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 3d4l_1_B DATA FIRST_RESID 39 DATA SEQUENCE TRKTYTLTDY 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 T HA 0.000 nan 4.350 nan 0.000 0.228 39 T C 0.000 174.741 174.700 0.068 0.000 1.109 39 T CA 0.000 62.134 62.100 0.056 0.000 1.349 39 T CB 0.000 68.900 68.868 0.054 0.000 0.612 40 R N 2.106 122.654 120.500 0.079 0.000 2.756 40 R HA 0.254 4.592 4.340 -0.004 0.000 0.264 40 R C 1.012 177.367 176.300 0.091 0.000 1.026 40 R CA -0.420 55.729 56.100 0.082 0.000 1.121 40 R CB 0.666 31.014 30.300 0.080 0.000 0.999 40 R HN 0.654 nan 8.270 nan 0.000 0.449 41 K N 0.294 120.753 120.400 0.097 0.000 2.187 41 K HA 0.123 4.441 4.320 -0.004 0.000 0.247 41 K C 0.031 176.703 176.600 0.120 0.000 1.019 41 K CA -0.448 55.905 56.287 0.110 0.000 0.893 41 K CB 0.495 33.071 32.500 0.125 0.000 1.025 41 K HN 0.646 nan 8.250 nan 0.000 0.500 42 T N -2.403 112.232 114.554 0.134 0.000 2.937 42 T HA 0.180 4.528 4.350 -0.004 0.000 0.283 42 T C -0.863 173.968 174.700 0.218 0.000 1.012 42 T CA -0.813 61.378 62.100 0.153 0.000 0.997 42 T CB 0.560 69.514 68.868 0.143 0.000 1.136 42 T HN 0.541 nan 8.240 nan 0.000 0.551 43 Y N 2.495 122.865 120.300 0.116 0.000 2.504 43 Y HA 0.401 4.949 4.550 -0.004 0.000 0.351 43 Y C 0.879 176.934 175.900 0.259 0.000 0.988 43 Y CA -0.428 57.778 58.100 0.176 0.000 1.239 43 Y CB -0.185 38.338 38.460 0.104 0.000 1.128 43 Y HN 1.014 nan 8.280 nan 0.000 0.525 44 T N 2.223 116.756 114.554 -0.035 0.000 2.862 44 T HA 0.144 4.492 4.350 -0.004 0.000 0.276 44 T C 0.969 175.507 174.700 -0.270 0.000 0.974 44 T CA -0.713 61.392 62.100 0.009 0.000 0.966 44 T CB 1.145 69.999 68.868 -0.023 0.000 1.072 44 T HN 0.649 nan 8.240 nan 0.000 0.538 45 L N 0.887 121.743 121.223 -0.612 0.000 2.046 45 L HA 0.021 4.359 4.340 -0.004 0.000 0.208 45 L C 2.622 179.326 176.870 -0.276 0.000 1.077 45 L CA 2.171 56.582 54.840 -0.714 0.000 0.747 45 L CB -1.559 39.958 42.059 -0.904 0.000 0.896 45 L HN 0.958 nan 8.230 nan 0.000 0.432 46 T N -0.613 113.804 114.554 -0.227 0.000 2.788 46 T HA -0.163 4.185 4.350 -0.004 0.000 0.268 46 T C 1.501 176.103 174.700 -0.162 0.000 1.044 46 T CA 1.420 63.428 62.100 -0.154 0.000 1.139 46 T CB -0.407 68.393 68.868 -0.114 0.000 0.867 46 T HN 0.380 nan 8.240 nan 0.000 0.454 47 D N 0.171 120.438 120.400 -0.222 0.000 2.104 47 D HA -0.095 4.543 4.640 -0.004 0.000 0.194 47 D C 1.746 177.947 176.300 -0.165 0.000 0.994 47 D CA 1.059 54.904 54.000 -0.260 0.000 0.830 47 D CB -0.426 40.123 40.800 -0.418 0.000 0.959 47 D HN 0.421 nan 8.370 nan 0.000 0.452 48 Y N 1.490 121.598 120.300 -0.320 0.000 2.114 48 Y HA -0.113 4.435 4.550 -0.003 0.000 0.284 48 Y C 2.186 178.095 175.900 0.015 0.000 1.143 48 Y CA 1.284 59.374 58.100 -0.015 0.000 1.135 48 Y CB -0.628 37.883 38.460 0.085 0.000 0.980 48 Y HN -0.092 nan 8.280 nan 0.000 0.499 49 L N -0.026 121.037 121.223 -0.267 0.000 2.201 49 L HA -0.162 4.176 4.340 -0.004 0.000 0.212 49 L C 1.866 178.635 176.870 -0.168 0.000 1.105 49 L CA 1.240 55.904 54.840 -0.293 0.000 0.775 49 L CB -0.434 41.522 42.059 -0.172 0.000 0.913 49 L HN 0.094 nan 8.230 nan 0.000 0.440 50 K N -0.331 119.991 120.400 -0.130 0.000 2.358 50 K HA 0.065 4.382 4.320 -0.004 0.000 0.197 50 K C 0.229 176.780 176.600 -0.081 0.000 1.025 50 K CA -0.055 56.175 56.287 -0.094 0.000 1.104 50 K CB -0.275 32.171 32.500 -0.091 0.000 0.855 50 K HN 0.280 nan 8.250 nan 0.000 0.531 51 N N 1.855 120.515 118.700 -0.066 0.000 2.738 51 N HA -0.227 4.511 4.740 -0.004 0.000 0.249 51 N C 0.688 176.183 175.510 -0.025 0.000 1.047 51 N CA 0.480 53.530 53.050 -0.000 0.000 0.707 51 N CB -0.459 38.022 38.487 -0.010 0.000 0.937 51 N HN 0.370 nan 8.380 nan 0.000 0.545 52 T N -2.475 112.011 114.554 -0.114 0.000 2.788 52 T HA -0.166 4.182 4.350 -0.004 0.000 0.268 52 T C 0.642 175.152 174.700 -0.317 0.000 1.044 52 T CA 1.145 63.075 62.100 -0.283 0.000 1.139 52 T CB -0.202 68.372 68.868 -0.491 0.000 0.867 52 T HN 0.337 nan 8.240 nan 0.000 0.454 53 Y N 2.130 122.522 120.300 0.153 0.000 2.594 53 Y HA 0.567 5.115 4.550 -0.003 0.000 0.342 53 Y C 0.593 176.596 175.900 0.172 0.000 1.010 53 Y CA -1.475 56.735 58.100 0.183 0.000 1.270 53 Y CB 0.394 39.021 38.460 0.279 0.000 1.125 53 Y HN 0.085 nan 8.280 nan 0.000 0.513 54 R N 2.677 123.310 120.500 0.222 0.000 2.254 54 R HA 0.410 4.747 4.340 -0.004 0.000 0.318 54 R C -1.093 175.311 176.300 0.174 0.000 1.031 54 R CA -0.852 55.347 56.100 0.166 0.000 0.905 54 R CB 0.541 30.898 30.300 0.095 0.000 1.050 54 R HN 0.526 nan 8.270 nan 0.000 0.456 55 L N 4.390 125.718 121.223 0.175 0.000 2.319 55 L HA 0.268 4.606 4.340 -0.004 0.000 0.280 55 L C -0.330 176.617 176.870 0.130 0.000 1.099 55 L CA 0.436 55.382 54.840 0.176 0.000 0.828 55 L CB 0.917 43.099 42.059 0.206 0.000 1.150 55 L HN 0.547 nan 8.230 nan 0.000 0.442 56 K N 4.436 124.906 120.400 0.118 0.000 2.110 56 K HA 0.686 5.004 4.320 -0.004 0.000 0.263 56 K C -0.854 175.777 176.600 0.052 0.000 0.975 56 K CA -0.652 55.678 56.287 0.072 0.000 0.895 56 K CB 1.439 33.976 32.500 0.062 0.000 1.060 56 K HN 0.441 nan 8.250 nan 0.000 0.448 57 L N -0.793 120.378 121.223 -0.087 0.000 2.170 57 L HA 0.598 4.936 4.340 -0.004 0.000 0.247 57 L C -1.140 175.402 176.870 -0.546 0.000 1.078 57 L CA -0.969 53.613 54.840 -0.430 0.000 0.936 57 L CB 0.339 42.315 42.059 -0.138 0.000 1.528 57 L HN 0.521 nan 8.230 nan 0.000 0.455 58 Y N -0.142 119.566 120.300 -0.988 0.000 2.484 58 Y HA 0.598 5.146 4.550 -0.004 0.000 0.348 58 Y C -0.995 174.746 175.900 -0.264 0.000 1.103 58 Y CA -0.429 57.366 58.100 -0.508 0.000 1.317 58 Y CB 1.347 39.410 38.460 -0.662 0.000 1.096 58 Y HN 0.605 nan 8.280 nan 0.000 0.568 59 S N 6.442 122.082 115.700 -0.100 0.000 2.399 59 S HA 0.497 4.964 4.470 -0.004 0.000 0.301 59 S C -0.566 174.004 174.600 -0.050 0.000 1.093 59 S CA -0.582 57.593 58.200 -0.043 0.000 1.077 59 S CB -0.282 62.891 63.200 -0.044 0.000 0.980 59 S HN 0.549 nan 8.310 nan 0.000 0.494 60 L N 1.319 122.480 121.223 -0.103 0.000 2.332 60 L HA 0.767 5.105 4.340 -0.004 0.000 0.269 60 L C -0.110 176.659 176.870 -0.168 0.000 1.016 60 L CA -0.900 53.826 54.840 -0.191 0.000 0.809 60 L CB 0.639 42.273 42.059 -0.708 0.000 1.280 60 L HN 0.309 nan 8.230 nan 0.000 0.447 61 R N 0.630 121.072 120.500 -0.097 0.000 2.435 61 R HA 0.346 4.683 4.340 -0.004 0.000 0.308 61 R C -1.703 174.619 176.300 0.037 0.000 0.975 61 R CA -0.298 55.797 56.100 -0.008 0.000 0.867 61 R CB 1.125 31.458 30.300 0.056 0.000 1.171 61 R HN 0.671 nan 8.270 nan 0.000 0.470 62 W N 4.339 125.738 121.300 0.166 0.000 2.251 62 W HA 0.102 4.760 4.660 -0.003 0.000 0.327 62 W C 1.569 178.173 176.519 0.141 0.000 1.361 62 W CA -0.346 57.111 57.345 0.187 0.000 1.234 62 W CB 0.467 30.028 29.460 0.168 0.000 1.212 62 W HN 0.658 nan 8.180 nan 0.000 0.557 63 I N 0.340 121.137 120.570 0.378 0.000 4.139 63 I HA 0.309 4.476 4.170 -0.004 0.000 0.335 63 I C 0.676 176.929 176.117 0.226 0.000 1.327 63 I CA -0.040 61.393 61.300 0.221 0.000 1.112 63 I CB -0.052 38.008 38.000 0.100 0.000 1.058 63 I HN 0.261 nan 8.210 nan 0.000 0.396 64 S N -0.579 115.305 115.700 0.307 0.000 2.815 64 S HA 0.284 4.752 4.470 -0.004 0.000 0.296 64 S C -0.144 174.560 174.600 0.174 0.000 1.224 64 S CA -0.116 58.220 58.200 0.227 0.000 0.938 64 S CB 1.190 64.547 63.200 0.262 0.000 1.285 64 S HN 0.058 nan 8.310 nan 0.000 0.549 65 D N -0.374 120.019 120.400 -0.011 0.000 2.349 65 D HA 0.206 4.844 4.640 -0.004 0.000 0.215 65 D C 0.848 176.979 176.300 -0.282 0.000 1.016 65 D CA 0.779 54.602 54.000 -0.294 0.000 0.870 65 D CB -0.009 40.491 40.800 -0.501 0.000 0.917 65 D HN 0.634 nan 8.370 nan 0.000 0.524 66 H N -1.825 117.444 119.070 0.332 0.000 3.367 66 H HA 0.372 4.926 4.556 -0.004 0.000 0.257 66 H C -0.271 175.242 175.328 0.308 0.000 1.201 66 H CA -0.229 56.033 56.048 0.356 0.000 1.102 66 H CB 0.934 30.869 29.762 0.288 0.000 1.656 66 H HN 0.066 nan 8.280 nan 0.000 0.662 67 E N 1.409 121.925 120.200 0.526 0.000 2.314 67 E HA 0.357 4.705 4.350 -0.004 0.000 0.272 67 E C -1.518 175.305 176.600 0.371 0.000 0.884 67 E CA -1.047 55.548 56.400 0.325 0.000 0.753 67 E CB 3.239 33.060 29.700 0.202 0.000 1.213 67 E HN 0.208 nan 8.360 nan 0.000 0.432 68 Y N -0.481 119.852 120.300 0.056 0.000 2.581 68 Y HA 0.657 5.205 4.550 -0.004 0.000 0.345 68 Y C -1.517 174.372 175.900 -0.019 0.000 1.036 68 Y CA -1.311 56.706 58.100 -0.138 0.000 1.042 68 Y CB 0.894 38.930 38.460 -0.707 0.000 1.289 68 Y HN 0.337 nan 8.280 nan 0.000 0.471 69 L N 2.796 124.150 121.223 0.219 0.000 2.334 69 L HA 0.531 4.869 4.340 -0.004 0.000 0.275 69 L C -1.325 175.757 176.870 0.354 0.000 1.036 69 L CA -1.024 53.921 54.840 0.175 0.000 0.807 69 L CB 1.662 43.734 42.059 0.020 0.000 1.231 69 L HN 0.788 nan 8.230 nan 0.000 0.438 70 Y N 1.763 122.173 120.300 0.182 0.000 2.479 70 Y HA 0.346 4.894 4.550 -0.004 0.000 0.338 70 Y C -1.106 174.828 175.900 0.058 0.000 1.055 70 Y CA -1.290 56.850 58.100 0.067 0.000 1.023 70 Y CB 1.620 40.103 38.460 0.038 0.000 1.287 70 Y HN 0.415 nan 8.280 nan 0.000 0.447 71 K N 5.057 125.027 120.400 -0.717 0.000 2.227 71 K HA 0.351 4.668 4.320 -0.004 0.000 0.280 71 K C -1.006 175.202 176.600 -0.653 0.000 1.041 71 K CA -0.695 55.298 56.287 -0.490 0.000 0.905 71 K CB 1.523 33.831 32.500 -0.321 0.000 1.068 71 K HN 0.643 nan 8.250 nan 0.000 0.470 72 Q N 2.627 122.276 119.800 -0.252 0.000 2.274 72 Q HA 0.088 4.426 4.340 -0.004 0.000 0.268 72 Q C -1.146 174.824 176.000 -0.051 0.000 1.015 72 Q CA -0.274 55.471 55.803 -0.096 0.000 0.775 72 Q CB 1.132 29.946 28.738 0.126 0.000 1.256 72 Q HN 0.676 nan 8.270 nan 0.000 0.442 73 E N 3.201 123.373 120.200 -0.047 0.000 2.476 73 E HA -0.374 3.973 4.350 -0.004 0.000 0.251 73 E C -0.349 176.223 176.600 -0.047 0.000 1.130 73 E CA 0.903 57.283 56.400 -0.033 0.000 0.736 73 E CB -1.555 28.138 29.700 -0.011 0.000 1.298 73 E HN 1.057 nan 8.360 nan 0.000 0.400 74 N N -1.779 116.879 118.700 -0.069 0.000 2.936 74 N HA -0.204 4.533 4.740 -0.004 0.000 0.236 74 N C -0.541 174.924 175.510 -0.074 0.000 0.930 74 N CA 0.944 53.953 53.050 -0.068 0.000 0.966 74 N CB -0.547 37.912 38.487 -0.047 0.000 1.090 74 N HN 0.315 nan 8.380 nan 0.000 0.592 75 N N 0.527 119.185 118.700 -0.072 0.000 2.466 75 N HA 0.549 5.286 4.740 -0.004 0.000 0.294 75 N C -0.605 174.863 175.510 -0.070 0.000 1.129 75 N CA -0.275 52.736 53.050 -0.065 0.000 0.931 75 N CB 1.423 39.884 38.487 -0.044 0.000 1.193 75 N HN 0.093 nan 8.380 nan 0.000 0.500 76 I N 2.261 122.797 120.570 -0.056 0.000 2.312 76 I HA 0.233 4.400 4.170 -0.004 0.000 0.290 76 I C -0.921 175.236 176.117 0.067 0.000 1.008 76 I CA -0.617 60.663 61.300 -0.034 0.000 1.226 76 I CB 0.497 38.446 38.000 -0.085 0.000 1.371 76 I HN 0.165 nan 8.210 nan 0.000 0.468 77 L N 7.230 128.509 121.223 0.094 0.000 2.334 77 L HA 0.518 4.855 4.340 -0.004 0.000 0.272 77 L C -0.199 176.730 176.870 0.099 0.000 1.020 77 L CA -0.654 54.236 54.840 0.084 0.000 0.812 77 L CB 1.744 43.843 42.059 0.068 0.000 1.264 77 L HN 0.252 nan 8.230 nan 0.000 0.439 78 V N 2.863 122.768 119.914 -0.016 0.000 2.384 78 V HA 0.541 4.659 4.120 -0.004 0.000 0.287 78 V C -0.908 175.051 176.094 -0.224 0.000 1.020 78 V CA -0.303 61.973 62.300 -0.040 0.000 0.850 78 V CB 0.953 32.810 31.823 0.058 0.000 0.987 78 V HN 0.497 nan 8.190 nan 0.000 0.436 79 F N 5.291 124.985 119.950 -0.427 0.000 2.425 79 F HA 0.490 5.015 4.527 -0.004 0.000 0.331 79 F C 0.643 176.177 175.800 -0.444 0.000 1.085 79 F CA -0.446 57.220 58.000 -0.557 0.000 1.028 79 F CB 1.556 39.868 39.000 -1.147 0.000 1.177 79 F HN 0.490 nan 8.300 nan 0.000 0.487 80 N N 2.109 120.767 118.700 -0.071 0.000 2.439 80 N HA 0.229 4.967 4.740 -0.004 0.000 0.249 80 N C 0.520 175.995 175.510 -0.059 0.000 1.003 80 N CA 0.090 53.129 53.050 -0.017 0.000 0.942 80 N CB 1.641 40.166 38.487 0.062 0.000 1.115 80 N HN 0.825 nan 8.380 nan 0.000 0.505 81 A N 3.904 126.658 122.820 -0.110 0.000 1.873 81 A HA -0.244 4.074 4.320 -0.004 0.000 0.218 81 A C 1.895 179.230 177.584 -0.415 0.000 1.193 81 A CA 1.856 53.741 52.037 -0.254 0.000 0.629 81 A CB -0.627 18.028 19.000 -0.576 0.000 0.826 81 A HN 0.783 nan 8.150 nan 0.000 0.447 82 E N -0.861 119.025 120.200 -0.523 0.000 2.070 82 E HA -0.210 4.137 4.350 -0.004 0.000 0.197 82 E C 1.392 177.642 176.600 -0.584 0.000 1.004 82 E CA 2.185 58.261 56.400 -0.540 0.000 0.805 82 E CB -0.414 28.866 29.700 -0.700 0.000 0.744 82 E HN 0.790 nan 8.360 nan 0.000 0.451 83 Y N -2.671 117.625 120.300 -0.007 0.000 2.430 83 Y HA 0.353 4.901 4.550 -0.004 0.000 0.248 83 Y C 1.602 177.507 175.900 0.008 0.000 1.108 83 Y CA -0.026 58.075 58.100 0.003 0.000 1.264 83 Y CB 1.099 39.559 38.460 0.001 0.000 1.172 83 Y HN 0.193 nan 8.280 nan 0.000 0.520 84 G N 1.179 110.050 108.800 0.119 0.000 2.179 84 G HA2 -0.329 3.629 3.960 -0.004 0.000 0.260 84 G HA3 -0.329 3.629 3.960 -0.004 0.000 0.260 84 G C 0.097 175.102 174.900 0.175 0.000 0.977 84 G CA 0.262 45.459 45.100 0.161 0.000 0.641 84 G HN 0.460 nan 8.290 nan 0.000 0.533 85 N N 0.625 119.383 118.700 0.097 0.000 2.424 85 N HA 0.585 5.323 4.740 -0.004 0.000 0.257 85 N C 0.120 175.517 175.510 -0.189 0.000 1.250 85 N CA 0.793 53.831 53.050 -0.020 0.000 0.946 85 N CB 1.531 40.015 38.487 -0.006 0.000 1.175 85 N HN 1.040 nan 8.380 nan 0.000 0.477 86 S N -0.905 114.602 115.700 -0.322 0.000 2.688 86 S HA 0.736 5.203 4.470 -0.004 0.000 0.275 86 S C -1.054 173.358 174.600 -0.312 0.000 1.175 86 S CA -0.826 57.066 58.200 -0.513 0.000 0.818 86 S CB 1.395 63.830 63.200 -1.274 0.000 1.157 86 S HN 0.678 nan 8.310 nan 0.000 0.482 87 S N -0.525 115.011 115.700 -0.272 0.000 2.671 87 S HA 0.647 5.114 4.470 -0.004 0.000 0.277 87 S C -1.253 173.284 174.600 -0.104 0.000 1.165 87 S CA -0.742 57.369 58.200 -0.147 0.000 0.822 87 S CB 1.504 64.653 63.200 -0.086 0.000 1.150 87 S HN 0.806 nan 8.310 nan 0.000 0.479 88 V N 2.534 122.409 119.914 -0.064 0.000 2.408 88 V HA 0.247 4.365 4.120 -0.004 0.000 0.267 88 V C 0.339 176.442 176.094 0.014 0.000 1.047 88 V CA 0.051 62.334 62.300 -0.029 0.000 0.937 88 V CB 0.258 32.048 31.823 -0.055 0.000 0.999 88 V HN 0.912 nan 8.190 nan 0.000 0.472 89 F N 5.317 125.219 119.950 -0.080 0.000 2.219 89 F HA 0.307 4.832 4.527 -0.004 0.000 0.294 89 F C 0.560 176.320 175.800 -0.068 0.000 1.086 89 F CA 0.943 58.908 58.000 -0.059 0.000 1.330 89 F CB 0.553 39.532 39.000 -0.036 0.000 1.047 89 F HN 0.359 nan 8.300 nan 0.000 0.495 90 L N 1.185 122.436 121.223 0.046 0.000 2.611 90 L HA 0.274 4.612 4.340 -0.004 0.000 0.263 90 L C -0.909 175.901 176.870 -0.100 0.000 0.969 90 L CA -0.666 54.128 54.840 -0.077 0.000 0.894 90 L CB 0.907 42.967 42.059 0.003 0.000 1.229 90 L HN -0.049 nan 8.230 nan 0.000 0.416 91 E N 1.934 122.048 120.200 -0.144 0.000 2.502 91 E HA -0.058 4.290 4.350 -0.004 0.000 0.261 91 E C 1.130 177.639 176.600 -0.150 0.000 0.974 91 E CA 0.764 57.083 56.400 -0.135 0.000 0.936 91 E CB 0.739 30.352 29.700 -0.145 0.000 0.926 91 E HN 0.612 nan 8.360 nan 0.000 0.459 92 N N 1.741 120.378 118.700 -0.105 0.000 2.348 92 N HA -0.230 4.507 4.740 -0.004 0.000 0.185 92 N C 0.947 176.398 175.510 -0.098 0.000 1.019 92 N CA 1.538 54.536 53.050 -0.086 0.000 0.880 92 N CB -0.231 38.219 38.487 -0.062 0.000 0.965 92 N HN 0.317 nan 8.380 nan 0.000 0.437 93 S N -2.719 112.905 115.700 -0.126 0.000 2.593 93 S HA 0.089 4.557 4.470 -0.004 0.000 0.217 93 S C 1.351 175.817 174.600 -0.224 0.000 0.966 93 S CA 0.054 58.177 58.200 -0.129 0.000 0.914 93 S CB -0.631 62.507 63.200 -0.104 0.000 0.776 93 S HN 0.248 nan 8.310 nan 0.000 0.523 94 T N 1.815 116.144 114.554 -0.376 0.000 2.720 94 T HA 0.013 4.361 4.350 -0.004 0.000 0.268 94 T C 0.087 174.227 174.700 -0.933 0.000 1.037 94 T CA 1.239 62.891 62.100 -0.746 0.000 1.144 94 T CB -0.419 67.756 68.868 -1.154 0.000 0.864 94 T HN 0.596 nan 8.240 nan 0.000 0.444 95 F N 1.014 120.865 119.950 -0.165 0.000 2.893 95 F HA 0.395 4.920 4.527 -0.003 0.000 0.340 95 F C 0.707 176.500 175.800 -0.012 0.000 1.300 95 F CA -1.184 56.755 58.000 -0.101 0.000 1.227 95 F CB 0.076 38.928 39.000 -0.248 0.000 1.044 95 F HN -0.061 nan 8.300 nan 0.000 0.512 96 D N 0.195 120.622 120.400 0.045 0.000 2.277 96 D HA -0.074 4.564 4.640 -0.004 0.000 0.208 96 D C 1.562 177.895 176.300 0.055 0.000 0.962 96 D CA 1.178 55.201 54.000 0.038 0.000 0.865 96 D CB 0.237 41.029 40.800 -0.014 0.000 0.939 96 D HN 0.184 nan 8.370 nan 0.000 0.510 97 E N -1.191 119.053 120.200 0.074 0.000 2.558 97 E HA 0.149 4.496 4.350 -0.004 0.000 0.205 97 E C 0.617 177.267 176.600 0.082 0.000 1.006 97 E CA -0.323 56.105 56.400 0.047 0.000 0.961 97 E CB -0.159 29.552 29.700 0.018 0.000 1.044 97 E HN 0.085 nan 8.360 nan 0.000 0.465 98 F N 0.567 120.525 119.950 0.013 0.000 2.269 98 F HA 0.013 4.538 4.527 -0.004 0.000 0.301 98 F C 1.769 177.494 175.800 -0.125 0.000 1.082 98 F CA 1.847 59.848 58.000 0.001 0.000 1.360 98 F CB 0.087 39.106 39.000 0.031 0.000 1.041 98 F HN 0.190 nan 8.300 nan 0.000 0.512 99 G N -0.812 107.865 108.800 -0.205 0.000 2.179 99 G HA2 -0.252 3.706 3.960 -0.004 0.000 0.260 99 G HA3 -0.252 3.706 3.960 -0.004 0.000 0.260 99 G C 0.059 174.560 174.900 -0.665 0.000 0.977 99 G CA 0.378 45.208 45.100 -0.450 0.000 0.641 99 G HN 0.564 nan 8.290 nan 0.000 0.533 100 H N -0.642 118.368 119.070 -0.100 0.000 2.996 100 H HA 0.565 5.119 4.556 -0.003 0.000 0.368 100 H C -0.582 174.838 175.328 0.152 0.000 1.185 100 H CA -0.056 55.992 56.048 -0.001 0.000 1.160 100 H CB 1.540 31.183 29.762 -0.199 0.000 1.820 100 H HN 0.189 nan 8.280 nan 0.000 0.547 101 S N 2.569 118.419 115.700 0.250 0.000 2.455 101 S HA 0.263 4.731 4.470 -0.004 0.000 0.278 101 S C 0.314 175.002 174.600 0.146 0.000 1.216 101 S CA -0.667 57.626 58.200 0.155 0.000 1.055 101 S CB -0.623 62.642 63.200 0.109 0.000 0.939 101 S HN 0.378 nan 8.310 nan 0.000 0.494 102 I N 5.643 126.248 120.570 0.058 0.000 2.452 102 I HA 0.093 4.261 4.170 -0.004 0.000 0.287 102 I C 1.513 177.629 176.117 -0.003 0.000 1.079 102 I CA -0.259 61.033 61.300 -0.013 0.000 1.387 102 I CB 0.635 38.522 38.000 -0.188 0.000 1.404 102 I HN 0.753 nan 8.210 nan 0.000 0.522 103 N N 4.031 122.730 118.700 -0.002 0.000 2.250 103 N HA -0.076 4.662 4.740 -0.004 0.000 0.181 103 N C 0.073 175.533 175.510 -0.084 0.000 1.017 103 N CA 1.135 54.139 53.050 -0.077 0.000 0.866 103 N CB 0.400 38.806 38.487 -0.134 0.000 0.985 103 N HN 0.679 nan 8.380 nan 0.000 0.429 104 D N -2.791 117.592 120.400 -0.029 0.000 2.692 104 D HA 0.191 4.828 4.640 -0.004 0.000 0.290 104 D C -1.724 174.639 176.300 0.105 0.000 1.281 104 D CA -0.514 53.488 54.000 0.005 0.000 0.804 104 D CB 0.836 41.594 40.800 -0.070 0.000 1.331 104 D HN 0.088 nan 8.370 nan 0.000 0.432 105 Y N -1.364 118.948 120.300 0.020 0.000 2.615 105 Y HA 0.760 5.308 4.550 -0.003 0.000 0.341 105 Y C -1.225 174.759 175.900 0.140 0.000 1.089 105 Y CA -0.991 57.146 58.100 0.062 0.000 1.049 105 Y CB 1.690 40.167 38.460 0.029 0.000 1.296 105 Y HN 0.159 nan 8.280 nan 0.000 0.470 106 S N 1.987 117.866 115.700 0.299 0.000 2.689 106 S HA 0.620 5.087 4.470 -0.004 0.000 0.274 106 S C -1.763 173.148 174.600 0.518 0.000 1.176 106 S CA -0.422 57.963 58.200 0.309 0.000 1.014 106 S CB 0.297 63.701 63.200 0.340 0.000 1.071 106 S HN 0.616 nan 8.310 nan 0.000 0.478 107 I N 4.345 125.110 120.570 0.325 0.000 2.472 107 I HA 0.329 4.497 4.170 -0.004 0.000 0.290 107 I C 0.972 176.916 176.117 -0.288 0.000 1.016 107 I CA 0.177 61.569 61.300 0.155 0.000 1.348 107 I CB 1.704 39.800 38.000 0.160 0.000 1.417 107 I HN 0.744 nan 8.210 nan 0.000 0.521 108 S N 5.794 121.009 115.700 -0.809 0.000 2.579 108 S HA 0.229 4.697 4.470 -0.004 0.000 0.275 108 S C -1.856 172.457 174.600 -0.478 0.000 1.345 108 S CA -0.806 56.561 58.200 -1.388 0.000 1.031 108 S CB 0.436 62.705 63.200 -1.552 0.000 0.892 108 S HN 0.450 nan 8.310 nan 0.000 0.529 109 P HA -0.146 nan 4.420 nan 0.000 0.216 109 P C 0.718 177.985 177.300 -0.054 0.000 1.150 109 P CA 1.601 64.637 63.100 -0.107 0.000 0.843 109 P CB -0.165 31.490 31.700 -0.074 0.000 0.787 110 D N -2.058 118.307 120.400 -0.059 0.000 2.336 110 D HA 0.085 4.723 4.640 -0.004 0.000 0.229 110 D C 1.346 177.657 176.300 0.017 0.000 1.061 110 D CA 0.490 54.495 54.000 0.007 0.000 0.875 110 D CB -1.232 39.601 40.800 0.055 0.000 0.904 110 D HN 0.191 nan 8.370 nan 0.000 0.525 111 G N 0.429 109.229 108.800 -0.001 0.000 2.166 111 G HA2 -0.423 3.535 3.960 -0.004 0.000 0.260 111 G HA3 -0.423 3.535 3.960 -0.004 0.000 0.260 111 G C 0.927 175.827 174.900 0.001 0.000 0.986 111 G CA 0.685 45.824 45.100 0.066 0.000 0.683 111 G HN 0.476 nan 8.290 nan 0.000 0.527 112 Q N -1.725 118.017 119.800 -0.097 0.000 2.354 112 Q HA 0.375 4.713 4.340 -0.004 0.000 0.203 112 Q C 0.289 175.865 176.000 -0.707 0.000 0.933 112 Q CA 0.636 56.211 55.803 -0.380 0.000 0.901 112 Q CB 0.321 28.816 28.738 -0.405 0.000 1.007 112 Q HN 0.597 nan 8.270 nan 0.000 0.495 113 F N -0.854 119.046 119.950 -0.084 0.000 2.643 113 F HA 0.503 5.028 4.527 -0.004 0.000 0.314 113 F C -0.708 175.180 175.800 0.147 0.000 1.096 113 F CA -1.209 56.816 58.000 0.041 0.000 0.953 113 F CB 1.695 40.762 39.000 0.111 0.000 1.345 113 F HN -0.229 nan 8.300 nan 0.000 0.468 114 I N 2.511 123.415 120.570 0.556 0.000 2.533 114 I HA 0.521 4.688 4.170 -0.004 0.000 0.290 114 I C -1.852 174.612 176.117 0.579 0.000 1.056 114 I CA -1.034 60.591 61.300 0.541 0.000 1.057 114 I CB 1.565 39.844 38.000 0.464 0.000 1.240 114 I HN 0.545 nan 8.210 nan 0.000 0.423 115 L N 8.265 129.863 121.223 0.625 0.000 2.265 115 L HA 0.486 4.824 4.340 -0.004 0.000 0.288 115 L C -1.219 175.824 176.870 0.289 0.000 1.058 115 L CA 0.000 55.094 54.840 0.423 0.000 0.809 115 L CB 0.943 43.193 42.059 0.320 0.000 1.179 115 L HN 0.505 nan 8.230 nan 0.000 0.429 116 L N 5.233 126.559 121.223 0.171 0.000 2.287 116 L HA 0.488 4.826 4.340 -0.004 0.000 0.287 116 L C -0.073 176.850 176.870 0.088 0.000 1.022 116 L CA -0.411 54.429 54.840 0.001 0.000 0.814 116 L CB 1.477 43.307 42.059 -0.381 0.000 1.217 116 L HN 0.615 nan 8.230 nan 0.000 0.420 117 E N 4.147 124.356 120.200 0.015 0.000 2.134 117 E HA 0.418 4.766 4.350 -0.004 0.000 0.278 117 E C -1.604 174.966 176.600 -0.051 0.000 0.959 117 E CA -0.519 55.747 56.400 -0.224 0.000 0.783 117 E CB 1.054 30.669 29.700 -0.141 0.000 1.095 117 E HN 0.450 nan 8.360 nan 0.000 0.399 118 Y N 1.703 121.830 120.300 -0.288 0.000 2.715 118 Y HA 0.465 5.013 4.550 -0.003 0.000 0.331 118 Y C -0.048 175.760 175.900 -0.153 0.000 1.197 118 Y CA -1.682 56.337 58.100 -0.136 0.000 1.079 118 Y CB 0.500 38.951 38.460 -0.014 0.000 1.298 118 Y HN 0.492 nan 8.280 nan 0.000 0.477 119 N N -0.404 118.298 118.700 0.003 0.000 2.735 119 N HA -0.293 4.445 4.740 -0.004 0.000 0.248 119 N C -1.034 174.435 175.510 -0.068 0.000 1.083 119 N CA 0.939 53.935 53.050 -0.090 0.000 0.703 119 N CB -1.596 36.720 38.487 -0.286 0.000 1.005 119 N HN 0.867 nan 8.380 nan 0.000 0.550 120 Y N 0.306 120.531 120.300 -0.125 0.000 2.650 120 Y HA 0.265 4.813 4.550 -0.004 0.000 0.331 120 Y C 0.003 175.865 175.900 -0.063 0.000 1.165 120 Y CA 0.012 58.040 58.100 -0.120 0.000 1.473 120 Y CB 0.647 38.995 38.460 -0.186 0.000 1.224 120 Y HN -0.006 nan 8.280 nan 0.000 0.533 121 V N 8.100 127.648 119.914 -0.610 0.000 2.380 121 V HA 0.200 4.318 4.120 -0.004 0.000 0.286 121 V C -0.190 175.510 176.094 -0.657 0.000 1.015 121 V CA -1.419 60.577 62.300 -0.508 0.000 0.834 121 V CB 1.120 32.803 31.823 -0.234 0.000 1.009 121 V HN 0.752 nan 8.190 nan 0.000 0.428 122 K N 3.652 123.628 120.400 -0.707 0.000 2.436 122 K HA 0.188 4.506 4.320 -0.004 0.000 0.275 122 K C 0.386 176.824 176.600 -0.270 0.000 0.999 122 K CA 0.278 56.331 56.287 -0.390 0.000 0.980 122 K CB 1.188 33.637 32.500 -0.084 0.000 0.919 122 K HN 0.831 nan 8.250 nan 0.000 0.484 123 Q N 2.967 122.602 119.800 -0.276 0.000 2.653 123 Q HA 0.180 4.517 4.340 -0.004 0.000 0.212 123 Q C -0.007 175.769 176.000 -0.373 0.000 0.951 123 Q CA -0.429 55.023 55.803 -0.585 0.000 0.535 123 Q CB 0.141 28.350 28.738 -0.881 0.000 3.737 123 Q HN 0.739 nan 8.270 nan 0.000 0.401 