.014 0.000 2.584 239 S HA 0.525 4.995 4.470 0.000 0.000 0.273 239 S C -1.346 173.091 174.600 -0.271 0.000 1.311 239 S CA -0.389 57.671 58.200 -0.233 0.000 1.034 239 S CB 0.655 63.605 63.200 -0.418 0.000 0.939 239 S HN 0.558 nan 8.310 nan 0.000 0.513 240 F N 1.628 121.288 119.950 -0.483 0.000 2.518 240 F HA 0.454 4.981 4.527 0.000 0.000 0.323 240 F C -0.332 175.203 175.800 -0.441 0.000 1.129 240 F CA -0.922 56.857 58.000 -0.368 0.000 0.920 240 F CB 0.996 39.941 39.000 -0.091 0.000 1.160 240 F HN 0.650 nan 8.300 nan 0.000 0.440 241 Y N 2.557 122.586 120.300 -0.452 0.000 2.436 241 Y HA 0.184 4.734 4.550 0.000 0.000 0.288 241 Y C 1.636 177.442 175.900 -0.157 0.000 1.112 241 Y CA 0.959 58.919 58.100 -0.234 0.000 1.220 241 Y CB -0.296 38.026 38.460 -0.230 0.000 1.073 241 Y HN 0.741 nan 8.280 nan 0.000 0.552 242 S N -0.343 115.256 115.700 -0.168 0.000 3.569 242 S HA -0.203 4.267 4.470 0.000 0.000 0.635 242 S C -0.801 173.837 174.600 0.062 0.000 2.396 242 S CA 0.127 58.376 58.200 0.082 0.000 2.612 242 S CB -1.190 62.142 63.200 0.220 0.000 0.331 242 S HN 0.450 nan 8.310 nan 0.000 1.764 243 D N 1.987 122.441 120.400 0.091 0.000 2.382 243 D HA 0.169 4.809 4.640 0.000 0.000 0.240 243 D C 1.482 177.810 176.300 0.046 0.000 1.146 243 D CA 0.553 54.590 54.000 0.061 0.000 0.897 243 D CB 0.270 41.108 40.800 0.063 0.000 1.197 243 D HN 0.714 nan 8.370 nan 0.000 0.432 244 E N -0.170 120.045 120.200 0.025 0.000 2.331 244 E HA -0.192 4.158 4.350 0.000 0.000 0.199 244 E C 1.089 177.700 176.600 0.019 0.000 1.008 244 E CA 1.056 57.462 56.400 0.011 0.000 0.843 244 E CB -0.066 29.631 29.700 -0.005 0.000 0.761 244 E HN 0.319 nan 8.360 nan 0.000 0.507 245 S N 0.807 116.525 115.700 0.030 0.000 2.469 245 S HA -0.068 4.402 4.470 0.000 0.000 0.238 245 S C 1.159 175.786 174.600 0.045 0.000 0.998 245 S CA 0.255 58.476 58.200 0.034 0.000 0.957 245 S CB -0.234 62.989 63.200 0.038 0.000 0.764 245 S HN 0.338 nan 8.310 nan 0.000 0.514 246 L N 2.788 124.046 121.223 0.058 0.000 2.295 246 L HA 0.231 4.571 4.340 0.000 0.000 0.288 246 L C 1.372 178.286 176.870 0.073 0.000 1.079 246 L CA 0.016 54.904 54.840 0.079 0.000 0.830 246 L CB 1.076 43.196 42.059 0.101 0.000 1.200 246 L HN 0.373 nan 8.230 nan 0.000 0.438 247 Q N 4.452 124.301 119.800 0.082 0.000 2.046 247 Q HA -0.125 4.215 4.340 0.000 0.000 0.200 247 Q C -0.547 175.422 176.000 -0.052 0.000 0.975 247 Q CA 1.500 57.319 55.803 0.026 0.000 0.836 247 Q CB 0.128 28.913 28.738 0.079 0.000 0.896 247 Q HN 0.625 nan 8.270 nan 0.000 0.428 248 Y N 0.822 121.139 120.300 0.028 0.000 2.341 248 Y HA 0.368 4.918 4.550 0.000 0.000 0.337 248 Y C -1.993 173.927 175.900 0.034 0.000 1.014 248 Y CA -2.892 55.224 58.100 0.027 0.000 1.111 248 Y CB 1.211 39.678 38.460 0.012 0.000 1.194 248 Y HN 0.191 nan 8.280 nan 0.000 0.462 249 P HA 0.082 nan 4.420 nan 0.000 0.272 249 P C -0.694 176.634 177.300 0.048 0.000 1.223 249 P CA -0.563 62.587 63.100 0.083 0.000 0.784 249 P CB 0.766 32.492 31.700 0.042 0.000 0.923 250 K N 0.858 121.267 120.400 0.014 0.000 2.118 250 K HA 0.339 4.659 4.320 0.000 0.000 0.267 250 K C -0.618 175.947 176.600 -0.058 0.000 0.991 250 K CA -0.305 55.987 56.287 0.009 0.000 0.916 250 K CB 0.552 33.088 32.500 0.060 0.000 1.041 250 K HN 0.334 nan 8.250 nan 0.000 0.455 251 T N 3.026 117.530 114.554 -0.082 0.000 2.853 251 T HA 0.183 4.533 4.350 0.000 0.000 0.317 251 T C -0.414 174.163 174.700 -0.205 0.000 1.059 251 T CA -0.590 61.425 62.100 -0.142 0.000 0.954 251 T CB 0.672 69.471 68.868 -0.116 0.000 0.994 251 T HN 0.264 nan 8.240 nan 0.000 0.479 252 V N 6.002 125.715 119.914 -0.336 0.000 2.585 252 V HA 0.309 4.429 4.120 0.000 0.000 0.296 252 V C 0.727 176.529 176.094 -0.487 0.000 1.035 252 V CA -0.198 61.832 62.300 -0.451 0.000 1.084 252 V CB -0.017 31.341 31.823 -0.775 0.000 0.953 252 V HN 0.765 nan 8.190 nan 0.000 0.483 253 R N 3.604 123.940 120.500 -0.274 0.000 2.575 253 R HA 0.825 5.165 4.340 0.000 0.000 0.293 253 R C -2.166 174.085 176.300 -0.082 0.000 0.983 253 R CA -0.652 55.328 56.100 -0.200 0.000 0.887 253 R CB 1.942 32.162 30.300 -0.133 0.000 1.184 253 R HN 0.372 nan 8.270 nan 0.000 0.445 254 V N 3.403 123.274 119.914 -0.071 0.000 2.686 254 V HA 0.400 4.520 4.120 0.000 0.000 0.306 254 V C -2.462 173.659 176.094 0.046 0.000 1.065 254 V CA -2.241 60.081 62.300 0.037 0.000 0.894 254 V CB 2.603 34.421 31.823 -0.009 0.000 1.004 254 V HN 0.727 nan 8.190 nan 0.000 0.424 255 P HA 0.270 nan 4.420 nan 0.000 0.271 255 P C -1.474 175.919 177.300 0.155 0.000 1.233 255 P CA 0.173 63.365 63.100 0.153 0.000 0.764 255 P CB -0.064 31.769 31.700 0.222 0.000 0.825 256 Y N 5.757 126.027 120.300 -0.049 0.000 2.287 256 Y HA 0.330 4.880 4.550 0.000 0.000 0.321 256 Y C -2.835 173.033 175.900 -0.054 0.000 1.173 256 Y CA -2.462 55.559 58.100 -0.133 0.000 1.124 256 Y CB 1.787 40.052 38.460 -0.324 0.000 1.201 256 Y HN 0.283 nan 8.280 nan 0.000 0.421 257 P HA 0.287 nan 4.420 nan 0.000 0.288 257 P C -0.802 176.509 177.300 0.019 0.000 1.363 257 P CA -0.222 62.892 63.100 0.024 0.000 0.837 257 P CB 1.170 32.874 31.700 0.005 0.000 0.981 258 K N 1.941 122.454 120.400 0.188 0.000 2.132 258 K HA 0.460 4.780 4.320 0.000 0.000 0.240 258 K C 0.659 177.341 176.600 0.137 0.000 1.036 258 K CA -0.599 55.817 56.287 0.215 0.000 0.888 258 K CB 0.433 33.087 32.500 0.258 0.000 1.071 258 K HN 0.430 nan 8.250 nan 0.000 0.502 259 A N 0.535 123.457 122.820 0.171 0.000 2.524 259 A HA 0.370 4.690 4.320 0.000 0.000 0.250 259 A C 1.122 178.734 177.584 0.046 0.000 1.078 259 A CA 0.737 52.863 52.037 0.148 0.000 0.761 259 A CB -0.876 18.290 19.000 0.276 0.000 1.012 259 A HN 0.866 nan 8.150 nan 0.000 0.500 260 G N 0.929 109.748 108.800 0.033 0.000 2.225 260 G HA2 0.079 4.039 3.960 0.000 0.000 0.254 260 G HA3 0.079 4.039 3.960 0.000 0.000 0.254 260 G C 0.755 175.663 174.900 0.014 0.000 0.988 260 G CA 0.736 45.831 45.100 -0.008 0.000 0.625 260 G HN 2.042 nan 8.290 nan 0.000 0.527 261 A N -0.471 122.372 122.820 0.039 0.000 2.296 261 A HA 0.756 5.076 4.320 0.000 0.000 0.276 261 A C 0.693 178.305 177.584 0.047 0.000 1.356 261 A CA 0.478 52.543 52.037 0.047 0.000 0.825 261 A CB 0.419 19.461 19.000 0.070 0.000 1.308 261 A HN 1.116 nan 8.150 nan 0.000 0.515 262 V N 2.011 121.957 119.914 0.053 0.000 2.406 262 V HA 0.168 4.288 4.120 0.000 0.000 0.272 262 V C -0.041 176.095 176.094 0.070 0.000 1.043 262 V CA -0.577 61.755 62.300 0.054 0.000 0.915 262 V CB 0.464 32.319 31.823 0.054 0.000 0.988 262 V HN 0.746 nan 8.190 nan 0.000 0.466 263 N N 6.252 124.993 118.700 0.069 0.000 2.463 263 N HA 0.447 5.187 4.740 0.000 0.000 0.270 263 N C -2.187 173.401 175.510 0.129 0.000 1.205 263 N CA -1.409 51.702 53.050 0.101 0.000 0.974 263 N CB 0.788 39.331 38.487 0.094 0.000 1.197 263 N HN 0.372 nan 8.380 nan 0.000 0.504 264 P HA 0.056 nan 4.420 nan 0.000 0.273 264 P C -0.364 177.071 177.300 0.226 0.000 1.258 264 P CA 0.075 63.322 63.100 0.247 0.000 0.802 264 P CB 0.219 32.135 31.700 0.359 0.000 1.040 265 T N -4.111 110.580 114.554 0.229 0.000 2.883 265 T HA 0.629 4.979 4.350 0.000 0.000 0.296 265 T C -0.857 173.946 174.700 0.171 0.000 1.117 265 T CA -0.834 61.349 62.100 0.138 0.000 1.006 265 T CB 1.450 70.367 68.868 0.081 0.000 1.191 265 T HN 0.359 nan 8.240 nan 0.000 0.508 266 V N 0.225 120.191 119.914 0.087 0.000 3.007 266 V HA 0.850 4.970 4.120 0.000 0.000 0.311 266 V C -1.691 174.427 176.094 0.040 0.000 1.120 266 V CA -0.768 61.541 62.300 0.015 0.000 0.980 266 V CB 2.177 34.029 31.823 0.048 0.000 1.033 266 V HN 1.111 nan 8.190 nan 0.000 0.429 267 K N 3.669 124.039 120.400 -0.050 0.000 2.512 267 K HA 0.599 4.919 4.320 0.000 0.000 0.263 267 K C -2.084 174.392 176.600 -0.207 0.000 0.966 267 K CA -0.484 55.748 56.287 -0.092 0.000 0.851 267 K CB 2.786 35.209 32.500 -0.128 0.000 1.395 267 K HN 0.546 nan 8.250 nan 0.000 0.440 268 F N 2.184 121.773 119.950 -0.603 0.000 2.539 268 F HA 0.557 5.084 4.527 0.000 0.000 0.318 268 F C -1.615 173.623 175.800 -0.937 0.000 1.135 268 F CA -0.587 57.075 58.000 -0.563 0.000 0.915 268 F CB 0.861 39.701 39.000 -0.267 0.000 1.176 268 F HN 0.374 nan 8.300 nan 0.000 0.440 269 F N 4.208 123.522 119.950 -1.061 0.000 2.593 269 F HA 0.797 5.324 4.527 0.000 0.000 0.320 269 F C -0.873 174.358 175.800 -0.949 0.000 1.060 269 F CA -1.261 56.204 58.000 -0.892 0.000 0.940 269 F CB 2.006 40.379 39.000 -1.046 0.000 1.268 269 F HN 0.108 nan 8.300 nan 0.000 0.475 270 V N 2.241 121.993 119.914 -0.271 0.000 2.709 270 V HA 0.655 4.775 4.120 0.000 0.000 0.308 270 V C -1.071 175.134 176.094 0.184 0.000 1.062 270 V CA -0.826 61.383 62.300 -0.152 0.000 0.901 270 V CB 2.035 33.571 31.823 -0.478 0.000 1.003 270 V HN 0.614 nan 8.190 nan 0.000 0.425 271 V N 3.804 123.891 119.914 0.288 0.000 2.914 271 V HA 0.537 4.657 4.120 0.000 0.000 0.314 271 V C -0.397 175.927 176.094 0.383 0.000 1.084 271 V CA -0.719 61.773 62.300 0.321 0.000 0.963 271 V CB 2.274 34.229 31.823 0.220 0.000 1.025 271 V HN 1.010 nan 8.190 nan 0.000 0.432 272 N N 1.942 120.805 118.700 0.272 0.000 2.437 272 N HA 0.234 4.974 4.740 0.000 0.000 0.259 272 N C 1.014 176.503 175.510 -0.034 0.000 0.983 272 N CA 0.287 53.365 53.050 0.048 0.000 0.937 272 N CB 1.457 39.933 38.487 -0.018 0.000 1.122 272 N HN 0.855 nan 8.380 nan 0.000 0.499 273 T N 0.135 114.654 114.554 -0.059 0.000 3.043 273 T HA -0.019 4.331 4.350 0.000 0.000 0.263 273 T C 0.893 175.519 174.700 -0.124 0.000 1.094 273 T CA 0.665 62.731 62.100 -0.056 0.000 1.127 273 T CB 0.072 68.996 68.868 0.095 0.000 0.905 273 T HN 0.376 nan 8.240 nan 0.000 0.490 274 D N 2.665 122.979 120.400 -0.143 0.000 2.144 274 D HA -0.046 4.594 4.640 0.000 0.000 0.200 274 D C 1.816 178.051 176.300 -0.110 0.000 0.978 274 D CA 1.556 55.477 54.000 -0.132 0.000 0.833 274 D CB -0.305 40.404 40.800 -0.152 0.000 0.961 274 D HN 0.651 nan 8.370 nan 0.000 0.470 275 S N 0.151 115.792 115.700 -0.097 0.000 2.582 275 S HA 0.235 4.705 4.470 0.000 0.000 0.249 275 S C 0.579 175.146 174.600 -0.054 0.000 1.072 275 S CA -0.456 57.713 58.200 -0.052 0.000 1.115 275 S CB -0.542 62.649 63.200 -0.015 0.000 0.790 275 S HN 0.062 nan 8.310 nan 0.000 0.459 276 L N 1.498 122.632 121.223 -0.147 0.000 2.331 276 L HA 0.338 4.678 4.340 0.000 0.000 0.278 276 L C 1.495 178.360 176.870 -0.007 0.000 1.106 276 L CA -0.432 54.283 54.840 -0.210 0.000 0.824 276 L CB 1.461 43.100 42.059 -0.700 0.000 1.142 276 L HN 0.385 nan 8.230 nan 0.000 0.443 277 S N 1.421 117.234 115.700 0.190 0.000 2.398 277 S HA -0.095 4.375 4.470 0.000 0.000 0.220 277 S C 1.333 176.123 174.600 0.316 0.000 1.046 277 S CA 0.886 59.222 58.200 0.227 0.000 0.953 277 S CB 0.075 63.362 63.200 0.146 0.000 0.856 277 S HN 0.990 nan 8.310 nan 0.000 0.506 278 S N -1.300 114.600 115.700 0.333 0.000 3.084 278 S HA -0.137 4.333 4.470 0.000 0.000 0.277 278 S C 0.645 175.286 174.600 0.069 0.000 1.295 278 S CA 1.043 59.297 58.200 0.088 0.000 1.170 278 S CB -2.149 61.026 63.200 -0.042 0.000 1.412 278 S HN 0.664 nan 8.310 nan 0.000 0.669 279 V N -0.119 119.854 119.914 0.097 0.000 3.408 279 V HA 0.356 4.476 4.120 0.000 0.000 0.263 279 V C 0.716 176.847 176.094 0.061 0.000 1.503 279 V CA 0.888 63.227 62.300 0.064 0.000 1.046 279 V CB 1.016 32.874 31.823 0.058 0.000 0.851 279 V HN 0.677 nan 8.190 nan 0.000 0.435 280 T N 0.909 115.514 114.554 0.086 0.000 2.893 280 T HA 0.422 4.772 4.350 0.000 0.000 0.293 280 T C -0.489 174.276 174.700 0.108 0.000 1.027 280 T CA -0.559 61.583 62.100 0.070 0.000 0.988 280 T CB 1.800 70.705 68.868 0.063 0.000 1.043 280 T HN 0.037 nan 8.240 nan 0.000 0.461 281 N N 1.568 120.316 118.700 0.079 0.000 2.329 281 N HA 0.287 5.027 4.740 0.000 0.000 0.237 281 N C 0.133 175.719 175.510 0.126 0.000 1.258 281 N CA -0.017 53.112 53.050 0.131 0.000 0.866 281 N CB 0.347 38.841 38.487 0.013 0.000 1.102 281 N HN 0.874 nan 8.380 nan 0.000 0.440 282 A N 1.208 124.123 122.820 0.158 0.000 2.401 282 A HA 0.280 4.600 4.320 0.000 0.000 0.259 282 A C 0.189 177.832 177.584 0.099 0.000 1.103 282 A CA -0.156 51.950 52.037 0.114 0.000 0.789 282 A CB 0.114 19.168 19.000 0.089 0.000 1.035 282 A HN 0.518 nan 8.150 nan 0.000 0.491 283 T N 3.151 117.766 114.554 0.101 0.000 2.727 283 T HA 0.384 4.734 4.350 0.000 0.000 0.298 283 T C 0.336 175.123 174.700 0.145 0.000 0.942 283 T CA 0.032 62.198 62.100 0.110 0.000 0.997 283 T CB 0.152 69.091 68.868 0.118 0.000 0.917 283 T HN 0.641 nan 8.240 nan 0.000 0.487 284 S N 3.708 119.485 115.700 0.128 0.000 2.610 284 S HA 0.506 4.976 4.470 0.000 0.000 0.273 284 S C 0.003 174.749 174.600 0.243 0.000 1.274 284 S CA -0.916 57.390 58.200 0.175 0.000 1.023 284 S CB 0.725 63.972 63.200 0.079 0.000 0.962 284 S HN 0.465 nan 8.310 nan 0.000 0.523 285 I N 2.068 122.824 120.570 0.310 0.000 2.378 285 I HA 0.315 4.485 4.170 0.000 0.000 0.291 285 I C 0.363 176.655 176.117 0.292 0.000 0.992 285 I CA -0.448 61.051 61.300 0.331 0.000 1.154 285 I CB 1.468 39.719 38.000 0.419 0.000 1.315 285 I HN 0.713 nan 8.210 nan 0.000 0.448 286 Q N 5.632 125.576 119.800 0.240 0.000 2.327 286 Q HA 0.429 4.769 4.340 0.000 0.000 0.254 286 Q C -0.950 175.020 176.000 -0.050 0.000 0.952 286 Q CA -0.179 55.568 55.803 -0.093 0.000 0.884 286 Q CB 1.161 29.812 28.738 -0.144 0.000 1.224 286 Q HN 0.528 nan 8.270 nan 0.000 0.422 287 I N 4.346 124.853 120.570 -0.105 0.000 2.460 287 I HA 0.158 4.328 4.170 0.000 0.000 0.277 287 I C 0.111 176.204 176.117 -0.040 0.000 1.057 287 I CA -0.696 60.602 61.300 -0.003 0.000 1.179 287 I CB 1.095 39.131 38.000 0.059 0.000 1.329 287 I HN 0.676 nan 8.210 nan 0.000 0.478 288 T N 2.488 116.983 114.554 -0.098 0.000 2.932 288 T HA 0.437 4.787 4.350 0.000 0.000 0.312 288 T C 0.556 175.049 174.700 -0.344 0.000 1.071 288 T CA -0.769 61.219 62.100 -0.187 0.000 1.128 288 T CB 1.297 70.069 68.868 -0.159 0.000 0.984 288 T HN 0.539 nan 8.240 nan 0.000 0.549 289 A N 3.518 125.950 122.820 -0.646 0.000 2.366 289 A HA 0.547 4.867 4.320 0.000 0.000 0.249 289 A C -2.082 175.053 177.584 -0.748 0.000 1.084 289 A CA -1.718 49.573 52.037 -1.244 0.000 0.794 289 A CB -0.868 17.070 19.000 -1.769 0.000 1.034 289 A HN 0.717 nan 8.150 nan 0.000 0.491 290 P HA 0.020 nan 4.420 nan 0.000 0.261 290 P C 0.842 177.924 177.300 -0.364 0.000 1.165 290 P CA 1.072 63.930 63.100 -0.403 0.000 0.759 290 P CB 0.530 32.045 31.700 -0.308 0.000 0.772 291 A N 3.817 126.488 122.820 -0.249 0.000 1.927 291 A HA -0.242 4.078 4.320 0.000 0.000 0.220 291 A C 2.089 179.554 177.584 -0.198 0.000 1.185 291 A CA 2.413 54.325 52.037 -0.208 0.000 0.639 291 A CB -1.587 17.326 19.000 -0.145 0.000 0.820 291 A HN 0.606 nan 8.150 nan 0.000 0.451 292 S N -1.154 114.453 115.700 -0.154 0.000 2.469 292 S HA -0.090 4.380 4.470 0.000 0.000 0.238 292 S C 1.681 176.195 174.600 -0.143 0.000 0.998 292 S CA 1.507 59.638 58.200 -0.116 0.000 0.957 292 S CB -0.269 62.931 63.200 0.000 0.000 0.764 292 S HN 0.441 nan 8.310 nan 0.000 0.514 293 M N 0.524 119.984 119.600 -0.232 0.000 2.466 293 M HA 0.355 4.835 4.480 0.000 0.000 0.265 293 M C 1.945 177.942 176.300 -0.505 0.000 1.122 293 M CA 0.649 55.752 55.300 -0.328 0.000 1.157 293 M CB -1.057 31.265 32.600 -0.464 0.000 1.352 293 M HN 0.317 nan 8.290 nan 0.000 0.464 294 L N 0.858 121.782 121.223 -0.498 0.000 2.275 294 L HA -0.130 4.210 4.340 0.000 0.000 0.215 294 L C 2.105 178.843 176.870 -0.220 0.000 1.119 294 L CA 0.565 55.147 54.840 -0.430 0.000 0.790 294 L CB -0.548 41.324 42.059 -0.313 0.000 0.919 294 L HN 0.275 nan 8.230 nan 0.000 0.443 295 I N -2.647 117.814 120.570 -0.183 0.000 3.241 295 I HA 0.150 4.320 4.170 0.000 0.000 0.280 295 I C 0.943 177.010 176.117 -0.084 0.000 1.320 295 I CA 0.517 61.746 61.300 -0.117 0.000 1.413 295 I CB -0.755 37.176 38.000 -0.116 0.000 1.060 295 I HN 0.037 nan 8.210 nan 0.000 0.500 296 G N -0.651 108.103 108.800 -0.077 0.000 2.554 296 G HA2 0.269 4.229 3.960 0.000 0.000 0.306 296 G HA3 0.269 4.229 3.960 0.000 0.000 0.306 296 G C -1.834 173.110 174.900 0.073 0.000 1.320 296 G CA -0.768 44.320 45.100 -0.019 0.000 0.800 296 G HN -0.007 nan 8.290 nan 0.000 0.481 297 D N 1.232 121.661 120.400 0.048 0.000 2.472 297 D HA 0.417 5.057 4.640 0.000 0.000 0.237 297 D C 0.463 176.789 176.300 0.043 0.000 1.141 297 D CA 0.940 54.954 54.000 0.024 0.000 0.875 297 D CB 0.356 41.102 40.800 -0.090 0.000 1.192 297 D HN 0.563 nan 8.370 nan 0.000 0.450 298 H N -0.749 118.178 119.070 -0.239 0.000 2.948 298 H HA 0.449 5.005 4.556 0.000 0.000 0.315 298 H C -1.476 173.709 175.328 -0.238 0.000 1.360 298 H CA -0.833 55.084 56.048 -0.219 0.000 1.125 298 H CB 0.218 29.982 29.762 0.004 0.000 1.844 298 H HN 0.312 nan 8.280 nan 0.000 0.529 299 Y N 0.165 120.649 120.300 0.306 0.000 2.477 299 Y HA 0.390 4.940 4.550 0.000 0.000 0.347 299 Y C -0.308 175.791 175.900 0.332 0.000 0.981 299 Y CA -1.073 57.195 58.100 0.280 0.000 1.033 299 Y CB 2.118 40.619 38.460 0.067 0.000 1.245 299 Y HN 0.524 nan 8.280 nan 0.000 0.455 300 L N 3.598 125.081 121.223 0.433 0.000 2.290 300 L HA 0.444 4.784 4.340 0.000 0.000 0.284 300 L C 0.403 177.277 176.870 0.006 0.000 1.078 300 L CA -0.042 54.719 54.840 -0.132 0.000 0.815 300 L CB 0.457 42.331 42.059 -0.307 0.000 1.162 300 L HN 1.003 nan 8.230 nan 0.000 0.435 301 C N 0.659 119.830 119.300 -0.215 0.000 3.882 301 C HA 0.598 5.058 4.460 0.000 0.000 0.340 301 C C 0.042 174.890 174.990 -0.237 0.000 1.563 301 C CA -0.186 58.637 59.018 -0.325 0.000 1.870 301 C CB -1.075 26.527 27.740 -0.230 0.000 2.795 301 C HN 0.871 nan 8.230 nan 0.000 0.692 302 D N 0.458 120.739 120.400 -0.198 0.000 2.837 302 D HA 0.540 5.180 4.640 0.000 0.000 0.220 302 D C -1.071 174.994 176.300 -0.391 0.000 1.236 302 D CA -0.185 53.729 54.000 -0.142 0.000 0.838 302 D CB 2.493 43.195 40.800 -0.163 0.000 1.647 302 D HN 0.569 nan 8.370 nan 0.000 0.486 303 V N 0.425 120.036 119.914 -0.505 0.000 2.638 303 V HA 0.913 5.033 4.120 0.000 0.000 0.306 303 V C -1.275 174.472 176.094 -0.579 0.000 1.052 303 V CA -0.235 61.589 62.300 -0.795 0.000 0.885 303 V CB 1.916 32.948 31.823 -1.319 0.000 0.999 303 V HN 0.609 nan 8.190 nan 0.000 0.424 304 T N 5.252 119.536 114.554 -0.450 0.000 3.031 304 T HA 0.423 4.773 4.350 0.000 0.000 0.305 304 T C -0.969 173.614 174.700 -0.195 0.000 0.985 304 T CA -0.125 61.857 62.100 -0.196 0.000 1.008 304 T CB 0.901 69.722 68.868 -0.079 0.000 1.005 304 T HN 0.811 nan 8.240 nan 0.000 0.444 305 W N 1.968 123.225 121.300 -0.073 0.000 2.190 305 W HA 0.481 5.141 4.660 0.000 0.000 0.330 305 W C 1.088 177.527 176.519 -0.133 0.000 1.299 305 W CA -0.155 57.145 57.345 -0.075 0.000 1.215 305 W CB 0.609 30.093 29.460 0.041 0.000 1.147 305 W HN 0.844 nan 8.180 nan 0.000 0.563 306 