124 W N 0.226 121.517 121.300 -0.014 0.000 1.756 124 W HA 0.401 5.059 4.660 -0.003 0.000 0.638 124 W C 1.889 178.388 176.519 -0.033 0.000 1.472 124 W CA -0.687 56.675 57.345 0.028 0.000 1.437 124 W CB -0.191 29.250 29.460 -0.032 0.000 3.368 124 W HN 0.263 nan 8.180 nan 0.000 0.771 125 R N -0.619 119.959 120.500 0.129 0.000 2.092 125 R HA -0.132 4.206 4.340 -0.004 0.000 0.231 125 R C 1.738 177.855 176.300 -0.305 0.000 1.119 125 R CA 1.696 57.693 56.100 -0.172 0.000 0.970 125 R CB -0.331 29.707 30.300 -0.436 0.000 0.864 125 R HN 0.486 nan 8.270 nan 0.000 0.440 126 H N -1.380 117.762 119.070 0.120 0.000 2.800 126 H HA 0.161 4.715 4.556 -0.004 0.000 0.257 126 H C 0.655 176.066 175.328 0.137 0.000 0.967 126 H CA 0.473 56.609 56.048 0.147 0.000 1.192 126 H CB 0.210 30.030 29.762 0.098 0.000 1.441 126 H HN 0.133 nan 8.280 nan 0.000 0.461 127 S N 1.299 116.982 115.700 -0.029 0.000 2.585 127 S HA 0.385 4.853 4.470 -0.004 0.000 0.273 127 S C -0.288 174.180 174.600 -0.221 0.000 1.339 127 S CA -0.440 57.445 58.200 -0.525 0.000 1.028 127 S CB 0.798 63.148 63.200 -1.417 0.000 0.906 127 S HN 0.453 nan 8.310 nan 0.000 0.528 128 Y N -2.420 117.720 120.300 -0.267 0.000 2.774 128 Y HA 0.640 5.187 4.550 -0.004 0.000 0.346 128 Y C -0.860 175.009 175.900 -0.053 0.000 1.222 128 Y CA -0.861 57.101 58.100 -0.230 0.000 1.088 128 Y CB 0.447 38.772 38.460 -0.226 0.000 1.354 128 Y HN 0.917 nan 8.280 nan 0.000 0.455 129 T N -0.091 114.524 114.554 0.102 0.000 2.924 129 T HA 1.032 5.380 4.350 -0.004 0.000 0.291 129 T C -0.503 174.293 174.700 0.160 0.000 1.045 129 T CA -0.169 62.008 62.100 0.128 0.000 1.015 129 T CB 1.822 70.712 68.868 0.036 0.000 1.103 129 T HN 1.970 nan 8.240 nan 0.000 0.496 130 A N 0.784 123.683 122.820 0.132 0.000 2.540 130 A HA 0.769 5.087 4.320 -0.004 0.000 0.291 130 A C -0.678 176.732 177.584 -0.291 0.000 1.083 130 A CA -0.979 50.993 52.037 -0.107 0.000 0.650 130 A CB 0.934 19.851 19.000 -0.138 0.000 1.292 130 A HN 0.871 nan 8.150 nan 0.000 0.435 131 S N -0.724 114.552 115.700 -0.705 0.000 2.593 131 S HA 0.822 5.290 4.470 -0.004 0.000 0.297 131 S C -1.537 172.429 174.600 -1.056 0.000 1.112 131 S CA -0.074 57.627 58.200 -0.831 0.000 1.043 131 S CB 0.700 63.108 63.200 -1.320 0.000 1.054 131 S HN 0.455 nan 8.310 nan 0.000 0.516 132 Y N 0.107 120.196 120.300 -0.352 0.000 2.492 132 Y HA 0.489 5.037 4.550 -0.004 0.000 0.346 132 Y C -0.283 175.682 175.900 0.108 0.000 0.997 132 Y CA -0.937 57.114 58.100 -0.082 0.000 1.025 132 Y CB 1.734 40.092 38.460 -0.171 0.000 1.263 132 Y HN 0.497 nan 8.280 nan 0.000 0.454 133 D N 2.214 122.842 120.400 0.380 0.000 2.575 133 D HA 0.567 5.205 4.640 -0.004 0.000 0.236 133 D C -0.981 175.459 176.300 0.234 0.000 1.075 133 D CA -0.340 53.851 54.000 0.318 0.000 0.860 133 D CB 2.771 43.841 40.800 0.451 0.000 1.475 133 D HN 0.411 nan 8.370 nan 0.000 0.474 134 I N 1.741 122.444 120.570 0.221 0.000 2.404 134 I HA 0.250 4.418 4.170 -0.004 0.000 0.293 134 I C -0.967 175.373 176.117 0.371 0.000 0.992 134 I CA -0.955 60.512 61.300 0.278 0.000 1.149 134 I CB 1.583 39.691 38.000 0.179 0.000 1.315 134 I HN 0.229 nan 8.210 nan 0.000 0.446 135 Y N 5.401 125.886 120.300 0.307 0.000 2.335 135 Y HA 0.289 4.837 4.550 -0.004 0.000 0.338 135 Y C -0.204 175.895 175.900 0.332 0.000 0.977 135 Y CA -0.753 57.528 58.100 0.301 0.000 1.114 135 Y CB 1.149 39.798 38.460 0.315 0.000 1.182 135 Y HN 0.478 nan 8.280 nan 0.000 0.463 136 D N 6.657 126.925 120.400 -0.220 0.000 2.352 136 D HA 0.083 4.721 4.640 -0.004 0.000 0.245 136 D C 0.833 176.794 176.300 -0.565 0.000 1.224 136 D CA 0.363 54.197 54.000 -0.277 0.000 0.879 136 D CB 0.854 41.553 40.800 -0.169 0.000 1.057 136 D HN 0.868 nan 8.370 nan 0.000 0.491 137 L N 3.814 124.819 121.223 -0.364 0.000 1.976 137 L HA -0.215 4.123 4.340 -0.004 0.000 0.209 137 L C 2.199 178.908 176.870 -0.267 0.000 1.071 137 L CA 0.784 55.494 54.840 -0.217 0.000 0.746 137 L CB -0.475 41.489 42.059 -0.158 0.000 0.890 137 L HN 0.403 nan 8.230 nan 0.000 0.432 138 N N 0.857 119.371 118.700 -0.310 0.000 2.007 138 N HA -0.223 4.515 4.740 -0.004 0.000 0.197 138 N C 1.691 177.078 175.510 -0.205 0.000 1.050 138 N CA 1.655 54.562 53.050 -0.238 0.000 0.856 138 N CB -0.398 37.944 38.487 -0.242 0.000 1.050 138 N HN 0.353 nan 8.380 nan 0.000 0.423 139 K N 0.834 121.098 120.400 -0.227 0.000 2.504 139 K HA 0.113 4.430 4.320 -0.004 0.000 0.195 139 K C -0.040 176.441 176.600 -0.200 0.000 1.036 139 K CA -0.000 56.180 56.287 -0.178 0.000 0.984 139 K CB 0.097 32.507 32.500 -0.150 0.000 0.788 139 K HN 0.183 nan 8.250 nan 0.000 0.488 140 R N 1.135 121.464 120.500 -0.285 0.000 3.405 140 R HA -0.219 4.119 4.340 -0.004 0.000 0.258 140 R C -0.889 175.232 176.300 -0.299 0.000 1.030 140 R CA 0.748 56.688 56.100 -0.267 0.000 0.691 140 R CB -2.081 28.182 30.300 -0.062 0.000 1.093 140 R HN 0.444 nan 8.270 nan 0.000 0.448 141 Q N -0.005 119.482 119.800 -0.521 0.000 2.397 141 Q HA 0.516 4.854 4.340 -0.004 0.000 0.275 141 Q C -0.905 174.935 176.000 -0.266 0.000 1.090 141 Q CA -1.174 54.483 55.803 -0.244 0.000 0.809 141 Q CB 2.254 30.929 28.738 -0.105 0.000 1.362 141 Q HN 0.118 nan 8.270 nan 0.000 0.431 142 L N 2.067 123.367 121.223 0.129 0.000 2.326 142 L HA 0.413 4.751 4.340 -0.004 0.000 0.278 142 L C -0.993 175.978 176.870 0.169 0.000 1.092 142 L CA 0.002 55.024 54.840 0.303 0.000 0.810 142 L CB 0.723 43.056 42.059 0.456 0.000 1.153 142 L HN 0.551 nan 8.230 nan 0.000 0.439 143 I N 4.031 124.703 120.570 0.169 0.000 2.416 143 I HA 0.161 4.329 4.170 -0.004 0.000 0.288 143 I C 0.839 177.014 176.117 0.098 0.000 1.051 143 I CA 0.087 61.453 61.300 0.110 0.000 1.375 143 I CB 1.086 39.144 38.000 0.097 0.000 1.407 143 I HN 0.797 nan 8.210 nan 0.000 0.516 144 T N 0.546 115.138 114.554 0.064 0.000 3.040 144 T HA 0.284 4.631 4.350 -0.004 0.000 0.266 144 T C 0.294 175.002 174.700 0.013 0.000 1.005 144 T CA -0.430 61.697 62.100 0.046 0.000 0.906 144 T CB -0.148 68.746 68.868 0.044 0.000 1.082 144 T HN 0.544 nan 8.240 nan 0.000 0.531 145 E N 1.970 122.172 120.200 0.004 0.000 2.191 145 E HA 0.422 4.769 4.350 -0.004 0.000 0.274 145 E C -0.449 176.127 176.600 -0.040 0.000 0.948 145 E CA -0.988 55.401 56.400 -0.017 0.000 0.802 145 E CB 0.734 30.427 29.700 -0.011 0.000 1.137 145 E HN 0.048 nan 8.360 nan 0.000 0.397 146 E N 1.429 121.591 120.200 -0.063 0.000 2.228 146 E HA -0.244 4.104 4.350 -0.004 0.000 0.213 146 E C -0.711 175.817 176.600 -0.120 0.000 1.282 146 E CA 0.714 57.057 56.400 -0.094 0.000 0.707 146 E CB -1.294 28.357 29.700 -0.081 0.000 1.150 146 E HN 0.498 nan 8.360 nan 0.000 0.362 147 R N -0.220 120.207 120.500 -0.122 0.000 2.694 147 R HA 0.328 4.666 4.340 -0.004 0.000 0.268 147 R C 1.179 177.321 176.300 -0.265 0.000 1.061 147 R CA -0.396 55.620 56.100 -0.139 0.000 1.133 147 R CB 0.502 30.753 30.300 -0.082 0.000 1.020 147 R HN 0.144 nan 8.270 nan 0.000 0.475 148 I N 3.693 124.070 120.570 -0.322 0.000 2.648 148 I HA 0.019 4.187 4.170 -0.004 0.000 0.284 148 I C -1.723 174.102 176.117 -0.487 0.000 1.153 148 I CA -1.542 59.407 61.300 -0.585 0.000 1.426 148 I CB 0.450 38.104 38.000 -0.575 0.000 1.381 148 I HN 0.313 nan 8.210 nan 0.000 0.571 149 P HA 0.028 nan 4.420 nan 0.000 0.269 149 P C -0.832 176.275 177.300 -0.321 0.000 1.217 149 P CA -0.203 62.522 63.100 -0.625 0.000 0.783 149 P CB 0.369 31.278 31.700 -1.318 0.000 0.898 150 N N 2.207 120.796 118.700 -0.185 0.000 2.483 150 N HA 0.088 4.825 4.740 -0.004 0.000 0.269 150 N C 0.322 175.901 175.510 0.114 0.000 1.209 150 N CA 0.055 53.066 53.050 -0.065 0.000 0.969 150 N CB -0.162 38.292 38.487 -0.054 0.000 1.173 150 N HN 0.407 nan 8.380 nan 0.000 0.475 151 N N -0.793 117.963 118.700 0.094 0.000 2.818 151 N HA -0.146 4.591 4.740 -0.004 0.000 0.250 151 N C -0.869 174.809 175.510 0.279 0.000 1.108 151 N CA 0.668 53.813 53.050 0.158 0.000 0.745 151 N CB -1.591 36.999 38.487 0.172 0.000 1.104 151 N HN 0.477 nan 8.380 nan 0.000 0.557 152 T N 0.825 115.543 114.554 0.272 0.000 2.901 152 T HA 0.130 4.478 4.350 -0.004 0.000 0.301 152 T C 1.713 176.556 174.700 0.239 0.000 1.012 152 T CA 0.078 62.353 62.100 0.291 0.000 1.135 152 T CB 1.265 70.191 68.868 0.098 0.000 0.936 152 T HN 0.153 nan 8.240 nan 0.000 0.539 153 Q N 1.744 121.675 119.800 0.218 0.000 2.212 153 Q HA 0.148 4.486 4.340 -0.004 0.000 0.199 153 Q C 0.142 176.304 176.000 0.271 0.000 0.950 153 Q CA 0.490 56.439 55.803 0.243 0.000 0.863 153 Q CB 0.705 29.546 28.738 0.172 0.000 0.944 153 Q HN 0.695 nan 8.270 nan 0.000 0.465 154 W N -0.445 120.805 121.300 -0.084 0.000 3.571 154 W HA 0.487 5.145 4.660 -0.003 0.000 0.294 154 W C -2.334 174.081 176.519 -0.173 0.000 1.257 154 W CA -0.717 56.532 57.345 -0.160 0.000 1.206 154 W CB 1.170 30.475 29.460 -0.259 0.000 1.325 154 W HN -0.283 nan 8.180 nan 0.000 0.546 155 V N 4.396 123.573 119.914 -1.228 0.000 2.932 155 V HA 0.819 4.937 4.120 -0.004 0.000 0.307 155 V C -1.536 173.972 176.094 -0.977 0.000 1.147 155 V CA -0.082 61.678 62.300 -0.899 0.000 0.951 155 V CB 2.310 33.545 31.823 -0.979 0.000 1.031 155 V HN 0.621 nan 8.190 nan 0.000 0.426 156 T N 5.220 119.507 114.554 -0.446 0.000 2.982 156 T HA 0.506 4.854 4.350 -0.004 0.000 0.321 156 T C -1.389 173.340 174.700 0.049 0.000 1.229 156 T CA -0.314 61.695 62.100 -0.151 0.000 1.044 156 T CB 0.911 69.907 68.868 0.213 0.000 1.184 156 T HN 0.712 nan 8.240 nan 0.000 0.477 157 W N 3.007 124.357 121.300 0.083 0.000 2.161 157 W HA 0.459 5.116 4.660 -0.004 0.000 0.344 157 W C 1.232 177.640 176.519 -0.186 0.000 1.262 157 W CA -0.559 56.790 57.345 0.006 0.000 1.270 157 W CB 0.654 30.114 29.460 -0.000 0.000 1.126 157 W HN 0.791 nan 8.180 nan 0.000 0.598 158 S N 1.900 117.405 115.700 -0.324 0.000 2.600 158 S HA 0.125 4.593 4.470 -0.004 0.000 0.265 158 S C -1.481 172.862 174.600 -0.429 0.000 1.325 158 S CA -1.007 56.455 58.200 -1.229 0.000 1.002 158 S CB 0.858 63.239 63.200 -1.365 0.000 0.921 158 S HN 0.395 nan 8.310 nan 0.000 0.554 159 P HA 0.053 nan 4.420 nan 0.000 0.223 159 P C -0.042 177.204 177.300 -0.090 0.000 1.151 159 P CA 0.661 63.710 63.100 -0.086 0.000 0.787 159 P CB -0.013 31.680 31.700 -0.012 0.000 0.788 160 V N -1.372 118.441 119.914 -0.168 0.000 2.914 160 V HA 0.642 4.759 4.120 -0.004 0.000 0.314 160 V C 0.872 176.859 176.094 -0.178 0.000 1.084 160 V CA 0.052 62.275 62.300 -0.129 0.000 0.963 160 V CB 0.981 32.739 31.823 -0.108 0.000 1.025 160 V HN 0.440 nan 8.190 nan 0.000 0.432 161 G N 2.480 111.197 108.800 -0.139 0.000 2.527 161 G HA2 -0.223 3.734 3.960 -0.004 0.000 0.268 161 G HA3 -0.223 3.734 3.960 -0.004 0.000 0.268 161 G C 0.177 174.988 174.900 -0.149 0.000 1.175 161 G CA 0.626 45.611 45.100 -0.191 0.000 0.962 161 G HN 1.812 nan 8.290 nan 0.000 0.560 162 H N -0.343 118.733 119.070 0.010 0.000 2.885 162 H HA 0.420 4.974 4.556 -0.003 0.000 0.237 162 H C 0.352 175.856 175.328 0.294 0.000 1.229 162 H CA -0.100 56.017 56.048 0.116 0.000 0.947 162 H CB -0.140 29.709 29.762 0.145 0.000 2.223 162 H HN 0.518 nan 8.280 nan 0.000 0.628 163 K N 1.559 122.006 120.400 0.078 0.000 2.219 163 K HA 0.497 4.814 4.320 -0.004 0.000 0.258 163 K C -0.401 176.326 176.600 0.211 0.000 1.008 163 K CA -0.318 56.024 56.287 0.092 0.000 0.928 163 K CB 1.510 33.923 32.500 -0.144 0.000 0.983 163 K HN 0.119 nan 8.250 nan 0.000 0.484 164 L N 0.665 122.033 121.223 0.241 0.000 2.409 164 L HA 0.586 4.924 4.340 -0.004 0.000 0.262 164 L C -1.089 175.991 176.870 0.350 0.000 0.992 164 L CA -0.886 54.055 54.840 0.169 0.000 0.817 164 L CB 2.228 44.211 42.059 -0.127 0.000 1.350 164 L HN 0.704 nan 8.230 nan 0.000 0.411 165 A N 2.202 125.208 122.820 0.309 0.000 2.374 165 A HA 0.845 5.163 4.320 -0.004 0.000 0.305 165 A C -1.640 175.973 177.584 0.047 0.000 1.053 165 A CA -0.384 51.712 52.037 0.098 0.000 0.726 165 A CB 1.224 20.162 19.000 -0.103 0.000 1.229 165 A HN 0.657 nan 8.150 nan 0.000 0.431 166 Y N -0.606 119.643 120.300 -0.084 0.000 2.588 166 Y HA 0.763 5.311 4.550 -0.003 0.000 0.343 166 Y C -1.229 174.673 175.900 0.003 0.000 1.065 166 Y CA -1.555 56.477 58.100 -0.113 0.000 1.038 166 Y CB 1.190 39.523 38.460 -0.212 0.000 1.297 166 Y HN 0.387 nan 8.280 nan 0.000 0.467 167 V N 2.243 122.278 119.914 0.202 0.000 2.417 167 V HA 0.362 4.480 4.120 -0.004 0.000 0.291 167 V C -1.423 174.870 176.094 0.331 0.000 1.024 167 V CA -0.583 61.807 62.300 0.149 0.000 0.861 167 V CB 1.252 33.076 31.823 0.003 0.000 0.985 167 V HN 0.871 nan 8.190 nan 0.000 0.436 168 W N 5.090 126.483 121.300 0.155 0.000 3.042 168 W HA 0.465 5.123 4.660 -0.004 0.000 0.337 168 W C 0.273 176.842 176.519 0.084 0.000 1.086 168 W CA -0.767 56.643 57.345 0.108 0.000 1.236 168 W CB 1.227 30.729 29.460 0.070 0.000 1.381 168 W HN 0.783 nan 8.180 nan 0.000 0.472 169 N N 5.061 123.309 118.700 -0.753 0.000 2.721 169 N HA -0.334 4.403 4.740 -0.004 0.000 0.249 169 N C -0.013 175.291 175.510 -0.343 0.000 1.072 169 N CA 0.982 53.602 53.050 -0.718 0.000 0.710 169 N CB -0.915 36.860 38.487 -1.187 0.000 0.993 169 N HN 0.717 nan 8.380 nan 0.000 0.547 170 N N -1.581 116.991 118.700 -0.213 0.000 2.828 170 N HA -0.155 4.583 4.740 -0.004 0.000 0.248 170 N C -1.418 173.998 175.510 -0.158 0.000 1.044 170 N CA 1.682 54.635 53.050 -0.161 0.000 0.851 170 N CB -0.502 37.853 38.487 -0.220 0.000 1.136 170 N HN 0.535 nan 8.380 nan 0.000 0.572 171 D N -0.224 120.090 120.400 -0.144 0.000 2.433 171 D HA 0.499 5.136 4.640 -0.004 0.000 0.236 171 D C 0.456 176.566 176.300 -0.317 0.000 1.026 171 D CA -0.450 53.383 54.000 -0.278 0.000 0.884 171 D CB 1.351 41.925 40.800 -0.376 0.000 1.384 171 D HN -0.007 nan 8.370 nan 0.000 0.477 172 I N 1.523 121.744 120.570 -0.581 0.000 2.440 172 I HA 0.248 4.416 4.170 -0.004 0.000 0.294 172 I C -0.673 174.936 176.117 -0.846 0.000 0.995 172 I CA -0.424 60.516 61.300 -0.600 0.000 1.306 172 I CB 0.578 38.143 38.000 -0.724 0.000 1.407 172 I HN 0.162 nan 8.210 nan 0.000 0.501 173 Y N 3.881 123.776 120.300 -0.675 0.000 2.512 173 Y HA 0.640 5.188 4.550 -0.003 0.000 0.348 173 Y C -0.400 175.145 175.900 -0.591 0.000 0.990 173 Y CA -0.921 56.735 58.100 -0.741 0.000 1.033 173 Y CB 2.099 39.828 38.460 -1.218 0.000 1.259 173 Y HN 0.106 nan 8.280 nan 0.000 0.461 174 V N 2.688 122.530 119.914 -0.122 0.000 2.588 174 V HA 0.472 4.590 4.120 -0.004 0.000 0.304 174 V C -0.931 175.294 176.094 0.217 0.000 1.042 174 V CA -1.389 60.948 62.300 0.061 0.000 0.877 174 V CB 2.038 33.917 31.823 0.093 0.000 0.996 174 V HN 0.620 nan 8.190 nan 0.000 0.425 175 K N 4.248 124.789 120.400 0.234 0.000 2.323 175 K HA 0.531 4.848 4.320 -0.004 0.000 0.259 175 K C 0.323 177.065 176.600 0.238 0.000 0.947 175 K CA -0.747 55.668 56.287 0.214 0.000 0.819 175 K CB 1.988 34.569 32.500 0.134 0.000 1.109 175 K HN 0.415 nan 8.250 nan 0.000 0.429 176 I N 1.135 121.868 120.570 0.273 0.000 2.406 176 I HA -0.037 4.131 4.170 -0.004 0.000 0.249 176 I C 0.339 176.579 176.117 0.206 0.000 1.122 176 I CA 1.366 62.800 61.300 0.222 0.000 1.431 176 I CB -0.172 37.967 38.000 0.232 0.000 1.087 176 I HN 0.575 nan 8.210 nan 0.000 0.424 177 E N 0.024 120.328 120.200 0.174 0.000 2.248 177 E HA 0.279 4.627 4.350 -0.004 0.000 0.267 177 E C -1.860 174.739 176.600 -0.002 0.000 0.877 177 E CA -2.056 54.420 56.400 0.128 0.000 0.759 177 E CB 1.804 31.570 29.700 0.111 0.000 1.182 177 E HN -0.150 nan 8.360 nan 0.000 0.418 178 P HA -0.196 nan 4.420 nan 0.000 0.217 178 P C 0.818 178.041 177.300 -0.129 0.000 1.151 178 P CA 1.462 64.414 63.100 -0.246 0.000 0.849 178 P CB 0.300 31.604 31.700 -0.660 0.000 0.787 179 N N -1.371 117.278 118.700 -0.085 0.000 2.280 179 N HA 0.017 4.755 4.740 -0.004 0.000 0.192 179 N C 0.170 175.664 175.510 -0.027 0.000 1.109 179 N CA 0.173 53.201 53.050 -0.036 0.000 0.855 179 N CB -0.169 38.317 38.487 -0.001 0.000 0.974 179 N HN 0.174 nan 8.380 nan 0.000 0.482 180 L N 0.540 121.749 121.223 -0.023 0.000 2.400 180 L HA 0.519 4.857 4.340 -0.004 0.000 0.264 180 L C -2.211 174.619 176.870 -0.066 0.000 1.061 180 L CA -2.188 52.637 54.840 -0.026 0.000 0.799 180 L CB 0.927 42.993 42.059 0.011 0.000 1.240 180 L HN -0.206 nan 8.230 nan 0.000 0.461 181 P HA 0.053 nan 4.420 nan 0.000 0.269 181 P C -0.891 176.257 177.300 -0.252 0.000 1.209 181 P CA 0.017 63.015 63.100 -0.169 0.000 0.776 181 P CB 0.629 32.215 31.700 -0.189 0.000 0.876 182 S N 1.174 116.773 115.700 -0.168 0.000 2.601 182 S HA 0.316 4.784 4.470 -0.004 0.000 0.271 182 S C -0.560 173.904 174.600 -0.226 0.000 1.305 182 S CA -0.059 58.083 58.200 -0.097 0.000 1.022 182 S CB -0.022 63.221 63.200 0.071 0.000 0.940 182 S HN 0.246 nan 8.310 nan 0.000 0.525 183 Y N 1.022 121.350 120.300 0.046 0.000 2.331 183 Y HA 0.411 4.959 4.550 -0.004 0.000 0.338 183 Y C 0.604 176.430 175.900 -0.122 0.000 0.976 183 Y CA -0.697 57.407 58.100 0.006 0.000 1.137 183 Y CB 0.814 39.275 38.460 0.002 0.000 1.172 183 Y HN 0.514 nan 8.280 nan 0.000 0.478 184 R N 3.377 123.812 120.500 -0.108 0.000 2.389 184 R HA 0.245 4.582 4.340 -0.004 0.000 0.295 184 R C 0.130 176.037 176.300 -0.654 0.000 1.075 184 R CA -0.023 55.649 56.100 -0.713 0.000 1.005 184 R CB 0.376 30.086 30.300 -0.984 0.000 0.987 184 R HN 0.770 nan 8.270 nan 0.000 0.452 185 I N 2.050 122.157 120.570 -0.771 0.000 3.339 185 I HA 0.016 4.184 4.170 -0.004 0.000 0.285 185 I C 0.851 176.706 176.117 -0.436 0.000 1.201 185 I CA 0.758 61.776 61.300 -0.471 0.000 1.434 185 I CB -0.351 37.349 38.000 -0.499 0.000 1.152 185 I HN 0.678 nan 8.210 nan 0.000 0.443 186 T N -3.892 110.247 114.554 -0.692 0.000 2.906 186 T HA 0.389 4.737 4.350 -0.004 0.000 0.295 186 T C -0.196 174.200 174.700 -0.506 0.000 1.061 186 T CA -0.524 61.334 62.100 -0.405 0.000 1.000 186 T CB 2.242 70.870 68.868 -0.401 0.000 1.103 186 T HN 0.208 nan 8.240 nan 0.000 0.486 187 W N 0.890 122.078 121.300 -0.186 0.000 2.534 187 W HA 0.118 4.775 4.660 -0.004 0.000 0.339 187 W C 1.480 177.942 176.519 -0.096 0.000 0.961 187 W CA 0.069 57.340 57.345 -0.124 0.000 1.545 187 W CB 0.634 30.042 29.460 -0.086 0.000 1.104 187 W HN 0.960 nan 8.180 nan 0.000 0.538 188 T N -2.413 112.176 114.554 0.059 0.000 3.081 188 T HA 0.168 4.515 4.350 -0.004 0.000 0.250 188 T C 1.252 175.937 174.700 -0.025 0.000 1.100 188 T CA 0.240 62.357 62.100 0.029 0.000 1.038 188 T CB 0.094 68.978 68.868 0.028 0.000 0.962 188 T HN -0.047 nan 8.240 nan 0.000 0.516 189 G N 1.249 110.000 108.800 -0.081 0.000 2.321 189 G HA2 0.331 4.289 3.960 -0.004 0.000 0.237 189 G HA3 0.331 4.289 3.960 -0.004 0.000 0.237 189 G C -0.587 174.239 174.900 -0.123 0.000 1.282 189 G CA -0.364 44.663 45.100 -0.122 0.000 0.886 189 G HN 0.575 nan 8.290 nan 0.000 0.528 190 K N 1.763 122.067 120.400 -0.160 0.000 2.616 190 K HA 0.138 4.456 4.320 -0.004 0.000 0.255 190 K C -0.202 176.268 176.600 -0.216 0.000 0.995 190 K CA -0.644 55.555 56.287 -0.147 0.000 0.860 190 K CB 1.437 33.888 32.500 -0.082 0.000 1.264 190 K HN 0.677 nan 8.250 nan 0.000 0.451 191 E N 3.453 123.534 120.200 -0.199 0.000 2.765 191 E HA -0.180 4.168 4.350 -0.004 0.000 0.256 191 E C -0.550 175.949 176.600 -0.169 0.000 0.935 191 E CA 1.155 57.436 56.400 -0.198 0.000 0.954 191 E CB 0.234 29.858 29.700 -0.128 0.000 0.908 191 E HN 0.653 nan 8.360 nan 0.000 0.500 192 D N 2.490 122.767 120.400 -0.205 0.000 3.059 192 D HA -0.237 4.400 4.640 -0.004 0.000 0.213 192 D C 0.540 176.859 176.300 0.033 0.000 1.144 192 D CA 1.366 55.365 54.000 -0.002 0.000 0.975 192 D CB -0.462 40.384 40.800 0.077 0.000 1.125 192 D HN 0.424 nan 8.370 nan 0.000 0.412 193 I N -1.063 119.434 120.570 -0.122 0.000 3.623 193 I HA 0.108 4.276 4.170 -0.004 0.000 0.253 193 I C 0.749 176.904 176.117 0.064 0.000 1.144 193 I CA 0.436 61.752 61.300 0.027 0.000 1.461 193 I CB 0.137 38.141 38.000 0.007 0.000 1.575 193 I HN -0.134 nan 8.210 nan 0.000 0.445 194 I N 1.745 122.267 120.570 -0.081 0.000 2.389 194 I HA 0.273 4.441 4.170 -0.004 0.000 0.288 194 I C -1.258 174.810 176.117 -0.082 0.000 0.999 194 I CA -0.616 60.706 61.300 0.035 0.000 1.129 194 I CB 0.952 38.970 38.000 0.031 0.000 1.288 194 I HN 0.030 nan 8.210 nan 0.000 0.444 195 Y N 4.671 125.052 120.300 0.135 0.000 2.334 195 Y HA 0.403 4.951 4.550 -0.004 0.000 0.336 195 Y C 0.416 176.362 175.900 0.076 0.000 0.960 195 Y CA -0.771 57.406 58.100 0.129 0.000 1.164 195 Y CB 0.999 39.614 38.460 0.258 0.000 1.155 195 Y HN 0.408 nan 8.280 nan 0.000 0.478 196 N N 2.166 120.914 118.700 0.079 0.000 2.424 196 N HA 0.349 5.087 4.740 -0.004 0.000 0.271 196 N C 0.848 176.287 175.510 -0.119 0.000 0.985 196 N CA 0.449 53.482 53.050 -0.028 0.000 0.921 196 N CB 1.876 40.255 38.487 -0.180 0.000 1.149 196 N HN 0.976 nan 8.380 nan 0.000 0.492 197 G N 1.589 110.334 108.800 -0.092 0.000 2.179 197 G HA2 -0.257 3.701 3.960 -0.004 0.000 0.260 197 G HA3 -0.257 3.701 3.960 -0.004 0.000 0.260 197 G C 0.126 174.862 174.900 -0.274 0.000 0.977 197 G CA 0.755 45.724 45.100 -0.218 0.000 0.641 197 G HN 0.661 nan 8.290 nan 0.000 0.533 198 I N -1.750 118.729 120.570 -0.151 0.000 2.865 198 I HA 0.805 4.972 4.170 -0.004 0.000 0.302 198 I C 0.355 176.493 176.117 0.035 0.000 1.140 198 I CA -0.667 60.447 61.300 -0.310 0.000 1.021 198 I CB 1.974 39.600 38.000 -0.623 0.000 1.233 198 I HN 0.165 nan 8.210 nan 0.000 0.427 199 T N -0.380 114.126 114.554 -0.080 0.000 2.874 199 T HA 0.366 4.713 4.350 -0.004 0.000 0.281 199 T C -0.167 174.329 174.700 -0.340 0.000 0.994 199 T CA -0.616 61.310 62.100 -0.289 0.000 1.015 199 T CB 1.231 69.993 68.868 -0.177 0.000 1.028 199 T HN 0.773 nan 8.240 nan 0.000 0.523 200 D N -0.157 119.809 120.400 -0.723 0.000 2.511 200 D HA 0.055 4.693 4.640 -0.004 0.000 0.276 200 D C 0.944 177.160 176.300 -0.141 0.000 1.220 200 D CA -1.109 52.453 54.000 -0.731 0.000 1.077 200 D CB 0.072 40.397 40.800 -0.792 0.000 1.126 200 D HN 0.695 nan 8.370 nan 0.000 0.583 201 W N -0.001 121.239 121.300 -0.100 0.000 2.333 201 W HA -0.201 4.457 4.660 -0.004 0.000 0.316 201 W C 2.169 178.581 176.519 -0.178 0.000 1.215 201 W CA 2.232 59.517 57.345 -0.101 0.000 1.278 201 W CB -0.448 28.890 29.460 -0.203 0.000 1.154 201 W HN 0.175 nan 8.180 nan 0.000 0.486 202 V N -0.073 119.909 119.914 0.114 0.000 2.427 202 V HA -0.294 3.824 4.120 -0.004 0.000 0.248 202 V C 1.895 177.818 176.094 -0.284 0.000 1.051 202 V CA 2.009 64.250 62.300 -0.099 0.000 1.048 202 V CB -0.752 31.024 31.823 -0.079 0.000 0.666 202 V HN 0.301 nan 8.190 nan 0.000 0.456 203 Y N 0.705 120.825 120.300 -0.299 0.000 2.242 203 Y HA -0.186 4.362 4.550 -0.004 0.000 0.291 203 Y C 2.574 178.375 175.900 -0.165 0.000 1.137 203 Y CA 2.133 60.072 58.100 -0.268 0.000 1.181 203 Y CB -0.109 38.071 38.460 -0.467 0.000 0.989 203 Y HN 0.421 nan 8.280 nan 0.000 0.527 204 E N 0.440 120.603 120.200 -0.062 0.000 2.031 204 E HA -0.300 4.047 4.350 -0.004 0.000 0.193 204 E C 2.038 178.598 176.600 -0.068 0.000 0.994 204 E CA 1.627 58.018 56.400 -0.016 0.000 0.800 204 E CB -0.052 29.636 29.700 -0.020 0.000 0.752 204 E HN 0.444 nan 8.360 nan 0.000 0.447 205 E N 0.228 120.200 120.200 -0.381 0.000 2.046 205 E HA -0.156 4.192 4.350 -0.004 0.000 0.190 205 E C 1.696 178.182 176.600 -0.190 0.000 0.982 205 E CA 1.605 57.776 56.400 -0.382 0.000 0.800 205 E CB 0.132 29.278 29.700 -0.923 0.000 0.756 205 E HN 0.265 nan 8.360 nan 0.000 0.449 206 E N -0.641 119.421 120.200 -0.230 0.000 2.431 206 E HA 0.081 4.429 4.350 -0.004 0.000 0.200 206 E C 1.758 178.234 176.600 -0.207 0.000 0.995 206 E CA 0.409 56.719 56.400 -0.150 0.000 0.915 206 E CB 0.974 30.584 29.700 -0.150 0.000 0.930 206 E HN 0.220 nan 8.360 nan 0.000 0.496 207 V N -0.499 119.248 119.914 -0.278 0.000 2.840 207 V HA 0.057 4.174 4.120 -0.004 0.000 0.234 207 V C 1.459 177.317 176.094 -0.393 0.000 1.159 207 V CA 0.689 62.743 62.300 -0.410 0.000 1.194 207 V CB -0.260 31.202 31.823 -0.602 0.000 0.971 207 V HN 0.019 nan 8.190 nan 0.000 0.494 208 F N 0.482 120.449 119.950 0.029 0.000 2.746 208 F HA 0.292 4.817 4.527 -0.004 0.000 0.297 208 F C 1.587 177.354 175.800 -0.056 0.000 1.113 208 F CA 0.337 58.364 58.000 0.046 0.000 1.367 208 F CB -0.164 38.906 39.000 0.116 0.000 1.111 208 F HN 0.050 nan 8.300 nan 0.000 0.590 209 S N 0.541 116.258 115.700 0.029 0.000 3.614 209 S HA -0.001 4.466 4.470 -0.004 0.000 0.360 209 S C 0.021 174.217 174.600 -0.673 0.000 1.023 209 S CA 0.417 58.493 58.200 -0.207 0.000 1.114 209 S CB -1.621 61.514 63.200 -0.108 0.000 0.907 209 S HN 0.651 nan 8.310 nan 0.000 0.470 210 A N -0.576 122.070 122.820 -0.290 0.000 2.597 210 A HA 0.683 5.001 4.320 -0.004 0.000 0.292 210 A C -0.344 177.207 177.584 -0.055 0.000 1.057 210 A CA -0.462 51.425 52.037 -0.250 0.000 0.674 210 A CB 0.300 19.178 19.000 -0.203 0.000 1.278 210 A HN 0.351 nan 8.150 nan 0.000 0.416 211 Y N 1.726 121.847 120.300 -0.297 0.000 2.397 211 Y HA 0.148 4.696 4.550 -0.004 0.000 0.292 211 Y C 1.567 177.142 175.900 -0.542 0.000 1.115 211 Y CA 0.843 58.763 58.100 -0.301 0.000 1.208 211 Y CB -0.030 38.295 38.460 -0.224 0.000 1.046 211 Y HN 0.777 nan 8.280 nan 0.000 0.552 212 S N 0.651 115.771 115.700 -0.967 0.000 2.564 212 S HA 0.519 4.986 4.470 -0.004 0.000 0.278 212 S C 0.245 174.309 174.600 -0.892 0.000 1.333 212 S CA -0.131 57.303 58.200 -1.276 0.000 1.048 212 S CB 1.399 63.446 63.200 -1.922 0.000 0.900 212 S HN 0.453 nan 8.310 nan 0.000 0.505 213 A N 2.591 124.901 122.820 -0.850 0.000 2.992 213 A HA 0.551 4.869 4.320 -0.004 0.000 0.263 213 A C -0.548 176.346 177.584 -1.151 0.000 0.928 213 A CA -0.742 50.733 52.037 -0.937 0.000 1.061 213 A CB -0.606 18.255 19.000 -0.233 0.000 1.173 213 A HN 1.090 nan 8.150 nan 0.000 0.482 214 L N -4.710 115.668 121.223 -1.408 0.000 2.434 214 L HA 0.902 5.239 4.340 -0.004 0.000 0.260 214 L C -1.323 174.992 176.870 -0.925 0.000 0.983 214 L CA -1.167 53.150 54.840 -0.871 0.000 0.820 214 L CB 1.130 42.924 42.059 -0.442 0.000 1.361 214 L HN 0.228 nan 8.230 nan 0.000 0.410 215 W N 1.571 122.915 121.300 0.072 0.000 2.687 215 W HA 0.328 4.986 4.660 -0.003 0.000 0.328 215 W C -1.502 175.246 176.519 0.381 0.000 1.012 215 W CA -0.770 56.740 57.345 0.276 0.000 1.262 215 W CB 1.538 31.217 29.460 0.365 0.000 1.331 215 W HN 0.616 nan 8.180 nan 0.000 0.433 216 W N 2.524 124.026 121.300 0.337 0.000 2.190 216 W HA 0.224 4.882 4.660 -0.004 0.000 0.330 216 W C 1.341 177.702 176.519 -0.264 0.000 1.299 216 W CA 0.316 57.727 57.345 0.111 0.000 1.215 216 W CB 0.867 30.364 29.460 0.062 0.000 1.147 216 W HN 0.195 nan 8.180 nan 0.000 0.563 217 S N 2.567 118.019 115.700 -0.413 0.000 2.600 217 S HA 0.176 4.644 4.470 -0.004 0.000 0.265 217 S C -1.744 172.586 174.600 -0.450 0.000 1.325 217 S CA -0.976 56.397 58.200 -1.378 0.000 1.002 217 S CB 0.944 63.369 63.200 -1.292 0.000 0.921 217 S HN 0.296 nan 8.310 nan 0.000 0.554 218 P HA -0.179 nan 4.420 nan 0.000 0.217 218 P C 0.860 178.118 177.300 -0.071 0.000 1.158 218 P CA 1.796 64.849 63.100 -0.079 0.000 0.887 218 P CB -0.218 31.483 31.700 0.001 0.000 0.792 219 N N -2.256 116.388 118.700 -0.093 0.000 2.230 219 N HA 0.143 4.881 4.740 -0.004 0.000 0.202 219 N C 1.079 176.504 175.510 -0.142 0.000 1.119 219 N CA 0.500 53.494 53.050 -0.094 0.000 0.851 219 N CB -0.610 37.837 38.487 -0.067 0.000 0.990 219 N HN 0.201 nan 8.380 nan 0.000 0.497 220 G N -1.030 107.686 108.800 -0.139 0.000 2.176 220 G HA2 -0.340 3.618 3.960 -0.004 0.000 0.253 220 G HA3 -0.340 3.618 3.960 -0.004 0.000 0.253 220 G C 0.986 175.895 174.900 0.015 0.000 0.979 220 G CA 0.710 45.723 45.100 -0.144 0.000 0.641 220 G HN 0.368 nan 8.290 nan 0.000 0.530 221 T N 0.168 114.663 114.554 -0.098 0.000 2.674 221 T HA 0.184 4.532 4.350 -0.004 0.000 0.265 221 T C 0.912 175.486 174.700 -0.210 0.000 1.039 221 T CA 1.361 63.315 62.100 -0.244 0.000 1.150 221 T CB -0.112 68.453 68.868 -0.505 0.000 0.864 221 T HN 0.286 nan 8.240 nan 0.000 0.427 222 F N 0.374 120.363 119.950 0.065 0.000 2.399 222 F HA 0.610 5.135 4.527 -0.004 0.000 0.328 222 F C -0.142 175.746 175.800 0.147 0.000 1.084 222 F CA -1.597 56.482 58.000 0.132 0.000 1.053 222 F CB 0.949 40.089 39.000 0.234 0.000 1.209 222 F HN -0.083 nan 8.300 nan 0.000 0.502 223 L N 2.676 124.069 121.223 0.284 0.000 2.372 223 L HA 0.794 5.132 4.340 -0.004 0.000 0.273 223 L C -0.653 176.322 176.870 0.175 0.000 0.989 223 L CA -0.543 54.285 54.840 -0.021 0.000 0.841 223 L CB 0.724 42.488 42.059 -0.493 0.000 1.225 223 L HN 0.662 nan 8.230 nan 0.000 0.414 224 A N 4.634 127.633 122.820 0.298 0.000 2.295 224 A HA 0.832 5.149 4.320 -0.004 0.000 0.318 224 A C -1.434 176.235 177.584 0.142 0.000 1.134 224 A CA -0.240 51.850 52.037 0.088 0.000 0.827 224 A CB 0.712 19.820 19.000 0.180 0.000 1.136 224 A HN 0.925 nan 8.150 nan 0.000 0.493 225 Y N -2.139 117.945 120.300 -0.360 0.000 2.624 225 Y HA 0.727 5.275 4.550 -0.004 0.000 0.334 225 Y C -0.395 175.365 175.900 -0.233 0.000 1.155 225 Y CA -0.891 57.099 58.100 -0.183 0.000 1.046 225 Y CB 0.733 39.045 38.460 -0.247 0.000 1.316 225 Y HN 0.961 nan 8.280 nan 0.000 0.457 226 A N 2.121 125.003 122.820 0.104 0.000 2.320 226 A HA 0.707 5.025 4.320 -0.004 0.000 0.334 226 A C -1.124 176.312 177.584 -0.246 0.000 1.147 226 A CA -0.833 51.124 52.037 -0.134 0.000 0.820 226 A CB 1.697 20.562 19.000 -0.225 0.000 1.218 226 A HN 0.815 nan 8.150 nan 0.000 0.482 227 Q N 1.044 120.628 119.800 -0.359 0.000 2.310 227 Q HA 0.582 4.920 4.340 -0.004 0.000 0.270 227 Q C -2.086 173.676 176.000 -0.397 0.000 1.025 227 Q CA -0.352 55.345 55.803 -0.176 0.000 0.772 227 Q CB 0.998 29.859 28.738 0.205 0.000 1.253 227 Q HN 0.588 nan 8.270 nan 0.000 0.450 228 F N 2.362 122.404 119.950 0.153 0.000 2.443 228 F HA 0.413 4.938 4.527 -0.004 0.000 0.335 228 F C 0.460 176.410 175.800 0.250 0.000 1.104 228 F CA -0.909 57.167 58.000 0.127 0.000 1.013 228 F CB 1.318 40.310 39.000 -0.013 0.000 1.136 228 F HN 0.435 nan 8.300 nan 0.000 0.470 229 N N 2.082 121.006 118.700 0.373 0.000 2.518 229 N HA 0.208 4.945 4.740 -0.004 0.000 0.254 229 N C -0.964 174.723 175.510 0.295 0.000 0.979 229 N CA -0.324 52.905 53.050 0.298 0.000 0.930 229 N CB 0.929 39.537 38.487 0.202 0.000 1.152 229 N HN 0.554 nan 8.380 nan 0.000 0.505 230 D N 1.497 122.095 120.400 0.330 0.000 2.427 230 D HA 0.135 4.773 4.640 -0.004 0.000 0.224 230 D C 1.172 177.593 176.300 0.201 0.000 1.157 230 D CA 0.094 54.264 54.000 0.284 0.000 0.828 230 D CB 0.557 41.586 40.800 0.382 0.000 0.974 230 D HN 0.450 nan 8.370 nan 0.000 0.498 231 T N 0.403 115.054 114.554 0.162 0.000 2.685 231 T HA -0.203 4.145 4.350 -0.004 0.000 0.268 231 T C 1.241 175.998 174.700 0.096 0.000 1.034 231 T CA 1.314 63.483 62.100 0.114 0.000 1.149 231 T CB -0.038 68.885 68.868 0.092 0.000 0.860 231 T HN 0.347 nan 8.240 nan 0.000 0.449 232 E N 0.335 120.593 120.200 0.097 0.000 2.501 232 E HA 0.206 4.554 4.350 -0.004 0.000 0.200 232 E C -0.502 176.148 176.600 0.083 0.000 1.016 232 E CA -0.231 56.215 56.400 0.077 0.000 0.921 232 E CB 0.645 30.384 29.700 0.064 0.000 1.034 232 E HN 0.197 nan 8.360 nan 0.000 0.468 233 V N 3.651 123.629 119.914 0.107 0.000 2.508 233 V HA 0.109 4.227 4.120 -0.004 0.000 0.281 233 V C -1.986 174.165 176.094 0.096 0.000 1.041 233 V CA -1.537 60.830 62.300 0.111 0.000 1.016 233 V CB 0.430 32.340 31.823 0.145 0.000 0.984 233 V HN 0.052 nan 8.190 nan 0.000 0.478 234 P HA 0.282 nan 4.420 nan 0.000 0.272 234 P C -0.921 176.414 177.300 0.058 0.000 1.230 234 P CA -0.360 62.776 63.100 0.059 0.000 0.788 234 P CB 0.519 32.250 31.700 0.052 0.000 0.949 235 L N 1.977 123.211 121.223 0.018 0.000 2.317 235 L HA 0.449 4.786 4.340 -0.004 0.000 0.281 235 L C 0.175 176.987 176.870 -0.096 0.000 1.024 235 L CA -0.635 54.197 54.840 -0.013 0.000 0.810 235 L CB 1.093 43.143 42.059 -0.014 0.000 1.240 235 L HN 0.295 nan 8.230 nan 0.000 0.427 236 I N 2.116 122.577 120.570 -0.183 0.000 2.472 236 I HA 0.313 4.481 4.170 -0.004 0.000 0.290 236 I C -0.411 175.544 176.117 -0.269 0.000 1.016 236 I CA 0.300 61.389 61.300 -0.351 0.000 1.348 236 I CB 0.713 38.231 38.000 -0.803 0.000 1.417 236 I HN 0.611 nan 8.210 nan 0.000 0.521 237 E N 7.151 127.213 120.200 -0.230 0.000 2.234 237 E HA 0.505 4.853 4.350 -0.004 0.000 0.266 237 E C -1.801 174.718 176.600 -0.134 0.000 0.877 237 E CA -0.590 55.676 56.400 -0.224 0.000 0.758 237 E CB 2.035 31.640 29.700 -0.159 0.000 1.170 237 E HN 0.581 nan 8.360 nan 0.000 0.415 238 Y N -1.676 118.538 120.300 -0.144 0.000 2.609 238 Y HA 0.568 5.116 4.550 -0.004 0.000 0.336 238 Y C -0.745 175.085 175.900 -0.117 0.000 1.129 238 Y CA -1.245 56.778 58.100 -0.128 0.000 1.040 238 Y CB 0.902 39.295 38.460 -0.111 0.000 1.310 238 Y HN 0.210 nan 8.280 nan 0.000 0.460 239 S N 1.880 117.572 115.700 -0.013 0.000 2.584 239 S HA 0.520 4.987 4.470 -0.004 0.000 0.273 239 S C -1.448 173.006 174.600 -0.243 0.000 1.311 239 S CA -0.430 57.620 58.200 -0.251 0.000 1.034 239 S CB 0.725 63.626 63.200 -0.498 0.000 0.939 239 S HN 0.547 nan 8.310 nan 0.000 0.513 240 F N 1.948 121.631 119.950 -0.445 0.000 2.507 240 F HA 0.438 4.962 4.527 -0.004 0.000 0.328 240 F C -0.290 175.276 175.800 -0.390 0.000 1.136 240 F CA -0.968 56.865 58.000 -0.280 0.000 0.930 240 F CB 0.785 39.755 39.000 -0.051 0.000 1.166 240 F HN 0.649 nan 8.300 nan 0.000 0.436 241 Y N 2.774 122.834 120.300 -0.400 0.000 2.365 241 Y HA 0.112 4.660 4.550 -0.004 0.000 0.293 241 Y C 1.759 177.541 175.900 -0.196 0.000 1.119 241 Y CA 1.112 59.069 58.100 -0.239 0.000 1.203 241 Y CB -0.574 37.749 38.460 -0.228 0.000 1.026 241 Y HN 0.740 nan 8.280 nan 0.000 0.549 242 S N -0.346 115.178 115.700 -0.294 0.000 3.443 242 S HA -0.225 4.242 4.470 -0.004 0.000 0.635 242 S C -0.516 174.108 174.600 0.039 0.000 2.555 242 S CA 0.219 58.427 58.200 0.014 0.000 2.778 242 S CB -1.223 62.117 63.200 0.234 0.000 0.331 242 S HN 0.451 nan 8.310 nan 0.000 1.765 243 D N 1.628 122.080 120.400 0.087 0.000 2.378 243 D HA 0.138 4.776 4.640 -0.004 0.000 0.238 243 D C 1.379 177.705 176.300 0.044 0.000 1.180 243 D CA 0.545 54.581 54.000 0.060 0.000 0.895 243 D CB 0.268 41.108 40.800 0.067 0.000 1.192 243 D HN 0.630 nan 8.370 nan 0.000 0.438 244 E N 0.582 120.797 120.200 0.026 0.000 2.267 244 E HA -0.212 4.135 4.350 -0.004 0.000 0.197 244 E C 1.429 178.038 176.600 0.015 0.000 0.998 244 E CA 1.168 57.576 56.400 0.012 0.000 0.830 244 E CB 0.172 29.873 29.700 0.002 0.000 0.751 244 E HN 0.428 nan 8.360 nan 0.000 0.491 245 S N 0.351 116.067 115.700 0.026 0.000 2.423 245 S HA -0.141 4.327 4.470 -0.004 0.000 0.231 245 S C 1.000 175.621 174.600 0.035 0.000 1.014 245 S CA 0.057 58.273 58.200 0.027 0.000 0.965 245 S CB -0.292 62.928 63.200 0.033 0.000 0.785 245 S HN 0.265 nan 8.310 nan 0.000 0.495 246 L N 2.671 123.924 121.223 0.050 0.000 2.530 246 L HA 0.240 4.578 4.340 -0.004 0.000 0.273 246 L C 1.440 178.338 176.870 0.046 0.000 1.141 246 L CA 0.179 55.059 54.840 0.067 0.000 0.905 246 L CB 0.399 42.513 42.059 0.092 0.000 1.202 246 L HN 0.290 nan 8.230 nan 0.000 0.473 247 Q N 3.932 123.757 119.800 0.042 0.000 2.079 247 Q HA -0.095 4.243 4.340 -0.004 0.000 0.200 247 Q C -0.489 175.410 176.000 -0.167 0.000 0.974 247 Q CA 1.357 57.125 55.803 -0.058 0.000 0.840 247 Q CB 0.123 28.838 28.738 -0.039 0.000 0.898 247 Q HN 0.685 nan 8.270 nan 0.000 0.430 248 Y N 0.538 120.852 120.300 0.024 0.000 2.352 248 Y HA 0.386 4.934 4.550 -0.004 0.000 0.339 248 Y C -2.037 173.875 175.900 0.020 0.000 0.992 248 Y CA -2.901 55.211 58.100 0.019 0.000 1.100 248 Y CB 1.364 39.827 38.460 0.005 0.000 1.192 248 Y HN 0.151 nan 8.280 nan 0.000 0.458 249 P HA 0.044 nan 4.420 nan 0.000 0.269 249 P C -0.849 176.465 177.300 0.023 0.000 1.215 249 P CA -0.564 62.560 63.100 0.039 0.000 0.780 249 P CB 0.684 32.356 31.700 -0.047 0.000 0.898 250 K N 1.120 121.518 120.400 -0.003 0.000 2.143 250 K HA 0.326 4.644 4.320 -0.004 0.000 0.272 250 K C -0.784 175.776 176.600 -0.066 0.000 1.001 250 K CA -0.310 55.978 56.287 0.002 0.000 0.915 250 K CB 0.525 33.060 32.500 0.060 0.000 1.047 250 K HN 0.314 nan 8.250 nan 0.000 0.458 251 T N 3.264 117.765 114.554 -0.089 0.000 2.753 251 T HA 0.203 4.550 4.350 -0.004 0.000 0.297 251 T C -0.506 174.073 174.700 -0.201 0.000 0.981 251 T CA -0.584 61.427 62.100 -0.148 0.000 0.956 251 T CB 0.937 69.731 68.868 -0.123 0.000 0.936 251 T HN 0.316 nan 8.240 nan 0.000 0.463 252 V N 5.775 125.479 119.914 -0.350 0.000 2.530 252 V HA 0.393 4.510 4.120 -0.004 0.000 0.282 252 V C 0.459 176.286 176.094 -0.445 0.000 1.048 252 V CA -0.353 61.687 62.300 -0.433 0.000 0.997 252 V CB 0.725 32.128 31.823 -0.701 0.000 0.987 252 V HN 0.715 nan 8.190 nan 0.000 0.477 253 R N 3.667 124.032 120.500 -0.225 0.000 2.476 253 R HA 0.728 5.066 4.340 -0.004 0.000 0.305 253 R C -1.733 174.550 176.300 -0.028 0.000 0.965 253 R CA -0.608 55.403 56.100 -0.149 0.000 0.867 253 R CB 2.232 32.476 30.300 -0.092 0.000 1.176 253 R HN 0.493 nan 8.270 nan 0.000 0.447 254 V N 3.836 123.733 119.914 -0.028 0.000 2.577 254 V HA 0.330 4.447 4.120 -0.004 0.000 0.303 254 V C -2.405 173.742 176.094 0.087 0.000 1.042 254 V CA -2.440 59.912 62.300 0.088 0.000 0.872 254 V CB 2.233 34.077 31.823 0.035 0.000 0.998 254 V HN 0.605 nan 8.190 nan 0.000 0.423 255 P HA 0.164 nan 4.420 nan 0.000 0.265 255 P C -1.367 176.048 177.300 0.191 0.000 1.222 255 P CA 0.365 63.575 63.100 0.183 0.000 0.767 255 P CB -0.145 31.708 31.700 0.256 0.000 0.801 256 Y N 6.504 126.786 120.300 -0.030 0.000 2.307 256 Y HA 0.378 4.926 4.550 -0.004 0.000 0.323 256 Y C -2.771 173.104 175.900 -0.042 0.000 1.100 256 Y CA -2.850 55.187 58.100 -0.105 0.000 1.140 256 Y CB 1.820 40.089 38.460 -0.318 0.000 1.159 256 Y HN 0.280 nan 8.280 nan 0.000 0.436 257 P HA 0.271 nan 4.420 nan 0.000 0.291 257 P C -0.927 176.444 177.300 0.119 0.000 1.340 257 P CA -0.254 62.904 63.100 0.096 0.000 0.799 257 P CB 1.462 33.196 31.700 0.057 0.000 0.917 258 K N 2.019 122.558 120.400 0.232 0.000 2.102 258 K HA 0.491 4.809 4.320 -0.004 0.000 0.244 258 K C 0.584 177.285 176.600 0.168 0.000 1.021 258 K CA -0.687 55.751 56.287 0.252 0.000 0.913 258 K CB 0.539 33.192 32.500 0.255 0.000 1.062 258 K HN 0.459 nan 8.250 nan 0.000 0.485 259 A N 0.717 123.659 122.820 0.204 0.000 2.580 259 A HA 0.270 4.588 4.320 -0.004 0.000 0.244 259 A C 1.190 178.807 177.584 0.055 0.000 1.045 259 A CA 1.037 53.177 52.037 0.171 0.000 0.761 259 A CB -1.177 18.006 19.000 0.305 0.000 0.962 259 A HN 0.904 nan 8.150 nan 0.000 0.512 260 G N 0.950 109.773 108.800 0.039 0.000 2.205 260 G HA2 0.096 4.054 3.960 -0.004 0.000 0.261 260 G HA3 0.096 4.054 3.960 -0.004 0.000 0.261 260 G C 0.706 175.616 174.900 0.017 0.000 0.980 260 G CA 0.784 45.881 45.100 -0.005 0.000 0.632 260 G HN 2.182 nan 8.290 nan 0.000 0.533 261 A N -0.329 122.520 122.820 0.047 0.000 2.267 261 A HA 0.726 5.044 4.320 -0.004 0.000 0.271 261 A C 0.873 178.489 177.584 0.053 0.000 1.131 261 A CA 0.343 52.411 52.037 0.053 0.000 0.818 261 A CB 0.599 19.645 19.000 0.076 0.000 1.118 261 A HN 1.156 nan 8.150 nan 0.000 0.501 262 V N 2.479 122.426 119.914 0.054 0.000 2.485 262 V HA 0.021 4.139 4.120 -0.004 0.000 0.287 262 V C 0.318 176.458 176.094 0.077 0.000 1.022 262 V CA -0.060 62.274 62.300 0.056 0.000 1.067 262 V CB -0.316 31.540 31.823 0.056 0.000 0.967 262 V HN 0.782 nan 8.190 nan 0.000 0.479 263 N N 6.632 125.378 118.700 0.076 0.000 2.463 263 N HA 0.454 5.191 4.740 -0.004 0.000 0.270 263 N C -2.330 173.268 175.510 0.147 0.000 1.205 263 N CA -1.482 51.637 53.050 0.115 0.000 0.974 263 N CB 1.011 39.563 38.487 0.109 0.000 1.197 263 N HN 0.390 nan 8.380 nan 0.000 0.504 264 P HA 0.106 nan 4.420 nan 0.000 0.274 264 P C -0.474 176.991 177.300 0.275 0.000 1.237 264 P CA -0.160 63.103 63.100 0.273 0.000 0.793 264 P CB 0.413 32.327 31.700 0.356 0.000 0.977 265 T N -1.694 113.001 114.554 0.235 0.000 2.952 265 T HA 0.611 4.959 4.350 -0.004 0.000 0.286 265 T C -0.307 174.533 174.700 0.234 0.000 1.024 265 T CA -0.846 61.351 62.100 0.162 0.000 1.029 265 T CB 1.511 70.438 68.868 0.098 0.000 1.094 265 T HN 0.341 nan 8.240 nan 0.000 0.515 266 V N 0.321 120.350 119.914 0.191 0.000 2.925 266 V HA 0.767 4.885 4.120 -0.004 0.000 0.311 266 V C -1.608 174.571 176.094 0.140 0.000 1.104 266 V CA -0.865 61.520 62.300 0.142 0.000 0.954 266 V CB 2.156 34.109 31.823 0.216 0.000 1.022 266 V HN 1.066 nan 8.190 nan 0.000 0.427 267 K N 4.121 124.530 120.400 0.015 0.000 2.477 267 K HA 0.589 4.907 4.320 -0.004 0.000 0.255 267 K C -1.976 174.527 176.600 -0.163 0.000 0.952 267 K CA -0.494 55.760 56.287 -0.056 0.000 0.826 267 K CB 2.838 35.265 32.500 -0.122 0.000 1.331 267 K HN 0.547 nan 8.250 nan 0.000 0.437 268 F N 2.125 121.760 119.950 -0.525 0.000 2.540 268 F HA 0.593 5.118 4.527 -0.004 0.000 0.317 268 F C -1.542 173.734 175.800 -0.872 0.000 1.104 268 F CA -0.655 57.029 58.000 -0.528 0.000 0.913 268 F CB 0.915 39.727 39.000 -0.314 0.000 1.170 268 F HN 0.399 nan 8.300 nan 0.000 0.450 269 F N 3.731 122.930 119.950 -1.252 0.000 2.613 269 F HA 0.773 5.298 4.527 -0.004 0.000 0.314 269 F C -1.024 174.111 175.800 -1.108 0.000 1.075 269 F CA -1.240 56.148 58.000 -1.021 0.000 0.945 269 F CB 2.056 40.428 39.000 -1.046 0.000 1.310 269 F HN 0.151 nan 8.300 nan 0.000 0.467 270 V N 2.207 121.906 119.914 -0.359 0.000 2.638 270 V HA 0.653 4.770 4.120 -0.004 0.000 0.306 270 V C -1.199 174.981 176.094 0.143 0.000 1.052 270 V CA -0.828 61.346 62.300 -0.210 0.000 0.885 270 V CB 1.921 33.429 31.823 -0.525 0.000 0.999 270 V HN 0.627 nan 8.190 nan 0.000 0.424 271 V N 4.073 124.143 119.914 0.260 0.000 2.680 271 V HA 0.526 4.644 4.120 -0.004 0.000 0.309 271 V C -0.164 176.163 176.094 0.388 0.000 1.052 271 V CA -0.647 61.834 62.300 0.302 0.000 0.908 271 V CB 2.044 33.985 31.823 0.197 0.000 1.001 271 V HN 1.016 nan 8.190 nan 0.000 0.431 272 N N 3.120 122.031 118.700 0.353 0.000 2.439 272 N HA 0.134 4.871 4.740 -0.004 0.000 0.243 272 N C 1.256 176.779 175.510 0.021 0.000 1.088 272 N CA 0.367 53.516 53.050 0.165 0.000 0.940 272 N CB 1.101 39.656 38.487 0.114 0.000 1.180 272 N HN 0.894 nan 8.380 nan 0.000 0.505 273 T N 0.133 114.692 114.554 0.008 0.000 3.035 273 T HA -0.078 4.270 4.350 -0.004 0.000 0.268 273 T C 0.925 175.584 174.700 -0.067 0.000 1.109 273 T CA 0.816 62.917 62.100 0.001 0.000 1.119 273 T CB 0.031 68.995 68.868 0.161 0.000 0.900 273 T HN 0.367 nan 8.240 nan 0.000 0.503 274 D N 1.817 122.154 120.400 -0.106 0.000 2.312 274 D HA -0.011 4.627 4.640 -0.004 0.000 0.211 274 D C 2.237 178.476 176.300 -0.102 0.000 0.964 274 D CA 1.195 55.128 54.000 -0.112 0.000 0.877 274 D CB -0.116 40.596 40.800 -0.147 0.000 0.924 274 D HN 0.694 nan 8.370 nan 0.000 0.515 275 S N -0.681 114.962 115.700 -0.095 0.000 2.548 275 S HA 0.081 4.549 4.470 -0.004 0.000 0.215 275 S C 2.039 176.567 174.600 -0.119 0.000 0.976 275 S CA -0.215 57.944 58.200 -0.069 0.000 0.908 275 S CB -0.205 62.985 63.200 -0.016 0.000 0.781 275 S HN 0.163 nan 8.310 nan 0.000 0.519 276 L N 2.405 123.491 121.223 -0.228 0.000 2.043 276 L HA -0.128 4.210 4.340 -0.004 0.000 0.212 276 L C 2.788 179.353 176.870 -0.509 0.000 1.075 276 L CA 1.712 56.269 54.840 -0.473 0.000 0.752 276 L CB -0.829 40.712 42.059 -0.862 0.000 0.891 276 L HN 0.597 nan 8.230 nan 0.000 0.432 277 S N -2.939 112.564 115.700 -0.329 0.000 2.603 277 S HA 0.046 4.513 4.470 -0.004 0.000 0.220 277 S C 1.603 176.211 174.600 0.013 0.000 0.967 277 S CA 0.423 58.590 58.200 -0.055 0.000 0.920 277 S CB 0.420 63.647 63.200 0.045 0.000 0.773 277 S HN 0.235 nan 8.310 nan 0.000 0.529 278 S N 0.624 116.311 115.700 -0.022 0.000 2.506 278 S HA 0.338 4.806 4.470 -0.004 0.000 0.219 278 S C 0.498 175.111 174.600 0.022 0.000 1.031 278 S CA 0.139 58.345 58.200 0.009 0.000 0.911 278 S CB 0.674 63.875 63.200 0.001 0.000 0.812 278 S HN 0.640 nan 8.310 nan 0.000 0.497 279 V N 0.274 120.198 119.914 0.017 0.000 2.864 279 V HA 0.579 4.697 4.120 -0.004 0.000 0.314 279 V C 1.196 177.327 176.094 0.061 0.000 1.073 279 V CA -0.352 61.969 62.300 0.035 0.000 0.956 279 V CB 1.098 32.940 31.823 0.031 0.000 1.023 279 V HN 0.253 nan 8.190 nan 0.000 0.435 280 T N -0.996 113.597 114.554 0.066 0.000 2.867 280 T HA -0.037 4.311 4.350 -0.004 0.000 0.268 280 T C 0.779 175.548 174.700 0.115 0.000 1.057 280 T CA 1.729 63.883 62.100 0.091 0.000 1.136 280 T CB -0.381 68.522 68.868 0.057 0.000 0.874 280 T HN 0.828 nan 8.240 nan 0.000 0.466 281 N N 0.989 119.738 118.700 0.081 0.000 2.685 281 N HA 0.512 5.249 4.740 -0.004 0.000 0.252 281 N C -0.928 174.632 175.510 0.083 0.000 1.261 281 N CA -0.225 52.884 53.050 0.099 0.000 0.768 281 N CB 1.160 39.647 38.487 0.001 0.000 1.304 281 N HN 0.528 nan 8.380 nan 0.000 0.536 282 A N 1.630 124.503 122.820 0.088 0.000 2.531 282 A HA 0.309 4.627 4.320 -0.004 0.000 0.236 282 A C 0.332 177.974 177.584 0.097 0.000 1.062 282 A CA 0.403 52.484 52.037 0.074 0.000 0.760 282 A CB -0.116 18.909 19.000 0.042 0.000 0.995 282 A HN 0.519 nan 8.150 nan 0.000 0.501 283 T N 2.658 117.277 114.554 0.108 0.000 2.832 283 T HA 0.331 4.678 4.350 -0.004 0.000 0.296 283 T C 0.385 175.180 174.700 0.159 0.000 0.968 283 T CA 0.076 62.249 62.100 0.121 0.000 1.107 283 T CB 0.653 69.596 68.868 0.125 0.000 0.916 283 T HN 0.538 nan 8.240 nan 0.000 0.517 284 S N 3.854 119.635 115.700 0.135 0.000 2.411 284 S HA 0.308 4.776 4.470 -0.004 0.000 0.294 284 S C 0.333 175.084 174.600 0.252 0.000 1.115 284 S CA -0.763 57.533 58.200 0.159 0.000 1.071 284 S CB -0.027 63.179 63.200 0.011 0.000 0.967 284 S HN 0.437 nan 8.310 nan 0.000 0.488 285 I N 3.660 124.397 120.570 0.279 0.000 2.396 285 I HA 0.209 4.376 4.170 -0.004 0.000 0.289 285 I C 0.708 176.955 176.117 0.217 0.000 1.056 285 I CA -0.103 61.370 61.300 0.290 0.000 1.365 285 I CB 0.501 38.744 38.000 0.405 0.000 1.407 285 I HN 0.639 nan 8.210 nan 0.000 0.509 286 Q N 6.146 126.047 119.800 0.169 0.000 2.293 286 Q HA 0.461 4.798 4.340 -0.004 0.000 0.251 286 Q C -1.013 174.929 176.000 -0.096 0.000 0.930 286 Q CA -0.429 55.275 55.803 -0.165 0.000 0.893 286 Q CB 1.279 29.850 28.738 -0.278 0.000 1.215 286 Q HN 0.555 nan 8.270 nan 0.000 0.425 287 I N 4.110 124.608 120.570 -0.120 0.000 2.354 287 I HA 0.179 4.347 4.170 -0.004 0.000 0.286 287 I C 0.242 176.357 176.117 -0.002 0.000 1.007 287 I CA -0.648 60.658 61.300 0.009 0.000 1.167 287 I CB 1.504 39.551 38.000 0.078 0.000 1.320 287 I HN 0.685 nan 8.210 nan 0.000 0.458 288 T N 3.103 117.617 114.554 -0.067 0.000 2.899 288 T HA 0.597 4.945 4.350 -0.004 0.000 0.295 288 T C 0.410 174.929 174.700 -0.301 0.000 1.033 288 T CA -0.813 61.192 62.100 -0.158 0.000 1.084 288 T CB 1.544 70.317 68.868 -0.159 0.000 0.979 288 T HN 0.575 nan 8.240 nan 0.000 0.532 289 A N 3.923 126.341 122.820 -0.671 0.000 2.406 289 A HA 0.558 4.876 4.320 -0.004 0.000 0.243 289 A C -1.729 175.391 177.584 -0.774 0.000 1.082 289 A CA -1.501 49.729 52.037 -1.345 0.000 0.786 289 A CB -0.628 17.208 19.000 -1.939 0.000 1.029 289 A HN 0.831 nan 8.150 nan 0.000 0.495 290 P HA 0.161 nan 4.420 nan 0.000 0.272 290 P C 0.741 177.832 177.300 -0.348 0.000 1.240 290 P CA 0.512 63.383 63.100 -0.382 0.000 0.791 290 P CB 0.814 32.355 31.700 -0.264 0.000 0.978 291 A N 2.289 124.974 122.820 -0.225 0.000 1.917 291 A HA -0.208 4.110 4.320 -0.004 0.000 0.219 291 A C 2.250 179.724 177.584 -0.182 0.000 1.182 291 A CA 2.520 54.445 52.037 -0.186 0.000 0.633 291 A CB -1.873 17.051 19.000 -0.126 0.000 0.819 291 A HN 0.684 nan 8.150 nan 0.000 0.448 292 S N -1.278 114.332 115.700 -0.150 0.000 2.440 292 S HA -0.124 4.344 4.470 -0.004 0.000 0.238 292 S C 1.731 176.236 174.600 -0.157 0.000 1.010 292 S CA 1.646 59.774 58.200 -0.120 0.000 0.972 292 S CB -0.305 62.891 63.200 -0.006 0.000 0.774 292 S HN 0.421 nan 8.310 nan 0.000 0.501 293 M N 0.691 120.133 119.600 -0.264 0.000 2.556 293 M HA 0.361 4.839 4.480 -0.004 0.000 0.264 293 M C 2.011 178.024 176.300 -0.479 0.000 1.163 293 M CA 0.631 55.700 55.300 -0.386 0.000 1.186 293 M CB -1.098 31.117 32.600 -0.642 0.000 1.321 293 M HN 0.311 nan 8.290 nan 0.000 0.485 294 L N 1.079 122.024 121.223 -0.463 0.000 2.353 294 L HA -0.150 4.188 4.340 -0.004 0.000 0.220 294 L C 2.304 179.100 176.870 -0.124 0.000 1.133 294 L CA 0.698 55.361 54.840 -0.295 0.000 0.798 294 L CB -0.901 41.005 42.059 -0.255 0.000 0.922 294 L HN 0.321 nan 8.230 nan 0.000 0.445 