A N 1.577 124.351 122.820 -0.077 0.000 1.988 306 A HA 0.231 4.551 4.320 0.000 0.000 0.201 306 A C 0.792 178.329 177.584 -0.078 0.000 1.410 306 A CA 1.298 53.055 52.037 -0.466 0.000 0.832 306 A CB -0.294 17.821 19.000 -1.475 0.000 0.981 306 A HN 0.509 nan 8.150 nan 0.000 0.492 307 T N -5.162 109.436 114.554 0.074 0.000 2.669 307 T HA 0.356 4.706 4.350 0.000 0.000 0.283 307 T C 0.225 175.085 174.700 0.267 0.000 1.019 307 T CA -0.345 61.849 62.100 0.155 0.000 1.039 307 T CB 0.785 69.724 68.868 0.118 0.000 1.374 307 T HN -0.045 nan 8.240 nan 0.000 0.523 308 Q N 0.380 120.307 119.800 0.211 0.000 2.291 308 Q HA 0.018 4.358 4.340 0.000 0.000 0.206 308 Q C 0.786 177.016 176.000 0.383 0.000 0.976 308 Q CA 1.450 57.383 55.803 0.217 0.000 0.875 308 Q CB -0.061 28.773 28.738 0.160 0.000 0.927 308 Q HN 0.831 nan 8.270 nan 0.000 0.450 309 E N -0.273 120.168 120.200 0.401 0.000 2.876 309 E HA 0.209 4.559 4.350 0.000 0.000 0.208 309 E C -0.207 176.668 176.600 0.459 0.000 0.981 309 E CA -0.175 56.498 56.400 0.456 0.000 1.174 309 E CB 1.098 30.979 29.700 0.301 0.000 1.047 309 E HN -0.035 nan 8.360 nan 0.000 0.477 310 R N 1.642 122.402 120.500 0.432 0.000 2.575 310 R HA 0.582 4.922 4.340 0.000 0.000 0.293 310 R C -1.667 174.638 176.300 0.008 0.000 0.983 310 R CA -0.462 55.761 56.100 0.206 0.000 0.887 310 R CB 1.489 31.804 30.300 0.026 0.000 1.184 310 R HN 0.077 nan 8.270 nan 0.000 0.445 311 I N 2.829 123.242 120.570 -0.261 0.000 2.647 311 I HA 0.399 4.569 4.170 0.000 0.000 0.295 311 I C -1.200 174.607 176.117 -0.518 0.000 1.078 311 I CA -0.486 60.397 61.300 -0.696 0.000 1.048 311 I CB 2.343 39.496 38.000 -1.411 0.000 1.239 311 I HN 0.836 nan 8.210 nan 0.000 0.421 312 S N 7.464 122.852 115.700 -0.520 0.000 2.473 312 S HA 0.776 5.246 4.470 0.000 0.000 0.307 312 S C -1.285 173.023 174.600 -0.486 0.000 1.094 312 S CA -0.665 57.310 58.200 -0.374 0.000 1.070 312 S CB 1.707 64.800 63.200 -0.178 0.000 1.019 312 S HN 0.398 nan 8.310 nan 0.000 0.480 313 L N 2.400 123.348 121.223 -0.459 0.000 2.354 313 L HA 0.591 4.931 4.340 0.000 0.000 0.269 313 L C -0.195 176.401 176.870 -0.456 0.000 1.005 313 L CA -0.245 54.224 54.840 -0.619 0.000 0.819 313 L CB 1.886 43.509 42.059 -0.727 0.000 1.311 313 L HN 0.826 nan 8.230 nan 0.000 0.423 314 Q N 1.486 120.955 119.800 -0.553 0.000 2.327 314 Q HA 0.399 4.739 4.340 0.000 0.000 0.270 314 Q C -1.658 174.099 176.000 -0.404 0.000 1.022 314 Q CA -0.443 55.159 55.803 -0.336 0.000 0.773 314 Q CB 1.881 30.478 28.738 -0.236 0.000 1.251 314 Q HN 0.489 nan 8.270 nan 0.000 0.457 315 W N 2.590 123.844 121.300 -0.076 0.000 2.578 315 W HA 0.665 5.325 4.660 0.000 0.000 0.353 315 W C -0.666 175.882 176.519 0.047 0.000 1.088 315 W CA -0.644 56.708 57.345 0.011 0.000 1.235 315 W CB 0.998 30.463 29.460 0.008 0.000 1.362 315 W HN 0.399 nan 8.180 nan 0.000 0.592 316 L N 1.948 123.399 121.223 0.380 0.000 2.464 316 L HA 0.533 4.873 4.340 0.000 0.000 0.266 316 L C -0.404 176.655 176.870 0.316 0.000 0.965 316 L CA -1.091 53.924 54.840 0.291 0.000 0.833 316 L CB 1.476 43.678 42.059 0.237 0.000 1.296 316 L HN 0.416 nan 8.230 nan 0.000 0.405 317 R N 2.608 123.256 120.500 0.247 0.000 2.641 317 R HA 0.300 4.640 4.340 0.000 0.000 0.269 317 R C 1.050 177.416 176.300 0.110 0.000 1.074 317 R CA -0.304 55.892 56.100 0.160 0.000 1.133 317 R CB 0.657 31.042 30.300 0.142 0.000 1.029 317 R HN 0.661 nan 8.270 nan 0.000 0.488 318 R N 1.434 121.913 120.500 -0.034 0.000 2.105 318 R HA -0.083 4.257 4.340 0.000 0.000 0.239 318 R C 0.366 176.719 176.300 0.089 0.000 1.135 318 R CA 1.155 57.219 56.100 -0.061 0.000 0.967 318 R CB 0.158 30.382 30.300 -0.128 0.000 0.861 318 R HN 0.411 nan 8.270 nan 0.000 0.442 319 I N 2.746 123.351 120.570 0.058 0.000 2.347 319 I HA 0.004 4.174 4.170 0.000 0.000 0.294 319 I C 0.435 176.606 176.117 0.091 0.000 1.090 319 I CA 0.485 61.820 61.300 0.058 0.000 1.314 319 I CB 1.165 39.184 38.000 0.031 0.000 1.423 319 I HN 0.248 nan 8.210 nan 0.000 0.503 320 Q N 4.485 124.335 119.800 0.083 0.000 2.259 320 Q HA -0.022 4.318 4.340 0.000 0.000 0.228 320 Q C 0.509 176.578 176.000 0.114 0.000 0.909 320 Q CA 0.046 55.911 55.803 0.103 0.000 0.948 320 Q CB -0.183 28.576 28.738 0.035 0.000 1.041 320 Q HN 0.624 nan 8.270 nan 0.000 0.445 321 N N -0.752 118.016 118.700 0.114 0.000 2.234 321 N HA -0.015 4.725 4.740 0.000 0.000 0.227 321 N C -1.082 174.524 175.510 0.159 0.000 1.151 321 N CA -0.221 52.887 53.050 0.098 0.000 0.865 321 N CB 0.245 38.766 38.487 0.055 0.000 1.066 321 N HN 0.168 nan 8.380 nan 0.000 0.515 322 Y N 0.771 121.089 120.300 0.031 0.000 2.401 322 Y HA 0.534 5.084 4.550 0.000 0.000 0.330 322 Y C -1.196 174.732 175.900 0.047 0.000 1.071 322 Y CA -0.796 57.320 58.100 0.027 0.000 1.049 322 Y CB 1.467 39.935 38.460 0.013 0.000 1.239 322 Y HN 0.162 nan 8.280 nan 0.000 0.437 323 S N 4.223 119.763 115.700 -0.266 0.000 2.618 323 S HA 0.929 5.399 4.470 0.000 0.000 0.277 323 S C -2.199 172.266 174.600 -0.225 0.000 1.138 323 S CA -0.683 57.453 58.200 -0.107 0.000 0.844 323 S CB 1.971 65.155 63.200 -0.027 0.000 1.127 323 S HN 0.549 nan 8.310 nan 0.000 0.474 324 V N 2.478 122.368 119.914 -0.039 0.000 2.668 324 V HA 0.506 4.626 4.120 0.000 0.000 0.304 324 V C -0.635 175.488 176.094 0.048 0.000 1.071 324 V CA -0.571 61.716 62.300 -0.022 0.000 0.894 324 V CB 1.841 33.684 31.823 0.033 0.000 1.008 324 V HN 1.033 nan 8.190 nan 0.000 0.425 325 M N 3.728 123.328 119.600 0.000 0.000 2.238 325 M HA 0.535 5.015 4.480 0.000 0.000 0.350 325 M C -1.120 175.192 176.300 0.019 0.000 1.138 325 M CA -0.178 55.108 55.300 -0.024 0.000 1.040 325 M CB 1.202 33.740 32.600 -0.102 0.000 1.639 325 M HN 0.636 nan 8.290 nan 0.000 0.451 326 D N 4.349 124.755 120.400 0.008 0.000 2.272 326 D HA 0.606 5.246 4.640 0.000 0.000 0.247 326 D C -1.161 175.107 176.300 -0.054 0.000 0.990 326 D CA -0.109 53.889 54.000 -0.004 0.000 0.931 326 D CB 1.874 42.691 40.800 0.027 0.000 1.195 326 D HN 0.595 nan 8.370 nan 0.000 0.477 327 I N 1.547 122.100 120.570 -0.028 0.000 2.468 327 I HA 0.258 4.428 4.170 0.000 0.000 0.285 327 I C -0.814 175.291 176.117 -0.019 0.000 1.039 327 I CA -0.542 60.734 61.300 -0.039 0.000 1.074 327 I CB 1.588 39.611 38.000 0.039 0.000 1.228 327 I HN 0.178 nan 8.210 nan 0.000 0.436 328 c N 3.712 122.291 118.600 -0.035 0.000 2.417 328 c HA 0.581 5.151 4.570 0.000 0.000 0.324 328 c C -0.316 173.908 174.090 0.223 0.000 1.240 328 c CA -0.670 55.711 56.329 0.088 0.000 1.632 328 c CB 1.161 43.737 42.510 0.110 0.000 2.241 328 c HN 0.570 nan 8.230 nan 0.000 0.499 329 D N 0.240 120.758 120.400 0.197 0.000 2.252 329 D HA 0.305 4.945 4.640 0.000 0.000 0.245 329 D C -0.599 175.658 176.300 -0.072 0.000 1.009 329 D CA -0.239 53.838 54.000 0.128 0.000 0.870 329 D CB 0.881 41.702 40.800 0.036 0.000 1.251 329 D HN 0.553 nan 8.370 nan 0.000 0.460 330 Y N 1.498 121.456 120.300 -0.570 0.000 2.526 330 Y HA 0.157 4.707 4.550 0.000 0.000 0.330 330 Y C 0.004 175.626 175.900 -0.463 0.000 1.156 330 Y CA -0.098 57.368 58.100 -1.055 0.000 1.419 330 Y CB 0.582 38.466 38.460 -0.960 0.000 1.250 330 Y HN 0.143 nan 8.280 nan 0.000 0.540 331 D N 5.449 125.226 120.400 -1.038 0.000 2.493 331 D HA 0.101 4.741 4.640 0.000 0.000 0.235 331 D C 0.963 176.721 176.300 -0.903 0.000 1.117 331 D CA -0.184 53.398 54.000 -0.696 0.000 0.930 331 D CB 0.444 41.010 40.800 -0.389 0.000 1.010 331 D HN 0.759 nan 8.370 nan 0.000 0.514 332 E N 1.635 121.361 120.200 -0.790 0.000 2.164 332 E HA -0.338 4.012 4.350 0.000 0.000 0.233 332 E C 1.726 178.153 176.600 -0.288 0.000 1.073 332 E CA 2.606 58.733 56.400 -0.456 0.000 0.941 332 E CB -0.365 29.234 29.700 -0.169 0.000 0.820 332 E HN 0.453 nan 8.360 nan 0.000 0.486 333 S N -0.858 114.719 115.700 -0.205 0.000 2.374 333 S HA -0.231 4.239 4.470 0.000 0.000 0.227 333 S C 2.125 176.657 174.600 -0.113 0.000 1.037 333 S CA 2.334 60.461 58.200 -0.122 0.000 1.024 333 S CB -0.756 62.388 63.200 -0.093 0.000 0.861 333 S HN 0.383 nan 8.310 nan 0.000 0.456 334 S N -0.227 115.379 115.700 -0.157 0.000 2.503 334 S HA 0.446 4.916 4.470 0.000 0.000 0.217 334 S C 1.732 176.283 174.600 -0.082 0.000 0.999 334 S CA 0.698 58.836 58.200 -0.103 0.000 0.914 334 S CB -0.533 62.609 63.200 -0.097 0.000 0.782 334 S HN 1.659 nan 8.310 nan 0.000 0.520 335 G N 1.464 110.163 108.800 -0.169 0.000 2.168 335 G HA2 -0.280 3.680 3.960 0.000 0.000 0.263 335 G HA3 -0.280 3.680 3.960 0.000 0.000 0.263 335 G C 0.264 175.209 174.900 0.075 0.000 0.977 335 G CA 0.545 45.639 45.100 -0.011 0.000 0.659 335 G HN 0.607 nan 8.290 nan 0.000 0.533 336 R N -1.826 118.627 120.500 -0.078 0.000 2.843 336 R HA 0.653 4.993 4.340 0.000 0.000 0.232 336 R C -0.713 175.514 176.300 -0.122 0.000 1.305 336 R CA -0.780 55.343 56.100 0.037 0.000 1.096 336 R CB 0.686 31.021 30.300 0.060 0.000 1.455 336 R HN 0.150 nan 8.270 nan 0.000 0.520 337 W N 0.458 121.798 121.300 0.066 0.000 2.529 337 W HA 0.377 5.037 4.660 0.000 0.000 0.321 337 W C -0.124 176.388 176.519 -0.012 0.000 1.047 337 W CA -0.359 57.008 57.345 0.036 0.000 1.216 337 W CB 0.983 30.460 29.460 0.028 0.000 1.357 337 W HN 0.380 nan 8.180 nan 0.000 0.489 338 N N 2.939 121.724 118.700 0.142 0.000 2.518 338 N HA 0.365 5.105 4.740 0.000 0.000 0.254 338 N C -1.359 174.186 175.510 0.060 0.000 0.979 338 N CA -0.480 52.604 53.050 0.057 0.000 0.930 338 N CB 0.615 39.093 38.487 -0.016 0.000 1.152 338 N HN 0.380 nan 8.380 nan 0.000 0.505 339 c N 5.252 123.876 118.600 0.040 0.000 2.135 339 c HA 0.283 4.853 4.570 0.000 0.000 0.345 339 c C 0.748 174.832 174.090 -0.009 0.000 1.067 339 c CA -1.019 55.319 56.329 0.014 0.000 1.517 339 c CB -1.441 41.066 42.510 -0.005 0.000 1.923 339 c HN 0.602 nan 8.230 nan 0.000 0.466 340 L N 3.330 124.551 121.223 -0.005 0.000 2.559 340 L HA -0.007 4.333 4.340 0.000 0.000 0.274 340 L C 1.470 178.321 176.870 -0.032 0.000 1.205 340 L CA 0.764 55.594 54.840 -0.017 0.000 0.907 340 L CB 0.831 42.886 42.059 -0.008 0.000 1.153 340 L HN 0.613 nan 8.230 nan 0.000 0.490 341 V N 4.094 123.982 119.914 -0.043 0.000 2.407 341 V HA -0.258 3.862 4.120 0.000 0.000 0.248 341 V C 2.385 178.436 176.094 -0.072 0.000 1.055 341 V CA 1.636 63.902 62.300 -0.058 0.000 1.049 341 V CB -0.919 30.871 31.823 -0.055 0.000 0.662 341 V HN 0.974 nan 8.190 nan 0.000 0.455 342 A N 0.204 122.988 122.820 -0.059 0.000 2.186 342 A HA -0.170 4.150 4.320 0.000 0.000 0.219 342 A C 2.200 179.728 177.584 -0.094 0.000 1.159 342 A CA 1.463 53.460 52.037 -0.066 0.000 0.680 342 A CB -0.462 18.515 19.000 -0.039 0.000 0.787 342 A HN 0.620 nan 8.150 nan 0.000 0.467 343 R N -0.775 119.674 120.500 -0.086 0.000 2.468 343 R HA 0.170 4.510 4.340 0.000 0.000 0.280 343 R C -0.040 176.149 176.300 -0.185 0.000 0.963 343 R CA -0.205 55.845 56.100 -0.083 0.000 1.083 343 R CB 0.290 30.608 30.300 0.031 0.000 1.200 343 R HN 0.590 nan 8.270 nan 0.000 0.541 344 Q N 0.440 120.102 119.800 -0.230 0.000 2.354 344 Q HA 0.128 4.468 4.340 0.000 0.000 0.244 344 Q C -0.828 174.912 176.000 -0.433 0.000 0.969 344 Q CA 0.328 56.012 55.803 -0.197 0.000 0.885 344 Q CB 0.893 29.563 28.738 -0.113 0.000 1.241 344 Q HN 0.227 nan 8.270 nan 0.000 0.461 345 H N 0.748 119.784 119.070 -0.058 0.000 2.906 345 H HA 0.298 4.854 4.556 0.000 0.000 0.324 345 H C -1.050 174.208 175.328 -0.116 0.000 0.973 345 H CA -0.579 55.426 56.048 -0.072 0.000 1.321 345 H CB 0.667 30.361 29.762 -0.115 0.000 1.535 345 H HN 0.375 nan 8.280 nan 0.000 0.518 346 I N 2.112 122.660 120.570 -0.037 0.000 2.581 346 I HA 0.167 4.337 4.170 0.000 0.000 0.288 346 I C 0.343 176.378 176.117 -0.137 0.000 1.047 346 I CA 0.026 61.215 61.300 -0.185 0.000 1.374 346 I CB 0.849 38.730 38.000 -0.199 0.000 1.423 346 I HN 0.639 nan 8.210 nan 0.000 0.549 347 E N 6.788 126.843 120.200 -0.242 0.000 2.278 347 E HA 0.675 5.025 4.350 0.000 0.000 0.272 347 E C -1.319 175.173 176.600 -0.180 0.000 0.890 347 E CA -0.656 55.665 56.400 -0.132 0.000 0.770 347 E CB 1.298 30.945 29.700 -0.089 0.000 1.212 347 E HN 0.601 nan 8.360 nan 0.000 0.415 348 M N 1.094 120.643 119.600 -0.084 0.000 2.683 348 M HA 0.687 5.167 4.480 0.000 0.000 0.274 348 M C -1.323 174.975 176.300 -0.004 0.000 1.272 348 M CA -0.915 54.366 55.300 -0.032 0.000 0.833 348 M CB 2.198 34.819 32.600 0.036 0.000 1.708 348 M HN 0.292 nan 8.290 nan 0.000 0.463 349 S N -0.977 114.724 115.700 0.003 0.000 2.564 349 S HA 0.751 5.221 4.470 0.000 0.000 0.274 349 S C -0.191 174.392 174.600 -0.029 0.000 1.124 349 S CA 0.160 58.340 58.200 -0.034 0.000 0.869 349 S CB 2.104 65.240 63.200 -0.107 0.000 1.105 349 S HN 0.923 nan 8.310 nan 0.000 0.472 350 T N -0.597 113.933 114.554 -0.041 0.000 2.975 350 T HA 0.131 4.481 4.350 0.000 0.000 0.261 350 T C 1.356 176.019 174.700 -0.061 0.000 0.984 350 T CA 0.583 62.661 62.100 -0.036 0.000 0.911 350 T CB -0.267 68.594 68.868 -0.011 0.000 1.127 350 T HN 0.612 nan 8.240 nan 0.000 0.514 351 T N 0.131 114.634 114.554 -0.086 0.000 3.014 351 T HA 0.506 4.856 4.350 0.000 0.000 0.263 351 T C 1.353 175.863 174.700 -0.317 0.000 1.078 351 T CA 0.642 62.687 62.100 -0.092 0.000 1.135 351 T CB 0.098 69.000 68.868 0.056 0.000 0.895 351 T HN 0.623 nan 8.240 nan 0.000 0.480 352 G N 0.502 108.937 108.800 -0.609 0.000 2.929 352 G HA2 0.476 4.436 3.960 0.000 0.000 0.123 352 G HA3 0.476 4.436 3.960 0.000 0.000 0.123 352 G C -1.764 172.884 174.900 -0.421 0.000 1.212 352 G CA -0.500 44.140 45.100 -0.768 0.000 1.238 352 G HN 0.484 nan 8.290 nan 0.000 0.617 353 W N 0.240 121.261 121.300 -0.465 0.000 2.655 353 W HA 0.786 5.446 4.660 0.000 0.000 0.358 353 W C -0.538 175.916 176.519 -0.107 0.000 1.100 353 W CA -1.430 55.781 57.345 -0.222 0.000 1.195 353 W CB 1.203 30.521 29.460 -0.238 0.000 1.403 353 W HN 0.278 nan 8.180 nan 0.000 0.589 354 V N 3.832 123.811 119.914 0.108 0.000 2.488 354 V HA 0.622 4.743 4.120 0.000 0.000 0.277 354 V C 0.868 177.039 176.094 0.129 0.000 1.046 354 V CA 0.781 63.108 62.300 0.045 0.000 0.986 354 V CB -0.153 31.696 31.823 0.042 0.000 0.989 354 V HN 1.308 nan 8.190 nan 0.000 0.475 355 G N 5.285 114.108 108.800 0.038 0.000 2.746 355 G HA2 -0.176 3.784 3.960 0.000 0.000 0.685 355 G HA3 -0.176 3.784 3.960 0.000 0.000 0.685 355 G C 0.341 175.310 174.900 0.115 0.000 1.350 355 G CA 0.039 45.186 45.100 0.078 0.000 0.837 355 G HN 0.602 nan 8.290 nan 0.000 0.564 356 R N -0.608 119.930 120.500 0.062 0.000 2.062 356 R HA 0.092 4.432 4.340 0.000 0.000 0.231 356 R C 2.005 178.168 176.300 -0.229 0.000 1.136 356 R CA 2.260 58.310 56.100 -0.082 0.000 0.948 356 R CB -0.123 30.103 30.300 -0.124 0.000 0.845 356 R HN 0.508 nan 8.270 nan 0.000 0.430 357 F N -0.989 119.103 119.950 0.238 0.000 2.699 357 F HA 0.241 4.768 4.527 0.000 0.000 0.295 357 F C 0.751 176.573 175.800 0.037 0.000 1.052 357 F CA -0.354 57.725 58.000 0.131 0.000 1.239 357 F CB 0.533 39.601 39.000 0.113 0.000 1.018 357 F HN -0.140 nan 8.300 nan 0.000 0.627 358 R N -0.392 120.239 120.500 0.219 0.000 2.781 358 R HA 0.532 4.872 4.340 0.000 0.000 0.269 358 R C -3.202 173.152 176.300 0.089 0.000 1.025 358 R CA -2.064 54.088 56.100 0.087 0.000 0.914 358 R CB 0.136 30.438 30.300 0.003 0.000 1.236 358 R HN -0.328 nan 8.270 nan 0.000 0.465 359 P HA -0.028 nan 4.420 nan 0.000 0.266 359 P C -0.334 176.982 177.300 0.025 0.000 1.193 359 P CA 0.113 63.225 63.100 0.021 0.000 0.770 359 P CB 0.566 32.251 31.700 -0.024 0.000 0.836 360 S N 0.958 116.679 115.700 0.035 0.000 2.608 360 S HA 0.295 4.765 4.470 0.000 0.000 0.261 360 S C -0.126 174.477 174.600 0.005 0.000 1.314 360 S CA -0.639 57.596 58.200 0.058 0.000 0.992 360 S CB 0.069 63.324 63.200 0.091 0.000 0.935 360 S HN 0.377 nan 8.310 nan 0.000 0.564 361 E N 0.633 120.845 120.200 0.020 0.000 2.191 361 E HA 0.523 4.873 4.350 0.000 0.000 0.278 361 E C -2.751 173.778 176.600 -0.120 0.000 0.972 361 E CA -2.683 53.669 56.400 -0.079 0.000 0.804 361 E CB -0.116 29.529 29.700 -0.093 0.000 1.110 361 E HN 0.372 nan 8.360 nan 0.000 0.394 362 P HA 0.084 nan 4.420 nan 0.000 0.275 362 P C -0.717 176.408 177.300 -0.292 0.000 1.228 362 P CA -0.106 62.818 63.100 -0.295 0.000 0.786 362 P CB 0.567 31.766 31.700 -0.836 0.000 0.927 363 H N 2.366 121.454 119.070 0.031 0.000 2.718 363 H HA 0.282 4.838 4.556 0.000 0.000 0.295 363 H C -0.015 175.438 175.328 0.208 0.000 1.051 363 H CA -0.342 55.805 56.048 0.165 0.000 1.260 363 H CB 0.211 30.099 29.762 0.210 0.000 1.403 363 H HN 0.308 nan 8.280 nan 0.000 0.488 364 F N 1.600 121.748 119.950 0.330 0.000 2.403 364 F HA 0.076 4.603 4.527 0.000 0.000 0.320 364 F C 1.641 177.641 175.800 0.332 0.000 1.176 364 F CA -0.318 57.880 58.000 0.330 0.000 1.206 364 F CB 0.846 39.970 39.000 0.207 0.000 1.235 364 F HN 0.344 nan 8.300 nan 0.000 0.565 365 T N -0.163 114.702 114.554 0.517 0.000 2.816 365 T HA 0.195 4.545 4.350 0.000 0.000 0.282 365 T C 1.000 175.890 174.700 0.317 0.000 0.993 365 T CA -0.797 61.536 62.100 0.389 0.000 0.994 365 T CB 0.874 69.951 68.868 0.350 0.000 1.025 365 T HN 0.560 nan 8.240 nan 0.000 0.529 366 L N 1.267 122.633 121.223 0.239 0.000 2.013 366 L HA -0.128 4.212 4.340 0.000 0.000 0.212 366 L C 2.169 179.143 176.870 0.173 0.000 1.073 366 L CA 2.485 57.439 54.840 0.190 0.000 0.753 366 L CB -0.940 41.209 42.059 0.150 0.000 0.890 366 L HN 0.938 nan 8.230 nan 0.000 0.432 367 D N -1.258 119.244 120.400 0.170 0.000 2.312 367 D HA 0.032 4.672 4.640 0.000 0.000 0.211 367 D C 1.617 178.012 176.300 0.158 0.000 0.964 367 D CA 0.856 54.944 54.000 0.147 0.000 0.877 367 D CB -0.580 40.299 40.800 0.131 0.000 0.924 367 D HN 0.444 nan 8.370 nan 0.000 0.515 368 G N 0.442 109.374 108.800 0.220 0.000 2.147 368 G HA2 -0.303 3.657 3.960 0.000 0.000 0.244 368 G HA3 -0.303 3.657 3.960 0.000 0.000 0.244 368 G C 0.682 175.755 174.900 0.288 0.000 1.005 368 G CA 0.321 45.565 45.100 0.240 0.000 0.713 368 G HN 0.409 nan 8.290 nan 0.000 0.515 369 N N -0.115 118.745 118.700 0.266 0.000 2.299 369 N HA 0.145 4.885 4.740 0.000 0.000 0.187 369 N C 0.780 176.414 175.510 0.207 0.000 1.099 369 N CA 1.028 54.209 53.050 0.218 0.000 0.867 369 N CB 0.598 39.169 38.487 0.139 0.000 0.974 369 N HN 0.780 nan 8.380 nan 0.000 0.477 370 S N 0.075 115.921 115.700 0.243 0.000 2.618 370 S HA 0.783 5.253 4.470 0.000 0.000 0.277 370 S C -0.900 173.773 174.600 0.122 0.000 1.138 370 S CA -0.963 57.243 58.200 0.011 0.000 0.844 370 S CB 1.894 64.969 63.200 -0.208 0.000 1.127 370 S HN 0.172 nan 8.310 nan 0.000 0.474 371 F N -1.925 117.842 119.950 -0.305 0.000 2.668 371 F HA 0.803 5.330 4.527 0.000 0.000 0.309 371 F C -2.143 173.497 175.800 -0.266 0.000 1.117 371 F CA -1.535 56.255 58.000 -0.350 0.000 0.951 371 F CB 0.636 39.054 39.000 -0.971 0.000 