295 I N -2.635 117.860 120.570 -0.124 0.000 2.756 295 I HA 0.093 4.261 4.170 -0.004 0.000 0.262 295 I C 1.044 177.135 176.117 -0.042 0.000 1.225 295 I CA 0.746 61.998 61.300 -0.079 0.000 1.472 295 I CB -0.477 37.467 38.000 -0.093 0.000 1.094 295 I HN 0.108 nan 8.210 nan 0.000 0.454 296 G N 0.051 108.845 108.800 -0.010 0.000 2.682 296 G HA2 0.274 4.232 3.960 -0.004 0.000 0.303 296 G HA3 0.274 4.232 3.960 -0.004 0.000 0.303 296 G C -1.820 173.134 174.900 0.090 0.000 1.341 296 G CA -0.586 44.523 45.100 0.015 0.000 0.784 296 G HN 0.026 nan 8.290 nan 0.000 0.497 297 D N 1.124 121.526 120.400 0.003 0.000 2.443 297 D HA 0.428 5.066 4.640 -0.004 0.000 0.239 297 D C 0.410 176.646 176.300 -0.107 0.000 1.136 297 D CA 0.763 54.705 54.000 -0.097 0.000 0.879 297 D CB 0.454 41.163 40.800 -0.152 0.000 1.195 297 D HN 0.551 nan 8.370 nan 0.000 0.443 298 H N -0.951 117.968 119.070 -0.252 0.000 2.918 298 H HA 0.435 4.989 4.556 -0.004 0.000 0.303 298 H C -1.410 173.767 175.328 -0.252 0.000 1.380 298 H CA -0.795 55.099 56.048 -0.257 0.000 1.134 298 H CB 0.312 30.060 29.762 -0.023 0.000 1.842 298 H HN 0.308 nan 8.280 nan 0.000 0.533 299 Y N -0.035 120.492 120.300 0.378 0.000 2.553 299 Y HA 0.414 4.962 4.550 -0.004 0.000 0.347 299 Y C -0.437 175.766 175.900 0.505 0.000 1.019 299 Y CA -1.154 57.186 58.100 0.400 0.000 1.032 299 Y CB 1.946 40.487 38.460 0.136 0.000 1.284 299 Y HN 0.501 nan 8.280 nan 0.000 0.466 300 L N 2.929 124.535 121.223 0.638 0.000 2.265 300 L HA 0.443 4.781 4.340 -0.004 0.000 0.288 300 L C 0.386 177.335 176.870 0.132 0.000 1.058 300 L CA -0.285 54.588 54.840 0.056 0.000 0.809 300 L CB 0.509 42.523 42.059 -0.075 0.000 1.179 300 L HN 0.976 nan 8.230 nan 0.000 0.429 301 C N 1.346 120.567 119.300 -0.132 0.000 3.392 301 C HA 0.529 4.987 4.460 -0.004 0.000 0.301 301 C C 0.119 174.915 174.990 -0.323 0.000 1.354 301 C CA -0.390 58.463 59.018 -0.274 0.000 1.732 301 C CB -0.749 26.889 27.740 -0.170 0.000 2.269 301 C HN 0.857 nan 8.230 nan 0.000 0.673 302 D N 0.126 120.383 120.400 -0.238 0.000 2.769 302 D HA 0.431 5.068 4.640 -0.004 0.000 0.219 302 D C -1.896 174.147 176.300 -0.430 0.000 1.245 302 D CA 0.111 54.001 54.000 -0.184 0.000 0.801 302 D CB 2.739 43.419 40.800 -0.199 0.000 1.598 302 D HN 0.048 nan 8.370 nan 0.000 0.485 303 V N 2.356 121.952 119.914 -0.531 0.000 2.569 303 V HA 0.562 4.680 4.120 -0.004 0.000 0.301 303 V C -0.520 175.173 176.094 -0.668 0.000 1.044 303 V CA -0.370 61.359 62.300 -0.952 0.000 0.874 303 V CB 1.974 32.661 31.823 -1.893 0.000 1.002 303 V HN 0.649 nan 8.190 nan 0.000 0.424 304 T N 3.527 117.775 114.554 -0.509 0.000 3.109 304 T HA 0.347 4.695 4.350 -0.004 0.000 0.311 304 T C -0.927 173.630 174.700 -0.240 0.000 1.011 304 T CA -0.477 61.490 62.100 -0.222 0.000 1.026 304 T CB 0.860 69.682 68.868 -0.076 0.000 1.047 304 T HN 0.518 nan 8.240 nan 0.000 0.448 305 W N 2.103 123.345 121.300 -0.097 0.000 2.216 305 W HA 0.485 5.143 4.660 -0.004 0.000 0.326 305 W C 1.141 177.525 176.519 -0.225 0.000 1.319 305 W CA -0.281 56.996 57.345 -0.112 0.000 1.213 305 W CB 0.626 30.108 29.460 0.037 0.000 1.171 305 W HN 0.855 nan 8.180 nan 0.000 0.557 306 A N 1.913 124.617 122.820 -0.193 0.000 1.909 306 A HA 0.201 4.519 4.320 -0.004 0.000 0.209 306 A C 0.902 178.447 177.584 -0.066 0.000 1.247 306 A CA 1.531 53.215 52.037 -0.588 0.000 0.660 306 A CB -0.402 17.850 19.000 -1.246 0.000 0.910 306 A HN 0.533 nan 8.150 nan 0.000 0.465 307 T N -5.467 109.148 114.554 0.102 0.000 2.654 307 T HA 0.348 4.696 4.350 -0.004 0.000 0.289 307 T C 0.159 175.020 174.700 0.267 0.000 1.062 307 T CA -0.341 61.860 62.100 0.168 0.000 1.041 307 T CB 0.675 69.628 68.868 0.142 0.000 1.417 307 T HN -0.021 nan 8.240 nan 0.000 0.510 308 Q N 0.296 120.217 119.800 0.202 0.000 2.291 308 Q HA 0.037 4.375 4.340 -0.004 0.000 0.206 308 Q C 0.743 176.988 176.000 0.408 0.000 0.976 308 Q CA 1.413 57.337 55.803 0.200 0.000 0.875 308 Q CB -0.122 28.698 28.738 0.136 0.000 0.927 308 Q HN 0.821 nan 8.270 nan 0.000 0.450 309 E N -0.209 120.244 120.200 0.422 0.000 2.876 309 E HA 0.206 4.554 4.350 -0.004 0.000 0.208 309 E C -0.317 176.570 176.600 0.479 0.000 0.981 309 E CA -0.163 56.518 56.400 0.468 0.000 1.174 309 E CB 1.026 30.901 29.700 0.293 0.000 1.047 309 E HN -0.035 nan 8.360 nan 0.000 0.477 310 R N 1.571 122.380 120.500 0.516 0.000 2.533 310 R HA 0.526 4.864 4.340 -0.004 0.000 0.288 310 R C -1.830 174.514 176.300 0.074 0.000 1.039 310 R CA -0.459 55.812 56.100 0.285 0.000 0.909 310 R CB 1.379 31.733 30.300 0.090 0.000 1.195 310 R HN 0.096 nan 8.270 nan 0.000 0.438 311 I N 2.941 123.380 120.570 -0.219 0.000 2.689 311 I HA 0.472 4.640 4.170 -0.004 0.000 0.299 311 I C -0.991 174.814 176.117 -0.520 0.000 1.059 311 I CA -0.525 60.368 61.300 -0.679 0.000 1.055 311 I CB 2.328 39.467 38.000 -1.435 0.000 1.243 311 I HN 0.857 nan 8.210 nan 0.000 0.425 312 S N 7.503 122.880 115.700 -0.538 0.000 2.503 312 S HA 0.809 5.276 4.470 -0.004 0.000 0.301 312 S C -1.068 173.210 174.600 -0.537 0.000 1.087 312 S CA -0.700 57.261 58.200 -0.400 0.000 1.042 312 S CB 1.654 64.730 63.200 -0.207 0.000 1.043 312 S HN 0.562 nan 8.310 nan 0.000 0.489 313 L N 1.677 122.595 121.223 -0.509 0.000 2.422 313 L HA 0.572 4.910 4.340 -0.004 0.000 0.264 313 L C -0.579 175.972 176.870 -0.533 0.000 0.984 313 L CA -0.751 53.669 54.840 -0.701 0.000 0.819 313 L CB 2.263 43.767 42.059 -0.925 0.000 1.330 313 L HN 0.681 nan 8.230 nan 0.000 0.410 314 Q N 1.318 120.769 119.800 -0.582 0.000 2.337 314 Q HA 0.494 4.832 4.340 -0.004 0.000 0.266 314 Q C -1.812 173.941 176.000 -0.413 0.000 1.023 314 Q CA -0.598 54.997 55.803 -0.347 0.000 0.829 314 Q CB 2.702 31.299 28.738 -0.234 0.000 1.306 314 Q HN 0.420 nan 8.270 nan 0.000 0.449 315 W N 2.259 123.518 121.300 -0.069 0.000 2.689 315 W HA 0.623 5.281 4.660 -0.004 0.000 0.340 315 W C -0.988 175.568 176.519 0.061 0.000 1.060 315 W CA -0.682 56.673 57.345 0.017 0.000 1.218 315 W CB 1.185 30.636 29.460 -0.015 0.000 1.410 315 W HN 0.377 nan 8.180 nan 0.000 0.528 316 L N 2.956 124.412 121.223 0.388 0.000 2.385 316 L HA 0.577 4.915 4.340 -0.004 0.000 0.273 316 L C -0.079 176.982 176.870 0.319 0.000 0.990 316 L CA -1.157 53.869 54.840 0.311 0.000 0.821 316 L CB 1.262 43.486 42.059 0.275 0.000 1.279 316 L HN 0.409 nan 8.230 nan 0.000 0.412 317 R N 2.605 123.254 120.500 0.248 0.000 2.641 317 R HA 0.209 4.547 4.340 -0.004 0.000 0.269 317 R C 1.006 177.352 176.300 0.077 0.000 1.074 317 R CA -0.187 56.001 56.100 0.147 0.000 1.133 317 R CB 0.535 30.907 30.300 0.121 0.000 1.029 317 R HN 0.654 nan 8.270 nan 0.000 0.488 318 R N 1.204 121.655 120.500 -0.080 0.000 2.127 318 R HA -0.084 4.254 4.340 -0.004 0.000 0.238 318 R C 0.355 176.694 176.300 0.066 0.000 1.134 318 R CA 1.120 57.155 56.100 -0.108 0.000 0.975 318 R CB 0.180 30.377 30.300 -0.171 0.000 0.865 318 R HN 0.372 nan 8.270 nan 0.000 0.447 319 I N 2.671 123.272 120.570 0.052 0.000 2.281 319 I HA 0.018 4.186 4.170 -0.004 0.000 0.293 319 I C 0.277 176.452 176.117 0.097 0.000 1.085 319 I CA 0.288 61.624 61.300 0.060 0.000 1.257 319 I CB 1.014 39.036 38.000 0.036 0.000 1.430 319 I HN 0.237 nan 8.210 nan 0.000 0.489 320 Q N 4.358 124.217 119.800 0.098 0.000 2.294 320 Q HA -0.076 4.262 4.340 -0.004 0.000 0.207 320 Q C 0.538 176.615 176.000 0.129 0.000 0.887 320 Q CA 0.162 56.036 55.803 0.118 0.000 0.987 320 Q CB -0.311 28.461 28.738 0.056 0.000 1.101 320 Q HN 0.614 nan 8.270 nan 0.000 0.447 321 N N -0.963 117.816 118.700 0.132 0.000 2.235 321 N HA -0.028 4.710 4.740 -0.004 0.000 0.231 321 N C -1.123 174.493 175.510 0.177 0.000 1.177 321 N CA -0.242 52.878 53.050 0.117 0.000 0.874 321 N CB 0.301 38.835 38.487 0.078 0.000 1.097 321 N HN 0.168 nan 8.380 nan 0.000 0.518 322 Y N 1.255 121.582 120.300 0.045 0.000 2.330 322 Y HA 0.505 5.053 4.550 -0.004 0.000 0.324 322 Y C -1.110 174.827 175.900 0.062 0.000 1.093 322 Y CA -0.920 57.205 58.100 0.042 0.000 1.103 322 Y CB 1.335 39.811 38.460 0.027 0.000 1.183 322 Y HN 0.161 nan 8.280 nan 0.000 0.433 323 S N 4.119 119.724 115.700 -0.158 0.000 2.568 323 S HA 0.937 5.404 4.470 -0.004 0.000 0.293 323 S C -1.728 172.779 174.600 -0.155 0.000 1.089 323 S CA -0.749 57.425 58.200 -0.044 0.000 0.945 323 S CB 2.083 65.280 63.200 -0.006 0.000 1.077 323 S HN 0.410 nan 8.310 nan 0.000 0.485 324 V N 2.902 122.820 119.914 0.007 0.000 2.638 324 V HA 0.535 4.653 4.120 -0.004 0.000 0.306 324 V C -0.561 175.577 176.094 0.073 0.000 1.052 324 V CA -0.642 61.667 62.300 0.015 0.000 0.885 324 V CB 1.835 33.700 31.823 0.070 0.000 0.999 324 V HN 1.038 nan 8.190 nan 0.000 0.424 325 M N 3.771 123.384 119.600 0.022 0.000 2.205 325 M HA 0.554 5.032 4.480 -0.004 0.000 0.344 325 M C -1.463 174.855 176.300 0.030 0.000 1.085 325 M CA -0.291 54.998 55.300 -0.017 0.000 1.001 325 M CB 1.320 33.851 32.600 -0.114 0.000 1.626 325 M HN 0.607 nan 8.290 nan 0.000 0.442 326 D N 5.035 125.442 120.400 0.013 0.000 2.198 326 D HA 0.555 5.193 4.640 -0.004 0.000 0.247 326 D C -0.962 175.312 176.300 -0.043 0.000 1.010 326 D CA -0.077 53.932 54.000 0.014 0.000 0.880 326 D CB 2.044 42.870 40.800 0.044 0.000 1.209 326 D HN 0.615 nan 8.370 nan 0.000 0.451 327 I N 2.007 122.576 120.570 -0.002 0.000 2.410 327 I HA 0.280 4.448 4.170 -0.004 0.000 0.286 327 I C -0.625 175.494 176.117 0.005 0.000 1.009 327 I CA -0.604 60.688 61.300 -0.015 0.000 1.111 327 I CB 1.352 39.400 38.000 0.081 0.000 1.262 327 I HN 0.158 nan 8.210 nan 0.000 0.443 328 c N 3.851 122.443 118.600 -0.013 0.000 2.351 328 c HA 0.544 5.111 4.570 -0.004 0.000 0.326 328 c C -0.270 173.971 174.090 0.252 0.000 1.272 328 c CA -0.751 55.639 56.329 0.103 0.000 1.650 328 c CB 0.976 43.544 42.510 0.096 0.000 2.257 328 c HN 0.577 nan 8.230 nan 0.000 0.505 329 D N 0.351 120.877 120.400 0.210 0.000 2.185 329 D HA 0.310 4.948 4.640 -0.004 0.000 0.247 329 D C -0.628 175.608 176.300 -0.107 0.000 1.027 329 D CA -0.222 53.856 54.000 0.132 0.000 0.861 329 D CB 0.855 41.682 40.800 0.044 0.000 1.202 329 D HN 0.580 nan 8.370 nan 0.000 0.453 330 Y N 1.473 121.384 120.300 -0.648 0.000 2.377 330 Y HA 0.198 4.746 4.550 -0.004 0.000 0.330 330 Y C -0.168 175.433 175.900 -0.499 0.000 1.108 330 Y CA -0.285 57.108 58.100 -1.177 0.000 1.308 330 Y CB 0.694 38.398 38.460 -1.260 0.000 1.216 330 Y HN 0.158 nan 8.280 nan 0.000 0.518 331 D N 5.436 125.210 120.400 -1.044 0.000 2.467 331 D HA 0.075 4.713 4.640 -0.004 0.000 0.220 331 D C 0.805 176.560 176.300 -0.908 0.000 1.103 331 D CA -0.119 53.473 54.000 -0.680 0.000 0.886 331 D CB 0.580 41.136 40.800 -0.408 0.000 1.025 331 D HN 0.850 nan 8.370 nan 0.000 0.514 332 E N 1.838 121.647 120.200 -0.652 0.000 2.267 332 E HA -0.209 4.138 4.350 -0.004 0.000 0.197 332 E C 1.245 177.728 176.600 -0.194 0.000 0.998 332 E CA 1.231 57.427 56.400 -0.340 0.000 0.830 332 E CB 0.354 30.046 29.700 -0.014 0.000 0.751 332 E HN 0.511 nan 8.360 nan 0.000 0.491 333 S N -0.722 114.864 115.700 -0.191 0.000 2.446 333 S HA -0.050 4.417 4.470 -0.004 0.000 0.225 333 S C 1.898 176.432 174.600 -0.109 0.000 1.016 333 S CA 0.787 58.922 58.200 -0.109 0.000 0.943 333 S CB 0.293 63.443 63.200 -0.084 0.000 0.786 333 S HN 0.226 nan 8.310 nan 0.000 0.508 334 S N -0.322 115.274 115.700 -0.174 0.000 2.559 334 S HA 0.493 4.961 4.470 -0.004 0.000 0.226 334 S C 1.521 176.044 174.600 -0.127 0.000 1.000 334 S CA 0.428 58.552 58.200 -0.126 0.000 0.948 334 S CB -0.235 62.893 63.200 -0.119 0.000 0.870 334 S HN 1.384 nan 8.310 nan 0.000 0.497 335 G N 2.107 110.767 108.800 -0.234 0.000 2.187 335 G HA2 -0.253 3.705 3.960 -0.004 0.000 0.261 335 G HA3 -0.253 3.705 3.960 -0.004 0.000 0.261 335 G C 0.109 174.971 174.900 -0.063 0.000 1.000 335 G CA 0.392 45.435 45.100 -0.095 0.000 0.718 335 G HN 0.527 nan 8.290 nan 0.000 0.519 336 R N -1.699 118.648 120.500 -0.255 0.000 2.856 336 R HA 0.675 5.013 4.340 -0.004 0.000 0.258 336 R C -0.773 175.366 176.300 -0.268 0.000 1.066 336 R CA -1.080 54.964 56.100 -0.092 0.000 1.045 336 R CB 0.635 30.913 30.300 -0.037 0.000 1.178 336 R HN 0.184 nan 8.270 nan 0.000 0.499 337 W N 0.494 121.791 121.300 -0.005 0.000 2.471 337 W HA 0.414 5.072 4.660 -0.004 0.000 0.318 337 W C -0.328 176.171 176.519 -0.033 0.000 1.034 337 W CA -0.373 56.967 57.345 -0.008 0.000 1.224 337 W CB 1.056 30.520 29.460 0.006 0.000 1.335 337 W HN 0.403 nan 8.180 nan 0.000 0.452 338 N N 2.035 120.808 118.700 0.122 0.000 2.321 338 N HA 0.577 5.315 4.740 -0.004 0.000 0.299 338 N C -1.532 174.019 175.510 0.069 0.000 1.048 338 N CA -0.679 52.409 53.050 0.064 0.000 0.836 338 N CB 1.357 39.842 38.487 -0.002 0.000 1.269 338 N HN 0.180 nan 8.380 nan 0.000 0.486 339 c N 2.637 121.262 118.600 0.042 0.000 2.258 339 c HA 0.383 4.951 4.570 -0.004 0.000 0.321 339 c C 0.316 174.409 174.090 0.006 0.000 1.168 339 c CA -1.101 55.244 56.329 0.027 0.000 1.531 339 c CB -1.321 41.198 42.510 0.015 0.000 2.095 339 c HN 0.609 nan 8.230 nan 0.000 0.449 340 L N 2.603 123.832 121.223 0.009 0.000 2.513 340 L HA 0.045 4.383 4.340 -0.004 0.000 0.272 340 L C 1.658 178.518 176.870 -0.017 0.000 1.187 340 L CA 0.258 55.096 54.840 -0.004 0.000 0.895 340 L CB 0.594 42.654 42.059 0.003 0.000 1.147 340 L HN 0.659 nan 8.230 nan 0.000 0.483 341 V N 4.352 124.249 119.914 -0.029 0.000 2.469 341 V HA -0.275 3.843 4.120 -0.004 0.000 0.251 341 V C 2.254 178.311 176.094 -0.061 0.000 1.064 341 V CA 2.180 64.454 62.300 -0.044 0.000 1.066 341 V CB -0.067 31.730 31.823 -0.043 0.000 0.667 341 V HN 0.998 nan 8.190 nan 0.000 0.461 342 A N -0.235 122.556 122.820 -0.047 0.000 2.178 342 A HA -0.096 4.222 4.320 -0.004 0.000 0.218 342 A C 2.158 179.695 177.584 -0.079 0.000 1.157 342 A CA 1.417 53.420 52.037 -0.057 0.000 0.689 342 A CB -0.439 18.543 19.000 -0.030 0.000 0.787 342 A HN 0.648 nan 8.150 nan 0.000 0.465 343 R N -0.947 119.520 120.500 -0.055 0.000 2.432 343 R HA 0.155 4.493 4.340 -0.004 0.000 0.260 343 R C 0.446 176.702 176.300 -0.074 0.000 0.935 343 R CA -0.156 55.939 56.100 -0.009 0.000 1.080 343 R CB 0.256 30.608 30.300 0.086 0.000 1.155 343 R HN 0.600 nan 8.270 nan 0.000 0.531 344 Q N 0.858 120.553 119.800 -0.176 0.000 2.267 344 Q HA 0.120 4.458 4.340 -0.004 0.000 0.255 344 Q C -1.181 174.620 176.000 -0.332 0.000 0.923 344 Q CA -0.256 55.465 55.803 -0.138 0.000 0.925 344 Q CB 0.737 29.427 28.738 -0.080 0.000 1.195 344 Q HN 0.224 nan 8.270 nan 0.000 0.417 345 H N 2.973 122.038 119.070 -0.009 0.000 2.547 345 H HA 0.426 4.980 4.556 -0.004 0.000 0.342 345 H C -0.741 174.553 175.328 -0.055 0.000 1.048 345 H CA -0.477 55.567 56.048 -0.006 0.000 1.204 345 H CB 1.222 30.976 29.762 -0.013 0.000 1.493 345 H HN 0.527 nan 8.280 nan 0.000 0.511 346 I N 2.026 122.611 120.570 0.025 0.000 2.385 346 I HA 0.250 4.417 4.170 -0.004 0.000 0.294 346 I C -0.002 176.057 176.117 -0.096 0.000 0.988 346 I CA -0.262 60.966 61.300 -0.121 0.000 1.265 346 I CB 1.405 39.301 38.000 -0.173 0.000 1.388 346 I HN 0.582 nan 8.210 nan 0.000 0.480 347 E N 8.054 128.141 120.200 -0.189 0.000 2.283 347 E HA 0.510 4.858 4.350 -0.004 0.000 0.258 347 E C -1.221 175.281 176.600 -0.163 0.000 0.893 347 E CA -0.647 55.692 56.400 -0.101 0.000 0.798 347 E CB 1.384 31.060 29.700 -0.040 0.000 1.242 347 E HN 0.627 nan 8.360 nan 0.000 0.414 348 M N 1.232 120.770 119.600 -0.104 0.000 2.719 348 M HA 0.681 5.159 4.480 -0.004 0.000 0.291 348 M C -1.079 175.220 176.300 -0.001 0.000 1.264 348 M CA -0.927 54.342 55.300 -0.052 0.000 0.811 348 M CB 2.307 34.904 32.600 -0.004 0.000 1.756 348 M HN 0.242 nan 8.290 nan 0.000 0.464 349 S N -0.473 115.237 115.700 0.017 0.000 2.571 349 S HA 0.501 4.969 4.470 -0.004 0.000 0.284 349 S C 0.248 174.849 174.600 0.001 0.000 1.128 349 S CA -0.005 58.193 58.200 -0.004 0.000 0.970 349 S CB 1.729 64.899 63.200 -0.050 0.000 1.039 349 S HN 0.919 nan 8.310 nan 0.000 0.485 350 T N 0.185 114.740 114.554 0.002 0.000 3.051 350 T HA 0.039 4.387 4.350 -0.004 0.000 0.255 350 T C 1.537 176.231 174.700 -0.010 0.000 1.085 350 T CA 1.082 63.184 62.100 0.005 0.000 1.109 350 T CB -0.445 68.429 68.868 0.010 0.000 0.921 350 T HN 0.683 nan 8.240 nan 0.000 0.488 351 T N -2.071 112.476 114.554 -0.012 0.000 3.015 351 T HA 0.594 4.942 4.350 -0.004 0.000 0.250 351 T C 1.156 175.741 174.700 -0.192 0.000 1.057 351 T CA 0.350 62.450 62.100 -0.000 0.000 1.066 351 T CB 0.358 69.293 68.868 0.113 0.000 0.959 351 T HN 0.595 nan 8.240 nan 0.000 0.488 352 G N 0.333 108.847 108.800 -0.476 0.000 2.894 352 G HA2 0.507 4.465 3.960 -0.004 0.000 0.164 352 G HA3 0.507 4.465 3.960 -0.004 0.000 0.164 352 G C -1.583 173.045 174.900 -0.453 0.000 1.180 352 G CA -0.627 43.907 45.100 -0.942 0.000 0.997 352 G HN 0.491 nan 8.290 nan 0.000 0.572 353 W N -0.279 120.751 121.300 -0.450 0.000 2.353 353 W HA 0.764 5.422 4.660 -0.004 0.000 0.377 353 W C -0.487 175.973 176.519 -0.098 0.000 1.375 353 W CA -1.302 55.910 57.345 -0.221 0.000 1.503 353 W CB 0.681 29.979 29.460 -0.269 0.000 1.345 353 W HN 0.258 nan 8.180 nan 0.000 0.683 354 V N 2.818 122.805 119.914 0.122 0.000 2.407 354 V HA 0.721 4.839 4.120 -0.004 0.000 0.278 354 V C 0.738 176.908 176.094 0.126 0.000 1.037 354 V CA 0.369 62.698 62.300 0.048 0.000 0.900 354 V CB 0.077 31.929 31.823 0.049 0.000 0.983 354 V HN 1.288 nan 8.190 nan 0.000 0.459 355 G N 5.138 113.967 108.800 0.048 0.000 2.795 355 G HA2 -0.180 3.778 3.960 -0.004 0.000 0.664 355 G HA3 -0.180 3.778 3.960 -0.004 0.000 0.664 355 G C 0.300 175.286 174.900 0.143 0.000 1.381 355 G CA 0.160 45.315 45.100 0.092 0.000 0.853 355 G HN 0.638 nan 8.290 nan 0.000 0.545 356 R N -0.850 119.720 120.500 0.117 0.000 2.057 356 R HA 0.152 4.490 4.340 -0.004 0.000 0.229 356 R C 1.893 178.129 176.300 -0.108 0.000 1.136 356 R CA 2.097 58.207 56.100 0.017 0.000 0.952 356 R CB -0.083 30.220 30.300 0.004 0.000 0.848 356 R HN 0.460 nan 8.270 nan 0.000 0.430 357 F N -0.802 119.291 119.950 0.239 0.000 2.831 357 F HA 0.267 4.791 4.527 -0.004 0.000 0.334 357 F C 0.126 175.948 175.800 0.037 0.000 1.071 357 F CA -0.459 57.618 58.000 0.128 0.000 1.172 357 F CB 0.792 39.863 39.000 0.119 0.000 1.054 357 F HN -0.100 nan 8.300 nan 0.000 0.572 358 R N -1.617 119.006 120.500 0.205 0.000 2.828 358 R HA 0.384 4.722 4.340 -0.004 0.000 0.280 358 R C -3.387 172.962 176.300 0.081 0.000 1.020 358 R CA -1.811 54.340 56.100 0.085 0.000 0.855 358 R CB -0.006 30.288 30.300 -0.009 0.000 1.278 358 R HN -0.361 nan 8.270 nan 0.000 0.495 359 P HA -0.023 nan 4.420 nan 0.000 0.265 359 P C -0.285 177.027 177.300 0.019 0.000 1.187 359 P CA 0.109 63.221 63.100 0.021 0.000 0.766 359 P CB 0.716 32.406 31.700 -0.017 0.000 0.820 360 S N 1.872 117.597 115.700 0.041 0.000 2.600 360 S HA 0.151 4.619 4.470 -0.004 0.000 0.265 360 S C 0.189 174.796 174.600 0.013 0.000 1.325 360 S CA -0.684 57.555 58.200 0.064 0.000 1.002 360 S CB 0.417 63.680 63.200 0.105 0.000 0.921 360 S HN 0.533 nan 8.310 nan 0.000 0.554 361 E N 1.271 121.492 120.200 0.034 0.000 2.313 361 E HA 0.415 4.762 4.350 -0.004 0.000 0.272 361 E C -2.793 173.756 176.600 -0.086 0.000 1.038 361 E CA -2.194 54.172 56.400 -0.056 0.000 0.863 361 E CB 0.569 30.236 29.700 -0.055 0.000 1.060 361 E HN 0.470 nan 8.360 nan 0.000 0.402 362 P HA 0.252 nan 4.420 nan 0.000 0.284 362 P C -0.805 176.321 177.300 -0.290 0.000 1.258 362 P CA -0.388 62.533 63.100 -0.299 0.000 0.824 362 P CB 0.889 32.074 31.700 -0.859 0.000 1.038 363 H N 1.979 121.053 119.070 0.006 0.000 2.762 363 H HA 0.298 4.851 4.556 -0.004 0.000 0.310 363 H C -0.346 175.097 175.328 0.191 0.000 1.004 363 H CA -0.309 55.839 56.048 0.168 0.000 1.267 363 H CB 0.328 30.218 29.762 0.214 0.000 1.437 363 H HN 0.301 nan 8.280 nan 0.000 0.498 364 F N 1.809 121.940 119.950 0.301 0.000 2.389 364 F HA 0.075 4.599 4.527 -0.004 0.000 0.337 364 F C 1.632 177.625 175.800 0.321 0.000 1.112 364 F CA -0.477 57.712 58.000 0.315 0.000 1.192 364 F CB 0.996 40.116 39.000 0.200 0.000 1.185 364 F HN 0.367 nan 8.300 nan 0.000 0.552 365 T N 0.473 115.329 114.554 0.502 0.000 2.813 365 T HA 0.095 4.443 4.350 -0.004 0.000 0.297 365 T C 1.138 176.034 174.700 0.328 0.000 1.036 365 T CA -0.772 61.563 62.100 0.392 0.000 1.044 365 T CB 0.714 69.799 68.868 0.361 0.000 0.993 365 T HN 0.579 nan 8.240 nan 0.000 0.535 366 L N 1.347 122.716 121.223 0.242 0.000 2.021 366 L HA -0.107 4.231 4.340 -0.004 0.000 0.215 366 L C 2.079 179.059 176.870 0.182 0.000 1.074 366 L CA 2.512 57.467 54.840 0.193 0.000 0.760 366 L CB -1.153 40.994 42.059 0.146 0.000 0.889 366 L HN 0.963 nan 8.230 nan 0.000 0.433 367 D N -1.360 119.148 120.400 0.181 0.000 2.363 367 D HA 0.066 4.704 4.640 -0.004 0.000 0.226 367 D C 1.628 178.035 176.300 0.179 0.000 1.020 367 D CA 0.733 54.828 54.000 0.159 0.000 0.892 367 D CB -0.653 40.230 40.800 0.139 0.000 0.900 367 D HN 0.458 nan 8.370 nan 0.000 0.531 368 G N 0.645 109.588 108.800 0.239 0.000 2.166 368 G HA2 -0.369 3.589 3.960 -0.004 0.000 0.260 368 G HA3 -0.369 3.589 3.960 -0.004 0.000 0.260 368 G C 0.912 176.007 174.900 0.324 0.000 0.986 368 G CA 0.464 45.721 45.100 0.262 0.000 0.683 368 G HN 0.413 nan 8.290 nan 0.000 0.527 369 N N 0.113 118.981 118.700 0.279 0.000 2.336 369 N HA 0.192 4.929 4.740 -0.004 0.000 0.189 369 N C 0.850 176.480 175.510 0.200 0.000 1.113 369 N CA 1.089 54.274 53.050 0.225 0.000 0.858 369 N CB 0.520 39.096 38.487 0.147 0.000 0.970 369 N HN 0.900 nan 8.380 nan 0.000 0.471 370 S N -0.356 115.492 115.700 0.247 0.000 2.596 370 S HA 0.760 5.227 4.470 -0.004 0.000 0.270 370 S C -0.979 173.673 174.600 0.086 0.000 1.155 370 S CA -0.989 57.215 58.200 0.007 0.000 0.827 370 S CB 1.740 64.865 63.200 -0.124 0.000 1.130 370 S HN 0.121 nan 8.310 nan 0.000 0.467 371 F N -1.772 117.976 119.950 -0.337 0.000 2.686 371 F HA 0.838 5.363 4.527 -0.004 0.000 0.311 371 F C -2.219 173.377 175.800 -0.339 0.000 1.128 371 F CA -1.526 56.221 58.000 -0.422 0.000 0.946 371 F CB 0.606 38.939 39.000 -1.112 0.000 1.336 371 F HN 0.602 nan 8.300 nan 0.000 0.457 372 Y N 1.099 121.549 120.300 0.249 0.000 2.429 372 Y HA 0.702 5.250 4.550 -0.004 0.000 0.342 372 Y C -0.297 175.774 175.900 0.286 0.000 1.004 372 Y CA -0.926 57.316 58.100 0.237 0.000 1.075 372 Y CB 2.218 40.773 38.460 0.159 0.000 1.214 372 Y HN 0.754 nan 8.280 nan 0.000 0.455 373 K N 2.798 123.433 120.400 0.390 0.000 2.543 373 K HA 0.535 4.852 4.320 -0.004 0.000 0.255 373 K C -1.758 174.989 176.600 0.245 0.000 0.934 373 K CA -0.522 55.948 56.287 0.305 0.000 0.810 373 K CB 1.569 34.211 32.500 0.237 0.000 1.315 373 K HN 0.727 nan 8.250 nan 0.000 0.433 374 I N 6.395 127.082 120.570 0.193 0.000 2.416 374 I HA 0.276 4.444 4.170 -0.004 0.000 0.288 374 I C 0.177 176.387 176.117 0.156 0.000 1.051 374 I CA -0.329 61.062 61.300 0.152 0.000 1.375 374 I CB 0.340 38.409 38.000 0.115 0.000 1.407 374 I HN 0.510 nan 8.210 nan 0.000 0.516 375 I N 2.415 123.104 120.570 0.198 0.000 3.006 375 I HA 0.504 4.672 4.170 -0.004 0.000 0.306 375 I C -0.191 176.044 176.117 0.198 0.000 1.250 375 I CA -0.838 60.573 61.300 0.185 0.000 0.996 375 I CB 2.273 40.400 38.000 0.213 0.000 1.261 375 I HN 0.491 nan 8.210 nan 0.000 0.442 376 S N 2.268 118.020 115.700 0.087 0.000 2.548 376 S HA 0.357 4.825 4.470 -0.004 0.000 0.277 376 S C -0.121 174.507 174.600 0.047 0.000 1.315 376 S CA -0.643 57.553 58.200 -0.006 0.000 1.050 376 S CB 0.594 63.715 63.200 -0.132 0.000 0.918 376 S HN 0.816 nan 8.310 nan 0.000 0.497 377 N N 1.975 120.589 118.700 -0.144 0.000 2.431 377 N HA 0.188 4.926 4.740 -0.004 0.000 0.289 377 N C 0.604 176.016 175.510 -0.164 0.000 1.277 377 N CA -0.607 52.234 53.050 -0.347 0.000 0.972 377 N CB -0.285 37.597 38.487 -1.008 0.000 1.143 377 N HN 0.738 nan 8.380 nan 0.000 0.578 378 E N -0.637 119.468 120.200 -0.157 0.000 2.160 378 E HA -0.196 4.152 4.350 -0.004 0.000 0.195 378 E C 0.741 177.288 176.600 -0.090 0.000 0.991 378 E CA 1.286 57.633 56.400 -0.088 0.000 0.810 378 E CB -0.110 29.546 29.700 -0.073 0.000 0.742 378 E HN 0.652 nan 8.360 nan 0.000 0.466 379 E N -0.939 119.202 120.200 -0.098 0.000 2.481 379 E HA 0.046 4.393 4.350 -0.004 0.000 0.195 379 E C 1.018 177.596 176.600 -0.037 0.000 1.047 379 E CA 0.331 56.719 56.400 -0.020 0.000 0.867 379 E CB 0.550 30.277 29.700 0.044 0.000 0.858 379 E HN 0.350 nan 8.360 nan 0.000 0.513 380 G N 0.746 109.468 108.800 -0.131 0.000 2.157 380 G HA2 -0.268 3.690 3.960 -0.004 0.000 0.239 380 G HA3 -0.268 3.690 3.960 -0.004 0.000 0.239 380 G C -0.413 174.219 174.900 -0.447 0.000 0.982 380 G CA -0.250 44.668 45.100 -0.304 0.000 0.650 380 G HN 0.210 nan 8.290 nan 0.000 0.527 381 Y N 0.391 120.551 120.300 -0.232 0.000 2.360 381 Y HA 0.656 5.204 4.550 -0.004 0.000 0.337 381 Y C 1.107 176.838 175.900 -0.282 0.000 1.039 381 Y CA -0.969 56.978 58.100 -0.256 0.000 1.109 381 Y CB 1.066 39.379 38.460 -0.245 0.000 1.201 381 Y HN 0.077 nan 8.280 nan 0.000 0.458 382 R N 3.653 124.027 120.500 -0.210 0.000 2.296 382 R HA 0.264 4.602 4.340 -0.004 0.000 0.323 382 R C -0.725 175.294 176.300 -0.469 0.000 1.067 382 R CA -0.028 55.949 56.100 -0.206 0.000 0.946 382 R CB 0.100 30.327 30.300 -0.121 0.000 0.991 382 R HN 0.655 nan 8.270 nan 0.000 0.448 383 H N 1.640 120.668 119.070 -0.070 0.000 2.949 383 H HA 0.359 4.913 4.556 -0.004 0.000 0.356 383 H C -0.141 175.248 175.328 0.102 0.000 1.212 383 H CA -0.941 55.043 56.048 -0.106 0.000 1.136 383 H CB 1.646 31.232 29.762 -0.293 0.000 1.869 383 H HN 0.317 nan 8.280 nan 0.000 0.556 384 I N 1.281 121.940 120.570 0.147 0.000 2.416 384 I HA 0.071 4.238 4.170 -0.004 0.000 0.288 384 I C 0.317 176.498 176.117 0.107 0.000 1.051 384 I CA 0.020 61.381 61.300 0.102 0.000 1.375 384 I CB 0.460 38.432 38.000 -0.047 0.000 1.407 384 I HN 0.128 nan 8.210 nan 0.000 0.516 385 c N 7.070 125.666 118.600 -0.006 0.000 2.382 385 c HA 0.439 5.007 4.570 -0.004 0.000 0.327 385 c C -0.415 173.565 174.090 -0.184 0.000 1.250 385 c CA -0.449 55.651 56.329 -0.382 0.000 1.707 385 c CB 0.940 42.937 42.510 -0.856 0.000 2.272 385 c HN 0.636 nan 8.230 nan 0.000 0.506 386 Y N 4.473 124.471 120.300 -0.504 0.000 2.328 386 Y HA 0.669 5.217 4.550 -0.004 0.000 0.337 386 Y C -1.046 174.434 175.900 -0.700 0.000 1.008 386 Y CA -1.038 56.714 58.100 -0.580 0.000 1.129 386 Y CB 0.353 38.558 38.460 -0.425 0.000 1.185 386 Y HN 0.635 nan 8.280 nan 0.000 0.476 387 F N 3.889 123.070 119.950 -1.282 0.000 2.508 387 F HA 0.424 4.949 4.527 -0.004 0.000 0.325 387 F C -0.139 174.898 175.800 -1.271 0.000 1.090 387 F CA -1.083 56.133 58.000 -1.306 0.000 0.945 387 F CB 1.726 39.604 39.000 -1.870 0.000 1.156 387 F HN 0.304 nan 8.300 nan 0.000 0.463 388 Q N 2.348 121.804 119.800 -0.573 0.000 2.241 388 Q HA 0.329 4.667 4.340 -0.004 0.000 0.254 388 Q C 0.941 176.891 176.000 -0.083 0.000 0.917 388 Q CA -0.206 55.393 55.803 -0.339 0.000 0.919 388 Q CB 1.423 30.033 28.738 -0.214 0.000 1.237 388 Q HN 0.706 nan 8.270 nan 0.000 0.434 389 I N -0.480 120.137 120.570 0.079 0.000 2.454 389 I HA -0.112 4.055 4.170 -0.004 0.000 0.254 389 I C 0.386 176.705 176.117 0.337 0.000 1.156 389 I CA 1.426 62.925 61.300 0.331 0.000 1.433 389 I CB -0.056 38.166 38.000 0.370 0.000 1.082 389 I HN 0.460 nan 8.210 nan 0.000 0.432 390 D N 0.816 121.313 120.400 0.162 0.000 2.559 390 D HA 0.240 4.877 4.640 -0.004 0.000 0.234 390 D C -0.201 176.122 176.300 0.038 0.000 1.226 390 D CA -0.358 53.692 54.000 0.083 0.000 0.830 390 D CB 0.000 40.830 40.800 0.049 0.000 1.028 390 D HN 0.396 nan 8.370 nan 0.000 0.492 391 K N 0.278 120.724 120.400 0.078 0.000 2.443 391 K HA 0.298 4.615 4.320 -0.004 0.000 0.252 391 K C 0.498 177.149 176.600 0.085 0.000 0.933 391 K CA -0.878 55.422 56.287 0.023 0.000 0.792 391 K CB 2.258 34.738 32.500 -0.034 0.000 1.185 391 K HN -0.315 nan 8.250 nan 0.000 0.425 392 K N 0.568 120.977 120.400 0.016 0.000 2.228 392 K HA 0.038 4.355 4.320 -0.004 0.000 0.202 392 K C -0.062 176.563 176.600 0.042 0.000 1.051 392 K CA 1.015 57.334 56.287 0.055 0.000 0.960 392 K CB 0.117 32.607 32.500 -0.016 0.000 0.743 392 K HN 0.567 nan 8.250 nan 0.000 0.458 393 D N 1.281 121.643 120.400 -0.064 0.000 2.249 393 D HA 0.078 4.716 4.640 -0.004 0.000 0.246 393 D C 0.406 176.499 176.300 -0.344 0.000 1.114 393 D CA -0.259 53.641 54.000 -0.167 0.000 0.854 393 D CB 1.229 41.951 40.800 -0.130 0.000 1.132 393 D HN 0.154 nan 8.370 nan 0.000 0.461 394 c N 0.694 118.923 118.600 -0.618 0.000 2.354 394 c HA 0.813 5.380 4.570 -0.004 0.000 0.381 394 c C 0.275 173.969 174.090 -0.660 0.000 1.240 394 c CA -0.559 55.194 56.329 -0.960 0.000 2.089 394 c CB 1.024 42.302 42.510 -2.053 0.000 2.234 394 c HN 0.477 nan 8.230 nan 0.000 0.544 395 T N 1.521 115.728 114.554 -0.579 0.000 2.809 395 T HA 0.479 4.827 4.350 -0.004 0.000 0.284 395 T C -0.779 173.713 174.700 -0.346 0.000 0.992 395 T CA 0.146 62.057 62.100 -0.314 0.000 0.957 395 T CB 0.435 69.262 68.868 -0.069 0.000 0.942 395 T HN 0.474 nan 8.240 nan 0.000 0.439 396 F N 3.324 123.164 119.950 -0.183 0.000 2.495 396 F HA 0.268 4.793 4.527 -0.004 0.000 0.365 396 F C 1.621 177.274 175.800 -0.245 0.000 1.090 396 F CA -0.915 56.966 58.000 -0.199 0.000 1.235 396 F CB 0.470 39.351 39.000 -0.199 0.000 1.119 396 F HN 0.580 nan 8.300 nan 0.000 0.562 397 I N -0.555 119.933 120.570 -0.138 0.000 4.057 397 I HA 0.239 4.407 4.170 -0.004 0.000 0.334 397 I C 0.164 176.124 176.117 -0.262 0.000 1.308 397 I CA 0.103 61.135 61.300 -0.447 0.000 1.125 397 I CB 0.040 37.503 38.000 -0.896 0.000 1.034 397 I HN 0.486 nan 8.210 nan 0.000 0.401 398 T N 0.119 114.576 114.554 -0.161 0.000 2.896 398 T HA 0.712 5.060 4.350 -0.004 0.000 0.297 398 T C -0.704 173.637 174.700 -0.598 0.000 1.108 398 T CA -0.677 61.314 62.100 -0.182 0.000 1.004 398 T CB 2.735 71.581 68.868 -0.038 0.000 1.159 398 T HN 0.498 nan 8.240 nan 0.000 0.499 399 K N -0.197 119.675 120.400 -0.880 0.000 2.615 399 K HA 0.799 5.117 4.320 -0.004 0.000 0.291 399 K C -0.444 175.485 176.600 -1.118 0.000 1.017 399 K CA -0.853 54.557 56.287 -1.461 0.000 0.882 399 K CB 1.307 33.363 32.500 -0.740 0.000 1.522 399 K HN 1.617 nan 8.250 nan 0.000 0.412 400 G N -0.143 108.047 108.800 -1.015 0.000 2.351 400 G HA2 0.099 4.057 3.960 -0.004 0.000 0.353 400 G HA3 0.099 4.057 3.960 -0.004 0.000 0.353 400 G C -0.839 173.518 174.900 -0.905 0.000 1.358 400 G CA -0.366 44.316 45.100 -0.697 0.000 0.995 400 G HN 1.040 nan 8.290 nan 0.000 0.611 401 T N -0.497 113.674 114.554 -0.640 0.000 3.855 401 T HA 0.583 4.931 4.350 -0.004 0.000 0.306 401 T C 0.165 174.644 174.700 -0.368 0.000 1.575 401 T CA 0.485 62.008 62.100 -0.963 0.000 1.214 401 T CB -0.906 67.661 68.868 -0.502 0.000 1.262 401 T HN 1.546 nan 8.240 nan 0.000 0.883 402 W N -0.263 120.845 121.300 -0.320 0.000 2.926 402 W HA 0.626 5.284 4.660 -0.004 0.000 0.361 402 W C -1.520 174.988 176.519 -0.018 0.000 1.195 402 W CA -0.958 56.363 57.345 -0.040 0.000 1.177 402 W CB 0.564 29.992 29.460 -0.053 0.000 1.453 402 W HN 0.208 nan 8.180 nan 0.000 0.571 403 E N 0.619 121.005 120.200 0.309 0.000 2.369 403 E HA 0.486 4.834 4.350 -0.004 0.000 0.270 403 E C -1.260 175.444 176.600 0.174 0.000 0.909 403 E CA -1.177 55.205 56.400 -0.030 0.000 0.775 403 E CB 3.342 33.062 29.700 0.033 0.000 1.270 403 E HN 0.153 nan 8.360 nan 0.000 0.445 404 V N 3.183 123.063 119.914 -0.056 0.000 2.498 404 V HA 0.041 4.159 4.120 -0.004 0.000 0.279 404 V C 1.073 177.243 176.094 0.127 0.000 1.048 404 V CA -0.100 62.259 62.300 0.098 0.000 0.967 404 V CB 0.800 32.579 31.823 -0.074 0.000 0.988 404 V HN 0.667 nan 8.190 nan 0.000 0.473 405 I N 3.038 123.714 120.570 0.175 0.000 2.429 405 I HA 0.275 4.442 4.170 -0.004 0.000 0.247 405 I C 1.107 177.330 176.117 0.176 0.000 1.099 405 I CA 1.160 62.557 61.300 0.163 0.000 1.422 405 I CB -0.725 37.317 38.000 0.071 0.000 1.112 405 I HN 0.739 nan 8.210 nan 0.000 0.430 406 G N 0.608 109.515 108.800 0.178 0.000 2.632 406 G HA2 0.563 4.521 3.960 -0.004 0.000 0.292 406 G HA3 0.563 4.521 3.960 -0.004 0.000 0.292 406 G C -1.331 173.660 174.900 0.152 0.000 1.465 406 G CA -0.523 44.680 45.100 0.171 0.000 0.824 406 G HN -0.046 nan 8.290 nan 0.000 0.509 407 I N 1.391 121.989 120.570 0.048 0.000 2.342 407 I HA 0.272 4.439 4.170 -0.004 0.000 0.291 407 I C 0.632 176.701 176.117 -0.080 0.000 1.010 407 I CA -0.606 60.625 61.300 -0.115 0.000 1.308 407 I CB 1.872 39.537 38.000 -0.558 0.000 1.400 407 I HN 0.500 nan 8.210 nan 0.000 0.488 408 E N 4.802 125.017 120.200 0.024 0.000 2.340 408 E HA 0.337 4.685 4.350 -0.004 0.000 0.198 408 E C 0.092 176.651 176.600 -0.069 0.000 0.961 408 E CA 0.202 56.654 56.400 0.087 0.000 0.905 408 E CB 0.866 30.714 29.700 0.247 0.000 0.884 408 E HN 0.670 nan 8.360 nan 0.000 0.491 409 A N 0.561 123.254 122.820 -0.213 0.000 2.599 409 A HA 0.592 4.909 4.320 -0.004 0.000 0.294 409 A C -2.030 175.480 177.584 -0.124 0.000 1.055 409 A CA -0.664 51.165 52.037 -0.346 0.000 0.683 409 A CB 1.169 19.476 19.000 -1.154 0.000 1.278 409 A HN 0.039 nan 8.150 nan 0.000 0.412 410 L N 1.494 122.685 121.223 -0.054 0.000 2.439 410 L HA 0.800 5.138 4.340 -0.004 0.000 0.270 410 L C 0.156 177.054 176.870 0.046 0.000 0.972 410 L CA 0.495 55.340 54.840 0.009 0.000 0.836 410 L CB 2.040 44.133 42.059 0.057 0.000 1.255 410 L HN 1.218 nan 8.230 nan 0.000 0.404 411 T N -0.223 114.376 114.554 0.076 0.000 2.905 411 T HA 0.419 4.766 4.350 -0.004 0.000 0.283 411 T C 1.095 175.835 174.700 0.066 0.000 1.031 411 T CA 0.054 62.207 62.100 0.088 0.000 1.002 411 T CB 1.225 70.183 68.868 0.151 0.000 1.200 411 T HN 0.656 nan 8.240 nan 0.000 0.560 412 S N -0.344 115.393 115.700 0.062 0.000 2.442 412 S HA -0.086 4.381 4.470 -0.004 0.000 0.236 412 S C 0.850 175.432 174.600 -0.029 0.000 1.007 412 S CA 1.091 59.314 58.200 0.039 0.000 0.965 412 S CB -0.474 62.751 63.200 0.041 0.000 0.773 412 S HN 0.739 nan 8.310 nan 0.000 0.504 413 D N -0.922 119.439 120.400 -0.065 0.000 2.454 413 D HA 0.276 4.914 4.640 -0.004 0.000 0.219 413 D C -0.626 175.322 176.300 -0.587 0.000 1.081 413 D CA 0.361 54.181 54.000 -0.299 0.000 0.867 413 D CB 0.413 41.015 40.800 -0.329 0.000 1.054 413 D HN 0.435 nan 8.370 nan 0.000 0.500 414 Y N 0.049 120.287 120.300 -0.104 0.000 2.524 414 Y HA 0.463 5.011 4.550 -0.004 0.000 0.347 414 Y C -0.625 175.095 175.900 -0.301 0.000 1.005 414 Y CA -1.009 56.940 58.100 -0.251 0.000 1.025 414 Y CB 2.564 40.764 38.460 -0.433 0.000 1.275 414 Y HN -0.281 nan 8.280 nan 0.000 0.460 415 L N 3.018 124.118 121.223 -0.205 0.000 2.341 415 L HA 0.623 4.961 4.340 -0.004 0.000 0.278 415 L C -1.834 174.904 176.870 -0.219 0.000 1.005 415 L CA -0.645 54.066 54.840 -0.215 0.000 0.818 415 L CB 0.934 42.776 42.059 -0.361 0.000 1.259 415 L HN 0.612 nan 8.230 nan 0.000 0.418 416 Y N 4.673 124.908 120.300 -0.108 0.000 2.341 416 Y HA 0.551 5.099 4.550 -0.004 0.000 0.337 416 Y C -0.473 175.442 175.900 0.026 0.000 1.014 416 Y CA -0.469 57.575 58.100 -0.094 0.000 1.111 416 Y CB 1.371 39.711 38.460 -0.201 0.000 1.194 416 Y HN 0.524 nan 8.280 nan 0.000 0.462 417 Y N 0.752 121.121 120.300 0.115 0.000 2.625 417 Y HA 0.803 5.351 4.550 -0.004 0.000 0.338 417 Y C -1.844 174.143 175.900 0.146 0.000 1.123 417 Y CA -1.807 56.347 58.100 0.091 0.000 1.046 417 Y CB 1.174 39.659 38.460 0.043 0.000 1.299 417 Y HN 0.306 nan 8.280 nan 0.000 0.464 418 I N 3.096 123.846 120.570 0.299 0.000 2.441 418 I HA 0.621 4.789 4.170 -0.004 0.000 0.295 418 I C -0.169 176.132 176.117 0.307 0.000 0.994 418 I CA -0.292 61.127 61.300 0.198 0.000 1.144 418 I CB 1.579 39.643 38.000 0.107 0.000 1.314 418 I HN 0.914 nan 8.210 nan 0.000 0.445 419 S N 3.826 119.674 115.700 0.247 0.000 2.671 419 S HA 0.463 4.931 4.470 -0.004 0.000 0.277 419 S C -0.447 174.201 174.600 0.081 0.000 1.165 419 S CA -0.795 57.530 58.200 0.209 0.000 0.822 419 S CB 1.916 65.265 63.200 0.248 0.000 1.150 419 S HN 0.580 nan 8.310 nan 0.000 0.479 420 N N -0.386 118.357 118.700 0.072 0.000 2.380 420 N HA 0.161 4.898 4.740 -0.004 0.000 0.255 420 N C 0.511 175.992 175.510 -0.048 0.000 1.158 420 N CA -0.308 52.743 53.050 0.002 0.000 0.878 420 N CB 0.321 38.797 38.487 -0.018 0.000 1.138 420 N HN 0.815 nan 8.380 nan 0.000 0.509 421 E N -0.086 119.939 120.200 -0.291 0.000 2.072 421 E HA -0.193 4.154 4.350 -0.004 0.000 0.191 421 E C -0.342 176.101 176.600 -0.262 0.000 0.985 421 E CA 0.225 56.212 56.400 -0.688 0.000 0.801 421 E CB -0.077 28.597 29.700 -1.710 0.000 0.750 421 E HN 0.402 nan 8.360 nan 0.000 0.452 422 Y N 2.200 122.395 120.300 -0.176 0.000 2.881 422 Y HA -0.168 4.380 4.550 -0.004 0.000 0.335 422 Y C 0.410 176.266 175.900 -0.073 0.000 1.263 422 Y CA 0.972 59.024 58.100 -0.081 0.000 1.572 422 Y CB 0.064 38.509 38.460 -0.026 0.000 1.237 422 Y HN 0.089 nan 8.280 nan 0.000 0.568 423 K N 3.470 123.562 120.400 -0.512 0.000 3.104 423 K HA -0.262 4.056 4.320 -0.004 0.000 0.285 423 K C 0.889 177.401 176.600 -0.146 0.000 1.136 423 K CA 0.809 56.856 56.287 -0.400 0.000 0.842 423 K CB -1.835 30.363 32.500 -0.503 0.000 1.217 423 K HN 1.284 nan 8.250 nan 0.000 0.467 424 G N 0.660 109.395 108.800 -0.108 0.000 2.258 424 G HA2 -0.333 3.624 3.960 -0.004 0.000 0.274 424 G HA3 -0.333 3.624 3.960 -0.004 0.000 0.274 424 G C 0.040 174.912 174.900 -0.047 0.000 1.021 424 G CA 0.864 45.947 45.100 -0.027 0.000 0.798 424 G HN 0.356 nan 8.290 nan 0.000 0.507 425 M N 0.967 120.471 119.600 -0.159 0.000 2.111 425 M HA 0.226 4.704 4.480 -0.004 0.000 0.351 425 M C -0.840 175.214 176.300 -0.411 0.000 1.214 425 M CA -1.986 53.057 55.300 -0.427 0.000 1.120 425 M CB 1.500 33.933 32.600 -0.279 0.000 1.443 425 M HN -0.058 nan 8.290 nan 0.000 0.429 426 P HA -0.094 nan 4.420 nan 0.000 0.225 426 P C 0.996 178.153 177.300 -0.238 0.000 1.148 426 P CA 1.192 64.116 63.100 -0.293 0.000 0.779 426 P CB 0.132 31.673 31.700 -0.266 0.000 0.780 427 G N -0.665 107.933 108.800 -0.337 0.000 3.141 427 G HA2 0.297 4.255 3.960 -0.004 0.000 0.218 427 G HA3 0.297 4.255 3.960 -0.004 0.000 0.218 427 G C 0.673 175.566 174.900 -0.012 0.000 1.170 427 G CA 0.097 45.124 45.100 -0.121 0.000 0.769 427 G HN 0.430 nan 8.290 nan 0.000 0.546 428 G N -0.171 108.562 108.800 -0.112 0.000 2.471 428 G HA2 0.649 4.607 3.960 -0.004 0.000 0.332 428 G HA3 0.649 4.607 3.960 -0.004 0.000 0.332 428 G C -0.844 173.907 174.900 -0.249 0.000 1.176 428 G CA -0.777 44.274 45.100 -0.081 0.000 0.949 428 G HN 0.083 nan 8.290 nan 0.000 0.488 429 R N 1.091 121.398 120.500 -0.322 0.000 2.533 429 R HA 0.427 4.764 4.340 -0.004 0.000 0.288 429 R C -1.261 174.997 176.300 -0.069 0.000 1.039 429 R CA -0.802 55.108 56.100 -0.318 0.000 0.909 429 R CB 2.075 31.954 30.300 -0.702 0.000 1.195 429 R HN 0.587 nan 8.270 nan 0.000 0.438 430 N N 1.505 120.196 118.700 -0.015 0.000 2.357 430 N HA 0.376 5.114 4.740 -0.004 0.000 0.284 430 N C -1.279 174.113 175.510 -0.196 0.000 1.236 430 N CA -0.829 52.140 53.050 -0.135 0.000 0.774 430 N CB 2.682 40.979 38.487 -0.316 0.000 1.534 430 N HN 0.254 nan 8.380 nan 0.000 0.478 431 L N 1.892 122.840 121.223 -0.458 0.000 2.289 431 L HA 0.493 4.830 4.340 -0.004 0.000 0.285 431 L C -1.431 175.049 176.870 -0.650 0.000 1.049 431 L CA -0.057 54.544 54.840 -0.397 0.000 0.804 431 L CB 0.066 41.887 42.059 -0.397 0.000 1.195 431 L HN 0.409 nan 8.230 nan 0.000 0.428 432 Y N 3.318 123.275 120.300 -0.572 0.000 2.570 432 Y HA 0.590 5.138 4.550 -0.004 0.000 0.345 432 Y C -0.433 175.123 175.900 -0.574 0.000 1.014 432 Y CA -0.880 56.823 58.100 -0.662 0.000 1.063 432 Y CB 1.717 39.560 38.460 -1.027 0.000 1.272 432 Y HN 0.507 nan 8.280 nan 0.000 0.477 433 K N 2.728 122.965 120.400 -0.272 0.000 2.426 433 K HA 0.663 4.981 4.320 -0.004 0.000 0.254 433 K C -1.924 174.608 176.600 -0.114 0.000 0.936 433 K CA -0.521 55.538 56.287 -0.379 0.000 0.801 433 K CB 1.442 33.632 32.500 -0.516 0.000 1.139 433 K HN 0.788 nan 8.250 nan 0.000 0.424 434 I N 3.226 123.790 120.570 -0.011 0.000 2.433 434 I HA 0.230 4.398 4.170 -0.004 0.000 0.292 434 I C -0.751 175.453 176.117 0.145 0.000 1.001 434 I CA -0.713 60.663 61.300 0.127 0.000 1.119 434 I CB 1.778 39.883 38.000 0.176 0.000 1.289 434 I HN 0.755 nan 8.210 nan 0.000 0.438 435 Q N 6.269 126.154 119.800 0.142 0.000 2.296 435 Q HA 0.194 4.532 4.340 -0.004 0.000 0.263 435 Q C 0.304 176.243 176.000 -0.102 0.000 1.026 435 Q CA -0.201 55.532 55.803 -0.117 0.000 0.912 435 Q CB 1.132 29.835 28.738 -0.059 0.000 1.198 435 Q HN 0.831 nan 8.270 nan 0.000 0.407 436 L N 2.493 123.583 121.223 -0.222 0.000 2.191 436 L HA -0.162 4.176 4.340 -0.004 0.000 0.212 436 L C 2.103 178.856 176.870 -0.195 0.000 1.103 436 L CA 1.277 56.063 54.840 -0.090 0.000 0.769 436 L CB -0.324 41.658 42.059 -0.127 0.000 0.908 436 L HN 0.663 nan 8.230 nan 0.000 0.438 437 S N -2.707 112.847 115.700 -0.244 0.000 2.558 437 S HA -0.008 4.460 4.470 -0.004 0.000 0.217 437 S C 0.460 174.895 174.600 -0.276 0.000 0.975 437 S CA -0.092 57.959 58.200 -0.248 0.000 0.912 437 S CB 0.109 63.197 63.200 -0.187 0.000 0.776 437 S HN 0.336 nan 8.310 nan 0.000 0.526 438 D N -0.078 120.171 120.400 -0.251 0.000 2.445 438 D HA 0.199 4.837 4.640 -0.004 0.000 0.236 438 D C -0.373 175.903 176.300 -0.040 0.000 1.315 438 D CA -0.520 53.369 54.000 -0.184 0.000 0.924 438 D CB 0.016 40.759 40.800 -0.095 0.000 1.447 438 D HN -0.045 nan 8.370 nan 0.000 0.532 439 Y N 0.702 120.982 120.300 -0.034 0.000 2.384 439 Y HA -0.150 4.398 4.550 -0.004 0.000 0.289 439 Y C 2.608 178.515 175.900 0.011 0.000 1.152 439 Y CA 1.625 59.718 58.100 -0.012 0.000 1.258 439 Y CB -1.038 37.416 38.460 -0.011 0.000 0.979 439 Y HN 0.423 nan 8.280 nan 0.000 0.549 440 T N -2.770 111.868 114.554 0.139 0.000 3.118 440 T HA -0.017 4.330 4.350 -0.004 0.000 0.260 440 T C 0.646 175.397 174.700 0.085 0.000 1.139 440 T CA 0.216 62.373 62.100 0.096 0.000 1.085 440 T CB -0.101 68.798 68.868 0.053 0.000 0.934 440 T HN -0.144 nan 8.240 nan 0.000 0.518 441 K N 2.371 122.826 120.400 0.091 0.000 2.244 441 K HA 0.520 4.838 4.320 -0.004 0.000 0.263 441 K C -1.175 175.492 176.600 0.111 0.000 1.103 441 K CA -0.367 55.972 56.287 0.086 0.000 0.966 441 K CB 1.248 33.792 32.500 0.074 0.000 1.429 441 K HN 0.165 nan 8.250 nan 0.000 0.434 442 V N 2.469 122.445 119.914 0.103 0.000 2.487 442 V HA 0.342 4.460 4.120 -0.004 0.000 0.298 442 V C -0.126 176.016 176.094 0.079 0.000 1.028 442 V CA -0.682 61.688 62.300 0.117 0.000 0.860 442 V CB 2.044 33.962 31.823 0.159 0.000 0.991 442 V HN 0.555 nan 8.190 nan 0.000 0.427 443 T N 3.425 117.993 114.554 0.024 0.000 2.807 443 T HA 0.258 4.606 4.350 -0.004 0.000 0.279 443 T C -0.379 174.230 174.700 -0.151 0.000 0.993 443 T CA -0.272 61.795 62.100 -0.053 0.000 0.970 443 T CB 1.292 70.096 68.868 -0.106 0.000 0.950 443 T HN 0.768 nan 8.240 nan 0.000 0.441 444 C N 5.363 124.512 119.300 -0.252 0.000 2.394 444 C HA 0.418 4.876 4.460 -0.004 0.000 0.362 444 C C 1.685 176.350 174.990 -0.541 0.000 1.268 444 C CA -0.593 58.010 59.018 -0.691 0.000 1.828 444 C CB -1.854 25.415 27.740 -0.784 0.000 2.442 444 C HN 0.998 nan 8.230 nan 0.000 0.549 445 L N 4.616 125.489 121.223 -0.584 0.000 2.418 445 L HA 0.064 4.402 4.340 -0.004 0.000 0.218 445 L C 2.153 178.710 176.870 -0.521 0.000 1.125 445 L CA 1.072 55.648 54.840 -0.440 0.000 0.835 445 L CB -0.198 41.635 42.059 -0.376 0.000 0.953 445 L HN 0.906 nan 8.230 nan 0.000 0.454 446 S N -3.475 111.805 115.700 -0.700 0.000 2.589 446 S HA -0.006 4.462 4.470 -0.004 0.000 0.235 446 S C 1.809 176.023 174.600 -0.644 0.000 1.051 446 S CA -0.150 57.549 58.200 -0.836 0.000 0.978 446 S CB -0.311 62.004 63.200 -1.475 0.000 0.929 446 S HN 0.284 nan 8.310 nan 0.000 0.523 447 C N 2.773 121.666 119.300 -0.679 0.000 2.385 447 C HA -0.033 4.425 4.460 -0.004 0.000 0.275 447 C C 2.218 176.904 174.990 -0.507 0.000 1.207 447 C CA 1.124 59.660 59.018 -0.805 0.000 1.760 447 C CB -0.867 26.193 27.740 -1.132 0.000 2.051 447 C HN 0.598 nan 8.230 nan 0.000 0.467 448 E N 0.412 120.417 120.200 -0.326 0.000 2.444 448 E HA 0.185 4.533 4.350 -0.004 0.000 0.191 448 E C 1.809 178.353 176.600 -0.092 0.000 1.041 448 E CA -0.035 56.276 56.400 -0.149 0.000 0.883 448 E CB -0.273 29.366 29.700 -0.102 0.000 1.024 448 E HN 0.657 nan 8.360 nan 0.000 0.470 449 L N 0.478 121.638 121.223 -0.105 0.000 2.017 449 L HA -0.088 4.250 4.340 -0.004 0.000 0.208 449 L C 1.050 177.924 176.870 0.007 0.000 1.073 449 L CA 1.016 55.833 54.840 -0.038 0.000 0.745 449 L CB -0.045 42.002 42.059 -0.019 0.000 0.894 449 L HN 0.063 nan 8.230 nan 0.000 0.432 450 N N -1.450 117.269 118.700 0.031 0.000 2.946 450 N HA 0.077 4.815 4.740 -0.004 0.000 0.213 450 N C -2.089 173.440 175.510 0.032 0.000 1.440 450 N CA -0.886 52.179 53.050 0.024 0.000 0.745 450 N CB 0.813 39.310 38.487 0.017 0.000 1.471 450 N HN -0.176 nan 8.380 nan 0.000 0.569 451 P HA -0.159 nan 4.420 nan 0.000 0.217 451 P C 0.622 177.966 177.300 0.073 0.000 1.148 451 P CA 1.346 64.494 63.100 0.080 0.000 0.828 451 P CB 0.670 32.437 31.700 0.113 0.000 0.783 452 E N -0.297 119.927 120.200 0.040 0.000 2.076 452 E HA -0.094 4.253 4.350 -0.004 0.000 0.190 452 E C 2.399 179.000 176.600 0.001 0.000 0.979 452 E CA 0.532 56.947 56.400 0.025 0.000 0.807 452 E CB -0.203 29.506 29.700 0.015 0.000 0.761 452 E HN 0.243 nan 8.360 nan 0.000 0.454 453 R N 0.157 120.645 120.500 -0.020 0.000 2.173 453 R HA 0.071 4.408 4.340 -0.004 0.000 0.208 453 R C -0.067 176.178 176.300 -0.092 0.000 1.035 453 R CA 0.488 56.553 56.100 -0.059 0.000 1.004 453 R CB 0.440 30.697 30.300 -0.072 0.000 0.917 453 R HN 0.046 nan 8.270 nan 0.000 0.462 454 c N 1.169 119.719 118.600 -0.083 0.000 2.344 454 c HA 0.408 4.976 4.570 -0.004 0.000 0.326 454 c C -0.090 173.925 174.090 -0.124 0.000 1.201 454 c CA -0.697 55.511 56.329 -0.202 0.000 1.410 454 c CB 1.350 43.696 42.510 -0.273 0.000 2.070 454 c HN 0.520 nan 8.230 nan 0.000 0.445 455 Q N 0.532 120.258 119.800 -0.123 0.000 2.103 455 Q HA 0.186 4.524 4.340 -0.004 0.000 0.219 455 Q C -0.956 175.057 176.000 0.021 0.000 0.784 455 Q CA 0.019 55.834 55.803 0.020 0.000 1.014 455 Q CB 1.335 30.130 28.738 0.095 0.000 1.183 455 Q HN 0.782 nan 8.270 nan 0.000 0.469 456 Y N 0.555 120.694 120.300 -0.269 0.000 2.445 456 Y HA 0.367 4.914 4.550 -0.004 0.000 0.332 456 Y C -1.591 174.134 175.900 -0.293 0.000 1.037 456 Y CA -1.089 56.901 58.100 -0.183 0.000 1.296 456 Y CB 0.690 39.069 38.460 -0.135 0.000 1.099 456 Y HN -0.058 nan 8.280 nan 0.000 0.496 457 Y N 2.046 122.297 120.300 -0.081 0.000 2.487 457 Y HA 0.671 5.218 4.550 -0.004 0.000 0.337 457 Y C 0.288 176.153 175.900 -0.058 0.000 1.076 457 Y CA -0.585 57.474 58.100 -0.069 0.000 1.115 457 Y CB 2.186 40.564 38.460 -0.137 0.000 1.235 457 Y HN 0.489 nan 8.280 nan 0.000 0.468 458 S N 0.791 116.594 115.700 0.172 0.000 2.632 458 S HA 0.870 5.338 4.470 -0.004 0.000 0.289 458 S C -1.577 173.090 174.600 0.110 0.000 1.115 458 S CA -0.775 57.502 58.200 0.128 0.000 0.889 458 S CB 1.849 65.136 63.200 0.146 0.000 1.116 458 S HN 0.624 nan 8.310 nan 0.000 0.486 459 V N 0.275 120.244 119.914 0.092 0.000 3.078 459 V HA 0.882 5.000 4.120 -0.004 0.000 0.311 459 V C -1.231 174.918 176.094 0.092 0.000 1.138 459 V CA -0.293 62.024 62.300 0.027 0.000 1.007 459 V CB 2.330 34.080 31.823 -0.123 0.000 1.045 459 V HN 1.201 nan 8.190 nan 0.000 0.432 460 S N 4.331 120.072 115.700 0.067 0.000 2.789 460 S HA 0.648 5.115 4.470 -0.004 0.000 0.286 460 S C -1.209 173.515 174.600 0.207 0.000 1.153 460 S CA -0.395 57.947 58.200 0.236 0.000 1.084 460 S CB 0.352 63.751 63.200 0.332 0.000 1.036 460 S HN 0.500 nan 8.310 nan 0.000 0.484 461 F N 3.063 123.064 119.950 0.086 0.000 2.371 461 F HA 0.453 4.978 4.527 -0.004 0.000 0.329 461 F C 1.471 176.861 175.800 -0.683 0.000 1.107 461 F CA -0.201 57.685 58.000 -0.190 0.000 1.137 461 F CB 1.352 40.217 39.000 -0.226 0.000 1.214 461 F HN 0.638 nan 8.300 nan 0.000 0.536 462 S N 1.890 116.985 115.700 -1.009 0.000 2.626 462 S HA 0.169 4.636 4.470 -0.004 0.000 0.257 462 S C 1.259 175.583 174.600 -0.461 0.000 1.288 462 S CA -0.769 56.532 58.200 -1.499 0.000 0.980 462 S CB 0.690 63.056 63.200 -1.389 0.000 0.975 462 S HN 0.529 nan 8.310 nan 0.000 0.577 463 K N 0.857 121.123 120.400 -0.223 0.000 2.059 463 K HA -0.086 4.232 4.320 -0.004 0.000 0.212 463 K C 1.053 177.612 176.600 -0.068 0.000 1.050 463 K