1.323 371 F HN 0.570 nan 8.300 nan 0.000 0.451 372 Y N 1.289 121.726 120.300 0.229 0.000 2.387 372 Y HA 0.692 5.242 4.550 0.000 0.000 0.336 372 Y C -0.208 175.859 175.900 0.280 0.000 1.067 372 Y CA -0.863 57.363 58.100 0.210 0.000 1.114 372 Y CB 2.032 40.573 38.460 0.135 0.000 1.208 372 Y HN 0.745 nan 8.280 nan 0.000 0.458 373 K N 2.846 123.480 120.400 0.389 0.000 2.543 373 K HA 0.506 4.826 4.320 0.000 0.000 0.255 373 K C -1.768 174.985 176.600 0.254 0.000 0.934 373 K CA -0.488 55.989 56.287 0.317 0.000 0.810 373 K CB 1.311 33.971 32.500 0.267 0.000 1.315 373 K HN 0.732 nan 8.250 nan 0.000 0.433 374 I N 6.918 127.610 120.570 0.202 0.000 2.406 374 I HA 0.185 4.355 4.170 0.000 0.000 0.293 374 I C 0.288 176.500 176.117 0.157 0.000 1.101 374 I CA -0.283 61.113 61.300 0.161 0.000 1.334 374 I CB -0.206 37.870 38.000 0.126 0.000 1.421 374 I HN 0.511 nan 8.210 nan 0.000 0.513 375 I N 2.770 123.467 120.570 0.212 0.000 2.957 375 I HA 0.575 4.745 4.170 0.000 0.000 0.310 375 I C 0.005 176.258 176.117 0.227 0.000 1.063 375 I CA -0.580 60.842 61.300 0.203 0.000 1.033 375 I CB 2.151 40.285 38.000 0.224 0.000 1.230 375 I HN 0.351 nan 8.210 nan 0.000 0.447 376 S N 2.767 118.543 115.700 0.126 0.000 2.537 376 S HA 0.337 4.807 4.470 0.000 0.000 0.275 376 S C -0.191 174.458 174.600 0.082 0.000 1.272 376 S CA -0.653 57.564 58.200 0.028 0.000 1.050 376 S CB -0.133 63.023 63.200 -0.074 0.000 0.961 376 S HN 0.948 nan 8.310 nan 0.000 0.496 377 N N 2.725 121.369 118.700 -0.093 0.000 2.495 377 N HA 0.220 4.960 4.740 0.000 0.000 0.294 377 N C 0.734 176.169 175.510 -0.125 0.000 1.276 377 N CA -0.635 52.252 53.050 -0.271 0.000 0.973 377 N CB 0.161 38.071 38.487 -0.962 0.000 1.143 377 N HN 0.579 nan 8.380 nan 0.000 0.589 378 E N -0.149 119.972 120.200 -0.131 0.000 2.114 378 E HA -0.238 4.112 4.350 0.000 0.000 0.199 378 E C 1.036 177.598 176.600 -0.063 0.000 1.008 378 E CA 1.840 58.201 56.400 -0.065 0.000 0.810 378 E CB -0.118 29.541 29.700 -0.067 0.000 0.739 378 E HN 0.701 nan 8.360 nan 0.000 0.456 379 E N -1.450 118.711 120.200 -0.065 0.000 2.444 379 E HA 0.152 4.502 4.350 0.000 0.000 0.191 379 E C 0.694 177.275 176.600 -0.032 0.000 1.041 379 E CA 0.533 56.926 56.400 -0.011 0.000 0.883 379 E CB 0.370 30.097 29.700 0.045 0.000 1.024 379 E HN 0.286 nan 8.360 nan 0.000 0.470 380 G N 0.942 109.674 108.800 -0.113 0.000 2.149 380 G HA2 -0.281 3.679 3.960 0.000 0.000 0.235 380 G HA3 -0.281 3.679 3.960 0.000 0.000 0.235 380 G C -0.575 174.057 174.900 -0.446 0.000 1.018 380 G CA -0.041 44.897 45.100 -0.271 0.000 0.728 380 G HN 0.292 nan 8.290 nan 0.000 0.508 381 Y N -0.448 119.734 120.300 -0.198 0.000 2.387 381 Y HA 0.660 5.210 4.550 0.000 0.000 0.336 381 Y C 1.092 176.861 175.900 -0.218 0.000 1.067 381 Y CA -0.938 57.038 58.100 -0.206 0.000 1.114 381 Y CB 1.211 39.571 38.460 -0.167 0.000 1.208 381 Y HN 0.110 nan 8.280 nan 0.000 0.458 382 R N 3.460 123.842 120.500 -0.197 0.000 2.210 382 R HA 0.297 4.637 4.340 0.000 0.000 0.338 382 R C -0.866 175.177 176.300 -0.428 0.000 1.062 382 R CA -0.070 55.912 56.100 -0.198 0.000 0.902 382 R CB 0.069 30.289 30.300 -0.133 0.000 1.050 382 R HN 0.659 nan 8.270 nan 0.000 0.461 383 H N 1.827 120.839 119.070 -0.096 0.000 2.949 383 H HA 0.325 4.881 4.556 0.000 0.000 0.356 383 H C -0.094 175.286 175.328 0.087 0.000 1.212 383 H CA -0.963 55.008 56.048 -0.128 0.000 1.136 383 H CB 1.708 31.268 29.762 -0.337 0.000 1.869 383 H HN 0.298 nan 8.280 nan 0.000 0.556 384 I N 1.344 121.993 120.570 0.133 0.000 2.471 384 I HA 0.005 4.176 4.170 0.000 0.000 0.286 384 I C 0.452 176.646 176.117 0.127 0.000 1.079 384 I CA 0.266 61.619 61.300 0.088 0.000 1.398 384 I CB 0.279 38.223 38.000 -0.093 0.000 1.403 384 I HN 0.171 nan 8.210 nan 0.000 0.530 385 c N 6.664 125.286 118.600 0.036 0.000 2.470 385 c HA 0.478 5.048 4.570 0.000 0.000 0.341 385 c C -0.552 173.408 174.090 -0.217 0.000 1.190 385 c CA -0.425 55.710 56.329 -0.323 0.000 1.904 385 c CB 1.332 43.472 42.510 -0.617 0.000 2.354 385 c HN 0.644 nan 8.230 nan 0.000 0.509 386 Y N 3.336 123.246 120.300 -0.651 0.000 2.376 386 Y HA 0.649 5.199 4.550 0.000 0.000 0.326 386 Y C -1.128 174.273 175.900 -0.832 0.000 0.970 386 Y CA -1.115 56.569 58.100 -0.693 0.000 1.248 386 Y CB 0.147 38.308 38.460 -0.498 0.000 1.117 386 Y HN 0.590 nan 8.280 nan 0.000 0.476 387 F N 3.682 122.849 119.950 -1.305 0.000 2.470 387 F HA 0.524 5.052 4.527 0.000 0.000 0.329 387 F C -0.043 175.023 175.800 -1.223 0.000 1.072 387 F CA -0.775 56.468 58.000 -1.262 0.000 0.989 387 F CB 1.323 39.309 39.000 -1.691 0.000 1.193 387 F HN 0.275 nan 8.300 nan 0.000 0.481 388 Q N 2.812 122.301 119.800 -0.518 0.000 2.256 388 Q HA 0.323 4.663 4.340 0.000 0.000 0.257 388 Q C 1.275 177.281 176.000 0.010 0.000 0.936 388 Q CA -0.392 55.250 55.803 -0.269 0.000 0.903 388 Q CB 1.857 30.492 28.738 -0.172 0.000 1.263 388 Q HN 0.852 nan 8.270 nan 0.000 0.440 389 I N -1.224 119.436 120.570 0.150 0.000 2.423 389 I HA -0.220 3.950 4.170 0.000 0.000 0.254 389 I C 0.181 176.497 176.117 0.332 0.000 1.151 389 I CA 1.619 63.138 61.300 0.364 0.000 1.421 389 I CB -0.177 38.028 38.000 0.342 0.000 1.079 389 I HN 0.381 nan 8.210 nan 0.000 0.431 390 D N 0.286 120.789 120.400 0.172 0.000 2.670 390 D HA 0.281 4.921 4.640 0.000 0.000 0.255 390 D C -0.077 176.254 176.300 0.052 0.000 1.286 390 D CA -0.390 53.659 54.000 0.081 0.000 0.830 390 D CB 0.226 41.053 40.800 0.045 0.000 1.065 390 D HN 0.235 nan 8.370 nan 0.000 0.486 391 K N 0.636 121.106 120.400 0.115 0.000 2.545 391 K HA 0.232 4.552 4.320 0.000 0.000 0.252 391 K C 0.861 177.541 176.600 0.134 0.000 0.948 391 K CA -0.749 55.575 56.287 0.062 0.000 0.827 391 K CB 1.873 34.370 32.500 -0.004 0.000 1.128 391 K HN -0.095 nan 8.250 nan 0.000 0.429 392 K N 2.059 122.495 120.400 0.060 0.000 2.059 392 K HA -0.147 4.173 4.320 0.000 0.000 0.212 392 K C -0.267 176.406 176.600 0.122 0.000 1.050 392 K CA 1.739 58.081 56.287 0.092 0.000 0.927 392 K CB 0.111 32.623 32.500 0.020 0.000 0.714 392 K HN 0.544 nan 8.250 nan 0.000 0.447 393 D N 0.426 120.823 120.400 -0.005 0.000 2.255 393 D HA 0.135 4.775 4.640 0.000 0.000 0.249 393 D C -0.174 175.939 176.300 -0.311 0.000 1.078 393 D CA -0.272 53.655 54.000 -0.122 0.000 0.896 393 D CB 1.329 42.062 40.800 -0.112 0.000 1.194 393 D HN 0.416 nan 8.370 nan 0.000 0.429 394 c N -0.258 118.003 118.600 -0.565 0.000 2.668 394 c HA 0.854 5.424 4.570 0.000 0.000 0.355 394 c C -0.032 173.684 174.090 -0.624 0.000 1.277 394 c CA -0.623 55.168 56.329 -0.895 0.000 1.787 394 c CB 1.259 42.634 42.510 -1.892 0.000 2.233 394 c HN 0.485 nan 8.230 nan 0.000 0.495 395 T N 1.564 115.799 114.554 -0.533 0.000 2.792 395 T HA 0.517 4.867 4.350 0.000 0.000 0.280 395 T C -0.698 173.782 174.700 -0.367 0.000 0.990 395 T CA 0.099 62.014 62.100 -0.308 0.000 0.960 395 T CB 0.546 69.377 68.868 -0.061 0.000 0.939 395 T HN 0.480 nan 8.240 nan 0.000 0.439 396 F N 2.857 122.694 119.950 -0.189 0.000 2.529 396 F HA 0.254 4.781 4.527 0.000 0.000 0.365 396 F C 1.611 177.258 175.800 -0.255 0.000 1.102 396 F CA -0.820 57.055 58.000 -0.208 0.000 1.271 396 F CB 0.424 39.300 39.000 -0.206 0.000 1.120 396 F HN 0.586 nan 8.300 nan 0.000 0.579 397 I N -0.597 119.874 120.570 -0.165 0.000 4.082 397 I HA 0.254 4.424 4.170 0.000 0.000 0.337 397 I C 0.100 176.042 176.117 -0.293 0.000 1.352 397 I CA 0.110 61.106 61.300 -0.506 0.000 1.097 397 I CB 0.212 37.594 38.000 -1.031 0.000 1.048 397 I HN 0.503 nan 8.210 nan 0.000 0.393 398 T N 0.079 114.522 114.554 -0.185 0.000 2.909 398 T HA 0.707 5.057 4.350 0.000 0.000 0.299 398 T C -0.741 173.602 174.700 -0.594 0.000 1.073 398 T CA -0.640 61.331 62.100 -0.215 0.000 0.999 398 T CB 2.594 71.419 68.868 -0.071 0.000 1.098 398 T HN 0.460 nan 8.240 nan 0.000 0.477 399 K N 0.614 120.569 120.400 -0.741 0.000 2.495 399 K HA 0.971 5.291 4.320 0.000 0.000 0.268 399 K C -0.172 175.825 176.600 -1.006 0.000 1.008 399 K CA -0.971 54.578 56.287 -1.230 0.000 0.882 399 K CB 1.601 33.690 32.500 -0.685 0.000 1.443 399 K HN 1.360 nan 8.250 nan 0.000 0.447 400 G N -0.593 107.618 108.800 -0.982 0.000 2.361 400 G HA2 0.117 4.077 3.960 0.000 0.000 0.305 400 G HA3 0.117 4.077 3.960 0.000 0.000 0.305 400 G C -1.226 173.148 174.900 -0.877 0.000 1.367 400 G CA -0.855 43.827 45.100 -0.697 0.000 0.951 400 G HN 0.448 nan 8.290 nan 0.000 0.615 401 T N 2.521 116.736 114.554 -0.566 0.000 3.783 401 T HA 0.508 4.858 4.350 0.000 0.000 0.262 401 T C -0.335 174.228 174.700 -0.229 0.000 1.381 401 T CA 0.560 62.199 62.100 -0.768 0.000 1.155 401 T CB -1.108 67.552 68.868 -0.347 0.000 1.256 401 T HN 0.694 nan 8.240 nan 0.000 0.807 402 W N -0.035 121.123 121.300 -0.238 0.000 2.926 402 W HA 0.519 5.179 4.660 0.000 0.000 0.361 402 W C -1.502 175.019 176.519 0.005 0.000 1.195 402 W CA -0.983 56.368 57.345 0.010 0.000 1.177 402 W CB 0.650 30.095 29.460 -0.025 0.000 1.453 402 W HN -0.001 nan 8.180 nan 0.000 0.571 403 E N 0.943 121.307 120.200 0.274 0.000 2.288 403 E HA 0.447 4.797 4.350 0.000 0.000 0.268 403 E C -0.948 175.746 176.600 0.157 0.000 0.885 403 E CA -1.180 55.193 56.400 -0.045 0.000 0.767 403 E CB 3.374 33.102 29.700 0.046 0.000 1.220 403 E HN 0.177 nan 8.360 nan 0.000 0.427 404 V N 3.891 123.777 119.914 -0.046 0.000 2.508 404 V HA -0.025 4.095 4.120 0.000 0.000 0.281 404 V C 1.250 177.444 176.094 0.167 0.000 1.041 404 V CA 0.024 62.412 62.300 0.146 0.000 1.016 404 V CB 0.425 32.255 31.823 0.012 0.000 0.984 404 V HN 0.699 nan 8.190 nan 0.000 0.478 405 I N 3.135 123.834 120.570 0.216 0.000 2.400 405 I HA 0.235 4.405 4.170 0.000 0.000 0.248 405 I C 1.146 177.388 176.117 0.209 0.000 1.109 405 I CA 1.203 62.627 61.300 0.206 0.000 1.425 405 I CB -0.892 37.175 38.000 0.111 0.000 1.094 405 I HN 0.780 nan 8.210 nan 0.000 0.425 406 G N 0.336 109.260 108.800 0.206 0.000 2.616 406 G HA2 0.520 4.480 3.960 0.000 0.000 0.294 406 G HA3 0.520 4.480 3.960 0.000 0.000 0.294 406 G C -1.286 173.723 174.900 0.181 0.000 1.489 406 G CA -0.584 44.635 45.100 0.198 0.000 0.836 406 G HN -0.047 nan 8.290 nan 0.000 0.527 407 I N 1.489 122.125 120.570 0.110 0.000 2.342 407 I HA 0.275 4.445 4.170 0.000 0.000 0.291 407 I C 0.626 176.687 176.117 -0.092 0.000 1.010 407 I CA -0.550 60.709 61.300 -0.069 0.000 1.308 407 I CB 1.753 39.518 38.000 -0.391 0.000 1.400 407 I HN 0.505 nan 8.210 nan 0.000 0.488 408 E N 4.759 124.943 120.200 -0.026 0.000 2.330 408 E HA 0.351 4.701 4.350 0.000 0.000 0.200 408 E C 0.106 176.628 176.600 -0.131 0.000 0.922 408 E CA 0.207 56.626 56.400 0.032 0.000 0.935 408 E CB 0.969 30.769 29.700 0.168 0.000 0.917 408 E HN 0.676 nan 8.360 nan 0.000 0.491 409 A N 0.535 123.200 122.820 -0.257 0.000 2.612 409 A HA 0.664 4.984 4.320 0.000 0.000 0.293 409 A C -1.764 175.736 177.584 -0.141 0.000 1.075 409 A CA -0.579 51.255 52.037 -0.338 0.000 0.680 409 A CB 1.258 19.646 19.000 -1.021 0.000 1.279 409 A HN 0.073 nan 8.150 nan 0.000 0.411 410 L N 2.315 123.504 121.223 -0.057 0.000 2.446 410 L HA 0.578 4.918 4.340 0.000 0.000 0.268 410 L C 0.243 177.148 176.870 0.058 0.000 0.975 410 L CA -0.216 54.627 54.840 0.004 0.000 0.848 410 L CB 1.967 44.066 42.059 0.067 0.000 1.225 410 L HN 1.140 nan 8.230 nan 0.000 0.410 411 T N -0.912 113.691 114.554 0.082 0.000 2.910 411 T HA 0.201 4.551 4.350 0.000 0.000 0.279 411 T C 1.324 176.073 174.700 0.081 0.000 0.989 411 T CA 0.085 62.249 62.100 0.108 0.000 0.968 411 T CB 1.602 70.574 68.868 0.174 0.000 1.135 411 T HN 0.590 nan 8.240 nan 0.000 0.562 412 S N -0.010 115.738 115.700 0.080 0.000 2.442 412 S HA -0.098 4.372 4.470 0.000 0.000 0.236 412 S C 0.662 175.262 174.600 0.001 0.000 1.007 412 S CA 1.377 59.613 58.200 0.060 0.000 0.965 412 S CB -0.791 62.445 63.200 0.060 0.000 0.773 412 S HN 0.940 nan 8.310 nan 0.000 0.504 413 D N -1.915 118.455 120.400 -0.050 0.000 2.651 413 D HA 0.262 4.902 4.640 0.000 0.000 0.280 413 D C -0.675 175.327 176.300 -0.497 0.000 1.496 413 D CA -0.486 53.378 54.000 -0.228 0.000 0.792 413 D CB -0.647 40.002 40.800 -0.251 0.000 1.144 413 D HN 0.497 nan 8.370 nan 0.000 0.470 414 Y N 0.077 120.305 120.300 -0.121 0.000 2.479 414 Y HA 0.422 4.972 4.550 0.000 0.000 0.338 414 Y C -1.321 174.374 175.900 -0.342 0.000 1.055 414 Y CA -1.236 56.701 58.100 -0.271 0.000 1.023 414 Y CB 2.540 40.780 38.460 -0.366 0.000 1.287 414 Y HN -0.017 nan 8.280 nan 0.000 0.447 415 L N 4.616 125.700 121.223 -0.231 0.000 2.319 415 L HA 0.580 4.920 4.340 0.000 0.000 0.281 415 L C -1.677 175.043 176.870 -0.250 0.000 1.005 415 L CA -0.549 54.129 54.840 -0.270 0.000 0.828 415 L CB 0.584 42.405 42.059 -0.396 0.000 1.227 415 L HN 0.590 nan 8.230 nan 0.000 0.415 416 Y N 5.044 125.272 120.300 -0.119 0.000 2.308 416 Y HA 0.495 5.045 4.550 0.000 0.000 0.329 416 Y C -0.228 175.680 175.900 0.014 0.000 1.111 416 Y CA -0.155 57.881 58.100 -0.106 0.000 1.179 416 Y CB 1.028 39.318 38.460 -0.283 0.000 1.201 416 Y HN 0.556 nan 8.280 nan 0.000 0.483 417 Y N 0.561 120.917 120.300 0.092 0.000 2.655 417 Y HA 0.801 5.351 4.550 0.000 0.000 0.336 417 Y C -1.893 174.091 175.900 0.140 0.000 1.154 417 Y CA -1.827 56.319 58.100 0.076 0.000 1.055 417 Y CB 1.249 39.728 38.460 0.033 0.000 1.295 417 Y HN 0.291 nan 8.280 nan 0.000 0.465 418 I N 3.057 123.781 120.570 0.256 0.000 2.465 418 I HA 0.589 4.759 4.170 0.000 0.000 0.291 418 I C -0.506 175.776 176.117 0.275 0.000 1.014 418 I CA -0.465 60.927 61.300 0.152 0.000 1.093 418 I CB 1.752 39.812 38.000 0.100 0.000 1.267 418 I HN 0.894 nan 8.210 nan 0.000 0.431 419 S N 3.702 119.532 115.700 0.216 0.000 2.651 419 S HA 0.461 4.931 4.470 0.000 0.000 0.279 419 S C -0.363 174.292 174.600 0.092 0.000 1.148 419 S CA -0.801 57.527 58.200 0.213 0.000 0.837 419 S CB 2.044 65.410 63.200 0.276 0.000 1.138 419 S HN 0.624 nan 8.310 nan 0.000 0.478 420 N N -0.412 118.341 118.700 0.088 0.000 2.453 420 N HA 0.161 4.901 4.740 0.000 0.000 0.270 420 N C 0.383 175.871 175.510 -0.036 0.000 1.195 420 N CA -0.391 52.667 53.050 0.013 0.000 0.902 420 N CB 0.372 38.862 38.487 0.004 0.000 1.186 420 N HN 0.822 nan 8.380 nan 0.000 0.510 421 E N -0.210 119.845 120.200 -0.242 0.000 2.051 421 E HA -0.128 4.222 4.350 0.000 0.000 0.189 421 E C -0.358 176.088 176.600 -0.258 0.000 0.979 421 E CA -0.019 56.002 56.400 -0.632 0.000 0.803 421 E CB -0.052 28.699 29.700 -1.581 0.000 0.761 421 E HN 0.382 nan 8.360 nan 0.000 0.451 422 Y N 2.317 122.522 120.300 -0.159 0.000 2.895 422 Y HA -0.188 4.362 4.550 0.000 0.000 0.334 422 Y C 0.385 176.243 175.900 -0.070 0.000 1.261 422 Y CA 1.093 59.148 58.100 -0.075 0.000 1.560 422 Y CB 0.156 38.594 38.460 -0.037 0.000 1.253 422 Y HN 0.091 nan 8.280 nan 0.000 0.582 423 K N 3.561 123.636 120.400 -0.542 0.000 2.971 423 K HA -0.270 4.050 4.320 0.000 0.000 0.265 423 K C 0.885 177.408 176.600 -0.129 0.000 1.052 423 K CA 0.842 56.903 56.287 -0.377 0.000 0.780 423 K CB -1.790 30.451 32.500 -0.432 0.000 1.214 423 K HN 1.277 nan 8.250 nan 0.000 0.478 424 G N 0.961 109.698 108.800 -0.104 0.000 2.258 424 G HA2 -0.341 3.619 3.960 0.000 0.000 0.274 424 G HA3 -0.341 3.619 3.960 0.000 0.000 0.274 424 G C 0.050 174.941 174.900 -0.014 0.000 1.021 424 G CA 0.986 46.073 45.100 -0.021 0.000 0.798 424 G HN 0.491 nan 8.290 nan 0.000 0.507 425 M N -1.849 117.675 119.600 -0.127 0.000 2.149 425 M HA 0.526 5.006 4.480 0.000 0.000 0.342 425 M C -1.989 174.072 176.300 -0.398 0.000 1.068 425 M CA -2.392 52.657 55.300 -0.418 0.000 0.991 425 M CB 2.029 34.376 32.600 -0.422 0.000 1.596 425 M HN -0.135 nan 8.290 nan 0.000 0.439 426 P HA 0.036 nan 4.420 nan 0.000 0.222 426 P C 1.441 178.591 177.300 -0.250 0.000 1.153 426 P CA 1.112 64.037 63.100 -0.291 0.000 0.798 426 P CB 0.094 31.631 31.700 -0.272 0.000 0.796 427 G N -0.726 107.861 108.800 -0.356 0.000 2.848 427 G HA2 0.173 4.133 3.960 0.000 0.000 0.208 427 G HA3 0.173 4.133 3.960 0.000 0.000 0.208 427 G C 0.732 175.635 174.900 0.005 0.000 1.152 427 G CA 0.249 45.267 45.100 -0.137 0.000 0.789 427 G HN 0.413 nan 8.290 nan 0.000 0.531 428 G N -0.741 108.009 108.800 -0.083 0.000 2.471 428 G HA2 0.652 4.612 3.960 0.000 0.000 0.332 428 G HA3 0.652 4.612 3.960 0.000 0.000 0.332 428 G C -1.033 173.756 174.900 -0.185 0.000 1.176 428 G CA -0.987 44.088 45.100 -0.041 0.000 0.949 428 G HN 0.210 nan 8.290 nan 0.000 0.488 429 R N 0.265 120.611 120.500 -0.256 0.000 2.522 429 R HA 0.397 4.737 4.340 0.000 0.000 0.283 429 R C -1.253 174.972 176.300 -0.124 0.000 1.074 429 R CA -0.585 55.315 56.100 -0.334 0.000 0.925 429 R CB 1.432 31.209 30.300 -0.870 0.000 1.205 429 R HN 0.587 nan 8.270 nan 0.000 0.436 430 N N 2.682 121.344 118.700 -0.064 0.000 2.329 430 N HA 0.330 5.070 4.740 0.000 0.000 0.282 430 N C -1.720 173.654 175.510 -0.225 0.000 1.198 430 N CA -0.753 52.205 53.050 -0.153 0.000 0.790 430 N CB 2.215 40.513 38.487 -0.314 0.000 1.579 430 N HN 0.270 nan 8.380 nan 0.000 0.475 431 L N 1.773 122.746 121.223 -0.416 0.000 2.371 431 L HA 0.457 4.797 4.340 0.000 0.000 0.272 431 L C -1.328 175.157 176.870 -0.642 0.000 1.124 431 L CA 0.179 54.789 54.840 -0.383 0.000 0.816 431 L CB 0.005 41.847 42.059 -0.362 0.000 1.129 431 L HN 0.438 nan 8.230 nan 0.000 0.448 432 Y N 2.949 122.933 120.300 -0.527 0.000 2.553 432 Y HA 0.536 5.086 4.550 0.000 0.000 0.347 432 Y C -0.583 175.040 175.900 -0.462 0.000 1.019 432 Y CA -0.904 56.843 58.100 -0.589 0.000 1.032 432 Y CB 1.731 39.589 38.460 -1.004 0.000 1.284 432 Y HN 0.560 nan 8.280 nan 0.000 0.466 433 K N 2.565 122.873 120.400 -0.152 0.000 2.318 433 K HA 0.825 5.145 4.320 0.000 0.000 0.249 433 K C -1.860 174.739 176.600 -0.002 0.000 0.942 433 K CA -0.795 55.346 56.287 -0.242 0.000 0.808 433 K CB 2.901 35.035 32.500 -0.610 0.000 1.189 433 K HN 0.749 nan 8.250 nan 0.000 0.428 434 I N 1.851 122.457 120.570 0.061 0.000 2.466 434 I HA 0.154 4.324 4.170 0.000 0.000 0.289 434 I C -0.867 175.320 176.117 0.116 0.000 1.026 434 I CA -0.717 60.669 61.300 0.143 0.000 1.078 434 I CB 2.091 40.179 38.000 0.147 0.000 1.249 434 I HN 0.851 nan 8.210 nan 0.000 0.429 435 Q N 5.240 125.103 119.800 0.105 0.000 2.271 435 Q HA 0.075 4.415 4.340 0.000 0.000 0.273 435 Q C 0.174 176.106 176.000 -0.115 0.000 1.051 435 Q CA -0.357 55.346 55.803 -0.166 0.000 0.901 435 Q CB 1.167 29.837 28.738 -0.112 0.000 1.174 435 Q HN 0.765 nan 8.270 nan 0.000 0.385 436 L N 3.122 124.206 121.223 -0.232 0.000 2.027 436 L HA -0.196 4.144 4.340 0.000 0.000 0.206 436 L C 2.408 179.189 176.870 -0.147 0.000 1.074 436 L CA 2.233 57.022 54.840 -0.084 0.000 0.745 436 L CB -1.212 40.770 42.059 -0.129 0.000 0.898 436 L HN 0.846 nan 8.230 nan 0.000 0.433 437 S N -1.838 113.732 115.700 -0.216 0.000 2.442 437 S HA -0.124 4.346 4.470 0.000 0.000 0.236 437 S C 0.786 175.217 174.600 -0.281 0.000 1.007 437 S CA 0.917 58.976 58.200 -0.235 0.000 0.965 437 S CB -0.224 62.868 63.200 -0.180 0.000 0.773 437 S HN 0.470 nan 8.310 nan 0.000 0.504 438 D N -0.394 119.870 120.400 -0.226 0.000 2.386 438 D HA 0.245 4.885 4.640 0.000 0.000 0.247 438 D C -0.480 175.809 176.300 -0.018 0.000 1.336 438 D CA -0.716 53.181 54.000 -0.172 0.000 0.976 438 D CB 0.463 41.206 40.800 -0.095 0.000 1.257 438 D HN -0.001 nan 8.370 nan 0.000 0.570 439 Y N 1.175 121.446 120.300 -0.048 0.000 2.574 439 Y HA -0.071 4.479 4.550 0.000 0.000 0.294 439 Y C 2.424 178.322 175.900 -0.003 0.000 1.142 439 Y CA 1.237 59.318 58.100 -0.032 0.000 1.314 439 Y CB -0.678 37.761 38.460 -0.035 0.000 0.991 439 Y HN 0.413 nan 8.280 nan 0.000 0.555 440 T N -3.398 111.236 114.554 0.135 0.000 3.107 440 T HA 0.062 4.412 4.350 0.000 0.000 0.249 440 T C 0.707 175.457 174.700 0.083 0.000 1.096 440 T CA -0.096 62.060 62.100 0.093 0.000 1.012 440 T CB -0.043 68.858 68.868 0.055 0.000 0.977 440 T HN -0.115 nan 8.240 nan 0.000 0.527 441 K N 2.661 123.114 120.400 0.088 0.000 2.363 441 K HA 0.401 4.721 4.320 0.000 0.000 0.240 441 K C -0.792 175.880 176.600 0.120 0.000 1.169 441 K CA -0.201 56.138 56.287 0.087 0.000 1.131 441 K CB 0.704 33.245 32.500 0.068 0.000 1.771 441 K HN 0.244 nan 8.250 nan 0.000 0.380 442 V N 1.710 121.697 119.914 0.123 0.000 2.407 442 V HA 0.259 4.379 4.120 0.000 0.000 0.278 442 V C 0.345 176.512 176.094 0.123 0.000 1.037 442 V CA -0.460 61.930 62.300 0.151 0.000 0.900 442 V CB 1.585 33.517 31.823 0.181 0.000 0.983 442 V HN 0.404 nan 8.190 nan 0.000 0.459 443 T N 3.495 118.103 114.554 0.091 0.000 2.829 443 T HA 0.272 4.622 4.350 0.000 0.000 0.280 443 T C -0.422 174.248 174.700 -0.050 0.000 0.999 443 T CA -0.315 61.794 62.100 0.014 0.000 0.983 443 T CB 1.416 70.258 68.868 -0.042 0.000 0.968 443 T HN 0.774 nan 8.240 nan 0.000 0.446 444 C N 4.525 123.737 119.300 -0.148 0.000 2.325 444 C HA 0.439 4.899 4.460 0.000 0.000 0.347 444 C C 1.358 176.092 174.990 -0.427 0.000 1.263 444 C CA -0.558 58.172 59.018 -0.480 0.000 1.806 444 C CB -1.646 25.800 27.740 -0.489 0.000 2.405 444 C HN 0.894 nan 8.230 nan 0.000 0.537 445 L N 4.754 125.677 121.223 -0.500 0.000 2.558 445 L HA 0.139 4.479 4.340 0.000 0.000 0.225 445 L C 2.129 178.722 176.870 -0.462 0.000 1.128 445 L CA 1.427 56.036 54.840 -0.385 0.000 0.868 445 L CB 0.120 41.976 42.059 -0.338 0.000 1.006 445 L HN 0.906 nan 8.230 nan 0.000 0.454 446 S N -4.884 110.440 115.700 -0.626 0.000 2.744 446 S HA 0.016 4.487 4.470 0.000 0.000 0.265 446 S C 1.646 175.854 174.600 -0.654 0.000 1.065 446 S CA -0.004 57.709 58.200 -0.812 0.000 1.191 446 S CB -0.652 61.726 63.200 -1.369 0.000 1.150 446 S HN 0.216 nan 8.310 nan 0.000 0.646 447 C N 2.136 121.062 119.300 -0.623 0.000 2.440 447 C HA 0.165 4.625 4.460 0.000 0.000 0.278 447 C C 2.108 176.804 174.990 -0.491 0.000 1.295 447 C CA 1.013 59.566 59.018 -0.775 0.000 1.738 447 C CB -0.999 26.115 27.740 -1.043 0.000 1.987 447 C HN 0.700 nan 8.230 nan 0.000 0.492 448 E N 0.107 120.129 120.200 -0.297 0.000 2.501 448 E HA 0.188 4.538 4.350 0.000 0.000 0.201 448 E C 1.674 178.225 176.600 -0.082 0.000 1.016 448 E CA -0.220 56.100 56.400 -0.133 0.000 0.920 448 E CB 0.087 29.740 29.700 -0.080 0.000 1.023 448 E HN 0.550 nan 8.360 nan 0.000 0.474 449 L N 0.728 121.891 121.223 -0.099 0.000 2.127 449 L HA -0.094 4.246 4.340 0.000 0.000 0.211 449 L C 0.901 177.777 176.870 0.011 0.000 1.089 449 L CA 0.930 55.750 54.840 -0.034 0.000 0.757 449 L CB -0.024 42.020 42.059 -0.024 0.000 0.899 449 L HN 0.218 nan 8.230 nan 0.000 0.434 450 N N -1.865 116.850 118.700 0.024 0.000 3.664 450 N HA 0.055 4.795 4.740 0.000 0.000 0.139 450 N C -2.286 173.239 175.510 0.025 0.000 1.286 450 N CA -0.490 52.575 53.050 0.025 0.000 1.541 450 N CB 0.436 38.941 38.487 0.029 0.000 1.689 450 N HN -0.191 nan 8.380 nan 0.000 0.695 451 P HA 0.022 nan 4.420 nan 0.000 0.226 451 P C 0.736 178.068 177.300 0.053 0.000 1.153 451 P CA 1.043 64.173 63.100 0.049 0.000 0.777 451 P CB 0.541 32.290 31.700 0.082 0.000 0.794 452 E N -0.719 119.497 120.200 0.028 0.000 2.140 452 E HA -0.022 4.328 4.350 0.000 0.000 0.191 452 E C 2.135 178.730 176.600 -0.008 0.000 0.973 452 E CA 0.403 56.813 56.400 0.017 0.000 0.829 452 E CB -0.143 29.562 29.700 0.008 0.000 0.781 452 E HN 0.173 nan 8.360 nan 0.000 0.466 453 R N 0.075 120.557 120.500 -0.030 0.000 2.140 453 R HA 0.088 4.428 4.340 0.000 0.000 0.213 453 R C -0.000 176.241 176.300 -0.097 0.000 1.059 453 R CA 0.508 56.567 56.100 -0.069 0.000 1.000 453 R CB 0.414 30.666 30.300 -0.081 0.000 0.910 453 R HN 0.048 nan 8.270 nan 0.000 0.455 454 c N 0.893 119.439 118.600 -0.089 0.000 2.321 454 c HA 0.396 4.966 4.570 0.000 0.000 0.323 454 c C -0.116 173.895 174.090 -0.132 0.000 1.191 454 c CA -0.609 55.600 56.329 -0.201 0.000 1.455 454 c CB 1.208 43.599 42.510 -0.198 0.000 2.083 454 c HN 0.522 nan 8.230 nan 0.000 0.442 455 Q N 0.699 120.417 119.800 -0.137 0.000 2.064 455 Q HA 0.206 4.546 4.340 0.000 0.000 0.213 455 Q C -0.928 175.075 176.000 0.006 0.000 0.779 455 Q CA 0.063 55.859 55.803 -0.012 0.000 1.032 455 Q CB 1.164 29.941 28.738 0.066 0.000 1.203 455 Q HN 0.793 nan 8.270 nan 0.000 0.457 456 Y N 0.478 120.612 120.300 -0.276 0.000 2.609 456 Y HA 0.339 4.889 4.550 0.000 0.000 0.350 456 Y C -1.517 174.222 175.900 -0.268 0.000 1.050 456 Y CA -0.989 56.996 58.100 -0.191 0.000 1.290 456 Y CB 0.566 38.941 38.460 -0.142 0.000 1.094 456 Y HN -0.031 nan 8.280 nan 0.000 0.583 457 Y N 1.788 122.001 120.300 -0.144 0.000 2.352 457 Y HA 0.629 5.179 4.550 0.000 0.000 0.326 457 Y C 0.506 176.342 175.900 -0.107 0.000 1.166 457 Y CA -0.296 57.736 58.100 -0.113 0.000 1.182 457 Y CB 1.864 40.230 38.460 -0.158 0.000 1.216 457 Y HN 0.476 nan 8.280 nan 0.000 0.474 458 S N 0.701 116.482 115.700 0.135 0.000 2.661 458 S HA 0.849 5.319 4.470 0.000 0.000 0.285 458 S C -1.549 173.119 174.600 0.114 0.000 1.138 458 S CA -0.879 57.385 58.200 0.108 0.000 0.855 458 S CB 1.858 65.132 63.200 0.124 0.000 1.136 458 S HN 0.562 nan 8.310 nan 0.000 0.484 459 V N 0.542 120.527 119.914 0.119 0.000 2.971 459 V HA 0.834 4.954 4.120 0.000 0.000 0.309 459 V C -1.163 175.026 176.094 0.158 0.000 1.130 459 V CA -0.242 62.112 62.300 0.090 0.000 0.964 459 V CB 2.260 34.080 31.823 -0.006 0.000 1.029 459 V HN 1.219 nan 8.190 nan 0.000 0.427 460 S N 5.734 121.522 115.700 0.146 0.000 2.640 460 S HA 0.691 5.161 4.470 0.000 0.000 0.320 460 S C -1.083 173.684 174.600 0.278 0.000 1.097 460 S CA -0.378 57.998 58.200 0.293 0.000 1.092 460 S CB 0.469 63.879 63.200 0.351 0.000 0.988 460 S HN 0.491 nan 8.310 nan 0.000 0.470 461 F N 2.944 122.977 119.950 0.139 0.000 2.377 461 F HA 0.486 5.013 4.527 0.000 0.000 0.328 461 F C 1.346 176.746 175.800 -0.666 0.000 1.094 461 F CA -0.149 57.770 58.000 -0.136 0.000 1.093 461 F CB 1.559 40.462 39.000 -0.162 0.000 1.214 461 F HN 0.692 nan 8.300 nan 0.000 0.518 462 S N 1.737 116.917 115.700 -0.866 0.000 2.641 462 S HA 0.184 4.654 4.470 0.000 0.000 0.261 462 S C 1.233 175.593 174.600 -0.400 0.000 1.257 462 S CA -0.543 56.867 58.200 -1.317 0.000 0.983 462 S CB 0.826 63.365 63.200 -1.102 0.000 0.990 462 S HN 0.703 nan 8.310 nan 0.000 0.572 463 K N 0.272 120.545 120.400 -0.212 0.000 2.074 463 K HA -0.104 4.216 4.320 0.000 0.000 0.209 463 K C 0.763 177.360 176.600 -0.004 0.000 1.048 463 K CA 1.831 58.100 56.287 -0.030 0.000 0.926 463 K CB -0.205 32.309 32.500 0.023 0.000 0.713 463 K HN 0.700 nan 8.250 nan 0.000 0.444 464 E N -1.167 119.028 120.200 -0.009 0.000 3.157 464 E HA 0.221 4.571 4.350 0.000 0.000 0.203 464 E C -0.815 175.790 176.600 0.009 0.000 0.982 464 E CA -0.023 56.389 56.400 0.020 0.000 1.217 464 E CB 1.078 30.807 29.700 0.048 0.000 1.123 464 E HN 0.282 nan 8.360 nan 0.000 0.457 465 A N 1.161 123.975 122.820 -0.010 0.000 2.822 465 A HA -0.308 4.012 4.320 0.000 0.000 0.287 465 A C 1.350 178.954 177.584 0.034 0.000 1.479 465 A CA 1.186 53.247 52.037 0.040 0.000 0.779 465 A CB -1.395 17.530 19.000 -0.126 0.000 1.022 465 A HN 0.332 nan 8.150 nan 0.000 0.532 466 K N -2.158 118.227 120.400 -0.024 0.000 2.243 466 K HA 0.150 4.470 4.320 0.000 0.000 0.201 466 K C 0.069 176.398 176.600 -0.452 0.000 1.051 466 K CA 1.246 57.432 56.287 -0.168 0.000 0.970 466 K CB 0.140 32.599 32.500 -0.068 0.000 0.755 466 K HN 0.731 nan 8.250 nan 0.000 0.465 467 Y N -0.954 119.296 120.300 -0.083 0.000 2.638 467 Y HA 0.299 4.849 4.550 0.000 0.000 0.339 467 Y C -0.877 174.948 175.900 -0.125 0.000 1.084 467 Y CA -1.530 56.515 58.100 -0.091 0.000 1.068 467 Y CB 1.720 40.147 38.460 -0.055 0.000 1.294 467 Y HN -0.047 nan 8.280 nan 0.000 0.480 468 Y N -1.059 119.205 120.300 -0.059 0.000 2.521 468 Y HA 0.466 5.016 4.550 0.000 0.000 0.332 468 Y C -1.470 174.407 175.900 -0.038 0.000 1.121 468 Y CA -1.376 56.519 58.100 -0.342 0.000 1.037 468 Y CB 1.338 39.057 38.460 -1.234 0.000 1.330 468 Y HN 0.592 nan 8.280 nan 0.000 0.452 469 Q N 4.127 124.022 119.800 0.159 0.000 2.290 469 Q HA 0.590 4.930 4.340 0.000 0.000 0.259 469 Q C -1.674 174.388 176.000 0.104 0.000 0.941 469 Q CA -0.756 55.120 55.803 0.120 0.000 0.912 469 Q CB 1.339 30.135 28.738 0.097 0.000 1.244 469 Q HN 0.951 nan 8.270 nan 0.000 0.441 470 L N 3.694 124.984 121.223 0.112 0.000 2.307 470 L HA 0.524 4.864 4.340 0.000 0.000 0.282 470 L C -0.488 176.448 176.870 0.111 0.000 1.051 470 L CA -0.823 54.091 54.840 0.123 0.000 0.804 470 L CB 1.285 43.417 42.059 0.122 0.000 1.197 470 L HN 0.530 nan 8.230 nan 0.000 0.431 471 R N 1.806 122.349 120.500 0.071 0.000 2.343 471 R HA 0.377 4.717 4.340 0.000 0.000 0.320 471 R C -0.944 175.241 176.300 -0.192 0.000 0.956 471 R CA -0.315 55.680 56.100 -0.174 0.000 0.836 471 R CB 1.434 31.682 30.300 -0.087 0.000 1.151 471 R HN 0.600 nan 8.270 nan 0.000 0.450 472 c N 2.630 120.988 118.600 -0.404 0.000 2.298 472 c HA 0.593 5.163 4.570 0.000 0.000 0.323 472 c C 0.802 174.668 174.090 -0.373 0.000 1.284 472 c CA -0.312 55.692 56.329 -0.542 0.000 1.577 472 c CB 0.283 42.414 42.510 -0.632 0.000 2.249 472 c HN 0.965 nan 8.230 nan 0.000 0.497 473 S N 3.465 119.031 115.700 -0.224 0.000 2.730 473 S HA 0.623 5.093 4.470 0.000 0.000 0.244 473 S C 0.344 174.896 174.600 -0.080 0.000 1.022 473 S CA 0.205 58.329 58.200 -0.126 0.000 1.014 473 S CB 0.264 63.425 63.200 -0.065 0.000 0.963 473 S HN 1.808 nan 8.310 nan 0.000 0.540 474 G N 1.696 110.435 108.800 -0.101 0.000 2.355 474 G HA2 0.451 4.411 3.960 0.000 0.000 0.296 474 G HA3 0.451 4.411 3.960 0.000 0.000 0.296 474 G C -3.237 171.630 174.900 -0.054 0.000 1.507 474 G CA -0.800 44.275 45.100 -0.041 0.000 0.823 474 G HN -0.122 nan 8.290 nan 0.000 0.569 475 P HA 0.184 nan 4.420 nan 0.000 0.251 475 P C 1.241 178.546 177.300 0.007 0.000 1.223 475 P CA 0.759 63.877 63.100 0.030 0.000 0.796 475 P CB 0.777 32.496 31.700 0.031 0.000 1.068 476 G N 0.615 109.350 108.800 -0.109 0.000 2.563 476 G HA2 0.370 4.330 3.960 0.000 0.000 0.283 476 G HA3 0.370 4.330 3.960 0.000 0.000 0.283 476 G C -0.197 174.440 174.900 -0.439 0.000 1.309 476 G CA -0.699 44.255 45.100 -0.244 0.000 1.022 476 G HN 0.017 nan 8.290 nan 0.000 0.501 477 L N 1.245 122.128 121.223 -0.567 0.000 2.490 477 L HA 0.122 4.462 4.340 0.000 0.000 0.274 477 L C -1.806 174.896 176.870 -0.279 0.000 1.201 477 L CA -1.216 53.285 54.840 -0.566 0.000 0.869 477 L CB 0.440 42.254 42.059 -0.409 0.000 1.123 477 L HN 0.251 nan 8.230 nan 0.000 0.484 478 P HA -0.002 nan 4.420 nan 0.000 0.266 478 P C -0.845 176.355 177.300 -0.166 0.000 1.186 478 P CA 0.116 63.110 63.100 -0.175 0.000 0.767 478 P CB 0.495 32.159 31.700 -0.061 0.000 0.820 479 L N 4.526 125.555 121.223 -0.324 0.000 2.528 479 L HA 0.446 4.786 4.340 0.000 0.000 0.267 479 L C -1.927 174.773 176.870 -0.282 0.000 0.961 479 L CA -0.579 54.152 54.840 -0.182 0.000 0.866 479 L CB 0.939 42.917 42.059 -0.135 0.000 1.248 479 L HN 0.192 nan 8.230 nan 0.000 0.404 480 Y N 2.977 123.232 120.300 -0.074 0.000 2.335 480 Y HA 0.777 5.327 4.550 0.000 0.000 0.338 480 Y C 0.752 176.559 175.900 -0.155 0.000 0.977 480 Y CA -0.390 57.652 58.100 -0.097 0.000 1.114 480 Y CB 1.979 40.348 38.460 -0.152 0.000 1.182 480 Y HN 0.708 nan 8.280 nan 0.000 0.463 481 T N 1.003 115.580 114.554 0.039 0.000 2.858 481 T HA 0.771 5.121 4.350 0.000 0.000 0.285 481 T C -1.402 173.268 174.700 -0.050 0.000 1.052 481 T CA -0.959 61.112 62.100 -0.048 0.000 1.009 481 T CB 2.034 70.903 68.868 0.001 0.000 1.241 481 T HN 0.527 nan 8.240 nan 0.000 0.542 482 L N 1.100 122.202 121.223 -0.201 0.000 2.445 482 L HA 0.623 4.963 4.340 0.000 0.000 0.262 482 L C -1.723 174.920 176.870 -0.379 0.000 0.974 482 L CA -0.564 54.195 54.840 -0.134 0.000 0.822 482 L CB 2.124 44.114 42.059 -0.114 0.000 1.339 482 L HN 0.992 nan 8.230 nan 0.000 0.409 483 H N 0.376 119.218 119.070 -0.379 0.000 2.980 483 H HA 0.494 5.050 4.556 0.000 0.000 0.367 483 H C -0.451 174.664 175.328 -0.356 0.000 1.206 483 H CA -0.584 55.162 56.048 -0.503 0.000 1.126 483 H CB 2.010 31.135 29.762 -1.061 0.000 1.838 483 H HN 0.478 nan 8.280 nan 0.000 0.552 484 S N -0.055 115.583 115.700 -0.104 0.000 2.489 484 S HA 0.311 4.781 4.470 0.000 0.000 0.291 484 S C 0.274 174.820 174.600 -0.090 0.000 1.151 484 S CA -0.541 57.539 58.200 -0.199 0.000 1.082 484 S CB 1.582 64.669 63.200 -0.188 0.000 1.019 484 S HN 0.549 nan 8.310 nan 0.000 0.492 485 S N 2.441 118.096 115.700 -0.076 0.000 2.414 485 S HA -0.084 4.386 4.470 0.000 0.000 0.227 485 S C 1.997 176.617 174.600 0.032 0.000 1.022 485 S CA 0.732 59.001 58.200 0.116 0.000 0.958 485 S CB -0.541 62.713 63.200 0.091 0.000 0.797 485 S HN 0.772 nan 8.310 nan 0.000 0.493 486 V N 2.834 122.719 119.914 -0.049 0.000 2.313 486 V HA -0.265 3.855 4.120 0.000 0.000 0.253 486 V C 1.460 177.551 176.094 -0.005 0.000 1.070 486 V CA 2.144 64.429 62.300 -0.025 0.000 1.057 486 V CB -0.415 31.375 31.823 -0.055 0.000 0.653 486 V HN 0.424 nan 8.190 nan 0.000 0.450 487 N N -1.456 117.239 118.700 -0.008 0.000 2.332 487 N HA 0.084 4.824 4.740 0.000 0.000 0.190 487 N C 0.301 175.823 175.510 0.020 0.000 1.117 487 N CA 0.809 53.862 53.050 0.004 0.000 0.883 487 N CB 0.252 38.738 38.487 -0.002 0.000 1.089 487 N HN 0.516 nan 8.380 nan 0.000 0.480 488 D N 0.503 120.939 120.400 0.059 0.000 2.800 488 D HA -0.172 4.468 4.640 0.000 0.000 0.232 488 D C -0.142 176.215 176.300 0.094 0.000 1.137 488 D CA 0.770 54.842 54.000 0.119 0.000 0.718 488 D CB -1.047 39.794 40.800 0.069 0.000 1.084 488 D HN 0.277 nan 8.370 nan 0.000 0.432 489 K N 0.777 121.205 120.400 0.047 0.000 2.248 489 K HA 0.429 4.749 4.320 0.000 0.000 0.281 489 K C 0.619 177.190 176.600 -0.048 0.000 1.054 489 K CA -0.234 56.058 56.287 0.008 0.000 0.903 489 K CB 0.966 33.457 32.500 -0.015 0.000 1.077 489 K HN 0.122 nan 8.250 nan 0.000 0.474 490 G N 4.967 113.705 108.800 -0.104 0.000 2.356 490 G HA2 0.130 4.090 3.960 0.000 0.000 0.273 490 G HA3 0.130 4.090 3.960 0.000 0.000 0.273 490 G C 0.875 175.600 174.900 -0.291 0.000 1.213 490 G CA -0.321 44.535 45.100 -0.407 0.000 0.955 490 G HN 0.634 nan 8.290 nan 0.000 0.454 491 L N 2.290 123.326 121.223 -0.312 0.000 2.042 491 L HA 0.296 4.636 4.340 0.000 0.000 0.204 491 L C 1.788 178.569 176.870 -0.149 0.000 1.130 491 L CA 0.790 55.534 54.840 -0.159 0.000 0.779 491 L CB -0.283 41.724 42.059 -0.086 0.000 0.918 491 L HN 0.641 nan 8.230 nan 0.000 0.450 492 R N -0.705 119.697 120.500 -0.164 0.000 2.888 492 R HA 0.574 4.914 4.340 0.000 0.000 0.264 492 R C -1.345 174.854 176.300 -0.169 0.000 1.045 492 R CA -0.772 55.249 56.100 -0.131 0.000 0.962 492 R CB 1.693 31.948 30.300 -0.075 0.000 1.210 492 R HN -0.137 nan 8.270 nan 0.000 0.479 493 V N 2.816 122.649 119.914 -0.135 0.000 2.432 493 V HA 0.152 4.272 4.120 0.000 0.000 0.275 493 V C 1.197 177.172 176.094 -0.198 0.000 1.043 493 V CA -0.348 61.867 62.300 -0.142 0.000 0.925 493 V CB 1.249 33.017 31.823 -0.091 0.000 0.985 493 V HN 0.684 nan 8.190 nan 0.000 0.466 494 L N 2.917 123.953 121.223 -0.311 0.000 2.168 494 L HA 0.289 4.629 4.340 0.000 0.000 0.203 494 L C 0.714 177.264 176.870 -0.532 0.000 1.078 494 L CA 0.698 55.152 54.840 -0.644 0.000 0.780 494 L CB 0.232 41.592 42.059 -1.165 0.000 0.939 494 L HN 0.697 nan 8.230 nan 0.000 0.451 495 E N -0.409 119.638 120.200 -0.255 0.000 2.378 495 E HA 0.121 4.471 4.350 0.000 0.000 0.283 495 E C -1.421 175.223 176.600 0.073 0.000 0.979 495 E CA -0.365 55.996 56.400 -0.064 0.000 0.795 495 E CB 1.306 30.968 29.700 -0.063 0.000 1.221 495 E HN 0.130 nan 8.360 nan 0.000 0.428 496 D N 2.720 123.151 120.400 0.051 0.000 2.538 496 D HA 0.134 4.774 4.640 0.000 0.000 0.241 496 D C -0.419 175.896 176.300 0.025 0.000 1.297 496 D CA -0.211 53.809 54.000 0.033 0.000 0.804 496 D CB -0.192 40.604 40.800 -0.005 0.000 1.122 496 D HN 0.437 nan 8.370 nan 0.000 0.519 497 N N 0.749 119.482 118.700 0.054 0.000 2.678 497 N HA -0.232 4.508 4.740 0.000 0.000 0.249 497 N C 1.145 176.666 175.510 0.018 0.000 1.119 497 N CA 1.109 54.186 53.050 0.045 0.000 0.718 497 N CB -1.606 36.903 38.487 0.036 0.000 1.060 497 N HN 0.543 nan 8.380 nan 0.000 0.552 498 S N -1.141 114.567 115.700 0.014 0.000 2.399 498 S HA -0.012 4.458 4.470 0.000 0.000 0.231 498 S C 2.128 176.743 174.600 0.025 0.000 1.022 498 S CA 0.964 59.168 58.200 0.008 0.000 0.983 498 S CB -0.211 62.993 63.200 0.006 0.000 0.803 498 S HN 0.533 nan 8.310 nan 0.000 0.480 499 A N 2.526 125.370 122.820 0.040 0.000 1.869 499 A HA -0.101 4.219 4.320 0.000 0.000 0.218 499 A C 2.273 179.899 177.584 0.071 0.000 1.203 499 A CA 1.959 54.029 52.037 0.055 0.000 0.638 499 A CB -1.159 17.878 19.000 0.063 0.000 0.831 499 A HN 0.601 nan 8.150 nan 0.000 0.450 500 L N -0.210 121.061 121.223 0.079 0.000 2.083 500 L HA -0.156 4.184 4.340 0.000 0.000 0.209 500 L C 1.902 178.813 176.870 0.069 0.000 1.083 500 L CA 2.710 57.613 54.840 0.105 0.000 0.752 500 L CB -0.598 41.528 42.059 0.112 0.000 0.899 500 L HN 0.429 nan 8.230 nan 0.000 0.433 501 D N -0.577 119.837 120.400 0.025 0.000 2.144 501 D HA -0.185 4.455 4.640 0.000 0.000 0.199 501 D C 1.943 178.251 176.300 0.013 0.000 0.984 501 D CA 0.934 54.931 54.000 -0.006 0.000 0.834 501 D CB 0.143 40.927 40.800 -0.026 0.000 0.955 501 D HN 0.284 nan 8.370 nan 0.000 0.465 502 K N 0.242 120.662 120.400 0.033 0.000 1.978 502 K HA -0.127 4.193 4.320 0.000 0.000 0.214 502 K C 2.382 179.018 176.600 0.060 0.000 1.049 502 K CA 0.815 57.127 56.287 0.042 0.000 0.939 502 K CB -0.946 31.582 32.500 0.048 0.000 0.721 502 K HN 0.310 nan 8.250 nan 0.000 0.441 503 M N 0.648 120.307 119.600 0.097 0.000 2.192 503 M HA -0.189 4.291 