CA 1.587 57.839 56.287 -0.058 0.000 0.927 463 K CB -0.491 32.018 32.500 0.015 0.000 0.714 463 K HN 0.669 nan 8.250 nan 0.000 0.447 464 E N -0.874 119.256 120.200 -0.116 0.000 2.569 464 E HA 0.250 4.598 4.350 -0.004 0.000 0.205 464 E C 0.016 176.543 176.600 -0.121 0.000 1.006 464 E CA 0.096 56.443 56.400 -0.088 0.000 0.985 464 E CB 0.571 30.228 29.700 -0.072 0.000 1.060 464 E HN 0.233 nan 8.360 nan 0.000 0.460 465 A N 1.227 123.956 122.820 -0.153 0.000 2.860 465 A HA -0.316 4.002 4.320 -0.004 0.000 0.267 465 A C 1.517 179.041 177.584 -0.099 0.000 1.421 465 A CA 1.611 53.576 52.037 -0.120 0.000 0.831 465 A CB -2.105 16.708 19.000 -0.312 0.000 1.041 465 A HN 0.275 nan 8.150 nan 0.000 0.623 466 K N -1.829 118.437 120.400 -0.224 0.000 2.217 466 K HA 0.064 4.381 4.320 -0.004 0.000 0.202 466 K C 0.109 176.313 176.600 -0.660 0.000 1.051 466 K CA 1.529 57.567 56.287 -0.415 0.000 0.952 466 K CB -0.032 32.170 32.500 -0.497 0.000 0.736 466 K HN 0.693 nan 8.250 nan 0.000 0.453 467 Y N -1.209 119.004 120.300 -0.145 0.000 2.609 467 Y HA 0.323 4.871 4.550 -0.003 0.000 0.342 467 Y C -1.005 174.828 175.900 -0.113 0.000 1.058 467 Y CA -1.374 56.652 58.100 -0.122 0.000 1.055 467 Y CB 1.653 40.064 38.460 -0.083 0.000 1.292 467 Y HN -0.044 nan 8.280 nan 0.000 0.476 468 Y N -1.114 119.172 120.300 -0.024 0.000 2.513 468 Y HA 0.530 5.078 4.550 -0.004 0.000 0.340 468 Y C -1.237 174.668 175.900 0.009 0.000 1.055 468 Y CA -1.451 56.478 58.100 -0.285 0.000 1.020 468 Y CB 1.504 39.298 38.460 -1.110 0.000 1.301 468 Y HN 0.593 nan 8.280 nan 0.000 0.453 469 Q N 3.856 123.778 119.800 0.203 0.000 2.290 469 Q HA 0.554 4.892 4.340 -0.004 0.000 0.259 469 Q C -1.740 174.344 176.000 0.141 0.000 0.941 469 Q CA -0.673 55.220 55.803 0.149 0.000 0.912 469 Q CB 1.291 30.093 28.738 0.107 0.000 1.244 469 Q HN 0.965 nan 8.270 nan 0.000 0.441 470 L N 4.283 125.608 121.223 0.170 0.000 2.307 470 L HA 0.530 4.868 4.340 -0.004 0.000 0.282 470 L C -0.203 176.732 176.870 0.109 0.000 1.051 470 L CA -0.555 54.366 54.840 0.135 0.000 0.804 470 L CB 1.318 43.432 42.059 0.092 0.000 1.197 470 L HN 0.605 nan 8.230 nan 0.000 0.431 471 R N 2.407 122.957 120.500 0.085 0.000 2.358 471 R HA 0.293 4.631 4.340 -0.004 0.000 0.309 471 R C -1.032 175.147 176.300 -0.201 0.000 1.026 471 R CA -0.511 55.482 56.100 -0.178 0.000 0.909 471 R CB 1.534 31.792 30.300 -0.070 0.000 1.153 471 R HN 0.589 nan 8.270 nan 0.000 0.515 472 c N 2.820 121.180 118.600 -0.401 0.000 2.347 472 c HA 0.338 4.906 4.570 -0.004 0.000 0.353 472 c C 1.527 175.380 174.090 -0.395 0.000 1.273 472 c CA -0.243 55.744 56.329 -0.569 0.000 1.861 472 c CB 0.074 42.225 42.510 -0.598 0.000 2.420 472 c HN 0.965 nan 8.230 nan 0.000 0.542 473 S N 3.801 119.352 115.700 -0.248 0.000 2.650 473 S HA 0.603 5.071 4.470 -0.004 0.000 0.240 473 S C 0.395 174.939 174.600 -0.093 0.000 1.007 473 S CA 0.251 58.366 58.200 -0.141 0.000 0.984 473 S CB 0.006 63.153 63.200 -0.088 0.000 0.910 473 S HN 1.916 nan 8.310 nan 0.000 0.509 474 G N 1.759 110.489 108.800 -0.118 0.000 2.321 474 G HA2 0.380 4.338 3.960 -0.004 0.000 0.298 474 G HA3 0.380 4.338 3.960 -0.004 0.000 0.298 474 G C -3.009 171.856 174.900 -0.059 0.000 1.385 474 G CA -0.467 44.607 45.100 -0.045 0.000 0.856 474 G HN -0.127 nan 8.290 nan 0.000 0.584 475 P HA 0.125 nan 4.420 nan 0.000 0.233 475 P C 1.234 178.551 177.300 0.029 0.000 1.167 475 P CA 1.333 64.453 63.100 0.034 0.000 0.770 475 P CB 0.426 32.146 31.700 0.034 0.000 0.837 476 G N 0.331 109.080 108.800 -0.085 0.000 2.510 476 G HA2 0.423 4.380 3.960 -0.004 0.000 0.280 476 G HA3 0.423 4.380 3.960 -0.004 0.000 0.280 476 G C -0.355 174.286 174.900 -0.431 0.000 1.386 476 G CA -0.787 44.185 45.100 -0.213 0.000 1.047 476 G HN 0.041 nan 8.290 nan 0.000 0.527 477 L N 1.278 122.167 121.223 -0.556 0.000 2.485 477 L HA 0.149 4.486 4.340 -0.004 0.000 0.275 477 L C -1.842 174.851 176.870 -0.294 0.000 1.207 477 L CA -1.200 53.274 54.840 -0.610 0.000 0.855 477 L CB 0.730 42.527 42.059 -0.436 0.000 1.114 477 L HN 0.236 nan 8.230 nan 0.000 0.485 478 P HA 0.017 nan 4.420 nan 0.000 0.265 478 P C -0.971 176.259 177.300 -0.116 0.000 1.187 478 P CA 0.027 63.044 63.100 -0.139 0.000 0.766 478 P CB 0.568 32.279 31.700 0.017 0.000 0.820 479 L N 5.072 126.138 121.223 -0.260 0.000 2.409 479 L HA 0.489 4.827 4.340 -0.004 0.000 0.272 479 L C -1.764 174.945 176.870 -0.268 0.000 0.980 479 L CA -0.667 54.091 54.840 -0.137 0.000 0.826 479 L CB 0.995 42.989 42.059 -0.108 0.000 1.268 479 L HN 0.214 nan 8.230 nan 0.000 0.407 480 Y N 2.705 122.969 120.300 -0.060 0.000 2.335 480 Y HA 0.748 5.296 4.550 -0.003 0.000 0.338 480 Y C 0.464 176.263 175.900 -0.169 0.000 0.977 480 Y CA -0.578 57.469 58.100 -0.089 0.000 1.114 480 Y CB 2.026 40.413 38.460 -0.122 0.000 1.182 480 Y HN 0.675 nan 8.280 nan 0.000 0.463 481 T N 0.795 115.346 114.554 -0.005 0.000 2.906 481 T HA 0.711 5.058 4.350 -0.004 0.000 0.295 481 T C -1.468 173.112 174.700 -0.200 0.000 1.061 481 T CA -0.880 61.142 62.100 -0.130 0.000 1.000 481 T CB 1.967 70.805 68.868 -0.050 0.000 1.103 481 T HN 0.384 nan 8.240 nan 0.000 0.486 482 L N 1.997 122.968 121.223 -0.420 0.000 2.329 482 L HA 0.619 4.957 4.340 -0.004 0.000 0.279 482 L C -0.727 175.735 176.870 -0.680 0.000 1.014 482 L CA -0.301 54.322 54.840 -0.362 0.000 0.814 482 L CB 1.100 43.011 42.059 -0.247 0.000 1.257 482 L HN 0.813 nan 8.230 nan 0.000 0.424 483 H N 1.401 120.245 119.070 -0.378 0.000 2.895 483 H HA 0.526 5.079 4.556 -0.004 0.000 0.373 483 H C -0.942 174.146 175.328 -0.400 0.000 1.174 483 H CA -0.836 54.884 56.048 -0.547 0.000 1.144 483 H CB 2.049 31.119 29.762 -1.154 0.000 1.793 483 H HN 0.569 nan 8.280 nan 0.000 0.551 484 S N 0.498 116.136 115.700 -0.104 0.000 2.442 484 S HA 0.199 4.667 4.470 -0.004 0.000 0.297 484 S C 0.747 175.309 174.600 -0.062 0.000 1.131 484 S CA -0.767 57.405 58.200 -0.045 0.000 1.092 484 S CB 1.706 64.921 63.200 0.026 0.000 0.998 484 S HN 0.559 nan 8.310 nan 0.000 0.478 485 S N 1.994 117.670 115.700 -0.040 0.000 2.428 485 S HA -0.093 4.375 4.470 -0.004 0.000 0.230 485 S C 1.835 176.465 174.600 0.049 0.000 1.014 485 S CA 0.737 59.027 58.200 0.150 0.000 0.957 485 S CB -0.321 62.961 63.200 0.137 0.000 0.784 485 S HN 0.671 nan 8.310 nan 0.000 0.499 486 V N 3.757 123.647 119.914 -0.039 0.000 2.469 486 V HA -0.172 3.946 4.120 -0.004 0.000 0.251 486 V C 1.210 177.306 176.094 0.003 0.000 1.064 486 V CA 2.167 64.456 62.300 -0.018 0.000 1.066 486 V CB -0.483 31.317 31.823 -0.038 0.000 0.667 486 V HN 0.837 nan 8.190 nan 0.000 0.461 487 N N -3.169 115.533 118.700 0.004 0.000 2.116 487 N HA 0.056 4.794 4.740 -0.004 0.000 0.230 487 N C -0.357 175.161 175.510 0.014 0.000 1.326 487 N CA 0.281 53.335 53.050 0.007 0.000 0.867 487 N CB 0.560 39.052 38.487 0.009 0.000 1.174 487 N HN 0.285 nan 8.380 nan 0.000 0.506 488 D N 1.063 121.489 120.400 0.043 0.000 2.737 488 D HA -0.125 4.512 4.640 -0.004 0.000 0.233 488 D C -0.547 175.783 176.300 0.049 0.000 1.155 488 D CA 1.184 55.232 54.000 0.080 0.000 0.667 488 D CB -0.393 40.440 40.800 0.054 0.000 1.060 488 D HN 0.425 nan 8.370 nan 0.000 0.427 489 K N 0.122 120.539 120.400 0.028 0.000 2.110 489 K HA 0.529 4.846 4.320 -0.004 0.000 0.263 489 K C 0.869 177.475 176.600 0.009 0.000 0.975 489 K CA -0.518 55.782 56.287 0.021 0.000 0.895 489 K CB 1.367 33.869 32.500 0.003 0.000 1.060 489 K HN 0.094 nan 8.250 nan 0.000 0.448 490 G N 1.935 110.729 108.800 -0.009 0.000 2.380 490 G HA2 0.263 4.221 3.960 -0.004 0.000 0.262 490 G HA3 0.263 4.221 3.960 -0.004 0.000 0.262 490 G C 0.849 175.626 174.900 -0.206 0.000 1.243 490 G CA -0.361 44.617 45.100 -0.204 0.000 0.865 490 G HN 0.495 nan 8.290 nan 0.000 0.513 491 L N 1.632 122.681 121.223 -0.290 0.000 2.221 491 L HA 0.338 4.675 4.340 -0.004 0.000 0.202 491 L C 1.547 178.315 176.870 -0.169 0.000 1.074 491 L CA 0.636 55.372 54.840 -0.172 0.000 0.795 491 L CB -0.150 41.821 42.059 -0.146 0.000 0.960 491 L HN 0.776 nan 8.230 nan 0.000 0.458 492 R N -2.020 118.334 120.500 -0.243 0.000 2.829 492 R HA 0.363 4.701 4.340 -0.004 0.000 0.283 492 R C -1.748 174.410 176.300 -0.237 0.000 1.013 492 R CA -0.891 55.093 56.100 -0.193 0.000 0.848 492 R CB 1.198 31.414 30.300 -0.140 0.000 1.291 492 R HN -0.280 nan 8.270 nan 0.000 0.496 493 V N 2.621 122.427 119.914 -0.180 0.000 2.465 493 V HA 0.228 4.346 4.120 -0.004 0.000 0.279 493 V C 1.194 177.149 176.094 -0.232 0.000 1.045 493 V CA -0.448 61.749 62.300 -0.171 0.000 0.938 493 V CB 1.279 33.041 31.823 -0.102 0.000 0.986 493 V HN 0.642 nan 8.190 nan 0.000 0.467 494 L N 2.417 123.442 121.223 -0.330 0.000 2.253 494 L HA 0.339 4.677 4.340 -0.004 0.000 0.205 494 L C 0.616 177.271 176.870 -0.359 0.000 1.078 494 L CA 0.588 55.063 54.840 -0.609 0.000 0.805 494 L CB 0.280 41.591 42.059 -1.247 0.000 0.963 494 L HN 0.695 nan 8.230 nan 0.000 0.459 495 E N -0.073 120.045 120.200 -0.137 0.000 2.406 495 E HA 0.088 4.436 4.350 -0.004 0.000 0.297 495 E C -1.173 175.484 176.600 0.096 0.000 0.917 495 E CA -0.329 56.082 56.400 0.018 0.000 0.795 495 E CB 1.078 30.802 29.700 0.040 0.000 1.285 495 E HN 0.149 nan 8.360 nan 0.000 0.400 496 D N 3.064 123.494 120.400 0.050 0.000 2.433 496 D HA 0.143 4.781 4.640 -0.004 0.000 0.211 496 D C -0.240 176.074 176.300 0.024 0.000 1.114 496 D CA -0.197 53.822 54.000 0.031 0.000 0.837 496 D CB 0.003 40.801 40.800 -0.005 0.000 0.984 496 D HN 0.445 nan 8.370 nan 0.000 0.505 497 N N 0.380 119.108 118.700 0.048 0.000 2.754 497 N HA -0.204 4.533 4.740 -0.004 0.000 0.248 497 N C 0.943 176.460 175.510 0.012 0.000 1.093 497 N CA 0.902 53.975 53.050 0.037 0.000 0.699 497 N CB -1.393 37.109 38.487 0.025 0.000 1.016 497 N HN 0.477 nan 8.380 nan 0.000 0.552 498 S N -1.196 114.512 115.700 0.014 0.000 2.402 498 S HA -0.017 4.451 4.470 -0.004 0.000 0.229 498 S C 2.103 176.717 174.600 0.022 0.000 1.021 498 S CA 0.945 59.149 58.200 0.007 0.000 0.974 498 S CB -0.099 63.105 63.200 0.008 0.000 0.800 498 S HN 0.502 nan 8.310 nan 0.000 0.484 499 A N 2.228 125.070 122.820 0.038 0.000 1.865 499 A HA 0.031 4.349 4.320 -0.004 0.000 0.217 499 A C 2.255 179.881 177.584 0.070 0.000 1.191 499 A CA 1.690 53.759 52.037 0.053 0.000 0.623 499 A CB -1.003 18.032 19.000 0.059 0.000 0.826 499 A HN 0.543 nan 8.150 nan 0.000 0.444 500 L N 0.410 121.679 121.223 0.075 0.000 2.046 500 L HA -0.161 4.176 4.340 -0.004 0.000 0.208 500 L C 1.953 178.857 176.870 0.057 0.000 1.077 500 L CA 2.892 57.792 54.840 0.101 0.000 0.747 500 L CB -0.776 41.344 42.059 0.102 0.000 0.896 500 L HN 0.521 nan 8.230 nan 0.000 0.432 501 D N -0.792 119.613 120.400 0.008 0.000 2.149 501 D HA -0.261 4.376 4.640 -0.004 0.000 0.198 501 D C 2.172 178.475 176.300 0.005 0.000 0.990 501 D CA 1.172 55.159 54.000 -0.022 0.000 0.839 501 D CB -0.108 40.667 40.800 -0.041 0.000 0.948 501 D HN 0.148 nan 8.370 nan 0.000 0.460 502 K N 0.151 120.567 120.400 0.027 0.000 2.026 502 K HA -0.120 4.198 4.320 -0.004 0.000 0.208 502 K C 2.122 178.758 176.600 0.061 0.000 1.048 502 K CA 1.108 57.418 56.287 0.039 0.000 0.929 502 K CB -0.388 32.139 32.500 0.044 0.000 0.713 502 K HN 0.324 nan 8.250 nan 0.000 0.439 503 M N 0.488 120.147 119.600 0.098 0.000 2.086 503 M HA -0.133 4.345 4.480 -0.004 0.000 0.261 503 M C 2.186 178.538 176.300 0.087 0.000 1.067 503 M CA 1.349 56.748 55.300 0.166 0.000 1.116 503 M CB -0.247 32.543 32.600 0.316 0.000 1.348 503 M HN 0.032 nan 8.290 nan 0.000 0.407 504 L N -0.122 121.095 121.223 -0.010 0.000 2.362 504 L HA -0.185 4.153 4.340 -0.004 0.000 0.219 504 L C 2.535 179.373 176.870 -0.054 0.000 1.134 504 L CA 0.496 55.265 54.840 -0.119 0.000 0.807 504 L CB -0.703 41.292 42.059 -0.106 0.000 0.927 504 L HN 0.386 nan 8.230 nan 0.000 0.447 505 Q N 0.436 120.231 119.800 -0.008 0.000 2.135 505 Q HA -0.129 4.209 4.340 -0.004 0.000 0.204 505 Q C 1.169 177.180 176.000 0.019 0.000 0.981 505 Q CA 1.118 56.924 55.803 0.005 0.000 0.856 505 Q CB -0.251 28.497 28.738 0.018 0.000 0.902 505 Q HN 0.622 nan 8.270 nan 0.000 0.425 506 N N 0.150 118.871 118.700 0.035 0.000 2.322 506 N HA 0.077 4.815 4.740 -0.004 0.000 0.216 506 N C -0.459 175.085 175.510 0.057 0.000 1.144 506 N CA 0.098 53.181 53.050 0.056 0.000 0.830 506 N CB 1.084 39.620 38.487 0.081 0.000 1.034 506 N HN -0.062 nan 8.380 nan 0.000 0.484 507 V N 0.815 120.738 119.914 0.015 0.000 2.735 507 V HA 0.206 4.324 4.120 -0.004 0.000 0.310 507 V C 0.014 176.109 176.094 0.001 0.000 1.061 507 V CA -0.897 61.409 62.300 0.009 0.000 0.913 507 V CB 2.718 34.483 31.823 -0.097 0.000 1.005 507 V HN 0.030 nan 8.190 nan 0.000 0.428 508 Q N 4.241 124.057 119.800 0.026 0.000 2.534 508 Q HA 0.342 4.680 4.340 -0.004 0.000 0.223 508 Q C -0.500 175.476 176.000 -0.039 0.000 1.239 508 Q CA -0.249 55.546 55.803 -0.014 0.000 0.936 508 Q CB 0.493 29.240 28.738 0.016 0.000 1.457 508 Q HN 0.518 nan 8.270 nan 0.000 0.547 509 M N 3.600 123.158 119.600 -0.069 0.000 2.255 509 M HA 0.365 4.843 4.480 -0.004 0.000 0.336 509 M C -1.937 174.294 176.300 -0.115 0.000 1.135 509 M CA -2.452 52.796 55.300 -0.087 0.000 1.145 509 M CB -0.006 32.544 32.600 -0.083 0.000 1.473 509 M HN 0.302 nan 8.290 nan 0.000 0.462 510 P HA 0.281 nan 4.420 nan 0.000 0.278 510 P C -0.861 176.353 177.300 -0.142 0.000 1.266 510 P CA -0.367 62.641 63.100 -0.153 0.000 0.807 510 P CB 0.733 32.330 31.700 -0.172 0.000 1.094 511 S N -0.831 114.772 115.700 -0.162 0.000 2.664 511 S HA 0.621 5.089 4.470 -0.004 0.000 0.304 511 S C -0.562 173.944 174.600 -0.157 0.000 1.099 511 S CA -0.781 57.340 58.200 -0.133 0.000 1.003 511 S CB 1.844 64.969 63.200 -0.125 0.000 1.092 511 S HN 0.529 nan 8.310 nan 0.000 0.525 512 K N 0.520 120.854 120.400 -0.111 0.000 2.345 512 K HA 0.444 4.762 4.320 -0.004 0.000 0.255 512 K C -1.358 175.192 176.600 -0.083 0.000 0.934 512 K CA -0.570 55.655 56.287 -0.104 0.000 0.801 512 K CB 1.464 33.923 32.500 -0.068 0.000 1.137 512 K HN 0.744 nan 8.250 nan 0.000 0.424 513 K N 4.844 125.188 120.400 -0.093 0.000 2.244 513 K HA 0.355 4.673 4.320 -0.004 0.000 0.260 513 K C -1.677 174.895 176.600 -0.047 0.000 0.951 513 K CA -0.867 55.380 56.287 -0.066 0.000 0.826 513 K CB 1.102 33.550 32.500 -0.086 0.000 1.108 513 K HN 0.453 nan 8.250 nan 0.000 0.433 514 L N 3.969 125.179 121.223 -0.022 0.000 2.343 514 L HA 0.550 4.888 4.340 -0.004 0.000 0.278 514 L C -1.340 175.542 176.870 0.021 0.000 0.996 514 L CA 0.145 54.998 54.840 0.021 0.000 0.831 514 L CB 1.427 43.559 42.059 0.123 0.000 1.232 514 L HN 0.847 nan 8.230 nan 0.000 0.413 515 D N 2.774 123.028 120.400 -0.244 0.000 2.838 515 D HA 0.548 5.186 4.640 -0.004 0.000 0.334 515 D C -1.549 174.436 176.300 -0.526 0.000 1.315 515 D CA -0.005 53.786 54.000 -0.349 0.000 0.917 515 D CB 1.545 42.095 40.800 -0.416 0.000 1.435 515 D HN 0.225 nan 8.370 nan 0.000 0.517 516 F N -0.340 119.278 119.950 -0.554 0.000 2.664 516 F HA 0.756 5.281 4.527 -0.004 0.000 0.317 516 F C -0.901 174.942 175.800 0.071 0.000 1.108 516 F CA -1.128 56.644 58.000 -0.381 0.000 0.957 516 F CB 0.885 39.194 39.000 -1.153 0.000 1.365 516 F HN 0.298 nan 8.300 nan 0.000 0.475 517 I N -0.110 120.684 120.570 0.374 0.000 2.785 517 I HA 0.681 4.849 4.170 -0.004 0.000 0.302 517 I C -1.476 174.855 176.117 0.357 0.000 1.069 517 I CA -1.188 60.274 61.300 0.269 0.000 1.045 517 I CB 2.476 40.626 38.000 0.249 0.000 1.236 517 I HN 0.642 nan 8.210 nan 0.000 0.429 518 I N 5.282 126.001 120.570 0.248 0.000 2.321 518 I HA 0.433 4.601 4.170 -0.004 0.000 0.291 518 I C -0.779 175.464 176.117 0.210 0.000 0.998 518 I CA -0.496 60.941 61.300 0.229 0.000 1.227 518 I CB 1.479 39.579 38.000 0.167 0.000 1.368 518 I HN 0.381 nan 8.210 nan 0.000 0.466 519 L N 6.502 127.900 121.223 0.291 0.000 2.376 519 L HA 0.425 4.763 4.340 -0.004 0.000 0.275 519 L C -0.066 176.941 176.870 0.228 0.000 0.987 519 L CA -0.725 54.271 54.840 0.260 0.000 0.828 519 L CB 1.513 43.773 42.059 0.334 0.000 1.249 519 L HN 0.591 nan 8.230 nan 0.000 0.409 520 N N 2.451 121.226 118.700 0.125 0.000 2.735 520 N HA -0.209 4.528 4.740 -0.004 0.000 0.248 520 N C -0.045 175.505 175.510 0.066 0.000 1.083 520 N CA 1.226 54.327 53.050 0.086 0.000 0.703 520 N CB -0.725 37.815 38.487 0.088 0.000 1.005 520 N HN 0.798 nan 8.380 nan 0.000 0.550 521 E N -4.327 115.908 120.200 0.058 0.000 3.628 521 E HA -0.211 4.137 4.350 -0.004 0.000 0.309 521 E C -0.579 176.015 176.600 -0.010 0.000 0.839 521 E CA 1.433 57.849 56.400 0.026 0.000 1.123 521 E CB -1.934 27.774 29.700 0.014 0.000 1.568 521 E HN 0.506 nan 8.360 nan 0.000 0.440 522 T N 0.870 115.412 114.554 -0.021 0.000 2.841 522 T HA 0.416 4.764 4.350 -0.004 0.000 0.283 522 T C 0.025 174.541 174.700 -0.306 0.000 1.000 522 T CA -0.683 61.296 62.100 -0.202 0.000 0.977 522 T CB 1.763 70.442 68.868 -0.317 0.000 0.979 522 T HN -0.031 nan 8.240 nan 0.000 0.446 523 K N 2.145 122.320 120.400 -0.375 0.000 2.276 523 K HA 0.467 4.785 4.320 -0.004 0.000 0.283 523 K C -1.027 175.287 176.600 -0.477 0.000 1.044 523 K CA -0.085 56.007 56.287 -0.325 0.000 0.944 523 K CB 0.579 32.746 32.500 -0.554 0.000 1.012 523 K HN 0.444 nan 8.250 nan 0.000 0.472 524 F N 2.104 122.127 119.950 0.122 0.000 2.507 524 F HA 0.304 4.829 4.527 -0.004 0.000 0.328 524 F C -0.568 175.351 175.800 0.198 0.000 1.136 524 F CA -0.908 57.176 58.000 0.140 0.000 0.930 524 F CB 1.028 40.129 39.000 0.168 0.000 1.166 524 F HN 0.423 nan 8.300 nan 0.000 0.436 525 W N 3.791 125.249 121.300 0.264 0.000 2.303 525 W HA 0.494 5.152 4.660 -0.004 0.000 0.334 525 W C -0.574 176.161 176.519 0.360 0.000 1.197 525 W CA -0.574 56.946 57.345 0.292 0.000 1.262 525 W CB 0.535 30.093 29.460 0.164 0.000 1.153 525 W HN 0.431 nan 8.180 nan 0.000 0.596 526 Y N -0.532 120.122 120.300 0.589 0.000 2.625 526 Y HA 0.646 5.194 4.550 -0.004 0.000 0.338 526 Y C -0.986 175.152 175.900 0.398 0.000 1.123 526 Y CA -1.889 56.547 58.100 0.560 0.000 1.046 526 Y CB 1.060 40.015 38.460 0.824 0.000 1.299 526 Y HN 0.573 nan 8.280 nan 0.000 0.464 527 Q N 2.126 122.182 119.800 0.425 0.000 2.451 527 Q HA 0.791 5.129 4.340 -0.004 0.000 0.281 527 Q C -1.759 174.370 176.000 0.214 0.000 1.099 527 Q CA -1.219 54.706 55.803 0.202 0.000 0.806 527 Q CB 3.418 32.237 28.738 0.135 0.000 1.419 527 Q HN 0.855 nan 8.270 nan 0.000 0.427 528 M N 2.157 121.795 119.600 0.063 0.000 2.326 528 M HA 0.425 4.903 4.480 -0.004 0.000 0.292 528 M C -1.376 174.837 176.300 -0.146 0.000 1.081 528 M CA -0.890 54.370 55.300 -0.066 0.000 0.919 528 M CB 2.273 34.787 32.600 -0.143 0.000 1.634 528 M HN 0.603 nan 8.290 nan 0.000 0.451 529 I N 5.094 125.569 120.570 -0.158 0.000 2.312 529 I HA 0.382 4.550 4.170 -0.004 0.000 0.291 529 I C -0.441 175.502 176.117 -0.291 0.000 1.031 529 I CA -0.291 60.894 61.300 -0.192 0.000 1.293 529 I CB 0.389 38.298 38.000 -0.152 0.000 1.403 529 I HN 0.633 nan 8.210 nan 0.000 0.484 530 L N 8.309 129.309 121.223 -0.373 0.000 2.309 530 L HA 0.479 4.817 4.340 -0.004 0.000 0.282 530 L C -2.238 174.413 176.870 -0.364 0.000 1.036 530 L CA -1.859 52.651 54.840 -0.550 0.000 0.806 530 L CB 1.343 42.878 42.059 -0.874 0.000 1.220 530 L HN 0.266 nan 8.230 nan 0.000 0.429 531 P HA 0.083 nan 4.420 nan 0.000 0.269 531 P C -2.475 174.766 177.300 -0.099 0.000 1.217 531 P CA -0.805 62.209 63.100 -0.145 0.000 0.783 531 P CB -0.123 31.551 31.700 -0.042 0.000 0.898 532 P HA -0.005 nan 4.420 nan 0.000 0.268 532 P C -0.524 176.669 177.300 -0.178 0.000 1.208 532 P CA 0.426 63.366 63.100 -0.266 0.000 0.777 532 P CB -0.277 31.201 31.700 -0.368 0.000 0.875 533 H N -1.967 117.143 119.070 0.066 0.000 2.741 533 H HA -0.224 4.329 4.556 -0.004 0.000 0.305 533 H C 0.012 175.411 175.328 0.119 0.000 1.169 533 H CA -0.356 55.737 56.048 0.076 0.000 1.144 533 H CB -2.276 27.522 29.762 0.061 0.000 1.397 533 H HN 0.302 nan 8.280 nan 0.000 0.409 534 F N 2.291 122.237 119.950 -0.006 0.000 2.623 534 F HA 0.108 4.633 4.527 -0.004 0.000 0.383 534 F C 0.561 176.383 175.800 0.036 0.000 1.077 534 F CA -0.037 57.917 58.000 -0.078 0.000 1.268 534 F CB 0.505 39.341 39.000 -0.275 0.000 1.053 534 F HN 0.283 nan 8.300 nan 0.000 0.571 535 D N 5.421 125.493 120.400 -0.548 0.000 2.469 535 D HA 0.144 4.782 4.640 -0.004 0.000 0.251 535 D C 0.451 176.369 176.300 -0.636 0.000 1.173 535 D CA -0.621 53.127 54.000 -0.420 0.000 0.882 535 D CB 1.098 41.818 40.800 -0.132 0.000 1.129 535 D HN 0.648 nan 8.370 nan 0.000 0.549 536 K N 1.140 121.183 120.400 -0.595 0.000 2.519 536 K HA -0.115 4.203 4.320 -0.004 0.000 0.196 536 K C 1.092 177.683 176.600 -0.015 0.000 1.041 536 K CA 1.276 57.408 56.287 -0.258 0.000 0.954 536 K CB -0.065 32.466 32.500 0.052 0.000 0.774 536 K HN 0.186 nan 8.250 nan 0.000 0.480 537 S N -0.227 115.428 115.700 -0.075 0.000 2.528 537 S HA 0.070 4.538 4.470 -0.004 0.000 0.219 537 S C 0.325 174.895 174.600 -0.051 0.000 0.985 537 S CA -0.395 57.783 58.200 -0.036 0.000 0.914 537 S CB -0.021 63.150 63.200 -0.048 0.000 0.776 537 S HN 0.249 nan 8.310 nan 0.000 0.526 538 K N 1.003 121.351 120.400 -0.085 0.000 2.139 538 K HA 0.455 4.773 4.320 -0.004 0.000 0.243 538 K C -0.623 175.927 176.600 -0.083 0.000 0.983 538 K CA -0.848 55.334 56.287 -0.175 0.000 0.890 538 K CB 0.658 32.910 32.500 -0.414 0.000 1.090 538 K HN -0.048 nan 8.250 nan 0.000 0.445 539 K N 2.286 122.592 120.400 -0.157 0.000 2.293 539 K HA 0.277 4.595 4.320 -0.004 0.000 0.267 539 K C -1.016 175.516 176.600 -0.115 0.000 1.010 539 K CA -0.351 55.922 56.287 -0.025 0.000 0.875 539 K CB 0.774 33.245 32.500 -0.047 0.000 1.106 539 K HN 0.480 nan 8.250 nan 0.000 0.450 540 Y N 2.951 123.288 120.300 0.061 0.000 2.457 540 Y HA 0.296 4.844 4.550 -0.004 0.000 0.333 540 Y C -1.716 174.133 175.900 -0.086 0.000 1.119 540 Y CA -2.154 55.953 58.100 0.010 0.000 1.143 540 Y CB 1.165 39.686 38.460 0.101 0.000 1.230 540 Y HN 0.437 nan 8.280 nan 0.000 0.469 541 P HA 0.177 nan 4.420 nan 0.000 0.274 541 P C -1.195 175.974 177.300 -0.218 0.000 1.237 541 P CA -0.232 62.600 63.100 -0.447 0.000 0.793 541 P CB 1.633 32.699 31.700 -1.057 0.000 0.977 542 L N 2.379 123.512 121.223 -0.151 0.000 2.385 542 L HA 0.521 4.859 4.340 -0.004 0.000 0.273 542 L C -1.232 175.823 176.870 0.308 0.000 0.990 542 L CA -1.162 53.733 54.840 0.091 0.000 0.821 542 L CB 1.797 43.923 42.059 0.111 0.000 1.279 542 L HN 0.157 nan 8.230 nan 0.000 0.412 543 L N 5.459 126.868 121.223 0.309 0.000 2.305 543 L HA 0.507 4.845 4.340 -0.004 0.000 0.284 543 L C -1.276 175.815 176.870 0.367 0.000 1.013 543 L CA -0.348 54.729 54.840 0.394 0.000 0.819 543 L CB 1.571 43.813 42.059 0.306 0.000 1.227 543 L HN 0.615 nan 8.230 nan 0.000 0.417 544 L N 5.159 126.646 121.223 0.440 0.000 2.261 544 L HA 0.404 4.742 4.340 -0.004 0.000 0.289 544 L C -0.548 176.550 176.870 0.381 0.000 1.059 544 L CA 0.189 55.274 54.840 0.408 0.000 0.816 544 L CB 0.565 42.903 42.059 0.465 0.000 1.191 544 L HN 0.645 nan 8.230 nan 0.000 0.431 545 D N 4.451 125.053 120.400 0.335 0.000 2.347 545 D HA 0.248 4.886 4.640 -0.004 0.000 0.235 545 D C -1.008 175.372 176.300 0.133 0.000 1.149 545 D CA 0.103 54.229 54.000 0.209 0.000 0.850 545 D CB 1.246 42.227 40.800 0.302 0.000 1.061 545 D HN 0.341 nan 8.370 nan 0.000 0.487 546 V N 5.491 125.414 119.914 0.015 0.000 2.769 546 V HA 0.451 4.569 4.120 -0.004 0.000 0.312 546 V C -0.977 175.202 176.094 0.141 0.000 1.061 546 V CA -0.445 61.924 62.300 0.116 0.000 0.931 546 V CB 1.835 33.730 31.823 0.120 0.000 1.010 546 V HN 0.679 nan 8.190 nan 0.000 0.433 547 Y N 4.950 125.319 120.300 0.115 0.000 3.183 547 Y HA 0.556 5.104 4.550 -0.004 0.000 0.200 547 Y C 1.535 177.575 175.900 0.233 0.000 0.912 547 Y CA 1.058 59.252 58.100 0.156 0.000 1.642 547 Y CB 0.330 38.860 38.460 0.118 0.000 1.447 547 Y HN 1.015 nan 8.280 nan 0.000 0.421 548 A N 1.018 123.948 122.820 0.184 0.000 2.847 548 A HA -0.163 4.155 4.320 -0.004 0.000 0.263 548 A C 0.827 178.285 177.584 -0.211 0.000 1.391 548 A CA 0.880 52.970 52.037 0.089 0.000 0.866 548 A CB -2.472 16.634 19.000 0.176 0.000 1.057 548 A HN 0.933 nan 8.150 nan 0.000 0.673 549 G N -0.485 107.963 108.800 -0.587 0.000 2.651 549 G HA2 0.502 4.460 3.960 -0.004 0.000 0.260 549 G HA3 0.502 4.460 3.960 -0.004 0.000 0.260 549 G C -1.890 172.714 174.900 -0.493 0.000 1.216 549 G CA -0.609 43.757 45.100 -1.223 0.000 0.913 549 G HN 0.420 nan 8.290 nan 0.000 0.535 550 P HA 0.054 nan 4.420 nan 0.000 0.267 550 P C 0.576 177.759 177.300 -0.194 0.000 1.205 550 P CA 0.162 63.004 63.100 -0.429 0.000 0.765 550 P CB 0.865 31.934 31.700 -1.053 0.000 0.828 551 C N 2.163 121.405 119.300 -0.097 0.000 4.417 551 C HA -0.149 4.309 4.460 -0.004 0.000 0.284 551 C C 1.118 176.129 174.990 0.035 0.000 1.379 551 C CA 1.205 60.130 59.018 -0.155 0.000 1.918 551 C CB -2.622 24.870 27.740 -0.412 0.000 1.280 551 C HN 0.826 nan 8.230 nan 0.000 0.783 552 S N -0.043 115.746 115.700 0.149 0.000 2.645 552 S HA 0.589 5.057 4.470 -0.004 0.000 0.266 552 S C -0.599 174.165 174.600 0.274 0.000 1.258 552 S CA 0.151 58.526 58.200 0.292 0.000 0.990 552 S CB 1.637 65.081 63.200 0.406 0.000 0.967 552 S HN 0.824 nan 8.310 nan 0.000 0.556 553 Q N -0.154 119.834 119.800 0.313 0.000 2.334 553 Q HA 0.334 4.671 4.340 -0.004 0.000 0.249 553 Q C -0.836 175.297 176.000 0.222 0.000 0.909 553 Q CA -0.549 55.429 55.803 0.292 0.000 0.823 553 Q CB 1.005 29.979 28.738 0.394 0.000 1.353 553 Q HN 0.689 nan 8.270 nan 0.000 0.433 554 K N 1.038 121.566 120.400 0.213 0.000 2.358 554 K HA 0.340 4.658 4.320 -0.004 0.000 0.200 554 K C -0.432 176.278 176.600 0.183 0.000 1.030 554 K CA 0.252 56.652 56.287 0.189 0.000 1.097 554 K CB 1.526 34.162 32.500 0.227 0.000 0.862 554 K HN 0.486 nan 8.250 nan 0.000 0.534 555 A N 2.683 125.620 122.820 0.195 0.000 2.277 555 A HA 0.437 4.755 4.320 -0.004 0.000 0.318 555 A C -0.791 176.869 177.584 0.128 0.000 1.339 555 A CA -0.543 51.612 52.037 0.196 0.000 0.875 555 A CB 0.188 19.363 19.000 0.291 0.000 1.158 555 A HN 0.239 nan 8.150 nan 0.000 0.514 556 D N -0.095 120.357 120.400 0.087 0.000 2.752 556 D HA 0.425 5.063 4.640 -0.004 0.000 0.313 556 D C 0.386 176.710 176.300 0.039 0.000 1.225 556 D CA 0.282 54.323 54.000 0.068 0.000 0.976 556 D CB 0.318 41.164 40.800 0.077 0.000 1.443 556 D HN 0.170 nan 8.370 nan 0.000 0.515 557 T N -2.228 112.370 114.554 0.075 0.000 3.206 557 T HA 0.338 4.686 4.350 -0.004 0.000 0.253 557 T C 0.341 175.016 174.700 -0.041 0.000 1.042 557 T CA -0.390 61.742 62.100 0.054 0.000 0.931 557 T CB -0.730 68.212 68.868 0.124 0.000 1.029 557 T HN 0.264 nan 8.240 nan 0.000 0.564 558 V N 2.421 122.215 119.914 -0.200 0.000 2.583 558 V HA 0.370 4.488 4.120 -0.004 0.000 0.287 558 V C 0.007 176.048 176.094 -0.089 0.000 1.051 558 V CA -1.047 61.093 62.300 -0.266 0.000 1.010 558 V CB 0.364 31.910 31.823 -0.461 0.000 0.988 558 V HN 0.565 nan 8.190 nan 0.000 0.478 559 F N 6.298 126.152 119.950 -0.160 0.000 2.424 559 F HA 0.571 5.095 4.527 -0.004 0.000 0.356 559 F C 0.455 176.196 175.800 -0.098 0.000 1.110 559 F CA -0.213 57.718 58.000 -0.115 0.000 1.161 559 F CB 0.231 39.172 39.000 -0.100 0.000 1.115 559 F HN 0.433 nan 8.300 nan 0.000 0.507 560 R N 6.330 126.369 120.500 -0.769 0.000 2.744 560 R HA 0.595 4.933 4.340 -0.004 0.000 0.279 560 R C -1.610 174.251 176.300 -0.731 0.000 0.977 560 R CA -1.131 54.632 56.100 -0.562 0.000 0.906 560 R CB 2.221 32.357 30.300 -0.273 0.000 1.197 560 R HN 0.654 nan 8.270 nan 0.000 0.463 561 L N 3.837 124.811 121.223 -0.415 0.000 2.324 561 L HA 0.408 4.746 4.340 -0.004 0.000 0.274 561 L C -0.715 176.114 176.870 -0.069 0.000 1.012 561 L CA -0.623 54.019 54.840 -0.331 0.000 0.859 561 L CB 0.679 42.677 42.059 -0.103 0.000 1.224 561 L HN 0.789 nan 8.230 nan 0.000 0.429 562 N N 0.408 118.998 118.700 -0.182 0.000 3.506 562 N HA 0.150 4.888 4.740 -0.004 0.000 0.331 562 N C 0.207 175.360 175.510 -0.594 0.000 1.631 562 N CA -0.843 52.012 53.050 -0.325 0.000 0.786 562 N CB 0.137 38.551 38.487 -0.122 0.000 2.023 562 N HN 0.291 nan 8.380 nan 0.000 0.621 563 W N 0.749 121.441 121.300 -1.013 0.000 2.338 563 W HA 0.145 4.803 4.660 -0.004 0.000 0.304 563 W C 2.098 178.537 176.519 -0.133 0.000 1.212 563 W CA 2.960 59.943 57.345 -0.604 0.000 1.264 563 W CB -1.028 28.231 29.460 -0.335 0.000 1.142 563 W HN 0.700 nan 8.180 nan 0.000 0.512 564 A N -0.619 122.175 122.820 -0.045 0.000 1.972 564 A HA -0.203 4.115 4.320 -0.004 0.000 0.219 564 A C 1.934 179.406 177.584 -0.186 0.000 1.169 564 A CA 2.431 54.376 52.037 -0.153 0.000 0.635 564 A CB -1.259 17.728 19.000 -0.022 0.000 0.810 564 A HN 0.300 nan 8.150 nan 0.000 0.446 565 T N -1.191 113.270 114.554 -0.156 0.000 2.720 565 T HA -0.203 4.144 4.350 -0.004 0.000 0.268 565 T C 1.818 176.548 174.700 0.051 0.000 1.037 565 T CA 1.760 63.750 62.100 -0.182 0.000 1.144 565 T CB -0.466 68.111 68.868 -0.484 0.000 0.864 565 T HN 0.703 nan 8.240 nan 0.000 0.444 566 Y N 2.031 122.417 120.300 0.143 0.000 2.200 566 Y HA 0.023 4.571 4.550 -0.003 0.000 0.290 566 Y C 1.936 177.816 175.900 -0.035 0.000 1.137 566 Y CA 0.787 58.989 58.100 0.171 0.000 1.163 566 Y CB -0.795 37.749 38.460 0.140 0.000 0.988 566 Y HN 0.117 nan 8.280 nan 0.000 0.518 567 L N 0.287 121.048 121.223 -0.771 0.000 2.012 567 L HA -0.237 4.101 4.340 -0.004 0.000 0.210 567 L C 2.833 179.439 176.870 -0.440 0.000 1.073 567 L CA 1.481 55.814 54.840 -0.845 0.000 0.748 567 L CB -1.045 40.557 42.059 -0.761 0.000 0.891 567 L HN 0.410 nan 8.230 nan 0.000 0.431 568 A N -1.242 121.405 122.820 -0.288 0.000 1.872 568 A HA -0.181 4.137 4.320 -0.004 0.000 0.214 568 A C 2.519 180.028 177.584 -0.124 0.000 1.187 568 A CA 1.765 53.689 52.037 -0.188 0.000 0.614 568 A CB -0.634 18.251 19.000 -0.191 0.000 0.826 568 A HN 0.341 nan 8.150 nan 0.000 0.442 569 S N -1.097 114.551 115.700 -0.086 0.000 2.348 569 S HA -0.126 4.342 4.470 -0.004 0.000 0.221 569 S C 2.026 176.645 174.600 0.032 0.000 1.033 569 S CA 2.318 60.517 58.200 -0.002 0.000 1.010 569 S CB -0.431 62.829 63.200 0.099 0.000 0.891 569 S HN 0.583 nan 8.310 nan 0.000 0.442 570 T N 1.248 115.817 114.554 0.024 0.000 2.983 570 T HA 0.168 4.516 4.350 -0.004 0.000 0.250 570 T C 1.367 176.062 174.700 -0.008 0.000 1.037 570 T CA 0.590 62.730 62.100 0.068 0.000 1.142 570 T CB -0.109 68.908 68.868 0.247 0.000 0.876 570 T HN 0.309 nan 8.240 nan 0.000 0.455 571 E N 1.294 121.395 120.200 -0.165 0.000 2.479 571 E HA 0.160 4.508 4.350 -0.004 0.000 0.193 571 E C -0.018 176.561 176.600 -0.034 0.000 1.049 571 E CA -0.099 56.232 56.400 -0.114 0.000 0.870 571 E CB -0.403 29.153 29.700 -0.239 0.000 0.944 571 E HN 0.551 nan 8.360 nan 0.000 0.492 572 N N 0.702 119.394 118.700 -0.014 0.000 2.727 572 N HA -0.196 4.542 4.740 -0.004 0.000 0.249 572 N C -0.790 174.788 175.510 0.113 0.000 1.048 572 N CA 0.201 53.305 53.050 0.089 0.000 0.714 572 N CB -1.146 37.440 38.487 0.165 0.000 0.959 572 N HN 0.210 nan 8.380 nan 0.000 0.544 573 I N 0.854 121.418 120.570 -0.010 0.000 2.412 573 I HA 0.368 4.535 4.170 -0.004 0.000 0.296 573 I C 0.580 176.654 176.117 -0.072 0.000 0.987 573 I CA -0.859 60.439 61.300 -0.003 0.000 1.180 573 I CB 1.462 39.461 38.000 -0.001 0.000 1.340 573 I HN 0.026 nan 8.210 nan 0.000 0.455 574 I N 6.197 126.731 120.570 -0.060 0.000 2.371 574 I HA 0.183 4.350 4.170 -0.004 0.000 0.290 574 I C -0.439 175.638 176.117 -0.067 0.000 1.028 574 I CA -0.427 60.785 61.300 -0.147 0.000 1.345 574 I CB 1.169 39.079 38.000 -0.150 0.000 1.407 574 I HN 0.192 nan 8.210 nan 0.000 0.501 575 V N 6.688 126.550 119.914 -0.087 0.000 2.357 575 V HA 0.618 4.736 4.120 -0.004 0.000 0.284 575 V C 0.281 176.382 176.094 0.011 0.000 1.018 575 V CA -0.444 61.860 62.300 0.007 0.000 0.841 575 V CB 1.195 33.019 31.823 0.002 0.000 0.991 575 V HN 0.838 nan 8.190 nan 0.000 0.437 576 A N 3.986 126.842 122.820 0.060 0.000 2.356 576 A HA 0.953 5.270 4.320 -0.004 0.000 0.323 576 A C -0.194 177.531 177.584 0.235 0.000 1.119 576 A CA -0.518 51.549 52.037 0.050 0.000 0.790 576 A CB 1.737 20.590 19.000 -0.245 0.000 1.273 576 A HN 0.685 nan 8.150 nan 0.000 0.452 577 S N -0.185 115.706 115.700 0.318 0.000 2.549 577 S HA 0.743 5.211 4.470 -0.004 0.000 0.280 577 S C -1.479 173.485 174.600 0.606 0.000 1.109 577 S CA -0.301 58.142 58.200 0.404 0.000 0.905 577 S CB 1.319 64.696 63.200 0.296 0.000 1.081 577 S HN 0.750 nan 8.310 nan 0.000 0.477 578 F N 1.841 122.034 119.950 0.405 0.000 2.556 578 F HA 0.491 5.015 4.527 -0.004 0.000 0.314 578 F C -1.487 174.517 175.800 0.340 0.000 1.106 578 F CA -0.784 57.476 58.000 0.433 0.000 0.911 578 F CB 1.517 40.736 39.000 0.366 0.000 1.190 578 F HN 0.392 nan 8.300 nan 0.000 0.448 579 D N 4.568 124.794 120.400 -0.291 0.000 2.473 579 D HA 0.371 5.009 4.640 -0.004 0.000 0.226 579 D C 0.338 176.353 176.300 -0.475 0.000 1.089 579 D CA 0.112 54.006 54.000 -0.177 0.000 0.883 579 D CB 1.449 42.294 40.800 0.074 0.000 1.029 579 D HN 0.765 nan 8.370 nan 0.000 0.517 580 G N 1.217 109.811 108.800 -0.343 0.000 2.782 580 G HA2 0.292 4.250 3.960 -0.004 0.000 0.201 580 G HA3 0.292 4.250 3.960 -0.004 0.000 0.201 580 G C 0.140 175.022 174.900 -0.029 0.000 1.374 580 G CA -0.720 44.186 45.100 -0.324 0.000 1.039 580 G HN 0.279 nan 8.290 nan 0.000 0.576 581 R N -0.618 119.841 120.500 -0.068 0.000 2.585 581 R HA 0.351 4.688 4.340 -0.004 0.000 0.275 581 R C 1.256 177.635 176.300 0.131 0.000 1.018 581 R CA 1.482 57.641 56.100 0.098 0.000 1.072 581 R CB 0.393 30.720 30.300 0.045 0.000 0.953 581 R HN 1.065 nan 8.270 nan 0.000 0.419 582 G N 1.089 109.969 108.800 0.134 0.000 2.258 582 G HA2 -0.332 3.626 3.960 -0.004 0.000 0.233 582 G HA3 -0.332 3.626 3.960 -0.004 0.000 0.233 582 G C 0.163 175.098 174.900 0.058 0.000 1.006 582 G CA 0.158 45.323 45.100 0.108 0.000 0.620 582 G HN 0.737 nan 8.290 nan 0.000 0.511 583 S N 0.468 116.209 115.700 0.069 0.000 2.600 583 S HA 0.646 5.114 4.470 -0.004 0.000 0.265 583 S C 0.867 175.455 174.600 -0.021 0.000 1.325 583 S CA 0.564 58.797 58.200 0.054 0.000 1.002 583 S CB 1.736 64.998 63.200 0.104 0.000 0.921 583 S HN 1.687 nan 8.310 nan 0.000 0.554 584 G N -0.692 108.045 108.800 -0.105 0.000 2.552 584 G HA2 0.500 4.458 3.960 -0.004 0.000 0.318 584 G HA3 0.500 4.458 3.960 -0.004 0.000 0.318 584 G C -0.955 173.764 174.900 -0.301 0.000 1.240 584 G CA -1.014 43.852 45.100 -0.391 0.000 1.002 584 G HN 0.962 nan 8.290 nan 0.000 0.493 585 Y N -2.392 117.910 120.300 0.002 0.000 4.668 585 Y HA -0.213 4.334 4.550 -0.004 0.000 0.234 585 Y C 1.384 177.288 175.900 0.007 0.000 1.056 585 Y CA 1.051 59.156 58.100 0.007 0.000 2.025 585 Y CB -2.195 36.285 38.460 0.033 0.000 1.613 585 Y HN 0.547 nan 8.280 nan 0.000 0.653 586 Q N -0.129 119.680 119.800 0.015 0.000 2.086 586 Q HA 0.511 4.849 4.340 -0.004 0.000 0.220 586 Q C 0.900 176.771 176.000 -0.215 0.000 0.792 586 Q CA 0.215 56.035 55.803 0.028 0.000 1.062 586 Q CB 1.710 30.468 28.738 0.034 0.000 1.198 586 Q HN 0.585 nan 8.270 nan 0.000 0.466 587 G N 0.728 109.256 108.800 -0.453 0.000 2.629 587 G HA2 -0.171 3.786 3.960 -0.004 0.000 0.686 587 G HA3 -0.171 3.786 3.960 -0.004 0.000 0.686 587 G C -0.539 173.980 174.900 -0.636 0.000 1.232 587 G CA -0.601 43.936 45.100 -0.939 0.000 0.803 587 G HN 0.081 nan 8.290 nan 0.000 0.638 588 D N 0.103 120.088 120.400 -0.692 0.000 2.178 588 D HA -0.055 4.582 4.640 -0.004 0.000 0.202 588 D C 2.278 178.286 176.300 -0.486 0.000 0.974 588 D CA 1.433 54.987 54.000 -0.743 0.000 0.841 588 D CB 0.041 40.333 40.800 -0.847 0.000 0.953 588 D HN 0.512 nan 8.370 nan 0.000 0.478 589 K N 0.866 121.045 120.400 -0.368 0.000 2.074 589 K HA -0.102 4.216 4.320 -0.004 0.000 0.209 589 K C 1.890 178.416 176.600 -0.124 0.000 1.048 589 K CA 1.077 57.244 56.287 -0.201 0.000 0.926 589 K CB -0.376 32.020 32.500 -0.175 0.000 0.713 589 K HN 0.168 nan 8.250 nan 0.000 0.444 590 I N -0.469 120.015 120.570 -0.143 0.000 2.339 590 I HA -0.124 4.044 4.170 -0.004 0.000 0.245 590 I C 2.526 178.639 176.117 -0.008 0.000 1.096 590 I CA 0.946 62.235 61.300 -0.018 0.000 1.408 590 I CB -0.156 37.851 38.000 0.012 0.000 1.092 590 I HN 0.261 nan 8.210 nan 0.000 0.423 591 M N 0.221 119.751 119.600 -0.116 0.000 2.117 591 M HA -0.243 4.235 4.480 -0.004 0.000 0.262 591 M C 1.837 178.199 176.300 0.104 0.000 1.065 591 M CA 2.015 57.281 55.300 -0.055 0.000 1.114 591 M CB -0.325 32.151 32.600 -0.208 0.000 1.361 591 M HN 0.266 nan 8.290 nan 0.000 0.408 592 H N -0.696 118.274 119.070 -0.167 0.000 2.543 592 H HA 0.174 4.728 4.556 -0.004 0.000 0.269 592 H C 1.774 177.119 175.328 0.029 0.000 1.005 592 H CA 0.046 56.006 56.048 -0.146 0.000 1.146 592 H CB 0.130 29.714 29.762 -0.297 0.000 1.353 592 H HN 0.526 nan 8.280 nan 0.000 0.595 593 A N 1.493 124.420 122.820 0.177 0.000 2.019 593 A HA -0.117 4.201 4.320 -0.004 0.000 0.219 593 A C 2.073 179.861 177.584 0.340 0.000 1.164 593 A CA 0.962 53.123 52.037 0.206 0.000 0.644 593 A CB -0.587 18.491 19.000 0.130 0.000 0.805 593 A HN 0.570 nan 8.150 nan 0.000 0.449 594 I N -3.083 117.660 120.570 0.289 0.000 3.875 594 I HA 0.139 4.307 4.170 -0.004 0.000 0.329 594 I C 0.438 176.641 176.117 0.144 0.000 1.295 594 I CA -0.440 60.988 61.300 0.214 0.000 1.129 594 I CB -0.692 37.401 38.000 0.155 0.000 1.008 594 I HN 0.209 nan 8.210 nan 0.000 0.413 595 N N 3.032 121.857 118.700 0.209 0.000 2.292 595 N HA -0.104 4.634 4.740 -0.004 0.000 0.258 595 N C 0.240 175.777 175.510 0.046 0.000 1.261 595 N CA 0.374 53.538 53.050 0.190 0.000 0.845 595 N CB 0.327 38.886 38.487 0.120 0.000 1.064 595 N HN 0.387 nan 8.380 nan 0.000 0.471 596 R N 0.506 121.014 120.500 0.013 0.000 4.023 596 R HA -0.212 4.126 4.340 -0.004 0.000 0.368 596 R C -0.317 175.866 176.300 -0.195 0.000 1.187 596 R CA 0.995 57.060 56.100 -0.059 0.000 1.089 596 R CB -0.877 29.404 30.300 -0.031 0.000 1.574 596 R HN 0.578 nan 8.270 nan 0.000 0.564 597 R N 0.601 120.965 120.500 -0.227 0.000 2.718 597 R HA 0.347 4.685 4.340 -0.004 0.000 0.307 597 R C -0.522 175.717 176.300 -0.102 0.000 1.244 597 R CA -0.194 55.618 56.100 -0.480 0.000 1.348 597 R CB 0.616 30.613 30.300 -0.505 0.000 1.304 597 R HN 0.060 nan 8.270 nan 0.000 0.663 598 L N -0.312 120.946 121.223 0.059 0.000 2.467 598 L HA 0.252 4.590 4.340 -0.004 0.000 0.270 598 L C 1.280 178.382 176.870 0.387 0.000 1.205 598 L CA 0.790 55.700 54.840 0.116 0.000 0.828 598 L CB 0.608 42.510 42.059 -0.261 0.000 1.101 598 L HN 0.721 nan 8.230 nan 0.000 0.479 599 G N 0.805 109.873 108.800 0.447 0.000 2.147 599 G HA2 -0.280 3.677 3.960 -0.004 0.000 0.244 599 G HA3 -0.280 3.677 3.960 -0.004 0.000 0.244 599 G C 0.401 175.400 174.900 0.165 0.000 1.005 599 G CA 0.554 45.879 45.100 0.375 0.000 0.713 599 G HN 0.861 nan 8.290 nan 0.000 0.515 600 T N -3.842 110.763 114.554 0.084 0.000 3.216 600 T HA 0.467 4.815 4.350 -0.004 0.000 0.167 600 T C 1.620 176.321 174.700 0.001 0.000 0.905 600 T CA 0.894 62.952 62.100 -0.071 0.000 1.042 600 T CB -0.011 68.636 68.868 -0.369 0.000 1.787 600 T HN 0.168 nan 8.240 nan 0.000 0.355 601 F N 3.531 123.519 119.950 0.063 0.000 2.161 601 F HA 0.056 4.581 4.527 -0.004 0.000 0.300 601 F C 2.798 178.631 175.800 0.055 0.000 1.089 601 F CA 1.313 59.340 58.000 0.045 0.000 1.282 601 F CB -0.692 38.330 39.000 0.036 0.000 1.010 601 F HN 0.540 nan 8.300 nan 0.000 0.485 602 E N 0.641 121.003 120.200 0.269 0.000 2.204 602 E HA -0.114 4.234 4.350 -0.004 0.000 0.194 602 E C 2.100 178.810 176.600 0.183 0.000 0.989 602 E CA 1.343 57.872 56.400 0.215 0.000 0.824 602 E CB -0.971 28.859 29.700 0.217 0.000 0.756 602 E HN 0.301 nan 8.360 nan 0.000 0.477 603 V N 1.667 121.668 119.914 0.145 0.000 2.346 603 V HA -0.183 3.934 4.120 -0.004 0.000 0.244 603 V C 2.315 178.454 176.094 0.076 0.000 1.037 603 V CA 1.990 64.332 62.300 0.071 0.000 1.029 603 V CB -0.520 31.301 31.823 -0.004 0.000 0.663 603 V HN 0.205 nan 8.190 nan 0.000 0.454 604 E N 0.188 120.448 120.200 0.099 0.000 2.118 604 E HA -0.252 4.096 4.350 -0.004 0.000 0.195 604 E C 1.872 178.510 176.600 0.065 0.000 0.992 604 E CA 1.554 58.008 56.400 0.090 0.000 0.804 604 E CB -0.200 29.583 29.700 0.139 0.000 0.741 604 E HN 0.563 nan 8.360 nan 0.000 0.458 605 D N 0.286 120.741 120.400 0.093 0.000 2.219 605 D HA -0.124 4.514 4.640 -0.004 0.000 0.205 605 D C 1.936 178.254 176.300 0.029 0.000 0.970 605 D CA 0.724 54.760 54.000 0.061 0.000 0.851 605 D CB -0.058 40.822 40.800 0.133 0.000 0.943 605 D HN 0.105 nan 8.370 nan 0.000 0.488 606 Q N 0.027 119.895 119.800 0.113 0.000 2.123 606 Q HA 0.003 4.341 4.340 -0.004 0.000 0.199 606 Q C 2.524 178.572 176.000 0.080 0.000 0.966 606 Q CA 0.436 56.311 55.803 0.120 0.000 0.845 606 Q CB -0.020 28.811 28.738 0.156 0.000 0.907 606 Q HN 0.420 nan 8.270 nan 0.000 0.439 607 I N 0.771 121.402 120.570 0.101 0.000 2.179 607 I HA -0.257 3.911 4.170 -0.004 0.000 0.242 607 I C 2.390 178.476 176.117 -0.053 0.000 1.088 607 I CA 1.161 62.556 61.300 0.159 0.000 1.357 607 I CB -0.190 37.889 38.000 0.132 0.000 1.051 607 I HN 0.136 nan 8.210 nan 0.000 0.409 608 E N 1.540 121.657 120.200 -0.140 0.000 2.110 608 E HA -0.203 4.145 4.350 -0.004 0.000 0.193 608 E C 2.091 178.404 176.600 -0.478 0.000 0.988 608 E CA 1.687 57.937 56.400 -0.251 0.000 0.804 608 E CB -0.212 29.359 29.700 -0.215 0.000 0.745 608 E HN 0.414 nan 8.360 nan 0.000 0.458 609 A N 0.762 123.157 122.820 -0.708 0.000 1.908 609 A HA -0.084 4.234 4.320 -0.004 0.000 0.218 609 A C 2.450 179.370 177.584 -1.107 0.000 1.181 609 A CA 2.224 53.508 52.037 -1.254 0.000 0.627 609 A CB -1.017 17.106 19.000 -1.462 0.000 0.818 609 A HN 0.383 nan 8.150 nan 0.000 0.445 610 A N -0.298 122.255 122.820 -0.445 0.000 1.933 610 A HA -0.149 4.169 4.320 -0.004 0.000 0.218 610 A C 2.241 179.662 177.584 -0.272 0.000 1.175 610 A CA 1.437 53.358 52.037 -0.193 0.000 0.628 610 A CB -0.439 18.470 19.000 -0.152 0.000 0.814 610 A HN 0.565 nan 8.150 nan 0.000 0.444 611 R N -0.720 119.594 120.500 -0.310 0.000 2.081 611 R HA -0.113 4.225 4.340 -0.004 0.000 0.235 611 R C 2.351 178.491 176.300 -0.266 0.000 1.131 611 R CA 1.385 57.335 56.100 -0.250 0.000 0.960 611 R CB -0.314 29.860 30.300 -0.211 0.000 0.856 611 R HN 0.558 nan 8.270 nan 0.000 0.436 612 Q N -0.137 119.426 119.800 -0.396 0.000 2.124 612 Q HA -0.124 4.214 4.340 -0.004 0.000 0.202 612 Q C 2.017 177.848 176.000 -0.282 0.000 0.977 612 Q CA 1.347 56.923 55.803 -0.379 0.000 0.850 612 Q CB -0.135 28.285 28.738 -0.529 0.000 0.901 612 Q HN 0.286 nan 8.270 nan 0.000 0.429 613 F N 1.263 121.051 119.950 -0.270 0.000 2.146 613 F HA -0.130 4.395 4.527 -0.004 0.000 0.298 613 F C 2.722 178.349 175.800 -0.288 0.000 1.096 613 F CA 1.213 59.049 58.000 -0.273 0.000 1.275 613 F CB -1.249 37.639 39.000 -0.187 0.000 1.008 613 F HN 0.060 nan 8.300 nan 0.000 0.480 614 S N -0.038 115.631 115.700 -0.051 0.000 2.399 614 S HA -0.192 4.276 4.470 -0.004 0.000 0.231 614 S C 1.695 176.196 174.600 -0.164 0.000 1.022 614 S CA 0.953 59.085 58.200 -0.113 0.000 0.983 614 S CB -0.674 62.460 63.200 -0.110 0.000 0.803 614 S HN 0.371 nan 8.310 nan 0.000 0.480 615 K N 0.604 120.907 120.400 -0.161 0.000 2.555 615 K HA 0.241 4.559 4.320 -0.004 0.000 0.193 615 K C 1.439 177.926 176.600 -0.188 0.000 1.032 615 K CA 0.439 56.634 56.287 -0.153 0.000 1.004 615 K CB -0.284 32.137 32.500 -0.133 0.000 0.804 615 K HN 0.485 nan 8.250 nan 0.000 0.496 616 M N -1.045 118.376 119.600 -0.299 0.000 2.556 616 M HA 0.060 4.538 4.480 -0.004 0.000 0.245 616 M C 1.228 177.225 176.300 -0.505 0.000 1.128 616 M CA 0.728 55.768 55.300 -0.434 0.000 1.069 616 M CB 0.523 32.712 32.600 -0.685 0.000 1.469 616 M HN 0.439 nan 8.290 nan 0.000 0.494 617 G N 1.293 109.863 108.800 -0.383 0.000 2.241 617 G HA2 -0.300 3.657 3.960 -0.004 0.000 0.244 617 G HA3 -0.300 3.657 3.960 -0.004 0.000 0.244 617 G C 0.394 175.237 174.900 -0.094 0.000 0.998 617 G CA 0.385 45.365 45.100 -0.201 0.000 0.621 617 G HN 0.574 nan 8.290 nan 0.000 0.519 618 F N 0.442 120.452 119.950 0.100 0.000 2.708 618 F HA 0.789 5.314 4.527 -0.004 0.000 0.300 618 F C 0.009 175.927 175.800 0.198 0.000 1.118 618 F CA -1.754 56.342 58.000 0.160 0.000 1.307 618 F CB 0.008 39.167 39.000 0.264 0.000 0.986 618 F HN 0.089 nan 8.300 nan 0.000 0.522 619 V N 1.167 121.169 119.914 0.148 0.000 2.540 619 V HA 0.244 4.362 4.120 -0.004 0.000 0.302 619 V C -0.798 175.315 176.094 0.032 0.000 1.035 619 V CA -0.779 61.606 62.300 0.141 0.000 0.873 619 V CB 1.830 33.684 31.823 0.051 0.000 0.992 619 V HN 0.099 nan 8.190 nan 0.000 0.428 620 D N 3.861 124.266 120.400 0.008 0.000 2.359 620 D HA 0.096 4.734 4.640 -0.004 0.000 0.250 620 D C 1.212 177.474 176.300 -0.064 0.000 1.264 620 D CA 0.076 54.047 54.000 -0.050 0.000 0.911 620 D CB 0.513 41.257 40.800 -0.094 0.000 1.056 620 D HN 0.472 nan 8.370 nan 0.000 0.499 621 N N 3.364 122.028 118.700 -0.059 0.000 2.334 621 N HA -0.174 4.564 4.740 -0.004 0.000 0.187 621 N C 0.913 176.389 175.510 -0.057 0.000 1.016 621 N CA 0.866 53.874 53.050 -0.068 0.000 0.879 621 N CB 0.176 38.621 38.487 -0.070 0.000 0.965 621 N HN 0.551 nan 8.380 nan 0.000 0.438 622 K N 0.499 120.872 120.400 -0.044 0.000 2.459 622 K HA 0.091 4.408 4.320 -0.004 0.000 0.193 622 K C 0.308 176.915 176.600 0.011 0.000 1.030 622 K CA 0.355 56.632 56.287 -0.017 0.000 1.026 622 K CB 0.353 32.843 32.500 -0.016 0.000 0.809 622 K HN 0.052 nan 8.250 nan 0.000 0.504 623 R N 1.194 121.670 120.500 -0.040 0.000 2.681 623 R HA 0.352 4.690 4.340 -0.004 0.000 0.277 623 R C -1.007 175.265 176.300 -0.046 0.000 1.563 623 R CA -0.082 55.980 56.100 -0.064 0.000 1.673 623 R CB 0.628 30.684 30.300 -0.407 0.000 1.258 623 R HN -0.018 nan 8.270 nan 0.000 0.650 624 I N 1.142 121.824 120.570 0.186 0.000 2.389 624 I HA 0.580 4.747 4.170 -0.004 0.000 0.288 624 I C 0.015 176.442 176.117 0.516 0.000 0.999 624 I CA -0.750 60.700 61.300 0.250 0.000 1.129 624 I CB 1.851 39.840 38.000 -0.018 0.000 1.288 624 I HN 0.343 nan 8.210 nan 0.000 0.444 625 A N 7.164 130.386 122.820 0.670 0.000 2.344 625 A HA 0.938 5.256 4.320 -0.004 0.000 0.307 625 A C -1.032 176.897 177.584 0.575 0.000 1.151 625 A CA -0.673 51.707 52.037 0.570 0.000 0.842 625 A CB 2.072 21.253 19.000 0.301 0.000 1.350 625 A HN 0.727 nan 8.150 nan 0.000 0.459 626 I N 0.079 120.886 120.570 0.396 0.000 2.775 626 I HA 0.660 4.828 4.170 -0.004 0.000 0.295 626 I C -2.030 174.327 176.117 0.401 0.000 1.287 626 I CA -0.554 60.915 61.300 0.281 0.000 1.029 626 I CB 1.686 39.559 38.000 -0.211 0.000 1.282 626 I HN 0.954 nan 8.210 nan 0.000 0.426 627 W N 6.871 128.289 121.300 0.197 0.000 3.137 627 W HA 0.857 5.515 4.660 -0.004 0.000 0.324 627 W C -1.518 175.149 176.519 0.247 0.000 1.253 627 W CA -1.020 56.460 57.345 0.224 0.000 1.183 627 W CB 1.069 30.716 29.460 0.311 0.000 1.424 627 W HN 0.839 nan 8.180 nan 0.000 0.566 628 G N 0.763 109.509 108.800 -0.090 0.000 2.632 628 G HA2 0.474 4.432 3.960 -0.004 0.000 0.292 628 G HA3 0.474 4.432 3.960 -0.004 0.000 0.292 628 G C -2.803 172.073 174.900 -0.041 0.000 1.465 628 G CA -0.711 44.205 45.100 -0.307 0.000 0.824 628 G HN 0.614 nan 8.290 nan 0.000 0.509 629 W N 1.119 122.307 121.300 -0.186 0.000 2.736 629 W HA 0.620 5.278 4.660 -0.004 0.000 0.335 629 W C 0.780 177.348 176.519 0.081 0.000 1.059 629 W CA 0.369 57.690 57.345 -0.042 0.000 1.226 629 W CB 1.910 31.341 29.460 -0.049 0.000 1.416 629 W HN 1.254 nan 8.180 nan 0.000 0.505 630 S N 2.528 118.500 115.700 0.454 0.000 4.116 630 S HA -0.427 4.041 4.470 -0.004 0.000 0.623 630 S C 1.099 175.840 174.600 0.235 0.000 1.933 630 S CA 1.730 60.204 58.200 0.456 0.000 4.224 630 S CB -1.849 61.764 63.200 0.687 0.000 0.208 630 S HN 0.742 nan 8.310 nan 0.000 0.527 631 Y N 2.473 122.805 120.300 0.053 0.000 2.256 631 Y HA 0.039 4.587 4.550 -0.004 0.000 0.288 631 Y C 2.347 178.171 175.900 -0.126 0.000 1.155 631 Y CA 2.569 60.584 58.100 -0.141 0.000 1.203 631 Y CB -1.031 37.156 38.460 -0.455 0.000 0.980 631 Y HN 0.534 nan 8.280 nan 0.000 0.530 632 G N -0.949 107.879 108.800 0.046 0.000 2.432 632 G HA2 -0.227 3.731 3.960 -0.004 0.000 0.219 632 G HA3 -0.227 3.731 3.960 -0.004 0.000 0.219 632 G C 1.908 176.850 174.900 0.069 0.000 1.135 632 G CA 0.731 45.883 45.100 0.087 0.000 0.767 632 G HN 0.572 nan 8.290 nan 0.000 0.550 633 G N -0.221 108.631 108.800 0.086 0.000 2.408 633 G