4.480 0.000 0.000 0.259 503 M C 2.164 178.520 176.300 0.093 0.000 1.071 503 M CA 1.458 56.853 55.300 0.159 0.000 1.082 503 M CB -0.319 32.453 32.600 0.286 0.000 1.373 503 M HN 0.069 nan 8.290 nan 0.000 0.408 504 L N -0.539 120.691 121.223 0.012 0.000 2.375 504 L HA -0.128 4.212 4.340 0.000 0.000 0.215 504 L C 2.425 179.268 176.870 -0.044 0.000 1.108 504 L CA 0.536 55.327 54.840 -0.082 0.000 0.830 504 L CB -0.284 41.726 42.059 -0.082 0.000 0.959 504 L HN 0.421 nan 8.230 nan 0.000 0.457 505 Q N -1.018 118.777 119.800 -0.007 0.000 2.378 505 Q HA -0.098 4.242 4.340 0.000 0.000 0.205 505 Q C 1.167 177.181 176.000 0.022 0.000 0.954 505 Q CA 0.790 56.596 55.803 0.004 0.000 0.901 505 Q CB -0.359 28.385 28.738 0.009 0.000 0.981 505 Q HN 0.339 nan 8.270 nan 0.000 0.483 506 N N 0.946 119.668 118.700 0.036 0.000 2.573 506 N HA -0.027 4.713 4.740 0.000 0.000 0.187 506 N C -0.160 175.385 175.510 0.059 0.000 1.107 506 N CA 0.389 53.474 53.050 0.058 0.000 0.918 506 N CB 0.559 39.099 38.487 0.088 0.000 0.966 506 N HN 0.176 nan 8.380 nan 0.000 0.448 507 V N -0.141 119.790 119.914 0.028 0.000 2.876 507 V HA 0.309 4.429 4.120 0.000 0.000 0.312 507 V C -1.231 174.866 176.094 0.006 0.000 1.085 507 V CA -0.889 61.428 62.300 0.029 0.000 0.945 507 V CB 2.024 33.853 31.823 0.010 0.000 1.017 507 V HN 0.022 nan 8.190 nan 0.000 0.428 508 Q N 6.323 126.134 119.800 0.017 0.000 2.534 508 Q HA 0.346 4.686 4.340 0.000 0.000 0.223 508 Q C -0.333 175.629 176.000 -0.063 0.000 1.239 508 Q CA -0.290 55.492 55.803 -0.036 0.000 0.936 508 Q CB 0.634 29.350 28.738 -0.037 0.000 1.457 508 Q HN 0.625 nan 8.270 nan 0.000 0.547 509 M N 2.625 122.178 119.600 -0.079 0.000 2.202 509 M HA 0.376 4.856 4.480 0.000 0.000 0.316 509 M C -2.095 174.129 176.300 -0.127 0.000 1.138 509 M CA -2.447 52.795 55.300 -0.096 0.000 1.151 509 M CB -0.479 32.075 32.600 -0.076 0.000 1.422 509 M HN 0.276 nan 8.290 nan 0.000 0.471 510 P HA 0.394 nan 4.420 nan 0.000 0.281 510 P C -1.101 176.117 177.300 -0.136 0.000 1.281 510 P CA -0.603 62.400 63.100 -0.160 0.000 0.811 510 P CB 0.752 32.339 31.700 -0.189 0.000 1.154 511 S N -1.242 114.368 115.700 -0.150 0.000 2.566 511 S HA 0.615 5.085 4.470 0.000 0.000 0.298 511 S C -0.780 173.733 174.600 -0.146 0.000 1.083 511 S CA -0.839 57.290 58.200 -0.118 0.000 0.978 511 S CB 1.554 64.691 63.200 -0.104 0.000 1.073 511 S HN 0.399 nan 8.310 nan 0.000 0.491 512 K N 1.322 121.661 120.400 -0.101 0.000 2.307 512 K HA 0.352 4.672 4.320 0.000 0.000 0.263 512 K C -0.964 175.586 176.600 -0.082 0.000 0.973 512 K CA -0.533 55.695 56.287 -0.098 0.000 0.846 512 K CB 1.017 33.478 32.500 -0.065 0.000 1.100 512 K HN 0.650 nan 8.250 nan 0.000 0.438 513 K N 5.019 125.356 120.400 -0.104 0.000 2.130 513 K HA 0.370 4.690 4.320 0.000 0.000 0.268 513 K C -1.266 175.289 176.600 -0.076 0.000 0.983 513 K CA -0.621 55.616 56.287 -0.083 0.000 0.893 513 K CB 0.978 33.420 32.500 -0.096 0.000 1.066 513 K HN 0.613 nan 8.250 nan 0.000 0.450 514 L N 3.527 124.713 121.223 -0.061 0.000 2.406 514 L HA 0.372 4.712 4.340 0.000 0.000 0.272 514 L C -1.291 175.558 176.870 -0.035 0.000 0.980 514 L CA -0.242 54.582 54.840 -0.027 0.000 0.831 514 L CB 1.702 43.814 42.059 0.090 0.000 1.253 514 L HN 0.815 nan 8.230 nan 0.000 0.406 515 D N 2.361 122.600 120.400 -0.268 0.000 2.851 515 D HA 0.508 5.149 4.640 0.000 0.000 0.339 515 D C -1.596 174.381 176.300 -0.538 0.000 1.347 515 D CA -0.097 53.672 54.000 -0.386 0.000 0.888 515 D CB 1.544 42.080 40.800 -0.440 0.000 1.431 515 D HN 0.208 nan 8.370 nan 0.000 0.509 516 F N -0.384 119.273 119.950 -0.489 0.000 2.650 516 F HA 0.778 5.305 4.527 0.000 0.000 0.320 516 F C -0.739 175.164 175.800 0.172 0.000 1.091 516 F CA -1.113 56.713 58.000 -0.289 0.000 0.962 516 F CB 0.783 39.142 39.000 -1.069 0.000 1.363 516 F HN 0.396 nan 8.300 nan 0.000 0.482 517 I N -0.479 120.399 120.570 0.513 0.000 3.170 517 I HA 0.773 4.943 4.170 0.000 0.000 0.312 517 I C -1.506 174.855 176.117 0.407 0.000 1.085 517 I CA -1.335 60.176 61.300 0.352 0.000 0.999 517 I CB 2.484 40.628 38.000 0.240 0.000 1.233 517 I HN 0.634 nan 8.210 nan 0.000 0.467 518 I N 2.968 123.704 120.570 0.277 0.000 2.436 518 I HA 0.462 4.632 4.170 0.000 0.000 0.289 518 I C -1.086 175.160 176.117 0.214 0.000 1.010 518 I CA -0.488 60.950 61.300 0.230 0.000 1.098 518 I CB 1.883 39.982 38.000 0.166 0.000 1.266 518 I HN 0.397 nan 8.210 nan 0.000 0.434 519 L N 5.973 127.372 121.223 0.293 0.000 2.385 519 L HA 0.462 4.802 4.340 0.000 0.000 0.273 519 L C 0.376 177.371 176.870 0.208 0.000 0.990 519 L CA -0.786 54.206 54.840 0.252 0.000 0.821 519 L CB 1.563 43.810 42.059 0.313 0.000 1.279 519 L HN 0.617 nan 8.230 nan 0.000 0.412 520 N N 2.732 121.501 118.700 0.115 0.000 2.714 520 N HA -0.222 4.518 4.740 0.000 0.000 0.252 520 N C -0.277 175.265 175.510 0.054 0.000 1.014 520 N CA 1.105 54.200 53.050 0.075 0.000 0.735 520 N CB -0.386 38.146 38.487 0.076 0.000 0.924 520 N HN 0.844 nan 8.380 nan 0.000 0.540 521 E N -2.562 117.664 120.200 0.044 0.000 2.660 521 E HA -0.236 4.114 4.350 0.000 0.000 0.260 521 E C -0.459 176.120 176.600 -0.035 0.000 1.122 521 E CA 1.507 57.914 56.400 0.011 0.000 0.755 521 E CB -1.525 28.178 29.700 0.005 0.000 1.345 521 E HN 0.634 nan 8.360 nan 0.000 0.421 522 T N -1.108 113.406 114.554 -0.066 0.000 2.863 522 T HA 0.539 4.889 4.350 0.000 0.000 0.285 522 T C -0.153 174.333 174.700 -0.356 0.000 1.009 522 T CA -1.363 60.590 62.100 -0.245 0.000 0.989 522 T CB 1.800 70.448 68.868 -0.367 0.000 1.004 522 T HN 0.171 nan 8.240 nan 0.000 0.455 523 K N 1.661 121.814 120.400 -0.413 0.000 2.205 523 K HA 0.574 4.894 4.320 0.000 0.000 0.279 523 K C -1.285 174.998 176.600 -0.527 0.000 1.027 523 K CA -0.608 55.439 56.287 -0.399 0.000 0.932 523 K CB 0.536 32.581 32.500 -0.758 0.000 1.032 523 K HN 0.477 nan 8.250 nan 0.000 0.466 524 F N 1.697 121.702 119.950 0.092 0.000 2.467 524 F HA 0.327 4.854 4.527 0.000 0.000 0.336 524 F C -0.414 175.499 175.800 0.188 0.000 1.123 524 F CA -0.861 57.221 58.000 0.138 0.000 0.964 524 F CB 0.979 40.075 39.000 0.160 0.000 1.136 524 F HN 0.502 nan 8.300 nan 0.000 0.447 525 W N 3.336 124.803 121.300 0.278 0.000 2.183 525 W HA 0.473 5.133 4.660 0.000 0.000 0.348 525 W C -0.564 176.187 176.519 0.387 0.000 1.257 525 W CA -0.339 57.194 57.345 0.313 0.000 1.324 525 W CB 0.441 30.005 29.460 0.173 0.000 1.144 525 W HN 0.453 nan 8.180 nan 0.000 0.622 526 Y N -0.862 119.773 120.300 0.558 0.000 2.656 526 Y HA 0.562 5.112 4.550 0.000 0.000 0.334 526 Y C -1.070 175.055 175.900 0.376 0.000 1.179 526 Y CA -1.838 56.575 58.100 0.523 0.000 1.050 526 Y CB 0.916 39.834 38.460 0.764 0.000 1.308 526 Y HN 0.571 nan 8.280 nan 0.000 0.456 527 Q N 2.472 122.502 119.800 0.383 0.000 2.451 527 Q HA 0.828 5.168 4.340 0.000 0.000 0.281 527 Q C -1.790 174.320 176.000 0.183 0.000 1.099 527 Q CA -1.224 54.677 55.803 0.163 0.000 0.806 527 Q CB 3.455 32.261 28.738 0.113 0.000 1.419 527 Q HN 0.852 nan 8.270 nan 0.000 0.427 528 M N 2.150 121.776 119.600 0.043 0.000 2.324 528 M HA 0.436 4.916 4.480 0.000 0.000 0.288 528 M C -1.374 174.848 176.300 -0.131 0.000 1.097 528 M CA -0.857 54.410 55.300 -0.055 0.000 0.928 528 M CB 2.370 34.900 32.600 -0.116 0.000 1.648 528 M HN 0.608 nan 8.290 nan 0.000 0.460 529 I N 4.896 125.379 120.570 -0.145 0.000 2.297 529 I HA 0.399 4.569 4.170 0.000 0.000 0.291 529 I C -0.546 175.407 176.117 -0.274 0.000 1.033 529 I CA -0.329 60.860 61.300 -0.185 0.000 1.253 529 I CB 0.423 38.332 38.000 -0.150 0.000 1.396 529 I HN 0.640 nan 8.210 nan 0.000 0.476 530 L N 8.360 129.374 121.223 -0.349 0.000 2.295 530 L HA 0.460 4.800 4.340 0.000 0.000 0.285 530 L C -2.206 174.458 176.870 -0.343 0.000 1.035 530 L CA -1.805 52.723 54.840 -0.519 0.000 0.806 530 L CB 1.363 42.977 42.059 -0.742 0.000 1.214 530 L HN 0.272 nan 8.230 nan 0.000 0.426 531 P HA 0.090 nan 4.420 nan 0.000 0.269 531 P C -2.476 174.759 177.300 -0.109 0.000 1.215 531 P CA -1.052 61.955 63.100 -0.155 0.000 0.780 531 P CB -0.299 31.370 31.700 -0.051 0.000 0.898 532 P HA -0.084 nan 4.420 nan 0.000 0.268 532 P C -0.087 177.079 177.300 -0.223 0.000 1.208 532 P CA 0.696 63.624 63.100 -0.287 0.000 0.777 532 P CB -0.150 31.290 31.700 -0.433 0.000 0.875 533 H N -1.403 117.700 119.070 0.054 0.000 2.655 533 H HA -0.219 4.337 4.556 0.000 0.000 0.313 533 H C 0.019 175.401 175.328 0.090 0.000 1.141 533 H CA 0.133 56.215 56.048 0.055 0.000 1.138 533 H CB -2.584 27.203 29.762 0.041 0.000 1.446 533 H HN 0.404 nan 8.280 nan 0.000 0.415 534 F N 2.922 122.864 119.950 -0.012 0.000 2.557 534 F HA 0.159 4.686 4.527 0.000 0.000 0.384 534 F C 0.464 176.259 175.800 -0.008 0.000 1.057 534 F CA -0.673 57.272 58.000 -0.091 0.000 1.169 534 F CB 0.462 39.288 39.000 -0.291 0.000 1.070 534 F HN 0.169 nan 8.300 nan 0.000 0.554 535 D N 6.921 127.069 120.400 -0.420 0.000 2.412 535 D HA 0.089 4.729 4.640 0.000 0.000 0.224 535 D C 0.609 176.492 176.300 -0.695 0.000 1.093 535 D CA -0.585 53.159 54.000 -0.426 0.000 0.850 535 D CB 0.926 41.650 40.800 -0.128 0.000 1.046 535 D HN 0.660 nan 8.370 nan 0.000 0.507 536 K N 2.101 122.026 120.400 -0.792 0.000 2.611 536 K HA -0.040 4.280 4.320 0.000 0.000 0.193 536 K C 0.091 176.623 176.600 -0.114 0.000 1.026 536 K CA 0.238 56.140 56.287 -0.643 0.000 1.063 536 K CB -0.364 31.922 32.500 -0.358 0.000 0.839 536 K HN 0.226 nan 8.250 nan 0.000 0.505 537 S N -0.683 114.957 115.700 -0.100 0.000 2.855 537 S HA 0.308 4.778 4.470 0.000 0.000 0.249 537 S C -0.353 174.237 174.600 -0.017 0.000 1.033 537 S CA -0.807 57.388 58.200 -0.009 0.000 1.038 537 S CB 0.316 63.495 63.200 -0.034 0.000 0.960 537 S HN 0.174 nan 8.310 nan 0.000 0.548 538 K N 1.156 121.549 120.400 -0.012 0.000 2.238 538 K HA 0.516 4.836 4.320 0.000 0.000 0.239 538 K C -0.707 175.870 176.600 -0.038 0.000 0.987 538 K CA -0.967 55.253 56.287 -0.113 0.000 0.857 538 K CB 0.844 33.153 32.500 -0.319 0.000 1.154 538 K HN -0.086 nan 8.250 nan 0.000 0.439 539 K N 2.465 122.778 120.400 -0.145 0.000 2.299 539 K HA 0.225 4.545 4.320 0.000 0.000 0.268 539 K C -0.965 175.543 176.600 -0.153 0.000 1.075 539 K CA -0.177 56.076 56.287 -0.057 0.000 0.936 539 K CB 0.247 32.706 32.500 -0.068 0.000 1.228 539 K HN 0.456 nan 8.250 nan 0.000 0.454 540 Y N 3.114 123.463 120.300 0.081 0.000 2.335 540 Y HA 0.236 4.786 4.550 0.000 0.000 0.323 540 Y C -1.669 174.190 175.900 -0.069 0.000 1.224 540 Y CA -2.151 55.971 58.100 0.037 0.000 1.241 540 Y CB 0.641 39.181 38.460 0.134 0.000 1.235 540 Y HN 0.431 nan 8.280 nan 0.000 0.492 541 P HA 0.249 nan 4.420 nan 0.000 0.282 541 P C -1.271 175.920 177.300 -0.181 0.000 1.249 541 P CA -0.394 62.488 63.100 -0.364 0.000 0.806 541 P CB 1.543 32.746 31.700 -0.828 0.000 0.984 542 L N 2.984 124.121 121.223 -0.143 0.000 2.385 542 L HA 0.518 4.858 4.340 0.000 0.000 0.273 542 L C -1.223 175.842 176.870 0.325 0.000 0.990 542 L CA -0.887 54.013 54.840 0.100 0.000 0.821 542 L CB 1.416 43.527 42.059 0.086 0.000 1.279 542 L HN 0.238 nan 8.230 nan 0.000 0.412 543 L N 5.527 126.955 121.223 0.341 0.000 2.287 543 L HA 0.436 4.776 4.340 0.000 0.000 0.287 543 L C -1.116 175.984 176.870 0.384 0.000 1.022 543 L CA -0.899 54.192 54.840 0.418 0.000 0.814 543 L CB 1.729 43.994 42.059 0.342 0.000 1.217 543 L HN 0.601 nan 8.230 nan 0.000 0.420 544 L N 5.070 126.566 121.223 0.455 0.000 2.260 544 L HA 0.326 4.666 4.340 0.000 0.000 0.289 544 L C -0.461 176.643 176.870 0.390 0.000 1.057 544 L CA 0.055 55.150 54.840 0.425 0.000 0.811 544 L CB 0.991 43.343 42.059 0.489 0.000 1.184 544 L HN 0.464 nan 8.230 nan 0.000 0.429 545 D N 4.359 124.957 120.400 0.329 0.000 2.412 545 D HA 0.264 4.904 4.640 0.000 0.000 0.224 545 D C -1.035 175.331 176.300 0.110 0.000 1.093 545 D CA -0.044 54.072 54.000 0.194 0.000 0.850 545 D CB 1.182 42.166 40.800 0.307 0.000 1.046 545 D HN 0.308 nan 8.370 nan 0.000 0.507 546 V N 5.456 125.375 119.914 0.007 0.000 2.581 546 V HA 0.451 4.572 4.120 0.000 0.000 0.303 546 V C -0.776 175.404 176.094 0.143 0.000 1.041 546 V CA -0.341 62.025 62.300 0.109 0.000 0.907 546 V CB 1.618 33.511 31.823 0.117 0.000 0.994 546 V HN 0.680 nan 8.190 nan 0.000 0.442 547 Y N 5.334 125.685 120.300 0.084 0.000 2.972 547 Y HA 0.531 5.081 4.550 0.000 0.000 0.229 547 Y C 1.618 177.607 175.900 0.149 0.000 0.980 547 Y CA 1.060 59.230 58.100 0.117 0.000 1.475 547 Y CB 0.382 38.895 38.460 0.088 0.000 1.459 547 Y HN 0.955 nan 8.280 nan 0.000 0.460 548 A N 0.656 123.497 122.820 0.033 0.000 3.201 548 A HA -0.167 4.154 4.320 0.000 0.000 0.260 548 A C 0.913 178.222 177.584 -0.458 0.000 1.222 548 A CA 0.803 52.796 52.037 -0.072 0.000 1.124 548 A CB -2.616 16.430 19.000 0.078 0.000 1.155 548 A HN 0.927 nan 8.150 nan 0.000 0.924 549 G N -0.638 107.595 108.800 -0.945 0.000 2.636 549 G HA2 0.466 4.426 3.960 0.000 0.000 0.246 549 G HA3 0.466 4.426 3.960 0.000 0.000 0.246 549 G C -2.249 172.363 174.900 -0.480 0.000 1.216 549 G CA -0.658 43.648 45.100 -1.324 0.000 0.854 549 G HN 0.275 nan 8.290 nan 0.000 0.572 550 P HA 0.092 nan 4.420 nan 0.000 0.262 550 P C 0.548 177.796 177.300 -0.085 0.000 1.199 550 P CA 0.156 63.064 63.100 -0.321 0.000 0.763 550 P CB 0.612 31.810 31.700 -0.837 0.000 0.790 551 C N 2.668 121.945 119.300 -0.039 0.000 4.552 551 C HA -0.149 4.311 4.460 0.000 0.000 0.268 551 C C 1.030 176.082 174.990 0.105 0.000 1.288 551 C CA 1.136 60.090 59.018 -0.106 0.000 1.776 551 C CB -2.580 24.912 27.740 -0.415 0.000 1.415 551 C HN 0.770 nan 8.230 nan 0.000 0.729 552 S N 0.078 115.902 115.700 0.207 0.000 2.669 552 S HA 0.602 5.072 4.470 0.000 0.000 0.270 552 S C -0.539 174.243 174.600 0.303 0.000 1.225 552 S CA 0.314 58.718 58.200 0.339 0.000 0.991 552 S CB 1.616 65.078 63.200 0.437 0.000 0.987 552 S HN 0.888 nan 8.310 nan 0.000 0.552 553 Q N -0.069 119.923 119.800 0.320 0.000 2.759 553 Q HA 0.300 4.640 4.340 0.000 0.000 0.225 553 Q C -0.737 175.382 176.000 0.199 0.000 0.823 553 Q CA -0.616 55.352 55.803 0.275 0.000 0.828 553 Q CB 0.848 29.794 28.738 0.348 0.000 1.425 553 Q HN 0.612 nan 8.270 nan 0.000 0.449 554 K N 0.898 121.412 120.400 0.190 0.000 2.393 554 K HA 0.290 4.610 4.320 0.000 0.000 0.193 554 K C -0.123 176.567 176.600 0.150 0.000 1.026 554 K CA 0.531 56.916 56.287 0.162 0.000 1.064 554 K CB 1.003 33.622 32.500 0.197 0.000 0.833 554 K HN 0.514 nan 8.250 nan 0.000 0.521 555 A N 2.622 125.542 122.820 0.167 0.000 2.412 555 A HA 0.382 4.702 4.320 0.000 0.000 0.334 555 A C -0.776 176.870 177.584 0.103 0.000 1.419 555 A CA -0.625 51.513 52.037 0.168 0.000 0.930 555 A CB -0.045 19.115 19.000 0.266 0.000 1.149 555 A HN 0.244 nan 8.150 nan 0.000 0.515 556 D N -0.293 120.138 120.400 0.052 0.000 2.732 556 D HA 0.473 5.113 4.640 0.000 0.000 0.292 556 D C 0.566 176.861 176.300 -0.009 0.000 1.135 556 D CA 0.197 54.210 54.000 0.020 0.000 1.071 556 D CB 0.468 41.256 40.800 -0.019 0.000 1.457 556 D HN 0.114 nan 8.370 nan 0.000 0.547 557 T N -2.385 112.175 114.554 0.010 0.000 3.163 557 T HA 0.257 4.607 4.350 0.000 0.000 0.252 557 T C 0.533 175.181 174.700 -0.087 0.000 1.056 557 T CA -0.397 61.708 62.100 0.007 0.000 0.947 557 T CB -0.611 68.312 68.868 0.092 0.000 1.016 557 T HN 0.249 nan 8.240 nan 0.000 0.554 558 V N 2.414 122.170 119.914 -0.263 0.000 2.740 558 V HA 0.277 4.397 4.120 0.000 0.000 0.303 558 V C 0.150 176.183 176.094 -0.102 0.000 1.054 558 V CA -0.787 61.337 62.300 -0.294 0.000 1.106 558 V CB 0.084 31.632 31.823 -0.459 0.000 0.957 558 V HN 0.542 nan 8.190 nan 0.000 0.486 559 F N 6.077 125.925 119.950 -0.169 0.000 2.424 559 F HA 0.553 5.080 4.527 0.000 0.000 0.356 559 F C 0.482 176.219 175.800 -0.105 0.000 1.110 559 F CA -0.214 57.712 58.000 -0.123 0.000 1.161 559 F CB 0.287 39.224 39.000 -0.106 0.000 1.115 559 F HN 0.409 nan 8.300 nan 0.000 0.507 560 R N 6.527 126.544 120.500 -0.806 0.000 2.686 560 R HA 0.529 4.869 4.340 0.000 0.000 0.283 560 R C -1.605 174.270 176.300 -0.709 0.000 0.978 560 R CA -1.039 54.725 56.100 -0.560 0.000 0.897 560 R CB 2.155 32.275 30.300 -0.300 0.000 1.192 560 R HN 0.660 nan 8.270 nan 0.000 0.457 561 L N 4.297 125.278 121.223 -0.403 0.000 2.313 561 L HA 0.400 4.740 4.340 0.000 0.000 0.273 561 L C -0.752 176.040 176.870 -0.131 0.000 1.028 561 L CA -0.630 54.023 54.840 -0.311 0.000 0.871 561 L CB 0.507 42.536 42.059 -0.049 0.000 1.242 561 L HN 0.754 nan 8.230 nan 0.000 0.434 562 N N -0.077 118.460 118.700 -0.271 0.000 3.204 562 N HA 0.149 4.889 4.740 0.000 0.000 0.285 562 N C 0.144 175.321 175.510 -0.556 0.000 1.536 562 N CA -0.955 51.851 53.050 -0.405 0.000 0.832 562 N CB 0.223 38.612 38.487 -0.164 0.000 1.645 562 N HN 0.246 nan 8.380 nan 0.000 0.586 563 W N 0.623 121.293 121.300 -1.049 0.000 2.296 563 W HA -0.096 4.564 4.660 0.000 0.000 0.296 563 W C 1.945 178.412 176.519 -0.087 0.000 1.220 563 W CA 3.065 60.082 57.345 -0.546 0.000 1.223 563 W CB -0.931 28.359 29.460 -0.284 0.000 1.139 563 W HN 0.742 nan 8.180 nan 0.000 0.534 564 A N -1.029 121.750 122.820 -0.069 0.000 1.930 564 A HA -0.180 4.140 4.320 0.000 0.000 0.217 564 A C 1.968 179.427 177.584 -0.208 0.000 1.175 564 A CA 2.327 54.271 52.037 -0.155 0.000 0.627 564 A CB -1.245 17.734 19.000 -0.035 0.000 0.815 564 A HN 0.273 nan 8.150 nan 0.000 0.443 565 T N -1.074 113.345 114.554 -0.224 0.000 2.684 565 T HA -0.233 4.117 4.350 0.000 0.000 0.267 565 T C 1.802 176.447 174.700 -0.091 0.000 1.036 565 T CA 1.849 63.771 62.100 -0.296 0.000 1.148 565 T CB -0.531 67.953 68.868 -0.639 0.000 0.863 565 T HN 0.656 nan 8.240 nan 0.000 0.436 566 Y N 1.952 122.272 120.300 0.033 0.000 2.128 566 Y HA -0.093 4.457 4.550 0.000 0.000 0.284 566 Y C 2.003 177.876 175.900 -0.046 0.000 1.154 566 Y CA 1.118 59.313 58.100 0.159 0.000 1.149 566 Y CB -0.717 37.854 38.460 0.185 0.000 0.976 566 Y HN 0.127 nan 8.280 nan 0.000 0.505 567 L N -0.040 120.838 121.223 -0.575 0.000 2.131 567 L HA -0.199 4.141 4.340 0.000 0.000 0.210 567 L C 2.739 179.371 176.870 -0.397 0.000 1.092 567 L CA 1.134 55.569 54.840 -0.675 0.000 0.759 567 L CB -0.867 40.830 42.059 -0.603 0.000 0.903 567 L HN 0.437 nan 8.230 nan 0.000 0.435 568 A N -1.034 121.617 122.820 -0.282 0.000 1.850 568 A HA -0.167 4.153 4.320 0.000 0.000 0.212 568 A C 2.491 179.980 177.584 -0.159 0.000 1.208 568 A CA 1.488 53.407 52.037 -0.197 0.000 0.609 568 A CB -0.786 18.096 19.000 -0.197 0.000 0.860 568 A HN 0.305 nan 8.150 nan 0.000 0.448 569 S N -0.800 114.816 115.700 -0.139 0.000 2.359 569 S HA -0.170 4.300 4.470 0.000 0.000 0.222 569 S C 1.958 176.530 174.600 -0.048 0.000 1.038 569 S CA 2.546 60.706 58.200 -0.066 0.000 1.051 569 S CB -0.601 62.613 63.200 0.023 0.000 0.944 569 S HN 0.556 nan 8.310 nan 0.000 0.433 570 T N 0.957 115.452 114.554 -0.098 0.000 3.035 570 T HA 0.196 4.546 4.350 0.000 0.000 0.259 570 T C 1.248 175.870 174.700 -0.129 0.000 1.078 570 T CA 0.618 62.674 62.100 -0.074 0.000 1.132 570 T CB -0.008 68.864 68.868 0.008 0.000 0.900 570 T HN 0.383 nan 8.240 nan 0.000 0.480 571 E N 0.956 121.011 120.200 -0.241 0.000 2.526 571 E HA 0.172 4.522 4.350 0.000 0.000 0.208 571 E C -0.260 176.309 176.600 -0.052 0.000 0.997 571 E CA -0.105 56.201 56.400 -0.157 0.000 0.961 571 E CB -0.023 29.524 29.700 -0.254 0.000 1.030 571 E HN 0.511 nan 8.360 nan 0.000 0.483 572 N N 1.160 119.841 118.700 -0.032 0.000 2.688 572 N HA -0.196 4.544 4.740 0.000 0.000 0.258 572 N C -0.872 174.708 175.510 0.117 0.000 1.016 572 N CA 0.427 53.528 53.050 0.084 0.000 0.747 572 N CB -1.276 37.321 38.487 0.183 0.000 0.895 572 N HN 0.234 nan 8.380 nan 0.000 0.543 573 I N 0.760 121.337 120.570 0.011 0.000 2.474 573 I HA 0.391 4.561 4.170 0.000 0.000 0.294 573 I C 0.475 176.567 176.117 -0.041 0.000 1.005 573 I CA -0.996 60.325 61.300 0.035 0.000 1.113 573 I CB 1.515 39.548 38.000 0.055 0.000 1.289 573 I HN 0.082 nan 8.210 nan 0.000 0.436 574 I N 6.300 126.853 120.570 -0.029 0.000 2.396 574 I HA 0.184 4.354 4.170 0.000 0.000 0.289 574 I C -0.373 175.726 176.117 -0.030 0.000 1.056 574 I CA -0.497 60.735 61.300 -0.113 0.000 1.365 574 I CB 0.988 38.908 38.000 -0.134 0.000 1.407 574 I HN 0.176 nan 8.210 nan 0.000 0.509 575 V N 6.635 126.518 119.914 -0.053 0.000 2.328 575 V HA 0.584 4.704 4.120 0.000 0.000 0.278 575 V C 0.426 176.544 176.094 0.040 0.000 1.021 575 V CA -0.399 61.922 62.300 0.036 0.000 0.838 575 V CB 1.123 32.959 31.823 0.023 0.000 0.999 575 V HN 0.860 nan 8.190 nan 0.000 0.447 576 A N 4.101 126.980 122.820 0.099 0.000 2.337 576 A HA 0.951 5.271 4.320 0.000 0.000 0.331 576 A C -0.161 177.577 177.584 0.258 0.000 1.137 576 A CA -0.515 51.584 52.037 0.103 0.000 0.807 576 A CB 1.666 20.617 19.000 -0.083 0.000 1.250 576 A HN 0.689 nan 8.150 nan 0.000 0.468 577 S N -0.159 115.737 115.700 0.325 0.000 2.541 577 S HA 0.702 5.172 4.470 0.000 0.000 0.280 577 S C -1.498 173.443 174.600 0.567 0.000 1.112 577 S CA -0.311 58.125 58.200 0.393 0.000 0.925 577 S CB 1.312 64.680 63.200 0.280 0.000 1.067 577 S HN 0.737 nan 8.310 nan 0.000 0.479 578 F N 2.062 122.237 119.950 0.375 0.000 2.518 578 F HA 0.470 4.997 4.527 0.000 0.000 0.323 578 F C -1.261 174.726 175.800 0.311 0.000 1.129 578 F CA -0.865 57.372 58.000 0.395 0.000 0.920 578 F CB 1.362 40.551 39.000 0.315 0.000 1.160 578 F HN 0.397 nan 8.300 nan 0.000 0.440 579 D N 5.033 125.241 120.400 -0.319 0.000 2.500 579 D HA 0.297 4.937 4.640 0.000 0.000 0.219 579 D C 0.553 176.543 176.300 -0.516 0.000 1.137 579 D CA 0.178 54.043 54.000 -0.225 0.000 0.946 579 D CB 1.140 41.976 40.800 0.059 0.000 1.022 579 D HN 0.751 nan 8.370 nan 0.000 0.518 580 G N 1.075 109.569 108.800 -0.510 0.000 2.666 580 G HA2 0.203 4.163 3.960 0.000 0.000 0.207 580 G HA3 0.203 4.163 3.960 0.000 0.000 0.207 580 G C 0.275 175.112 174.900 -0.105 0.000 1.481 580 G CA -0.633 44.225 45.100 -0.403 0.000 1.071 580 G HN 0.271 nan 8.290 nan 0.000 0.572 581 R N -0.611 119.818 120.500 -0.118 0.000 2.590 581 R HA 0.396 4.736 4.340 0.000 0.000 0.274 581 R C 1.178 177.532 176.300 0.091 0.000 1.061 581 R CA 1.267 57.395 56.100 0.046 0.000 1.081 581 R CB 0.667 30.973 30.300 0.011 0.000 0.984 581 R HN 0.974 nan 8.270 nan 0.000 0.448 582 G N 1.170 110.031 108.800 0.102 0.000 2.279 582 G HA2 -0.327 3.633 3.960 0.000 0.000 0.223 582 G HA3 -0.327 3.633 3.960 0.000 0.000 0.223 582 G C 0.117 175.042 174.900 0.040 0.000 1.015 582 G CA 0.119 45.268 45.100 0.081 0.000 0.621 582 G HN 0.699 nan 8.290 nan 0.000 0.506 583 S N 0.573 116.304 115.700 0.051 0.000 2.576 583 S HA 0.592 5.062 4.470 0.000 0.000 0.272 583 S C 0.864 175.460 174.600 -0.007 0.000 1.352 583 S CA 0.454 58.686 58.200 0.052 0.000 1.021 583 S CB 1.710 64.970 63.200 0.101 0.000 0.887 583 S HN 1.681 nan 8.310 nan 0.000 0.542 584 G N -0.902 107.859 108.800 -0.066 0.000 2.705 584 G HA2 0.517 4.477 3.960 0.000 0.000 0.299 584 G HA3 0.517 4.477 3.960 0.000 0.000 0.299 584 G C -0.869 173.907 174.900 -0.206 0.000 1.315 584 G CA -1.018 43.881 45.100 -0.335 0.000 1.045 584 G HN 0.915 nan 8.290 nan 0.000 0.517 585 Y N -2.600 117.689 120.300 -0.018 0.000 4.929 585 Y HA -0.218 4.332 4.550 0.000 0.000 0.253 585 Y C 1.507 177.408 175.900 0.001 0.000 0.946 585 Y CA 1.101 59.201 58.100 -0.000 0.000 1.905 585 Y CB -1.867 36.611 38.460 0.030 0.000 1.400 585 Y HN 0.504 nan 8.280 nan 0.000 0.531 586 Q N 0.512 120.332 119.800 0.034 0.000 2.165 586 Q HA 0.501 4.841 4.340 0.000 0.000 0.245 586 Q C 1.022 176.922 176.000 -0.167 0.000 0.841 586 Q CA 0.260 56.082 55.803 0.033 0.000 1.078 586 Q CB 1.239 30.006 28.738 0.048 0.000 1.169 586 Q HN 0.548 nan 8.270 nan 0.000 0.475 587 G N 0.819 109.401 108.800 -0.363 0.000 2.787 587 G HA2 -0.234 3.726 3.960 0.000 0.000 0.685 587 G HA3 -0.234 3.726 3.960 0.000 0.000 0.685 587 G C -0.271 174.270 174.900 -0.597 0.000 1.437 587 G CA -0.439 44.174 45.100 -0.811 0.000 0.872 587 G HN 0.246 nan 8.290 nan 0.000 0.566 588 D N -0.100 119.906 120.400 -0.656 0.000 2.264 588 D HA -0.037 4.603 4.640 0.000 0.000 0.208 588 D C 2.216 178.240 176.300 -0.460 0.000 0.966 588 D CA 1.226 54.817 54.000 -0.681 0.000 0.864 588 D CB 0.046 40.423 40.800 -0.704 0.000 0.933 588 D HN 0.549 nan 8.370 nan 0.000 0.499 589 K N 0.300 120.499 120.400 -0.335 0.000 2.097 589 K HA -0.047 4.273 4.320 0.000 0.000 0.205 589 K C 1.952 178.487 176.600 -0.108 0.000 1.050 589 K CA 0.689 56.871 56.287 -0.175 0.000 0.938 589 K CB 0.100 32.521 32.500 -0.132 0.000 0.718 589 K HN 0.134 nan 8.250 nan 0.000 0.442 590 I N 0.257 120.753 120.570 -0.124 0.000 2.400 590 I HA -0.205 3.965 4.170 0.000 0.000 0.248 590 I C 2.548 178.656 176.117 -0.015 0.000 1.109 590 I CA 0.661 61.955 61.300 -0.009 0.000 1.425 590 I CB -0.188 37.827 38.000 0.026 0.000 1.094 590 I HN 0.284 nan 8.210 nan 0.000 0.425 591 M N 0.587 120.103 119.600 -0.139 0.000 2.064 591 M HA -0.208 4.272 4.480 0.000 0.000 0.260 591 M C 2.096 178.410 176.300 0.024 0.000 1.073 591 M CA 2.003 57.235 55.300 -0.113 0.000 1.124 591 M CB -0.357 32.058 32.600 -0.307 0.000 1.326 591 M HN 0.212 nan 8.290 nan 0.000 0.410 592 H N -0.450 118.525 119.070 -0.157 0.000 2.563 592 H HA 0.110 4.666 4.556 0.000 0.000 0.272 592 H C 1.714 177.063 175.328 0.036 0.000 1.005 592 H CA 0.138 56.103 56.048 -0.138 0.000 1.171 592 H CB -0.003 29.589 29.762 -0.283 0.000 1.351 592 H HN 0.541 nan 8.280 nan 0.000 0.602 593 A N 1.275 124.199 122.820 0.172 0.000 2.178 593 A HA -0.108 4.212 4.320 0.000 0.000 0.218 593 A C 2.002 179.800 177.584 0.357 0.000 1.157 593 A CA 1.004 53.166 52.037 0.209 0.000 0.689 593 A CB -0.694 18.378 19.000 0.121 0.000 0.787 593 A HN 0.608 nan 8.150 nan 0.000 0.465 594 I N -4.063 116.685 120.570 0.296 0.000 4.082 594 I HA 0.168 4.338 4.170 0.000 0.000 0.337 594 I C 0.520 176.728 176.117 0.152 0.000 1.352 594 I CA -0.573 60.867 61.300 0.234 0.000 1.097 594 I CB -0.327 37.775 38.000 0.169 0.000 1.048 594 I HN 0.120 nan 8.210 nan 0.000 0.393 595 N N 3.458 122.289 118.700 0.219 0.000 2.292 595 N HA -0.131 4.609 4.740 0.000 0.000 0.258 595 N C 0.216 175.738 175.510 0.020 0.000 1.261 595 N CA 0.750 53.913 53.050 0.188 0.000 0.845 595 N CB 0.340 38.921 38.487 0.156 0.000 1.064 595 N HN 0.387 nan 8.380 nan 0.000 0.471 596 R N 0.787 121.256 120.500 -0.051 0.000 3.863 596 R HA -0.206 4.134 4.340 0.000 0.000 0.313 596 R C 0.173 176.281 176.300 -0.320 0.000 1.202 596 R CA 0.977 56.957 56.100 -0.200 0.000 0.852 596 R CB -1.144 29.029 30.300 -0.212 0.000 1.292 596 R HN 0.688 nan 8.270 nan 0.000 0.519 597 R N 0.360 120.762 120.500 -0.163 0.000 2.470 597 R HA 0.147 4.487 4.340 0.000 0.000 0.354 597 R C -0.937 175.346 176.300 -0.029 0.000 1.058 597 R CA -0.497 55.575 56.100 -0.047 0.000 1.183 597 R CB 0.420 30.682 30.300 -0.063 0.000 1.398 597 R HN -0.104 nan 8.270 nan 0.000 0.679 598 L N 0.245 121.419 121.223 -0.083 0.000 2.439 598 L HA 0.361 4.701 4.340 0.000 0.000 0.269 598 L C 1.320 178.294 176.870 0.174 0.000 1.179 598 L CA 1.671 56.491 54.840 -0.033 0.000 0.828 598 L CB 1.082 42.925 42.059 -0.359 0.000 1.106 598 L HN 0.516 nan 8.230 nan 0.000 0.467 599 G N 1.215 110.209 108.800 0.324 0.000 2.221 599 G HA2 -0.316 3.644 3.960 0.000 0.000 0.265 599 G HA3 -0.316 3.644 3.960 0.000 0.000 0.265 599 G C 0.579 175.536 174.900 0.096 0.000 1.041 599 G CA 1.047 46.335 45.100 0.313 0.000 0.807 599 G HN 0.971 nan 8.290 nan 0.000 0.502 600 T N -4.353 110.220 114.554 0.032 0.000 3.447 600 T HA 0.421 4.771 4.350 0.000 0.000 0.218 600 T C 1.721 176.411 174.700 -0.017 0.000 0.972 600 T CA 1.033 63.078 62.100 -0.092 0.000 1.264 600 T CB 0.046 68.731 68.868 -0.304 0.000 1.284 600 T HN 0.098 nan 8.240 nan 0.000 0.361 601 F N 3.492 123.480 119.950 0.064 0.000 2.060 601 F HA 0.131 4.658 4.527 0.000 0.000 0.295 601 F C 2.855 178.680 175.800 0.041 0.000 1.120 601 F CA 1.322 59.348 58.000 0.043 0.000 1.205 601 F CB -0.747 38.280 39.000 0.045 0.000 0.986 601 F HN 0.425 nan 8.300 nan 0.000 0.470 602 E N 1.073 121.429 120.200 0.261 0.000 2.209 602 E HA -0.184 4.166 4.350 0.000 0.000 0.196 602 E C 2.235 178.929 176.600 0.157 0.000 0.993 602 E CA 1.576 58.086 56.400 0.184 0.000 0.819 602 E CB -1.399 28.400 29.700 0.165 0.000 0.745 602 E HN 0.361 nan 8.360 nan 0.000 0.477 603 V N 0.487 120.476 119.914 0.126 0.000 2.446 603 V HA -0.138 3.982 4.120 0.000 0.000 0.244 603 V C 2.054 178.178 176.094 0.051 0.000 1.039 603 V CA 1.852 64.184 62.300 0.054 0.000 1.045 603 V CB -0.221 31.579 31.823 -0.037 0.000 0.681 603 V HN 0.130 nan 8.190 nan 0.000 0.459 604 E N 0.113 120.359 120.200 0.077 0.000 2.085 604 E HA -0.246 4.104 4.350 0.000 0.000 0.194 604 E C 1.908 178.530 176.600 0.037 0.000 0.994 604 E CA 1.862 58.302 56.400 0.067 0.000 0.801 604 E CB -0.187 29.586 29.700 0.121 0.000 0.743 604 E HN 0.642 nan 8.360 nan 0.000 0.453 605 D N -0.052 120.383 120.400 0.059 0.000 2.219 605 D HA -0.139 4.501 4.640 0.000 0.000 0.205 605 D C 1.839 178.132 176.300 -0.012 0.000 0.970 605 D CA 0.791 54.802 54.000 0.018 0.000 0.851 605 D CB -0.059 40.797 40.800 0.093 0.000 0.943 605 D HN 0.035 nan 8.370 nan 0.000 0.488 606 Q N 0.005 119.851 119.800 0.078 0.000 2.083 606 Q HA 0.052 4.392 4.340 0.000 0.000 0.198 606 Q C 2.072 178.094 176.000 0.036 0.000 0.969 606 Q CA 0.752 56.610 55.803 0.091 0.000 0.838 606 Q CB -0.054 28.770 28.738 0.143 0.000 0.900 606 Q HN 0.317 nan 8.270 nan 0.000 0.436 607 I N 0.245 120.855 120.570 0.066 0.000 2.286 607 I HA -0.214 3.956 4.170 0.000 0.000 0.248 607 I C 2.176 178.246 176.117 -0.078 0.000 1.115 607 I CA 0.885 62.258 61.300 0.122 0.000 1.392 607 I CB -0.274 37.795 38.000 0.115 0.000 1.065 607 I HN 0.193 nan 8.210 nan 0.000 0.418 608 E N 1.471 121.572 120.200 -0.164 0.000 2.031 608 E HA -0.189 4.161 4.350 0.000 0.000 0.193 608 E C 2.314 178.627 176.600 -0.479 0.000 0.994 608 E CA 1.722 57.963 56.400 -0.264 0.000 0.800 608 E CB -0.319 29.238 29.700 -0.238 0.000 0.752 608 E HN 0.420 nan 8.360 nan 0.000 0.447 609 A N 1.070 123.432 122.820 -0.762 0.000 1.940 609 A HA -0.166 4.154 4.320 0.000 0.000 0.219 609 A C 2.419 179.269 177.584 -1.223 0.000 1.176 609 A CA 2.482 53.741 52.037 -1.295 0.000 0.631 609 A CB -0.767 17.100 19.000 -1.888 0.000 0.814 609 A HN 0.317 nan 8.150 nan 0.000 0.446 610 A N -0.198 122.270 122.820 -0.587 0.000 1.883 610 A HA -0.194 4.126 4.320 0.000 0.000 0.217 610 A C 2.262 179.641 177.584 -0.341 0.000 1.186 610 A CA 1.559 53.408 52.037 -0.313 0.000 0.624 610 A CB -0.506 18.387 19.000 -0.179 0.000 0.822 610 A HN 0.565 nan 8.150 nan 0.000 0.444 611 R N -0.670 119.625 120.500 -0.341 0.000 2.080 611 R HA -0.154 4.186 4.340 0.000 0.000 0.236 611 R C 2.398 178.536 176.300 -0.271 0.000 1.137 611 R CA 1.558 57.497 56.100 -0.268 0.000 0.943 611 R CB -0.490 29.677 30.300 -0.222 0.000 0.846 611 R HN 0.616 nan 8.270 nan 0.000 0.431 612 Q N -0.159 119.417 119.800 -0.374 0.000 2.181 612 Q HA -0.164 4.176 4.340 0.000 0.000 0.205 612 Q C 2.033 177.890 176.000 -0.237 0.000 0.980 612 Q CA 1.338 56.941 55.803 -0.334 0.000 0.862 612 Q CB -0.190 28.279 28.738 -0.448 0.000 0.905 612 Q HN 0.298 nan 8.270 nan 0.000 0.429 613 F N 1.058 120.838 119.950 -0.284 0.000 2.146 613 F HA -0.132 4.395 4.527 0.000 0.000 0.298 613 F C 2.770 178.376 175.800 -0.323 0.000 1.096 613 F CA 1.202 59.020 58.000 -0.304 0.000 1.275 613 F CB -1.209 37.650 39.000 -0.235 0.000 1.008 613 F HN 0.078 nan 8.300 nan 0.000 0.480 614 S N -0.281 115.369 115.700 -0.084 0.000 2.383 614 S HA -0.143 4.327 4.470 0.000 0.000 0.227 614 S C 1.955 176.456 174.600 -0.165 0.000 1.026 614 S CA 0.646 58.762 58.200 -0.140 0.000 0.981 614 S CB -0.478 62.643 63.200 -0.132 0.000 0.818 614 S HN 0.171 nan 8.310 nan 0.000 0.472 615 K N 1.035 121.344 120.400 -0.152 0.000 2.286 615 K HA 0.072 4.392 4.320 0.000 0.000 0.203 615 K C 1.742 178.250 176.600 -0.153 0.000 1.045 615 K CA 1.013 57.219 56.287 -0.135 0.000 0.935 615 K CB -0.456 31.970 32.500 -0.122 0.000 0.737 615 K HN 0.536 nan 8.250 nan 0.000 0.460 616 M N -1.071 118.387 119.600 -0.236 0.000 2.619 616 M HA -0.045 4.435 4.480 0.000 0.000 0.251 616 M C 1.314 177.387 176.300 -0.379 0.000 1.106 616 M CA 0.889 55.996 55.300 -0.321 0.000 1.086 616 M CB 0.122 32.422 32.600 -0.499 0.000 1.465 616 M HN 0.403 nan 8.290 nan 0.000 0.506 617 G N 1.026 109.644 108.800 -0.304 0.000 2.363 617 G HA2 -0.332 3.628 3.960 0.000 0.000 0.238 617 G HA3 -0.332 3.628 3.960 0.000 0.000 0.238 617 G C 0.524 175.388 174.900 -0.060 0.000 1.062 617 G CA 0.461 45.476 45.100 -0.141 0.000 0.629 617 G HN 0.597 nan 8.290 nan 0.000 0.514 618 F N 1.153 121.166 119.950 0.106 0.000 2.693 618 F HA 0.750 5.277 4.527 0.000 0.000 0.303 618 F C 0.293 176.228 175.800 0.225 0.000 1.143 618 F CA -1.124 56.988 58.000 0.186 0.000 1.389 618 F CB -0.075 39.108 39.000 0.305 0.000 1.060 618 F HN 0.114 nan 8.300 nan 0.000 0.535 619 V N 1.291 121.230 119.914 0.042 0.000 2.495 619 V HA 0.161 4.281 4.120 0.000 0.000 0.298 619 V C -0.494 175.599 176.094 -0.002 0.000 1.031 619 V CA -0.951 61.382 62.300 0.054 0.000 0.871 619 V CB 1.605 33.376 31.823 -0.087 0.000 0.988 619 V HN 0.058 nan 8.190 nan 0.000 0.432 620 D N 4.212 124.606 120.400 -0.010 0.000 2.357 620 D HA -0.010 4.630 4.640 0.000 0.000 0.265 620 D C 1.350 177.596 176.300 -0.091 0.000 1.334 620 D CA 0.650 54.606 54.000 -0.072 0.000 0.984 620 D CB 0.007 40.733 40.800 -0.124 0.000 1.077 620 D HN 0.628 nan 8.370 nan 0.000 0.514 621 N N 2.742 121.393 118.700 -0.081 0.000 2.122 621 N HA -0.297 4.443 4.740 0.000 0.000 0.199 621 N C 0.631 176.089 175.510 -0.086 0.000 1.007 621 N CA 1.531 54.528 53.050 -0.088 0.000 0.892 621 N CB 0.160 38.601 38.487 -0.076 0.000 1.050 621 N HN 0.337 nan 8.380 nan 0.000 0.468 622 K N 0.133 120.490 120.400 -0.072 0.000 2.493 622 K HA 0.243 4.563 4.320 0.000 0.000 0.207 622 K C -0.049 176.531 176.600 -0.034 0.000 1.033 622 K CA 0.191 56.450 56.287 -0.046 0.000 1.161 622 K CB 0.447 32.928 32.500 -0.031 0.000 0.873 622 K HN 0.007 nan 8.250 nan 0.000 0.491 623 R N 1.456 121.903 120.500 -0.087 0.000 2.655 623 R HA 0.365 4.705 4.340 0.000 0.000 0.261 623 R C -1.048 175.158 176.300 -0.156 0.000 1.624 623 R CA -0.197 55.808 56.100 -0.157 0.000 1.655 623 R CB 0.545 30.587 30.300 -0.430 0.000 1.356 623 R HN 0.204 nan 8.270 nan 0.000 0.684 624 I N 1.020 121.651 120.570 0.103 0.000 2.389 624 I HA 0.563 4.733 4.170 0.000 0.000 0.288 624 I C 0.174 176.594 176.117 0.505 0.000 0.999 624 I CA -0.811 60.614 61.300 0.208 0.000 1.129 624 I CB 1.815 39.781 38.000 -0.057 0.000 1.288 624 I HN 0.250 nan 8.210 nan 0.000 0.444 625 A N 7.158 130.381 122.820 0.672 0.000 2.344 625 A HA 0.938 5.258 4.320 0.000 0.000 0.307 625 A C -0.935 177.015 177.584 0.609 0.000 1.151 625 A CA -0.687 51.712 52.037 0.604 0.000 0.842 625 A CB 2.212 21.436 19.000 0.373 0.000 1.350 625 A HN 0.761 nan 8.150 nan 0.000 0.459 626 I N 0.127 120.966 120.570 0.449 0.000 2.752 626 I HA 0.660 4.830 4.170 0.000 0.000 0.295 626 I C -2.120 174.256 176.117 0.432 0.000 1.219 626 I CA -0.519 60.981 61.300 0.334 0.000 1.030 626 I CB 1.708 39.642 38.000 -0.109 0.000 1.259 626 I HN 0.944 nan 8.210 nan 0.000 0.423 627 W N 7.108 128.540 121.300 0.220 0.000 3.363 627 W HA 0.806 5.466 4.660 0.000 0.000 0.306 627 W C -1.484 175.196 176.519 0.268 0.000 1.253 627 W CA -0.871 56.616 57.345 0.236 0.000 1.195 627 W CB 0.926 30.567 29.460 0.302 0.000 1.366 627 W HN 0.829 nan 8.180 nan 0.000 0.551 628 G N 1.244 109.988 108.800 -0.093 0.000 2.623 628 G HA2 0.552 4.512 3.960 0.000 0.000 0.290 628 G HA3 0.552 4.512 3.960 0.000 0.000 0.290 628 G C -2.779 172.127 174.900 0.010 0.000 1.437 628 G CA -0.716 44.200 45.100 -0.306 0.000 0.798 628 G HN 0.607 nan 8.290 nan 0.000 0.488 629 W N 0.710 121.945 121.300 -0.108 0.000 2.819 629 W HA 0.571 5.231 4.660 0.000 0.000 0.337 629 W C 0.648 177.258 176.519 0.153 0.000 1.077 629 W CA 0.341 57.698 57.345 0.020 0.000 1.226 629 W CB 1.682 31.139 29.460 -0.005 0.000 1.419 629 W HN 1.063 nan 8.180 nan 0.000 0.502 630 S N 1.866 117.848 115.700 0.469 0.000 4.116 630 S HA -0.423 4.047 4.470 0.000 0.000 0.623 630 S C 0.833 175.569 174.600 0.226 0.000 1.933 630 S CA 1.529 59.988 58.200 0.432 0.000 4.224 630 S CB -1.550 62.033 63.200 0.638 0.000 0.208 630 S HN 0.750 nan 8.310 nan 0.000 0.527 631 Y N 2.893 123.241 120.300 0.079 0.000 2.151 631 Y HA -0.134 4.416 4.550 0.000 0.000 0.284 631 Y C 2.485 178.386 175.900 0.001 0.000 1.166 631 Y CA 2.576 60.645 58.100 -0.052 0.000 1.163 631 Y CB -1.100 37.123 38.460 -0.394 0.000 0.974 631 Y HN 0.581 nan 8.280 nan 0.000 0.511 632 G N -1.117 107.823 108.800 0.233 0.000 2.442 632 G HA2 -0.264 3.696 3.960 0.000 0.000 0.219 632 G HA3 -0.264 3.696 3.960 0.000 0.000 0.219 632 G C 1.924 176.907 174.900 0.139 0.000 1.141 632 G CA 0.859 46.079 45.100 0.200 0.000 0.763 632 G HN 0.610 nan 8.290 nan 0.000 0.554 633 G N -0.259 108.630 108.800 0.148 0.000 2.402 633 G HA2 -0.218 3.742 3.960 0.000 0.000 0.216 633 G HA3 -0.218 3.742 3.960 0.000 0.000 0.216 633 G C 1.605 176.563 174.900 0.096 0.000 1.162 633 G CA 1.079 46.240 45.100 0.102 0.000 0.777 633 G HN 0.430 nan 8.290 nan 0.000 0.539 634 Y N 1.477 121.723 120.300 -0.089 0.000 2.114 634 Y HA -0.149 4.401 4.550 0.000 0.000 0.284 634 Y C 2.761 178.599 175.900 -0.102 0.000 1.143 634 Y CA 1.663 59.656 58.100 -0.178 0.000 1.135 634 Y CB -0.547 37.659 38.460 -0.422 0.000 0.980 634 Y HN 0.035 nan 8.280 nan 0.000 0.499 635 V N -0.136 119.682 119.914 -0.159 0.000 2.233 635 V HA -0.372 3.748 4.120 0.000 0.000 0.247 635 V C 2.349 178.340 176.094 -0.172 0.000 1.050 635 V CA 2.587 64.772 62.300 -0.191 0.000 1.010 635 V CB -1.414 30.444 31.823 0.058 0.000 0.637 635 V HN 0.496 nan 8.190 nan 0.000 0.444 636 T N 0.157 114.671 114.554 -0.066 0.000 2.624 636 T HA -0.286 4.064 4.350 0.000 0.000 0.266 636 T C 2.097 176.736 174.700 -0.102 0.000 1.050 636 T CA 2.319 64.383 62.100 -0.061 0.000 1.163 636 T CB -0.390 68.522 68.868 0.073 0.000 0.861 636 T HN 0.531 nan 8.240 nan 0.000 0.443 637 S N 0.701 116.374 115.700 -0.046 0.000 2.355 637 S HA -0.012 4.458 4.470 0.000 0.000 0.222 637 S C 2.149 176.659 174.600 -0.149 0.000 1.031 637 S CA 0.999 59.184 58.200 -0.025 0.000 0.993 637 S CB -0.290 62.958 63.200 0.080 0.000 0.859 637 S HN 0.337 nan 8.310 nan 0.000 0.453 638 M N 1.017 120.447 119.600 -0.283 0.000 2.159 638 M HA -0.049 4.431 4.480 0.000 0.000 0.263 638 M C 2.182 178.314 176.300 -0.279 0.000 1.063 638 M CA 1.034 56.146 55.300 -0.313 0.000 1.110 638 M CB -1.414 30.898 32.600 -0.480 0.000 1.374 638 M HN 0.179 nan 8.290 nan 0.000 0.411 639 V N 0.757 120.499 119.914 -0.288 0.000 2.237 639 V HA -0.256 3.864 4.120 0.000 0.000 0.245 639 V C 2.519 178.400 176.094 -0.355 0.000 1.046 639 V CA 1.537 63.660 62.300 -0.296 0.000 1.007 639 V CB -0.723 30.856 31.823 -0.405 0.000 0.638 639 V HN 0.393 nan 8.190 nan 0.000 0.445 640 L N 0.581 121.531 121.223 -0.455 0.000 2.187 640 L HA -0.111 4.229 4.340 0.000 0.000 0.213 640 L C 2.392 178.713 176.870 -0.916 0.000 1.100 640 L CA 1.607 56.097 54.840 -0.584 0.000 0.765 640 L CB -0.887 40.806 42.059 -0.610 0.000 0.904 640 L HN 0.491 nan 8.230 nan 0.000 0.437 641 G N -1.179 107.073 108.800 -0.913 0.000 2.813 641 G HA2 -0.144 3.816 3.960 0.000 0.000 0.209 641 G HA3 -0.144 3.816 3.960 0.000 0.000 0.209 641 G C 1.662 176.354 174.900 -0.347 0.000 1.150 641 G CA 0.656 45.287 45.100 -0.782 0.000 0.785 641 G HN 0.465 nan 8.290 nan 0.000 0.535 642 S N -0.020 115.516 115.700 -0.273 0.000 2.522 642 S HA 0.260 4.730 4.470 0.000 0.000 0.227 642 S C 1.942 176.478 174.600 -0.106 0.000 0.986 642 S CA 0.971 59.083 58.200 -0.146 0.000 0.929 642 S CB -0.401 62.737 63.200 -0.104 0.000 0.769 642 S HN 1.356 nan 8.310 nan 0.000 0.529 643 G N 1.628 110.349 108.800 -0.132 0.000 2.321 643 G HA2 -0.331 3.629 3.960 0.000 0.000 0.287 643 G HA3 -0.331 3.629 3.960 0.000 0.000 0.287 643 G C 0.778 175.658 174.900 -0.033 0.000 1.018 643 G CA 0.794 45.848 45.100 -0.077 0.000 0.855 643 G HN 1.344 nan 8.290 nan 0.000 0.507 644 S N -1.110 114.584 115.700 -0.010 0.000 2.561 644 S HA 0.341 4.811 4.470 0.000 0.000 0.225 644 S C 2.399 177.004 174.600 0.008 0.000 0.977 644 S CA 1.223 59.430 58.200 0.011 0.000 0.926 644 S CB -0.032 63.198 63.200 0.050 0.000 0.769 644 S HN 2.305 nan 8.310 nan 0.000 0.533 645 G N 0.587 109.398 108.800 0.018 0.000 2.196 645 G HA2 -0.335 3.625 3.960 0.000 0.000 0.268 645 G HA3 -0.335 3.625 3.960 0.000 0.000 0.268 645 G C 0.825 175.713 174.900 -0.020 0.000 0.975 645 G CA 0.555 45.659 45.100 0.007 0.000 0.648 645 G HN 0.713 nan 8.290 nan 0.000 0.538 646 V N -0.803 119.081 119.914 -0.051 0.000 2.667 646 V HA 0.208 4.328 4.120 0.000 0.000 0.252 646 V C 1.093 176.939 176.094 -0.413 0.000 1.065 646 V CA 1.545 63.675 62.300 -0.282 0.000 1.083 646 V CB -0.395 31.138 31.823 -0.484 0.000 0.692 646 V HN 0.325 nan 8.190 nan 0.000 0.468 647 F N -0.608 119.356 119.950 0.024 0.000 2.482 647 F HA 0.429 4.956 4.527 0.000 0.000 0.331 647 F C 0.954 176.804 175.800 0.083 0.000 1.115 647 F CA -0.739 57.303 58.000 0.070 0.000 0.955 647 F CB 1.788 40.829 39.000 0.067 0.000 1.136 647 F HN -0.314 nan 8.300 nan 0.000 0.452 648 K N 1.533 122.113 120.400 0.299 0.000 2.098 648 K HA 0.111 4.431 4.320 0.000 0.000 0.203 648 K C -0.183 176.571 176.600 0.256 0.000 1.051 648 K CA 1.018 57.445 56.287 0.235 0.000 0.957 648 K CB 0.266 32.908 32.500 0.237 0.000 0.738 648 K HN 0.788 nan 8.250 nan 0.000 0.447 649 c N -3.025 115.769 118.600 0.323 0.000 3.321 649 c HA 0.868 5.438 4.570 0.000 0.000 0.329 649 c C -0.222 174.098 174.090 0.383 0.000 1.394 649 c CA -0.790 55.748 56.329 0.348 0.000 1.291 649 c CB 1.036 43.739 42.510 0.322 0.000 1.606 649 c HN 0.339 nan 8.230 nan 0.000 0.463 650 G N -0.186 108.880 108.800 0.444 0.000 2.692 650 G HA2 0.774 4.734 3.960 0.000 0.000 0.291 650 G HA3 0.774 4.734 3.960 0.000 0.000 0.291 650 G C -1.974 173.136 174.900 0.351 0.000 1.423 650 G CA -0.739 44.596 45.100 0.392 0.000 0.843 650 G HN 0.974 nan 8.290 nan 0.000 0.486 651 I N 0.894 121.648 120.570 0.308 0.000 2.468 651 I HA 0.562 4.732 4.170 0.000 0.000 0.285 651 I C 0.127 176.383 176.117 0.231 0.000 1.039 651 I CA -0.858 60.517 61.300 0.126 0.000 1.074 651 I CB 2.205 40.248 38.000 0.071 0.000 1.228 651 I HN 0.615 nan 8.210 nan 0.000 0.436 652 A N 6.664 129.533 122.820 0.083 0.000 2.273 652 A HA 0.762 5.082 4.320 0.000 0.000 0.315 652 A C -0.660 176.866 177.584 -0.097 0.000 1.256 652 A CA -0.492 51.595 52.037 0.084 0.000 0.851 652 A CB 0.945 20.061 19.000 0.193 0.000 1.172 652 A HN 0.442 nan 8.150 nan 0.000 0.508 653 V N 2.369 122.176 119.914 -0.177 0.000 2.347 653 V HA 0.551 4.671 4.120 0.000 0.000 0.280 653 V C 0.903 176.608 176.094 -0.648 0.000 1.021 653 V CA 0.423 62.386 62.300 -0.562 0.000 0.847 653 V CB 0.627 31.832 31.823 -1.030 0.000 0.990 653 V HN 2.066 nan 8.190 nan 0.000 0.444 654 A N 5.854 128.292 122.820 -0.638 0.000 2.610 654 A HA -0.094 4.226 4.320 0.000 0.000 0.299 654 A C -1.825 175.649 177.584 -0.183 0.000 1.487 654 A CA 0.266 51.870 52.037 -0.722 0.000 0.743 654 A CB -1.590 17.025 19.000 -0.641 0.000 1.070 654 A HN 0.607 nan 8.150 nan 0.000 0.439 655 P HA 0.398 nan 4.420 nan 0.000 0.278 655 P C 0.299 177.590 177.300 -0.015 0.000 1.238 655 P CA -0.088 63.017 63.100 0.009 0.000 0.794 655 P CB 1.218 32.946 31.700 0.047 0.000 0.955 656 V N 2.628 122.439 119.914 -0.172 0.000 2.715 656 V HA 0.044 4.164 4.120 0.000 0.000 0.299 656 V C 1.751 177.665 176.094 -0.299 0.000 1.054 656 V CA 1.159 63.208 62.300 -0.419 0.000 1.077 656 V CB 0.643 31.826 31.823 -1.067 0.000 0.972 656 V HN 0.845 nan 8.190 nan 0.000 0.484 657 S N 3.551 119.106 115.700 -0.242 0.000 2.619 657 S HA 0.259 4.729 4.470 0.000 0.000 0.238 657 S C 0.410 174.896 174.600 -0.190 0.000 1.068 657 S CA -0.356 57.788 58.200 -0.093 0.000 0.926 657 S CB 0.381 63.591 63.200 0.016 0.000 0.864 657 S HN 0.861 nan 8.310 nan 0.000 0.493 658 R N -1.139 119.143 120.500 -0.363 0.000 2.522 658 R HA 0.456 4.796 4.340 0.000 0.000 0.273 658 R C -0.915 175.102 176.300 -0.472 0.000 1.133 658 R CA -0.852 54.970 56.100 -0.463 0.000 0.969 658 R CB -0.353 29.702 30.300 -0.408 0.000 1.235 658 R HN 0.116 nan 8.270 nan 0.000 0.433 659 W N 1.541 122.774 121.300 -0.113 0.000 2.341 659 W HA -0.095 4.565 4.660 0.000 0.000 0.283 659 W C 1.151 177.787 176.519 0.195 0.000 1.215 659 W CA 1.191 58.554 57.345 0.031 0.000 1.211 659 W CB 0.124 29.566 29.460 -0.030 0.000 1.131 659 W HN 0.742 nan 8.180 nan 0.000 0.552 660 E N -1.075 119.286 120.200 0.268 0.000 2.265 660 E HA -0.213 4.137 4.350 0.000 0.000 0.196 660 E C 1.427 178.125 176.600 0.163 0.000 0.996 660 E CA 1.000 57.477 56.400 0.128 0.000 0.832 660 E CB -0.287 29.374 29.700 -0.065 0.000 0.756 660 E HN 0.389 nan 8.360 nan 0.000 0.491 661 Y N -1.409 118.981 120.300 0.150 0.000 2.475 661 Y HA 0.020 4.570 4.550 0.000 0.000 0.289 661 Y C 0.836 176.832 175.900 0.161 0.000 1.121 661 Y CA -0.167 57.996 58.100 0.105 0.000 1.257 661 Y CB -0.506 37.965 38.460 0.018 0.000 1.026 661 Y HN 0.026 nan 8.280 nan 0.000 0.555 662 Y N 2.159 122.611 120.300 0.253 0.000 2.334 662 Y HA 0.247 4.797 4.550 0.000 0.000 0.325 662 Y C 0.464 176.564 175.900 0.334 0.000 1.308 662 Y CA -1.928 56.325 58.100 0.255 0.000 1.389 662 Y CB 0.293 38.932 38.460 0.299 0.000 1.328 662 Y HN 0.220 nan 8.280 nan 0.000 0.532 663 D N -0.214 119.873 120.400 -0.522 0.000 2.368 663 D HA 0.072 4.712 4.640 0.000 0.000 0.240 663 D C 0.945 177.222 176.300 -0.038 0.000 1.169 663 D CA 0.422 54.197 54.000 -0.375 0.000 0.906 663 D CB 0.922 41.298 40.800 -0.706 0.000 1.187 663 D HN 0.483 nan 8.370 nan 0.000 0.435 664 S N 1.169 116.848 115.700 -0.036 0.000 2.345 664 S HA -0.187 4.283 4.470 0.000 0.000 0.219 664 S C 1.977 176.597 174.600 0.035 0.000 1.031 664 S CA 1.022 59.257 58.200 0.059 0.000 0.984 664 S CB -0.971 62.267 63.200 0.063 0.000 0.874 664 S HN 0.416 nan 8.310 nan 0.000 0.451 665 V N 1.032 120.907 119.914 -0.065 0.000 2.278 665 V HA -0.226 3.894 4.120 0.000 0.000 0.251 665 V C 2.298 178.298 176.094 -0.156 0.000 1.062 665 V CA 2.497 64.659 62.300 -0.231 0.000 1.038 665 V CB -1.039 30.503 31.823 -0.469 0.000 0.646 665 V HN 0.659 nan 8.190 nan 0.000 0.447 666 Y N 0.868 121.106 120.300 -0.104 0.000 2.130 666 Y HA -0.208 4.342 4.550 0.000 0.000 0.287 666 Y C 2.764 178.671 175.900 0.012 0.000 1.124 666 Y CA 2.340 60.451 58.100 0.018 0.000 1.118 666 Y CB -0.559 38.096 38.460 0.325 0.000 0.994 666 Y HN 0.187 nan 8.280 nan 0.000 0.497 667 T N 0.411 115.170 114.554 0.341 0.000 2.684 667 T HA -0.198 4.152 4.350 0.000 0.000 0.267 667 T C 1.552 176.220 174.700 -0.052 0.000 1.036 667 T CA 1.987 64.214 62.100 0.213 0.000 1.148 667 T CB -0.272 68.868 68.868 0.454 0.000 0.863 667 T HN 0.440 nan 8.240 nan 0.000 0.436 668 E N 0.422 120.613 120.200 -0.015 0.000 2.208 668 E HA -0.058 4.292 4.350 0.000 0.000 0.193 668 E C 2.306 178.772 176.600 -0.225 0.000 0.988 668 E CA 0.375 56.754 56.400 -0.036 0.000 0.828 668 E CB -0.096 29.630 29.700 0.043 0.000 0.763 668 E HN 0.334 nan 8.360 nan 0.000 0.478 669 R N 0.211 120.433 120.500 -0.465 0.000 2.133 669 R HA -0.225 4.115 4.340 0.000 0.000 0.247 669 R C 1.230 176.984 176.300 -0.909 0.000 1.151 669 R CA 1.726 57.354 56.100 -0.786 0.000 0.971 669 R CB -0.084 29.456 30.300 -1.268 0.000 0.866 669 R HN 0.237 nan 8.270 nan 0.000 0.447 670 Y N -2.096 117.889 120.300 -0.524 0.000 2.524 670 Y HA 0.229 4.779 4.550 0.000 0.000 0.270 670 Y C 1.785 177.485 175.900 -0.332 0.000 1.094 670 Y CA 0.099 57.894 58.100 -0.509 0.000 1.276 670 Y CB 0.396 38.442 38.460 -0.689 0.000 1.130 670 Y HN -0.028 nan 8.280 nan 0.000 0.536 671 M N -0.512 118.966 119.600 -0.205 0.000 2.308 671 M HA 0.359 4.839 4.480 0.000 0.000 0.269 671 M C 1.076 177.352 176.300 -0.041 0.000 1.040 671 M CA 0.771 55.931 55.300 -0.234 0.000 1.024 671 M CB -0.231 32.047 32.600 -0.537 0.000 1.465 671 M HN 0.337 nan 8.290 nan 0.000 0.517 672 G N 1.937 110.742 108.800 0.008 0.000 2.601 672 G HA2 -0.211 3.749 3.960 0.000 0.000 0.252 672 G HA3 -0.211 3.749 3.960 0.000 0.000 0.252 672 G C -0.524 174.493 174.900 0.196 0.000 1.294 672 G CA -0.799 44.346 45.100 0.075 0.000 0.912 672 G HN 0.227 nan 8.290 nan 0.000 0.574 673 L N 1.946 123.251 121.223 0.136 0.000 2.357 673 L HA 0.460 4.800 4.340 0.000 0.000 0.273 673 L C -1.397 175.477 176.870 0.007 0.000 1.080 673 L CA -2.042 52.840 54.840 0.069 0.000 0.803 673 L CB 0.714 42.780 42.059 0.012 0.000 1.174 673 L HN 0.459 nan 8.230 nan 0.000 0.443 674 P HA 0.097 nan 4.420 nan 0.000 0.220 674 P C -0.355 176.818 177.300 -0.211 0.000 1.806 674 P CA -0.091 62.657 63.100 -0.587 0.000 0.976 674 P CB -0.331 30.701 31.700 -1.113 0.000 1.952 675 T N -2.493 112.020 114.554 -0.069 0.000 2.930 675 T HA 0.510 4.860 4.350 0.000 0.000 0.290 675 T C -2.284 172.422 174.700 0.011 0.000 1.052 675 T CA -2.435 59.647 62.100 -0.030 0.000 1.017 675 T CB 1.898 70.754 68.868 -0.020 0.000 1.137 675 T HN -0.281 nan 8.240 nan 0.000 0.511 676 P HA -0.007 nan 4.420 nan 0.000 0.217 676 P C 0.896 178.214 177.300 0.030 0.000 1.150 676 P CA 0.970 64.086 63.100 0.026 0.000 0.832 676 P CB 0.013 31.723 31.700 0.017 0.000 0.787 677 E N -1.078 119.134 120.200 0.020 0.000 2.418 677 E HA -0.088 4.262 4.350 0.000 0.000 0.197 677 E C 1.270 177.885 176.600 0.024 0.000 1.026 677 E CA 0.775 57.186 56.400 0.018 0.000 0.862 677 E CB -0.404 29.302 29.700 0.009 0.000 0.799 677 E HN 0.338 nan 8.360 nan 0.000 0.518 678 D N -0.537 119.884 120.400 0.034 0.000 3.435 678 D HA 0.121 4.761 4.640 0.000 0.000 0.209 678 D C 0.102 176.447 176.300 0.074 0.000 1.157 678 D CA -0.213 53.813 54.000 0.044 0.000 1.322 678 D CB -0.017 40.809 40.800 0.043 0.000 0.924 678 D HN -0.015 nan 8.370 nan 0.000 0.180 679 N N 0.115 118.889 118.700 0.124 0.000 2.238 679 N HA 0.036 4.776 4.740 0.000 0.000 0.235 679 N C 1.395 177.104 175.510 0.331 0.000 1.209 679 N CA -0.134 53.026 53.050 0.183 0.000 0.879 679 N CB 0.664 39.229 38.487 0.130 0.000 1.136 679 N HN 0.031 nan 8.380 nan 0.000 0.517 680 L N 1.116 122.479 121.223 0.233 0.000 2.129 680 L HA -0.189 4.151 4.340 0.000 0.000 0.212 680 L C 1.428 178.439 176.870 0.235 0.000 1.087 680 L CA 1.910 56.873 54.840 0.206 0.000 0.757 680 L CB -0.488 41.607 42.059 0.060 0.000 0.896 680 L HN 0.201 nan 8.230 nan 0.000 0.434 681 D N -1.148 119.371 120.400 0.198 0.000 2.104 681 D HA -0.226 4.414 4.640 0.000 0.000 0.194 681 D C 2.001 178.383 176.300 0.137 0.000 0.994 681 D CA 1.760 55.845 54.000 0.141 0.000 0.830 681 D CB -0.306 40.560 40.800 0.111 0.000 0.959 681 D HN 0.604 nan 8.370 nan 0.000 0.452 682 H N -0.962 118.162 119.070 0.089 0.000 2.457 682 H HA -0.082 4.474 4.556 0.000 0.000 0.294 682 H C 1.900 177.261 175.328 0.056 0.000 1.064 682 H CA 0.615 56.685 56.048 0.037 0.000 1.330 682 H CB 0.093 29.835 29.762 -0.033 0.000 1.395 682 H HN 0.280 nan 8.280 nan 0.000 0.541 683 Y N 0.950 121.352 120.300 0.169 0.000 2.133 683 Y HA -0.158 4.392 4.550 0.000 0.000 0.287 683 Y C 2.685 178.644 175.900 0.098 0.000 1.134 683 Y CA 1.022 59.210 58.100 0.146 0.000 1.133 683 Y CB 0.068 38.591 38.460 0.105 0.000 0.987 683 Y HN -0.006 nan 8.280 nan 0.000 0.502 684 R N -0.170 120.464 120.500 0.224 0.000 2.075 684 R HA -0.144 4.196 4.340 0.000 0.000 0.232 684 R C 1.771 178.113 176.300 0.069 0.000 1.126 684 R CA 1.228 57.394 56.100 0.111 0.000 0.963 684 R CB -1.007 29.339 30.300 0.077 0.000 0.858 684 R HN 0.303 nan 8.270 nan 0.000 0.435 685 N N 0.973 119.702 118.700 0.049 0.000 2.453 685 N HA -0.100 4.640 4.740 0.000 0.000 0.183 685 N C 0.748 176.275 175.510 0.029 0.000 1.041 685 N CA 1.167 54.216 53.050 -0.001 0.000 0.900 685 N CB 0.061 38.493 38.487 -0.092 0.000 0.961 685 N HN 0.184 nan 8.380 nan 0.000 0.443 686 S N -1.635 114.121 115.700 0.092 0.000 2.601 686 S HA 0.136 4.606 4.470 0.000 0.000 0.244 686 S C 0.357 175.071 174.600 0.191 0.000 1.001 686 S CA -0.535 57.759 58.200 0.157 0.000 0.984 686 S CB -0.640 62.711 63.200 0.252 0.000 0.842 686 S HN 0.226 nan 8.310 nan 0.000 0.474 687 T N -1.487 113.128 114.554 0.101 0.000 2.899 687 T HA 0.515 4.865 4.350 0.000 0.000 0.284 687 T C 1.300 176.038 174.700 0.062 0.000 1.004 687 T CA -0.546 61.593 62.100 0.065 0.000 1.043 687 T CB 1.283 70.154 68.868 0.005 0.000 1.013 687 T HN -0.032 nan 8.240 nan 0.000 0.518 688 V N 1.982 121.930 119.914 0.056 0.000 2.379 688 V HA -0.122 3.998 4.120 0.000 0.000 0.245 688 V C 2.704 178.806 176.094 0.013 0.000 1.044 688 V CA 1.560 63.880 62.300 0.032 0.000 1.036 688 V CB -0.793 31.046 31.823 0.026 0.000 0.664 688 V HN 0.874 nan 8.190 nan 0.000 0.453 689 M N 1.060 120.650 119.600 -0.015 0.000 2.358 689 M HA -0.097 4.383 4.480 0.000 0.000 0.264 689 M C 2.257 178.553 176.300 -0.006 0.000 1.064 689 M CA 2.006 57.284 55.300 -0.036 0.000 1.093 689 M CB -2.072 30.510 32.600 -0.030 0.000 1.401 689 M HN 0.535 nan 8.290 nan 0.000 0.440 690 S N 0.988 116.695 115.700 0.011 0.000 2.447 690 S HA -0.063 4.407 4.470 0.000 0.000 0.233 690 S C 1.740 176.358 174.600 0.030 0.000 1.006 690 S CA 0.692 58.902 58.200 0.017 0.000 0.957 690 S CB -0.503 62.705 63.200 0.014 0.000 0.773 690 S HN 0.588 nan 8.310 nan 0.000 0.507 691 R N 0.793 121.328 120.500 0.059 0.000 2.388 691 R HA 0.493 4.833 4.340 0.000 0.000 0.247 691 R C 2.075 178.504 176.300 0.215 0.000 0.931 691 R CA 0.440 56.598 56.100 0.097 0.000 1.082 691 R CB -0.317 30.029 30.300 0.077 0.000 1.135 691 R HN 0.434 nan 8.270 nan 0.000 0.525 692 A N 1.461 124.359 122.820 0.130 0.000 1.903 692 A HA -0.313 4.007 4.320 0.000 0.000 0.219 692 A C 2.038 179.733 177.584 0.184 0.000 1.191 692 A CA 2.036 54.121 52.037 0.081 0.000 0.638 692 A CB -0.329 18.640 19.000 -0.051 0.000 0.823 692 A HN 0.311 nan 8.150 nan 0.000 0.451 693 E N 0.500 120.768 120.200 0.112 0.000 2.097 693 E HA -0.209 4.141 4.350 0.000 0.000 0.196 693 E C 1.579 178.241 176.600 0.103 0.000 1.000 693 E CA 1.997 58.451 56.400 0.091 0.000 0.804 693 E CB -0.561 29.171 29.700 0.053 0.000 0.740 693 E HN 0.800 nan 8.360 nan 0.000 0.454 694 N N -1.268 117.483 118.700 0.086 0.000 2.550 694 N HA -0.048 4.692 4.740 0.000 0.000 0.186 694 N C 0.769 176.253 175.510 -0.045 0.000 1.110 694 N CA 0.104 53.150 53.050 -0.006 0.000 0.912 694 N CB -0.094 38.332 38.487 -0.100 0.000 0.968 694 N HN 0.154 nan 8.380 nan 0.000 0.448 695 F N 1.406 121.320 119.950 -0.059 0.000 2.604 695 F HA 0.052 4.579 4.527 0.000 0.000 0.298 695 F C 1.878 177.686 175.800 0.013 0.000 1.131 695 F CA 0.536 58.497 58.000 -0.066 0.000 1.457 695 F CB 0.098 39.020 39.000 -0.131 0.000 1.095 695 F HN -0.079 nan 8.300 nan 0.000 0.574 696 K N 0.150 120.655 120.400 0.174 0.000 2.362 696 K HA -0.228 4.092 4.320 0.000 0.000 0.202 696 K C 1.152 177.816 176.600 0.106 0.000 1.045 696 K CA 1.236 57.603 56.287 0.135 0.000 0.936 696 K CB -0.284 32.275 32.500 0.097 0.000 0.747 696 K HN 0.439 nan 8.250 nan 0.000 0.467 697 Q N 0.163 120.006 119.800 0.073 0.000 2.247 697 Q HA 0.069 4.409 4.340 0.000 0.000 0.204 697 Q C -0.066 175.978 176.000 0.074 0.000 0.872 697 Q CA -0.262 55.575 55.803 0.057 0.000 0.951 697 Q CB 1.032 29.782 28.738 0.021 0.000 1.099 697 Q HN 0.123 nan 8.270 nan 0.000 0.501 698 V N -3.671 116.308 119.914 0.108 0.000 3.130 698 V HA 0.516 4.636 4.120 0.000 0.000 0.310 698 V C -1.296 174.944 176.094 0.244 0.000 1.158 698 V CA -1.247 61.142 62.300 0.150 0.000 1.029 698 V CB 2.449 34.324 31.823 0.086 0.000 1.057 698 V HN -0.029 nan 8.190 nan 0.000 0.436 699 E N 1.778 122.153 120.200 0.291 0.000 2.115 699 E HA 0.435 4.785 4.350 0.000 0.000 0.282 699 E C -1.836 175.118 176.600 0.590 0.000 0.987 699 E CA -0.390 56.248 56.400 0.397 0.000 0.797 699 E CB 1.530 31.413 29.700 0.306 0.000 1.086 699 E HN 0.659 nan 8.360 nan 0.000 0.397 700 Y N 3.622 124.163 120.300 0.401 0.000 2.377 700 Y HA 0.428 4.978 4.550 0.000 0.000 0.339 700 Y C -1.283 174.715 175.900 0.164 0.000 1.011 700 Y CA -1.353 56.932 58.100 0.309 0.000 1.093 700 Y CB 0.892 39.548 38.460 0.327 0.000 1.201 700 Y HN 0.412 nan 8.280 nan 0.000 0.455 701 L N 7.974 128.976 121.223 -0.369 0.000 2.343 701 L HA 0.463 4.803 4.340 0.000 0.000 0.278 701 L C -1.734 174.741 176.870 -0.657 0.000 0.996 701 L CA -0.710 53.766 54.840 -0.607 0.000 0.831 701 L CB 1.214 42.635 42.059 -1.063 0.000 1.232 701 L HN 0.622 nan 8.230 nan 0.000 0.413 702 L N 6.361 127.273 121.223 -0.518 0.000 2.296 702 L HA 0.611 4.951 4.340 0.000 0.000 0.286 702 L C -0.893 175.877 176.870 -0.167 0.000 1.023 702 L CA -0.525 54.071 54.840 -0.407 0.000 0.812 702 L CB 1.733 43.602 42.059 -0.316 0.000 1.223 702 L HN 0.585 nan 8.230 nan 0.000 0.421 703 I N 3.225 123.710 120.570 -0.142 0.000 2.619 703 I HA 0.411 4.581 4.170 0.000 0.000 0.292 703 I C -1.216 174.898 176.117 -0.006 0.000 1.100 703 I CA -0.745 60.532 61.300 -0.039 0.000 1.043 703 I CB 2.352 40.299 38.000 -0.088 0.000 1.239 703 I HN 0.614 nan 8.210 nan 0.000 0.420 704 H N 2.192 121.317 119.070 0.092 0.000 3.086 704 H HA 0.485 5.041 4.556 0.000 0.000 0.353 704 H C -0.292 175.277 175.328 0.403 0.000 1.134 704 H CA -0.528 55.608 56.048 0.146 0.000 1.248 704 H CB 2.115 31.870 29.762 -0.012 0.000 1.878 704 H HN 0.790 nan 8.280 nan 0.000 0.527 705 G N 1.109 110.228 108.800 0.531 0.000 2.403 705 G HA2 0.186 4.146 3.960 0.000 0.000 0.259 705 G HA3 0.186 4.146 3.960 0.000 0.000 0.259 705 G C 1.172 176.366 174.900 0.489 0.000 1.244 705 G CA 0.169 45.553 45.100 0.473 0.000 0.849 705 G HN 0.756 nan 8.290 nan 0.000 0.532 706 T N -0.610 114.086 114.554 0.237 0.000 2.995 706 T HA 0.089 4.439 4.350 0.000 0.000 0.269 706 T C 1.700 176.358 174.700 -0.070 0.000 1.091 706 T CA 1.288 63.321 62.100 -0.112 0.000 1.128 706 T CB 0.137 68.874 68.868 -0.218 0.000 0.891 706 T HN 0.701 nan 8.240 nan 0.000 0.492 707 A N 1.089 123.945 122.820 0.061 0.000 2.684 707 A HA 0.313 4.633 4.320 0.000 0.000 0.288 707 A C 0.311 177.846 177.584 -0.081 0.000 1.337 707 A CA -0.532 51.496 52.037 -0.014 0.000 0.946 707 A CB -0.362 18.895 19.000 0.430 0.000 1.093 707 A HN 0.382 nan 8.150 nan 0.000 0.543 708 D N 1.517 121.902 120.400 -0.025 0.000 2.346 708 D HA 0.010 4.650 4.640 0.000 0.000 0.260 708 D C 0.207 176.468 176.300 -0.065 0.000 1.252 708 D CA 0.180 54.262 54.000 0.138 0.000 0.895 708 D CB 0.755 41.808 40.800 0.422 0.000 1.097 708 D HN 0.572 nan 8.370 nan 0.000 0.489 709 D N 2.036 122.451 120.400 0.026 0.000 2.350 709 D HA -0.078 4.562 4.640 0.000 0.000 0.213 709 D C 0.966 177.273 176.300 0.012 0.000 1.031 709 D CA 0.017 53.993 54.000 -0.039 0.000 0.861 709 D CB 0.292 41.014 40.800 -0.130 0.000 0.926 709 D HN 0.415 nan 8.370 nan 0.000 0.520 710 N N 0.096 118.884 118.700 0.147 0.000 2.426 710 N HA -0.015 4.725 4.740 0.000 0.000 0.205 710 N C -0.205 175.272 175.510 -0.054 0.000 1.040 710 N CA 0.129 53.287 53.050 0.181 0.000 0.990 710 N CB 0.772 39.342 38.487 0.138 0.000 1.215 710 N HN -0.191 nan 8.380 nan 0.000 0.491 711 V N 2.604 122.512 119.914 -0.009 0.000 2.304 711 V HA 0.196 4.316 4.120 0.000 0.000 0.262 711 V C -0.795 175.407 176.094 0.180 0.000 1.061 711 V CA -0.303 62.041 62.300 0.074 0.000 0.872 711 V CB -0.267 31.640 31.823 0.142 0.000 1.077 711 V HN 0.336 nan 8.190 nan 0.000 0.480 712 H N 2.851 121.927 119.070 0.009 0.000 2.929 712 H HA -0.018 4.538 4.556 0.000 0.000 0.358 712 H C 0.817 176.030 175.328 -0.191 0.000 1.111 712 H CA -0.041 55.934 56.048 -0.122 0.000 1.409 712 H CB 0.827 30.426 29.762 -0.272 0.000 1.373 712 H HN 0.584 nan 8.280 nan 0.000 0.610 713 F N 1.680 121.463 119.950 -0.278 0.000 2.154 713 F HA -0.310 4.217 4.527 0.000 0.000 0.301 713 F C 2.661 178.187 175.800 -0.457 0.000 1.087 713 F CA 1.889 59.523 58.000 -0.610 0.000 1.274 713 F CB -0.251 38.548 39.000 -0.334 0.000 1.009 713 F HN 0.683 nan 8.300 nan 0.000 0.485 714 Q N 0.120 119.805 119.800 -0.192 0.000 2.188 714 Q HA -0.376 3.964 4.340 0.000 0.000 0.217 714 Q C 2.123 177.871 176.000 -0.421 0.000 1.018 714 Q CA 2.718 58.337 55.803 -0.308 0.000 0.910 714 Q CB -0.424 28.090 28.738 -0.373 0.000 0.979 714 Q HN 0.594 nan 8.270 nan 0.000 0.413 715 Q N -0.355 119.228 119.800 -0.362 0.000 2.030 715 Q HA -0.147 4.193 4.340 0.000 0.000 0.204 715 Q C 2.372 178.250 176.000 -0.202 0.000 0.986 715 Q CA 1.843 57.539 55.803 -0.178 0.000 0.843 715 Q CB -0.270 28.452 28.738 -0.027 0.000 0.904 715 Q HN 0.363 nan 8.270 nan 0.000 0.420 716 S N 0.910 116.392 115.700 -0.362 0.000 2.382 716 S HA -0.106 4.364 4.470 0.000 0.000 0.228 716 S C 2.089 176.455 174.600 -0.390 0.000 1.027 716 S CA 0.946 58.933 58.200 -0.354 0.000 0.991 716 S CB -0.263 62.679 63.200 -0.430 0.000 0.823 716 S HN 0.501 nan 8.310 nan 0.000 0.469 717 A N 1.178 123.674 122.820 -0.541 0.000 1.978 717 A HA -0.150 4.170 4.320 0.000 0.000 0.220 717 A C 2.135 179.627 177.584 -0.154 0.000 1.170 717 A CA 1.215 53.073 52.037 -0.299 0.000 0.636 717 A CB -0.420 18.463 19.000 -0.194 0.000 0.810 717 A HN 0.363 nan 8.150 nan 0.000 0.448 718 Q N -0.508 119.201 119.800 -0.152 0.000 2.187 718 Q HA 0.011 4.351 4.340 0.000 0.000 0.199 718 Q C 2.136 178.096 176.000 -0.066 0.000 0.957 718 Q CA 0.915 56.681 55.803 -0.062 0.000 0.857 718 Q CB -0.296 28.458 28.738 0.027 0.000 0.929 718 Q HN 0.783 nan 8.270 nan 0.000 0.453 719 I N 1.041 121.547 120.570 -0.106 0.000 2.127 719 I HA -0.317 3.853 4.170 0.000 0.000 0.241 719 I C 2.592 178.572 176.117 -0.228 0.000 1.075 719 I CA 1.579 62.778 61.300 -0.167 0.000 1.334 719 I CB -0.578 37.322 38.000 -0.168 0.000 1.040 719 I HN 0.204 nan 8.210 nan 0.000 0.405 720 S N 1.015 116.605 115.700 -0.184 0.000 2.365 720 S HA -0.318 4.152 4.470 0.000 0.000 0.225 720 S C 2.076 176.668 174.600 -0.013 0.000 1.039 720 S CA 1.812 59.948 58.200 -0.106 0.000 1.033 720 S CB -0.504 62.765 63.200 0.116 0.000 0.887 720 S HN 0.385 nan 8.310 nan 0.000 0.447 721 K N 1.484 121.875 120.400 -0.015 0.000 2.026 721 K HA -0.009 4.311 4.320 0.000 0.000 0.208 721 K C 2.366 178.957 176.600 -0.016 0.000 1.048 721 K CA 1.220 57.511 56.287 0.007 0.000 0.929 721 K CB -0.743 31.755 32.500 -0.002 0.000 0.713 721 K HN 0.478 nan 8.250 nan 0.000 0.439 722 A N 1.130 123.913 122.820 -0.061 0.000 1.908 722 A HA -0.142 4.178 4.320 0.000 0.000 0.218 722 A C 2.096 179.626 177.584 -0.090 0.000 1.181 722 A CA 1.430 53.425 52.037 -0.071 0.000 0.627 722 A CB -0.629 18.314 19.000 -0.096 0.000 0.818 722 A HN 0.331 nan 8.150 nan 0.000 0.445 723 L N -0.746 120.372 121.223 -0.175 0.000 2.093 723 L HA -0.123 4.217 4.340 0.000 0.000 0.208 723 L C 2.481 179.368 176.870 0.029 0.000 1.085 723 L CA 0.822 55.560 54.840 -0.171 0.000 0.755 723 L CB -0.558 41.217 42.059 -0.475 0.000 0.904 723 L HN 0.238 nan 8.230 nan 0.000 0.435 724 V N -0.197 119.775 119.914 0.097 0.000 2.358 724 V HA -0.263 3.857 4.120 0.000 0.000 0.246 724 V C 1.935 178.076 176.094 0.078 0.000 1.047 724 V CA 1.765 64.151 62.300 0.143 0.000 1.035 724 V CB -0.451 31.457 31.823 0.142 0.000 0.658 724 V HN 0.422 nan 8.190 nan 0.000 0.452 725 D N -0.409 120.018 120.400 0.045 0.000 2.310 725 D HA -0.065 4.575 4.640 0.000 0.000 0.212 725 D C 1.703 178.023 176.300 0.033 0.000 0.965 725 D CA 0.845 54.864 54.000 0.033 0.000 0.879 725 D CB 0.258 41.070 40.800 0.019 0.000 0.921 725 D HN 0.355 nan 8.370 nan 0.000 0.510 726 V N -0.592 119.343 119.914 0.035 0.000 3.578 726 V HA 0.220 4.340 4.120 0.000 0.000 0.290 726 V C 1.346 177.474 176.094 0.058 0.000 1.376 726 V CA 0.597 62.920 62.300 0.039 0.000 1.083 726 V CB 0.395 32.235 31.823 0.030 0.000 0.911 726 V HN 0.301 nan 8.190 nan 0.000 0.433 727 G N 1.015 109.857 108.800 0.071 0.000 2.198 727 G HA2 -0.205 3.755 3.960 0.000 0.000 0.257 727 G HA3 -0.205 3.755 3.960 0.000 0.000 0.257 727 G C 0.057 175.024 174.900 0.112 0.000 1.042 727 G CA 0.301 45.452 45.100 0.085 0.000 0.791 727 G HN 0.402 nan 8.290 nan 0.000 0.502 728 V N 0.164 120.164 119.914 0.143 0.000 2.509 728 V HA 0.504 4.624 4.120 0.000 0.000 0.284 728 V C 0.484 176.760 176.094 0.303 0.000 1.047 728 V CA -0.533 61.881 62.300 0.191 0.000 0.952 728 V CB 1.778 33.700 31.823 0.164 0.000 0.988 728 V HN 0.366 nan 8.190 nan 0.000 0.469 729 D N 2.995 123.563 120.400 0.279 0.000 2.283 729 D HA 0.692 5.332 4.640 0.000 0.000 0.248 729 D C -0.622 175.955 176.300 0.461 0.000 1.072 729 D CA 0.228 54.396 54.000 0.281 0.000 0.929 729 D CB 1.021 41.911 40.800 0.151 0.000 1.182 729 D HN 0.375 nan 8.370 nan 0.000 0.433 730 F N -0.779 119.247 119.950 0.127 0.000 2.858 730 F HA 0.355 4.882 4.527 0.000 0.000 0.319 730 F C -1.950 173.901 175.800 0.085 0.000 1.166 730 F CA -1.184 56.907 58.000 0.151 0.000 0.899 730 F CB 0.606 39.715 39.000 0.182 0.000 1.332 730 F HN 0.228 nan 8.300 nan 0.000 0.461 731 Q N 2.150 121.970 119.800 0.034 0.000 2.337 731 Q HA 0.846 5.186 4.340 0.000 0.000 0.266 731 Q C -1.271 174.719 176.000 -0.017 0.000 1.023 731 Q CA -0.778 54.942 55.803 -0.138 0.000 0.829 731 Q CB 2.422 31.144 28.738 -0.026 0.000 1.306 731 Q HN 1.171 nan 8.270 nan 0.000 0.449 732 A N 2.597 125.373 122.820 -0.075 0.000 2.269 732 A HA 0.855 5.175 4.320 0.000 0.000 0.327 732 A C -0.641 176.931 177.584 -0.020 0.000 1.112 732 A CA -0.717 51.352 52.037 0.054 0.000 0.865 732 A CB 1.305 20.403 19.000 0.163 0.000 1.227 732 A HN 0.808 nan 8.150 nan 0.000 0.498 733 M N 0.809 120.407 119.600 -0.002 0.000 2.310 733 M HA 0.446 4.926 4.480 0.000 0.000 0.242 733 M C -1.610 174.661 176.300 -0.048 0.000 1.000 733 M CA -0.329 54.862 55.300 -0.182 0.000 0.970 733 M CB 0.867 33.331 32.600 -0.227 0.000 2.191 733 M HN 0.882 nan 8.290 nan 0.000 0.470 734 W N 4.204 125.416 121.300 -0.146 0.000 2.332 734 W HA 0.786 5.446 4.660 0.000 0.000 0.351 734 W C -1.839 174.488 176.519 -0.320 0.000 1.195 734 W CA -0.633 56.697 57.345 -0.025 0.000 1.334 734 W CB 0.382 29.859 29.460 0.028 0.000 1.206 734 W HN 0.607 nan 8.180 nan 0.000 0.637 735 Y N 1.618 122.084 120.300 0.276 0.000 2.402 735 Y HA 0.267 4.817 4.550 0.000 0.000 0.325 735 Y C 0.269 176.297 175.900 0.215 0.000 1.009 735 Y CA -1.137 57.024 58.100 0.101 0.000 1.278 735 Y CB 1.445 39.926 38.460 0.035 0.000 1.105 735 Y HN 0.409 nan 8.280 nan 0.000 0.476 736 T N 4.694 119.432 114.554 0.306 0.000 2.822 736 T HA -0.033 4.317 4.350 0.000 0.000 0.288 736 T C 0.231 175.018 174.700 0.147 0.000 0.991 736 T CA 0.869 63.102 62.100 0.222 0.000 1.176 736 T CB -0.144 68.792 68.868 0.113 0.000 0.951 736 T HN 0.719 nan 8.240 nan 0.000 0.526 737 D N 0.754 121.219 120.400 0.108 0.000 3.046 737 D HA -0.126 4.514 4.640 0.000 0.000 0.210 737 D C 0.389 176.823 176.300 0.223 0.000 1.124 737 D CA 1.153 55.169 54.000 0.026 0.000 0.986 737 D CB -0.353 40.270 40.800 -0.295 0.000 1.118 737 D HN 0.553 nan 8.370 nan 0.000 0.416 738 E N 0.906 121.248 120.200 0.237 0.000 2.349 738 E HA 0.301 4.651 4.350 0.000 0.000 0.265 738 E C 0.834 177.599 176.600 0.276 0.000 1.064 738 E CA -0.104 56.446 56.400 0.249 0.000 0.886 738 E CB 1.067 30.899 29.700 0.221 0.000 1.036 738 E HN 0.374 nan 8.360 nan 0.000 0.413 739 D N -0.554 120.014 120.400 0.281 0.000 2.570 739 D HA 0.012 4.652 4.640 0.000 0.000 0.266 739 D C 1.031 177.528 176.300 0.328 0.000 1.182 739 D CA -0.214 53.973 54.000 0.311 0.000 1.088 739 D CB -0.295 40.715 40.800 0.350 0.000 1.186 739 D HN 0.416 nan 8.370 nan 0.000 0.618 740 H N -1.432 117.802 119.070 0.273 0.000 2.491 740 H HA 0.140 4.696 4.556 0.000 0.000 0.290 740 H C 1.904 177.468 175.328 0.394 0.000 1.050 740 H CA 2.063 58.295 56.048 0.306 0.000 1.309 740 H CB -0.380 29.556 29.762 0.291 0.000 1.392 740 H HN 0.484 nan 8.280 nan 0.000 0.554 741 G N 0.111 109.070 108.800 0.264 0.000 2.511 741 G HA2 -0.067 3.893 3.960 0.000 0.000 0.217 741 G HA3 -0.067 3.893 3.960 0.000 0.000 0.217 741 G C 0.775 175.833 174.900 0.264 0.000 1.133 741 G CA 0.362 45.558 45.100 0.161 0.000 0.792 741 G HN 0.542 nan 8.290 nan 0.000 0.539 742 I N 0.147 120.881 120.570 0.274 0.000 5.158 742 I HA -0.336 3.834 4.170 0.000 0.000 0.126 742 I C 1.570 177.779 176.117 0.153 0.000 1.344 742 I CA 0.255 61.656 61.300 0.169 0.000 2.637 742 I CB -1.218 36.824 38.000 0.071 0.000 2.338 742 I HN 0.291 nan 8.210 nan 0.000 0.320 743 A N 0.878 123.776 122.820 0.131 0.000 2.390 743 A HA 0.239 4.559 4.320 0.000 0.000 0.232 743 A C 1.197 178.819 177.584 0.065 0.000 1.233 743 A CA 0.587 52.670 52.037 0.077 0.000 0.907 743 A CB 0.195 19.217 19.000 0.037 0.000 0.967 743 A HN 0.628 nan 8.150 nan 0.000 0.512 744 S N -0.271 115.485 115.700 0.095 0.000 2.576 744 S HA 0.157 4.627 4.470 0.000 0.000 0.272 744 S C 1.278 175.933 174.600 0.091 0.000 1.352 744 S CA 0.407 58.660 58.200 0.088 0.000 1.021 744 S CB 1.031 64.293 63.200 0.103 0.000 0.887 744 S HN 0.549 nan 8.310 nan 0.000 0.542 745 S N 1.751 117.494 115.700 0.073 0.000 2.359 745 S HA -0.186 4.284 4.470 0.000 0.000 0.223 745 S C 2.050 176.712 174.600 0.102 0.000 1.039 745 S CA 2.315 60.561 58.200 0.078 0.000 1.042 745 S CB -1.612 61.617 63.200 0.049 0.000 0.915 745 S HN 1.073 nan 8.310 nan 0.000 0.439 746 T N -0.773 113.830 114.554 0.082 0.000 2.985 746 T HA 0.319 4.669 4.350 0.000 0.000 0.266 746 T C 1.915 176.674 174.700 0.098 0.000 1.076 746 T CA 1.055 63.203 62.100 0.080 0.000 1.135 746 T CB -0.635 68.271 68.868 0.063 0.000 0.890 746 T HN 0.455 nan 8.240 nan 0.000 0.480 747 A N 1.609 124.479 122.820 0.084 0.000 1.872 747 A HA -0.033 4.287 4.320 0.000 0.000 0.214 747 A C 2.186 179.764 177.584 -0.011 0.000 1.187 747 A CA 1.819 53.868 52.037 0.021 0.000 0.614 747 A CB -1.274 17.709 19.000 -0.028 0.000 0.826 747 A HN 0.709 nan 8.150 nan 0.000 0.442 748 H N -0.205 118.855 119.070 -0.017 0.000 2.319 748 H HA -0.200 4.356 4.556 0.000 0.000 0.297 748 H C 2.089 177.461 175.328 0.075 0.000 1.097 748 H CA 2.483 58.554 56.048 0.039 0.000 1.285 748 H CB -0.325 29.466 29.762 0.048 0.000 1.368 748 H HN 0.549 nan 8.280 nan 0.000 0.495 749 Q N -1.124 118.616 119.800 -0.101 0.000 2.084 749 Q HA -0.195 4.145 4.340 0.000 0.000 0.202 749 Q C 2.327 178.287 176.000 -0.067 0.000 0.978 749 Q CA 1.601 57.318 55.803 -0.143 0.000 0.844 749 Q CB -0.207 28.508 28.738 -0.040 0.000 0.898 749 Q HN 0.630 nan 8.270 nan 0.000 0.426 750 H N 0.063 119.093 119.070 -0.067 0.000 2.357 750 H HA -0.091 4.465 4.556 0.000 0.000 0.301 750 H C 2.054 177.374 175.328 -0.014 0.000 1.082 750 H CA 1.490 57.533 56.048 -0.008 0.000 1.342 750 H CB -0.006 29.805 29.762 0.081 0.000 1.389 750 H HN 0.319 nan 8.280 nan 0.000 0.511 751 I N -0.006 120.557 120.570 -0.011 0.000 2.202 751 I HA -0.303 3.868 4.170 0.000 0.000 0.242 751 I C 1.883 177.811 176.117 -0.314 0.000 1.091 751 I CA 1.095 62.297 61.300 -0.164 0.000 1.368 751 I CB -0.293 37.411 38.000 -0.494 0.000 1.058 751 I HN 0.092 nan 8.210 nan 0.000 0.410 752 Y N 1.103 121.225 120.300 -0.296 0.000 2.224 752 Y HA -0.237 4.313 4.550 0.000 0.000 0.289 752 Y C 2.735 178.495 175.900 -0.233 0.000 1.146 752 Y CA 1.969 59.800 58.100 -0.449 0.000 1.182 752 Y CB -1.073 37.096 38.460 -0.485 0.000 0.983 752 Y HN 0.177 nan 8.280 nan 0.000 0.524 753 T N -1.570 112.962 114.554 -0.036 0.000 2.674 753 T HA -0.265 4.085 4.350 0.000 0.000 0.265 753 T C 1.621 176.341 174.700 0.033 0.000 1.039 753 T CA 1.978 64.071 62.100 -0.012 0.000 1.150 753 T CB -0.541 68.264 68.868 -0.105 0.000 0.864 753 T HN 0.425 nan 8.240 nan 0.000 0.427 754 H N 0.350 119.345 119.070 -0.126 0.000 2.387 754 H HA 0.096 4.652 4.556 0.000 0.000 0.299 754 H C 2.173 177.527 175.328 0.044 0.000 1.090 754 H CA 1.543 57.550 56.048 -0.067 0.000 1.332 754 H CB -0.245 29.474 29.762 -0.071 0.000 1.386 754 H HN 0.261 nan 8.280 nan 0.000 0.516 755 M N -0.972 118.606 119.600 -0.038 0.000 2.099 755 M HA -0.158 4.322 4.480 0.000 0.000 0.262 755 M C 2.492 178.946 176.300 0.256 0.000 1.067 755 M CA 1.587 56.866 55.300 -0.035 0.000 1.124 755 M CB 0.089 32.468 32.600 -0.369 0.000 1.353 755 M HN 0.183 nan 8.290 nan 0.000 0.410 756 S N -0.702 115.227 115.700 0.382 0.000 2.359 756 S HA -0.278 4.192 4.470 0.000 0.000 0.222 756 S C 1.759 176.536 174.600 0.295 0.000 1.038 756 S CA 2.006 60.517 58.200 0.520 0.000 1.051 756 S CB -0.767 62.754 63.200 0.535 0.000 0.944 756 S HN 0.585 nan 8.310 nan 0.000 0.433 757 H N 0.239 119.386 119.070 0.128 0.000 2.353 757 H HA -0.161 4.395 4.556 0.000 0.000 0.298 757 H C 1.907 177.247 175.328 0.019 0.000 1.103 757 H CA 2.009 58.088 56.048 0.051 0.000 1.293 757 H CB -0.395 29.368 29.762 0.002 0.000 1.372 757 H HN 0.402 nan 8.280 nan 0.000 0.501 758 F N 0.393 120.347 119.950 0.007 0.000 2.134 758 F HA -0.187 4.340 4.527 0.000 0.000 0.299 758 F C 2.088 177.822 175.800 -0.109 0.000 1.097 758 F CA 1.303 59.266 58.000 -0.062 0.000 1.264 758 F CB -0.249 38.685 39.000 -0.110 0.000 1.001 758 F HN 0.196 nan 8.300 nan 0.000 0.479 759 I N 0.740 121.303 120.570 -0.011 0.000 2.202 759 I HA -0.247 3.923 4.170 0.000 0.000 0.242 759 I C 2.285 178.179 176.117 -0.373 0.000 1.091 759 I CA 1.373 62.508 61.300 -0.276 0.000 1.368 759 I CB -1.039 36.889 38.000 -0.120 0.000 1.058 759 I HN 0.209 nan 8.210 nan 0.000 0.410 760 K N 0.220 120.515 120.400 -0.175 0.000 2.032 760 K HA -0.256 4.064 4.320 0.000 0.000 0.209 760 K C 2.015 178.519 176.600 -0.159 0.000 1.048 760 K CA 1.474 57.695 56.287 -0.110 0.000 0.927 760 K CB -0.324 32.125 32.500 -0.084 0.000 0.712 760 K HN 0.399 nan 8.250 nan 0.000 0.441 761 Q N 0.448 120.072 119.800 -0.293 0.000 2.084 761 Q HA -0.185 4.155 4.340 0.000 0.000 0.202 761 Q C 2.333 178.194 176.000 -0.231 0.000 0.978 761 Q CA 1.504 57.143 55.803 -0.274 0.000 0.844 761 Q CB -0.130 28.406 28.738 -0.337 0.000 0.898 761 Q HN 0.409 nan 8.270 nan 0.000 0.426 762 c N -0.233 118.140 118.600 -0.379 0.000 2.432 762 c HA -0.036 4.534 4.570 0.000 0.000 0.280 762 c C 1.702 175.805 174.090 0.022 0.000 1.353 762 c CA 0.178 56.324 56.329 -0.304 0.000 1.766 762 c CB -1.029 41.121 42.510 -0.599 0.000 1.924 762 c HN 0.532 nan 8.230 nan 0.000 0.509 763 F N 1.603 121.487 119.950 -0.110 0.000 2.693 763 F HA 0.254 4.781 4.527 0.000 0.000 0.303 763 F C 1.669 177.435 175.800 -0.057 0.000 1.097 763 F CA 0.223 58.188 58.000 -0.057 0.000 1.330 763 F CB -1.210 37.769 39.000 -0.035 0.000 1.067 763 F HN 0.189 nan 8.300 nan 0.000 0.565 764 S N 0.782 116.540 115.700 0.096 0.000 3.533 764 S HA -0.230 4.240 4.470 0.000 0.000 0.347 764 S C 0.319 174.936 174.600 0.029 0.000 1.101 764 S CA 0.147 58.366 58.200 0.032 0.000 1.009 764 S CB -1.895 61.319 63.200 0.022 0.000 0.916 764 S HN 0.247 nan 8.310 nan 0.000 0.496 765 L N 1.752 123.002 121.223 0.045 0.000 2.350 765 L HA 0.467 4.807 4.340 0.000 0.000 0.275 765 L C -1.342 175.527 176.870 -0.001 0.000 1.099 765 L CA -1.493 53.366 54.840 0.032 0.000 0.808 765 L CB 0.747 42.842 42.059 0.061 0.000 1.149 765 L HN 0.078 nan 8.230 nan 0.000 0.442 766 P HA 0.000 nan 4.420 nan 0.000 0.216 766 P CA 0.000 63.101 63.100 0.002 0.000 0.800 766 P CB 0.000 31.704 31.700 0.006 0.000 0.726