HA2 -0.207 3.750 3.960 -0.004 0.000 0.217 633 G HA3 -0.207 3.750 3.960 -0.004 0.000 0.217 633 G C 1.589 176.519 174.900 0.050 0.000 1.150 633 G CA 1.052 46.188 45.100 0.059 0.000 0.776 633 G HN 0.424 nan 8.290 nan 0.000 0.542 634 Y N 1.426 121.638 120.300 -0.147 0.000 2.114 634 Y HA -0.124 4.424 4.550 -0.004 0.000 0.284 634 Y C 2.747 178.561 175.900 -0.144 0.000 1.143 634 Y CA 1.639 59.600 58.100 -0.232 0.000 1.135 634 Y CB -0.507 37.663 38.460 -0.483 0.000 0.980 634 Y HN 0.023 nan 8.280 nan 0.000 0.499 635 V N -0.192 119.600 119.914 -0.204 0.000 2.343 635 V HA -0.328 3.789 4.120 -0.004 0.000 0.247 635 V C 2.333 178.318 176.094 -0.182 0.000 1.051 635 V CA 2.435 64.604 62.300 -0.220 0.000 1.036 635 V CB -1.203 30.641 31.823 0.036 0.000 0.654 635 V HN 0.501 nan 8.190 nan 0.000 0.451 636 T N -0.065 114.438 114.554 -0.086 0.000 2.684 636 T HA -0.198 4.150 4.350 -0.004 0.000 0.267 636 T C 2.126 176.779 174.700 -0.079 0.000 1.036 636 T CA 2.026 64.089 62.100 -0.062 0.000 1.148 636 T CB -0.264 68.643 68.868 0.065 0.000 0.863 636 T HN 0.541 nan 8.240 nan 0.000 0.436 637 S N 1.047 116.730 115.700 -0.028 0.000 2.368 637 S HA -0.004 4.464 4.470 -0.004 0.000 0.224 637 S C 2.131 176.661 174.600 -0.118 0.000 1.029 637 S CA 0.880 59.091 58.200 0.019 0.000 0.988 637 S CB -0.263 62.996 63.200 0.097 0.000 0.838 637 S HN 0.313 nan 8.310 nan 0.000 0.462 638 M N 0.989 120.424 119.600 -0.275 0.000 2.117 638 M HA -0.022 4.456 4.480 -0.004 0.000 0.262 638 M C 2.220 178.373 176.300 -0.245 0.000 1.065 638 M CA 1.075 56.196 55.300 -0.298 0.000 1.114 638 M CB -1.422 30.892 32.600 -0.478 0.000 1.361 638 M HN 0.175 nan 8.290 nan 0.000 0.408 639 V N 0.608 120.371 119.914 -0.253 0.000 2.307 639 V HA -0.234 3.883 4.120 -0.004 0.000 0.245 639 V C 2.499 178.414 176.094 -0.298 0.000 1.045 639 V CA 1.373 63.526 62.300 -0.245 0.000 1.024 639 V CB -0.601 31.018 31.823 -0.339 0.000 0.651 639 V HN 0.399 nan 8.190 nan 0.000 0.449 640 L N 0.359 121.340 121.223 -0.403 0.000 2.191 640 L HA -0.050 4.287 4.340 -0.004 0.000 0.212 640 L C 2.208 178.542 176.870 -0.893 0.000 1.103 640 L CA 1.449 55.952 54.840 -0.562 0.000 0.769 640 L CB -0.678 41.016 42.059 -0.608 0.000 0.908 640 L HN 0.480 nan 8.230 nan 0.000 0.438 641 G N -1.429 106.860 108.800 -0.850 0.000 3.189 641 G HA2 -0.051 3.907 3.960 -0.004 0.000 0.225 641 G HA3 -0.051 3.907 3.960 -0.004 0.000 0.225 641 G C 1.491 176.236 174.900 -0.259 0.000 1.159 641 G CA 0.563 45.264 45.100 -0.664 0.000 0.763 641 G HN 0.423 nan 8.290 nan 0.000 0.549 642 S N -0.602 114.971 115.700 -0.211 0.000 2.496 642 S HA 0.294 4.762 4.470 -0.004 0.000 0.224 642 S C 1.932 176.491 174.600 -0.068 0.000 0.996 642 S CA 1.002 59.141 58.200 -0.102 0.000 0.927 642 S CB -0.124 63.035 63.200 -0.067 0.000 0.774 642 S HN 1.359 nan 8.310 nan 0.000 0.524 643 G N 1.408 110.156 108.800 -0.087 0.000 2.147 643 G HA2 -0.339 3.619 3.960 -0.004 0.000 0.244 643 G HA3 -0.339 3.619 3.960 -0.004 0.000 0.244 643 G C 0.943 175.832 174.900 -0.019 0.000 1.005 643 G CA 0.923 45.994 45.100 -0.048 0.000 0.713 643 G HN 1.266 nan 8.290 nan 0.000 0.515 644 S N -0.546 115.154 115.700 0.000 0.000 2.423 644 S HA 0.285 4.753 4.470 -0.004 0.000 0.231 644 S C 2.574 177.176 174.600 0.004 0.000 1.014 644 S CA 1.722 59.933 58.200 0.018 0.000 0.965 644 S CB -0.295 62.945 63.200 0.067 0.000 0.785 644 S HN 2.424 nan 8.310 nan 0.000 0.495 645 G N -0.045 108.763 108.800 0.015 0.000 2.189 645 G HA2 -0.290 3.668 3.960 -0.004 0.000 0.267 645 G HA3 -0.290 3.668 3.960 -0.004 0.000 0.267 645 G C 0.765 175.646 174.900 -0.031 0.000 0.975 645 G CA 0.468 45.568 45.100 -0.000 0.000 0.644 645 G HN 0.737 nan 8.290 nan 0.000 0.537 646 V N -0.640 119.237 119.914 -0.063 0.000 2.591 646 V HA 0.279 4.397 4.120 -0.004 0.000 0.249 646 V C 1.126 176.961 176.094 -0.432 0.000 1.053 646 V CA 1.390 63.517 62.300 -0.289 0.000 1.068 646 V CB -0.330 31.208 31.823 -0.476 0.000 0.689 646 V HN 0.311 nan 8.190 nan 0.000 0.462 647 F N -0.180 119.788 119.950 0.030 0.000 2.443 647 F HA 0.409 4.933 4.527 -0.004 0.000 0.335 647 F C 1.083 176.930 175.800 0.080 0.000 1.104 647 F CA -0.607 57.437 58.000 0.074 0.000 1.013 647 F CB 1.573 40.620 39.000 0.077 0.000 1.136 647 F HN -0.270 nan 8.300 nan 0.000 0.470 648 K N 1.569 122.136 120.400 0.278 0.000 2.137 648 K HA 0.083 4.401 4.320 -0.004 0.000 0.202 648 K C -0.049 176.679 176.600 0.214 0.000 1.052 648 K CA 0.975 57.386 56.287 0.208 0.000 0.961 648 K CB 0.233 32.857 32.500 0.207 0.000 0.741 648 K HN 0.793 nan 8.250 nan 0.000 0.452 649 c N -2.578 116.182 118.600 0.266 0.000 3.318 649 c HA 0.904 5.472 4.570 -0.004 0.000 0.322 649 c C -0.223 174.078 174.090 0.352 0.000 1.398 649 c CA -0.618 55.884 56.329 0.288 0.000 1.339 649 c CB 1.113 43.719 42.510 0.160 0.000 1.668 649 c HN 0.352 nan 8.230 nan 0.000 0.462 650 G N 0.031 109.106 108.800 0.458 0.000 2.673 650 G HA2 0.716 4.674 3.960 -0.004 0.000 0.292 650 G HA3 0.716 4.674 3.960 -0.004 0.000 0.292 650 G C -1.945 173.197 174.900 0.403 0.000 1.450 650 G CA -0.685 44.659 45.100 0.407 0.000 0.837 650 G HN 0.987 nan 8.290 nan 0.000 0.505 651 I N 0.932 121.707 120.570 0.341 0.000 2.447 651 I HA 0.593 4.761 4.170 -0.004 0.000 0.287 651 I C 0.174 176.424 176.117 0.221 0.000 1.023 651 I CA -0.941 60.451 61.300 0.154 0.000 1.083 651 I CB 2.160 40.247 38.000 0.145 0.000 1.245 651 I HN 0.633 nan 8.210 nan 0.000 0.434 652 A N 6.620 129.464 122.820 0.039 0.000 2.287 652 A HA 0.779 5.097 4.320 -0.004 0.000 0.317 652 A C -0.694 176.816 177.584 -0.125 0.000 1.220 652 A CA -0.500 51.566 52.037 0.049 0.000 0.835 652 A CB 1.130 20.217 19.000 0.145 0.000 1.180 652 A HN 0.448 nan 8.150 nan 0.000 0.500 653 V N 2.123 121.918 119.914 -0.197 0.000 2.417 653 V HA 0.572 4.690 4.120 -0.004 0.000 0.291 653 V C 0.909 176.627 176.094 -0.627 0.000 1.024 653 V CA 0.312 62.278 62.300 -0.557 0.000 0.861 653 V CB 0.817 32.005 31.823 -1.058 0.000 0.985 653 V HN 2.095 nan 8.190 nan 0.000 0.436 654 A N 5.643 128.065 122.820 -0.662 0.000 2.415 654 A HA -0.102 4.216 4.320 -0.004 0.000 0.292 654 A C -1.723 175.706 177.584 -0.260 0.000 1.452 654 A CA 0.410 51.955 52.037 -0.820 0.000 0.750 654 A CB -1.538 17.122 19.000 -0.567 0.000 1.099 654 A HN 0.621 nan 8.150 nan 0.000 0.391 655 P HA 0.413 nan 4.420 nan 0.000 0.277 655 P C 0.222 177.497 177.300 -0.041 0.000 1.240 655 P CA -0.178 62.908 63.100 -0.023 0.000 0.798 655 P CB 1.374 33.084 31.700 0.017 0.000 0.979 656 V N 2.382 122.180 119.914 -0.193 0.000 2.775 656 V HA 0.085 4.203 4.120 -0.004 0.000 0.299 656 V C 1.720 177.624 176.094 -0.317 0.000 1.062 656 V CA 1.004 63.036 62.300 -0.447 0.000 1.063 656 V CB 0.886 32.054 31.823 -1.091 0.000 0.994 656 V HN 0.857 nan 8.190 nan 0.000 0.483 657 S N 3.321 118.850 115.700 -0.284 0.000 2.593 657 S HA 0.256 4.723 4.470 -0.004 0.000 0.235 657 S C 0.411 174.846 174.600 -0.275 0.000 1.059 657 S CA -0.275 57.835 58.200 -0.149 0.000 0.953 657 S CB 0.333 63.511 63.200 -0.036 0.000 0.897 657 S HN 0.850 nan 8.310 nan 0.000 0.507 658 R N -1.039 119.171 120.500 -0.482 0.000 2.522 658 R HA 0.445 4.783 4.340 -0.004 0.000 0.273 658 R C -0.905 175.055 176.300 -0.566 0.000 1.133 658 R CA -0.770 54.994 56.100 -0.560 0.000 0.969 658 R CB -0.326 29.581 30.300 -0.654 0.000 1.235 658 R HN 0.118 nan 8.270 nan 0.000 0.433 659 W N 1.692 122.899 121.300 -0.154 0.000 2.364 659 W HA -0.063 4.594 4.660 -0.004 0.000 0.281 659 W C 1.096 177.741 176.519 0.209 0.000 1.219 659 W CA 1.076 58.424 57.345 0.005 0.000 1.220 659 W CB 0.232 29.614 29.460 -0.130 0.000 1.127 659 W HN 0.719 nan 8.180 nan 0.000 0.556 660 E N -1.033 119.331 120.200 0.273 0.000 2.409 660 E HA -0.186 4.161 4.350 -0.004 0.000 0.198 660 E C 1.248 177.975 176.600 0.213 0.000 1.024 660 E CA 0.719 57.223 56.400 0.173 0.000 0.861 660 E CB -0.215 29.478 29.700 -0.012 0.000 0.788 660 E HN 0.381 nan 8.360 nan 0.000 0.521 661 Y N -1.460 118.923 120.300 0.140 0.000 2.517 661 Y HA 0.051 4.598 4.550 -0.004 0.000 0.281 661 Y C 0.753 176.748 175.900 0.158 0.000 1.125 661 Y CA -0.288 57.865 58.100 0.089 0.000 1.283 661 Y CB -0.379 38.076 38.460 -0.009 0.000 1.042 661 Y HN 0.021 nan 8.280 nan 0.000 0.547 662 Y N 1.957 122.406 120.300 0.247 0.000 2.340 662 Y HA 0.276 4.823 4.550 -0.004 0.000 0.327 662 Y C 0.347 176.470 175.900 0.372 0.000 1.321 662 Y CA -2.048 56.211 58.100 0.266 0.000 1.433 662 Y CB 0.307 38.958 38.460 0.318 0.000 1.373 662 Y HN 0.195 nan 8.280 nan 0.000 0.538 663 D N -0.603 119.509 120.400 -0.479 0.000 2.382 663 D HA 0.101 4.738 4.640 -0.004 0.000 0.240 663 D C 0.948 177.232 176.300 -0.025 0.000 1.146 663 D CA 0.355 54.168 54.000 -0.311 0.000 0.897 663 D CB 0.902 41.280 40.800 -0.704 0.000 1.197 663 D HN 0.480 nan 8.370 nan 0.000 0.432 664 S N 1.193 116.892 115.700 -0.002 0.000 2.353 664 S HA -0.232 4.236 4.470 -0.004 0.000 0.222 664 S C 1.929 176.560 174.600 0.051 0.000 1.035 664 S CA 1.221 59.467 58.200 0.077 0.000 1.025 664 S CB -1.037 62.214 63.200 0.086 0.000 0.902 664 S HN 0.436 nan 8.310 nan 0.000 0.440 665 V N 0.852 120.733 119.914 -0.055 0.000 2.287 665 V HA -0.184 3.934 4.120 -0.004 0.000 0.248 665 V C 2.319 178.336 176.094 -0.129 0.000 1.053 665 V CA 2.291 64.471 62.300 -0.199 0.000 1.027 665 V CB -1.100 30.444 31.823 -0.465 0.000 0.646 665 V HN 0.613 nan 8.190 nan 0.000 0.447 666 Y N 1.283 121.525 120.300 -0.096 0.000 2.153 666 Y HA -0.200 4.348 4.550 -0.004 0.000 0.289 666 Y C 2.739 178.659 175.900 0.034 0.000 1.127 666 Y CA 2.249 60.373 58.100 0.039 0.000 1.131 666 Y CB -0.629 38.044 38.460 0.354 0.000 0.995 666 Y HN 0.216 nan 8.280 nan 0.000 0.505 667 T N 0.519 115.322 114.554 0.415 0.000 2.652 667 T HA -0.223 4.125 4.350 -0.004 0.000 0.267 667 T C 1.567 176.259 174.700 -0.014 0.000 1.039 667 T CA 2.021 64.281 62.100 0.267 0.000 1.153 667 T CB -0.364 68.804 68.868 0.499 0.000 0.863 667 T HN 0.450 nan 8.240 nan 0.000 0.428 668 E N 0.519 120.736 120.200 0.029 0.000 2.204 668 E HA -0.107 4.241 4.350 -0.004 0.000 0.195 668 E C 2.372 178.860 176.600 -0.187 0.000 0.990 668 E CA 0.454 56.857 56.400 0.004 0.000 0.821 668 E CB -0.133 29.612 29.700 0.075 0.000 0.750 668 E HN 0.344 nan 8.360 nan 0.000 0.477 669 R N 0.165 120.394 120.500 -0.451 0.000 2.091 669 R HA -0.190 4.148 4.340 -0.004 0.000 0.238 669 R C 1.296 177.080 176.300 -0.860 0.000 1.136 669 R CA 1.599 57.245 56.100 -0.758 0.000 0.959 669 R CB 0.000 29.506 30.300 -1.324 0.000 0.856 669 R HN 0.252 nan 8.270 nan 0.000 0.437 670 Y N -2.026 117.974 120.300 -0.499 0.000 2.507 670 Y HA 0.204 4.751 4.550 -0.004 0.000 0.263 670 Y C 1.734 177.459 175.900 -0.293 0.000 1.093 670 Y CA 0.085 57.896 58.100 -0.482 0.000 1.285 670 Y CB 0.419 38.466 38.460 -0.689 0.000 1.115 670 Y HN -0.050 nan 8.280 nan 0.000 0.533 671 M N -0.444 119.053 119.600 -0.171 0.000 2.308 671 M HA 0.370 4.847 4.480 -0.004 0.000 0.269 671 M C 1.070 177.392 176.300 0.037 0.000 1.040 671 M CA 0.745 55.945 55.300 -0.167 0.000 1.024 671 M CB -0.205 32.090 32.600 -0.508 0.000 1.465 671 M HN 0.338 nan 8.290 nan 0.000 0.517 672 G N 2.034 110.869 108.800 0.057 0.000 2.598 672 G HA2 -0.250 3.707 3.960 -0.004 0.000 0.244 672 G HA3 -0.250 3.707 3.960 -0.004 0.000 0.244 672 G C -0.521 174.516 174.900 0.228 0.000 1.302 672 G CA -0.701 44.470 45.100 0.118 0.000 0.903 672 G HN 0.354 nan 8.290 nan 0.000 0.575 673 L N 2.081 123.407 121.223 0.172 0.000 2.325 673 L HA 0.450 4.788 4.340 -0.004 0.000 0.279 673 L C -1.480 175.387 176.870 -0.006 0.000 1.054 673 L CA -1.831 53.064 54.840 0.092 0.000 0.804 673 L CB 2.040 44.117 42.059 0.029 0.000 1.200 673 L HN 0.447 nan 8.230 nan 0.000 0.436 674 P HA 0.070 nan 4.420 nan 0.000 0.220 674 P C -0.629 176.522 177.300 -0.249 0.000 1.806 674 P CA -0.085 62.610 63.100 -0.676 0.000 0.976 674 P CB -0.378 30.611 31.700 -1.185 0.000 1.952 675 T N -2.494 112.003 114.554 -0.095 0.000 2.916 675 T HA 0.459 4.807 4.350 -0.004 0.000 0.292 675 T C -2.067 172.632 174.700 -0.002 0.000 1.055 675 T CA -2.382 59.691 62.100 -0.045 0.000 1.009 675 T CB 2.049 70.900 68.868 -0.028 0.000 1.118 675 T HN -0.205 nan 8.240 nan 0.000 0.497 676 P HA -0.092 nan 4.420 nan 0.000 0.218 676 P C 0.732 178.046 177.300 0.023 0.000 1.148 676 P CA 1.239 64.349 63.100 0.017 0.000 0.822 676 P CB 0.153 31.860 31.700 0.011 0.000 0.784 677 E N -0.884 119.326 120.200 0.016 0.000 2.358 677 E HA -0.070 4.278 4.350 -0.004 0.000 0.195 677 E C 1.485 178.102 176.600 0.027 0.000 1.010 677 E CA 0.729 57.139 56.400 0.018 0.000 0.856 677 E CB -0.366 29.340 29.700 0.009 0.000 0.795 677 E HN 0.335 nan 8.360 nan 0.000 0.504 678 D N -0.761 119.662 120.400 0.039 0.000 3.012 678 D HA 0.069 4.707 4.640 -0.004 0.000 0.230 678 D C 0.273 176.628 176.300 0.092 0.000 1.477 678 D CA 0.150 54.185 54.000 0.058 0.000 1.329 678 D CB 0.029 40.866 40.800 0.061 0.000 0.951 678 D HN -0.040 nan 8.370 nan 0.000 0.224 679 N N -0.024 118.765 118.700 0.148 0.000 2.299 679 N HA 0.088 4.826 4.740 -0.004 0.000 0.246 679 N C 1.021 176.724 175.510 0.322 0.000 1.254 679 N CA -0.088 53.097 53.050 0.225 0.000 0.879 679 N CB 0.216 38.857 38.487 0.256 0.000 1.214 679 N HN 0.086 nan 8.380 nan 0.000 0.510 680 L N 0.507 121.842 121.223 0.187 0.000 2.081 680 L HA -0.139 4.199 4.340 -0.004 0.000 0.212 680 L C 1.184 178.160 176.870 0.177 0.000 1.080 680 L CA 1.974 56.898 54.840 0.140 0.000 0.754 680 L CB -0.388 41.686 42.059 0.024 0.000 0.893 680 L HN 0.142 nan 8.230 nan 0.000 0.433 681 D N -1.555 118.931 120.400 0.145 0.000 2.123 681 D HA -0.246 4.392 4.640 -0.004 0.000 0.196 681 D C 2.066 178.455 176.300 0.148 0.000 0.992 681 D CA 1.689 55.763 54.000 0.122 0.000 0.833 681 D CB -0.185 40.676 40.800 0.102 0.000 0.954 681 D HN 0.577 nan 8.370 nan 0.000 0.455 682 H N -0.840 118.296 119.070 0.108 0.000 2.428 682 H HA -0.061 4.492 4.556 -0.004 0.000 0.296 682 H C 1.700 177.090 175.328 0.104 0.000 1.062 682 H CA 1.203 57.292 56.048 0.069 0.000 1.350 682 H CB -0.311 29.456 29.762 0.007 0.000 1.403 682 H HN 0.148 nan 8.280 nan 0.000 0.533 683 Y N 0.295 120.558 120.300 -0.061 0.000 2.165 683 Y HA -0.175 4.373 4.550 -0.004 0.000 0.286 683 Y C 2.363 178.217 175.900 -0.075 0.000 1.155 683 Y CA 1.511 59.587 58.100 -0.039 0.000 1.164 683 Y CB 0.139 38.617 38.460 0.029 0.000 0.978 683 Y HN 0.121 nan 8.280 nan 0.000 0.513 684 R N -0.329 120.238 120.500 0.112 0.000 2.193 684 R HA -0.074 4.264 4.340 -0.004 0.000 0.213 684 R C 1.501 177.795 176.300 -0.010 0.000 1.055 684 R CA 0.731 56.853 56.100 0.036 0.000 0.995 684 R CB -0.849 29.473 30.300 0.037 0.000 0.893 684 R HN 0.488 nan 8.270 nan 0.000 0.459 685 N N 0.805 119.480 118.700 -0.042 0.000 2.422 685 N HA -0.056 4.682 4.740 -0.004 0.000 0.181 685 N C 0.085 175.546 175.510 -0.082 0.000 1.080 685 N CA 0.415 53.440 53.050 -0.042 0.000 0.893 685 N CB 0.368 38.863 38.487 0.015 0.000 0.973 685 N HN 0.087 nan 8.380 nan 0.000 0.456 686 S N -0.245 115.360 115.700 -0.159 0.000 2.561 686 S HA 0.072 4.540 4.470 -0.004 0.000 0.245 686 S C 0.438 175.088 174.600 0.084 0.000 1.001 686 S CA -0.789 57.382 58.200 -0.049 0.000 1.002 686 S CB -0.028 63.087 63.200 -0.141 0.000 0.805 686 S HN 0.161 nan 8.310 nan 0.000 0.458 687 T N -1.704 112.855 114.554 0.008 0.000 2.922 687 T HA 0.524 4.872 4.350 -0.004 0.000 0.285 687 T C 1.281 175.979 174.700 -0.002 0.000 1.005 687 T CA -0.653 61.438 62.100 -0.015 0.000 1.061 687 T CB 1.373 70.195 68.868 -0.076 0.000 1.007 687 T HN -0.045 nan 8.240 nan 0.000 0.502 688 V N 1.746 121.653 119.914 -0.011 0.000 2.453 688 V HA -0.111 4.007 4.120 -0.004 0.000 0.247 688 V C 2.617 178.677 176.094 -0.058 0.000 1.048 688 V CA 1.538 63.820 62.300 -0.030 0.000 1.049 688 V CB -0.940 30.856 31.823 -0.045 0.000 0.672 688 V HN 0.817 nan 8.190 nan 0.000 0.457 689 M N 1.204 120.756 119.600 -0.081 0.000 2.144 689 M HA -0.170 4.307 4.480 -0.004 0.000 0.260 689 M C 2.325 178.591 176.300 -0.057 0.000 1.067 689 M CA 2.190 57.434 55.300 -0.094 0.000 1.095 689 M CB -0.996 31.561 32.600 -0.071 0.000 1.365 689 M HN 0.532 nan 8.290 nan 0.000 0.406 690 S N -0.370 115.312 115.700 -0.031 0.000 2.507 690 S HA -0.064 4.404 4.470 -0.004 0.000 0.235 690 S C 1.686 176.292 174.600 0.010 0.000 0.988 690 S CA 0.632 58.825 58.200 -0.011 0.000 0.944 690 S CB -0.454 62.741 63.200 -0.008 0.000 0.762 690 S HN 0.545 nan 8.310 nan 0.000 0.526 691 R N 0.404 120.924 120.500 0.033 0.000 2.427 691 R HA 0.452 4.790 4.340 -0.004 0.000 0.262 691 R C 2.120 178.531 176.300 0.186 0.000 0.943 691 R CA 0.411 56.564 56.100 0.089 0.000 1.081 691 R CB -0.205 30.154 30.300 0.097 0.000 1.166 691 R HN 0.461 nan 8.270 nan 0.000 0.534 692 A N 1.791 124.653 122.820 0.070 0.000 1.903 692 A HA -0.306 4.012 4.320 -0.004 0.000 0.219 692 A C 2.059 179.722 177.584 0.132 0.000 1.191 692 A CA 2.036 54.079 52.037 0.009 0.000 0.638 692 A CB -0.319 18.621 19.000 -0.100 0.000 0.823 692 A HN 0.287 nan 8.150 nan 0.000 0.451 693 E N 0.489 120.742 120.200 0.088 0.000 2.130 693 E HA -0.194 4.154 4.350 -0.004 0.000 0.196 693 E C 1.618 178.279 176.600 0.101 0.000 0.998 693 E CA 1.661 58.110 56.400 0.080 0.000 0.806 693 E CB -0.275 29.454 29.700 0.048 0.000 0.738 693 E HN 0.597 nan 8.360 nan 0.000 0.459 694 N N -0.534 118.228 118.700 0.103 0.000 2.520 694 N HA -0.099 4.639 4.740 -0.004 0.000 0.185 694 N C 0.815 176.318 175.510 -0.013 0.000 1.068 694 N CA 0.537 53.600 53.050 0.022 0.000 0.911 694 N CB -0.208 38.245 38.487 -0.057 0.000 0.961 694 N HN 0.265 nan 8.380 nan 0.000 0.446 695 F N 1.231 121.137 119.950 -0.073 0.000 2.699 695 F HA 0.052 4.577 4.527 -0.004 0.000 0.298 695 F C 1.897 177.700 175.800 0.005 0.000 1.154 695 F CA 0.460 58.412 58.000 -0.080 0.000 1.457 695 F CB 0.167 39.066 39.000 -0.168 0.000 1.106 695 F HN -0.065 nan 8.300 nan 0.000 0.585 696 K N 0.027 120.523 120.400 0.161 0.000 2.362 696 K HA -0.146 4.172 4.320 -0.004 0.000 0.200 696 K C 1.475 178.132 176.600 0.095 0.000 1.046 696 K CA 0.869 57.233 56.287 0.128 0.000 0.952 696 K CB -0.143 32.414 32.500 0.095 0.000 0.753 696 K HN 0.421 nan 8.250 nan 0.000 0.466 697 Q N 0.370 120.204 119.800 0.057 0.000 2.403 697 Q HA 0.025 4.362 4.340 -0.004 0.000 0.203 697 Q C 0.375 176.408 176.000 0.054 0.000 0.932 697 Q CA 0.095 55.922 55.803 0.040 0.000 0.945 697 Q CB 0.593 29.335 28.738 0.007 0.000 1.045 697 Q HN 0.136 nan 8.270 nan 0.000 0.511 698 V N -3.566 116.394 119.914 0.077 0.000 3.167 698 V HA 0.479 4.597 4.120 -0.004 0.000 0.310 698 V C -1.354 174.873 176.094 0.222 0.000 1.207 698 V CA -1.306 61.067 62.300 0.121 0.000 1.059 698 V CB 2.330 34.191 31.823 0.064 0.000 1.079 698 V HN -0.065 nan 8.190 nan 0.000 0.446 699 E N 1.123 121.488 120.200 0.275 0.000 2.134 699 E HA 0.492 4.840 4.350 -0.004 0.000 0.278 699 E C -1.934 175.036 176.600 0.617 0.000 0.959 699 E CA -0.365 56.275 56.400 0.401 0.000 0.783 699 E CB 1.828 31.697 29.700 0.281 0.000 1.095 699 E HN 0.676 nan 8.360 nan 0.000 0.399 700 Y N 3.395 123.960 120.300 0.441 0.000 2.425 700 Y HA 0.467 5.015 4.550 -0.004 0.000 0.344 700 Y C -1.715 174.257 175.900 0.121 0.000 0.969 700 Y CA -1.431 56.861 58.100 0.321 0.000 1.052 700 Y CB 1.113 39.795 38.460 0.371 0.000 1.215 700 Y HN 0.418 nan 8.280 nan 0.000 0.451 701 L N 7.574 128.502 121.223 -0.491 0.000 2.349 701 L HA 0.624 4.962 4.340 -0.004 0.000 0.278 701 L C -2.213 174.206 176.870 -0.752 0.000 0.996 701 L CA -0.829 53.586 54.840 -0.708 0.000 0.825 701 L CB 1.365 42.706 42.059 -1.196 0.000 1.243 701 L HN 0.650 nan 8.230 nan 0.000 0.412 702 L N 6.581 127.458 121.223 -0.577 0.000 2.313 702 L HA 0.711 5.049 4.340 -0.004 0.000 0.283 702 L C -1.175 175.569 176.870 -0.211 0.000 1.013 702 L CA -0.044 54.503 54.840 -0.489 0.000 0.816 702 L CB 1.278 43.091 42.059 -0.409 0.000 1.236 702 L HN 0.602 nan 8.230 nan 0.000 0.419 703 I N 4.391 124.850 120.570 -0.185 0.000 2.582 703 I HA 0.467 4.634 4.170 -0.004 0.000 0.292 703 I C -1.213 174.882 176.117 -0.038 0.000 1.066 703 I CA -0.680 60.565 61.300 -0.091 0.000 1.053 703 I CB 2.112 40.020 38.000 -0.154 0.000 1.241 703 I HN 0.680 nan 8.210 nan 0.000 0.421 704 H N 2.145 121.262 119.070 0.078 0.000 3.085 704 H HA 0.504 5.057 4.556 -0.004 0.000 0.356 704 H C -0.392 175.161 175.328 0.375 0.000 1.178 704 H CA -0.575 55.570 56.048 0.161 0.000 1.214 704 H CB 2.049 31.857 29.762 0.077 0.000 1.881 704 H HN 0.740 nan 8.280 nan 0.000 0.538 705 G N 0.786 109.918 108.800 0.554 0.000 2.372 705 G HA2 0.226 4.184 3.960 -0.004 0.000 0.283 705 G HA3 0.226 4.184 3.960 -0.004 0.000 0.283 705 G C 1.127 176.308 174.900 0.468 0.000 1.177 705 G CA 0.107 45.495 45.100 0.480 0.000 0.842 705 G HN 0.749 nan 8.290 nan 0.000 0.503 706 T N -0.774 113.918 114.554 0.231 0.000 2.962 706 T HA 0.071 4.419 4.350 -0.004 0.000 0.270 706 T C 1.653 176.346 174.700 -0.013 0.000 1.088 706 T CA 1.301 63.363 62.100 -0.064 0.000 1.127 706 T CB 0.144 68.895 68.868 -0.195 0.000 0.883 706 T HN 0.702 nan 8.240 nan 0.000 0.493 707 A N 1.033 123.914 122.820 0.101 0.000 2.708 707 A HA 0.320 4.638 4.320 -0.004 0.000 0.293 707 A C 0.338 177.879 177.584 -0.072 0.000 1.303 707 A CA -0.525 51.529 52.037 0.028 0.000 0.949 707 A CB -0.270 19.023 19.000 0.488 0.000 1.121 707 A HN 0.380 nan 8.150 nan 0.000 0.542 708 D N 1.509 121.891 120.400 -0.030 0.000 2.344 708 D HA 0.004 4.641 4.640 -0.004 0.000 0.253 708 D C 0.323 176.584 176.300 -0.064 0.000 1.255 708 D CA 0.073 54.154 54.000 0.135 0.000 0.894 708 D CB 0.718 41.747 40.800 0.381 0.000 1.067 708 D HN 0.563 nan 8.370 nan 0.000 0.492 709 D N 2.399 122.816 120.400 0.029 0.000 2.347 709 D HA -0.134 4.504 4.640 -0.004 0.000 0.213 709 D C 0.910 177.176 176.300 -0.057 0.000 0.985 709 D CA -0.055 53.920 54.000 -0.041 0.000 0.879 709 D CB 0.468 41.189 40.800 -0.130 0.000 0.919 709 D HN 0.236 nan 8.370 nan 0.000 0.526 710 N N 0.763 119.514 118.700 0.084 0.000 2.418 710 N HA -0.040 4.698 4.740 -0.004 0.000 0.199 710 N C -0.088 175.343 175.510 -0.133 0.000 1.044 710 N CA 0.462 53.593 53.050 0.135 0.000 0.943 710 N CB 0.574 39.151 38.487 0.150 0.000 1.154 710 N HN -0.098 nan 8.380 nan 0.000 0.467 711 V N 3.971 123.799 119.914 -0.144 0.000 2.304 711 V HA 0.199 4.316 4.120 -0.004 0.000 0.269 711 V C -0.629 175.476 176.094 0.018 0.000 1.036 711 V CA -0.686 61.571 62.300 -0.070 0.000 0.840 711 V CB 0.222 32.068 31.823 0.038 0.000 1.036 711 V HN 0.304 nan 8.190 nan 0.000 0.466 712 H N 3.642 122.675 119.070 -0.062 0.000 2.972 712 H HA -0.004 4.550 4.556 -0.004 0.000 0.343 712 H C 0.881 176.047 175.328 -0.270 0.000 1.054 712 H CA -0.157 55.779 56.048 -0.188 0.000 1.412 712 H CB 0.508 30.084 29.762 -0.311 0.000 1.385 712 H HN 0.635 nan 8.280 nan 0.000 0.600 713 F N 2.209 121.956 119.950 -0.338 0.000 2.147 713 F HA -0.310 4.215 4.527 -0.004 0.000 0.301 713 F C 2.594 178.107 175.800 -0.478 0.000 1.084 713 F CA 2.051 59.660 58.000 -0.652 0.000 1.268 713 F CB -0.104 38.697 39.000 -0.331 0.000 1.009 713 F HN 0.681 nan 8.300 nan 0.000 0.486 714 Q N 0.156 119.808 119.800 -0.246 0.000 2.156 714 Q HA -0.332 4.006 4.340 -0.004 0.000 0.211 714 Q C 2.065 177.810 176.000 -0.425 0.000 0.995 714 Q CA 2.381 57.988 55.803 -0.327 0.000 0.877 714 Q CB -0.422 28.098 28.738 -0.363 0.000 0.920 714 Q HN 0.615 nan 8.270 nan 0.000 0.416 715 Q N -0.363 119.224 119.800 -0.355 0.000 2.084 715 Q HA -0.112 4.226 4.340 -0.004 0.000 0.202 715 Q C 2.233 178.114 176.000 -0.198 0.000 0.978 715 Q CA 1.721 57.434 55.803 -0.151 0.000 0.844 715 Q CB -0.040 28.691 28.738 -0.012 0.000 0.898 715 Q HN 0.345 nan 8.270 nan 0.000 0.426 716 S N 0.492 115.953 115.700 -0.399 0.000 2.436 716 S HA 0.025 4.493 4.470 -0.004 0.000 0.228 716 S C 1.977 176.318 174.600 -0.431 0.000 1.014 716 S CA 0.608 58.594 58.200 -0.356 0.000 0.950 716 S CB -0.004 62.998 63.200 -0.331 0.000 0.784 716 S HN 0.442 nan 8.310 nan 0.000 0.504 717 A N 1.419 123.889 122.820 -0.582 0.000 1.933 717 A HA -0.132 4.186 4.320 -0.004 0.000 0.218 717 A C 2.120 179.596 177.584 -0.180 0.000 1.175 717 A CA 1.136 52.965 52.037 -0.346 0.000 0.628 717 A CB -0.364 18.491 19.000 -0.241 0.000 0.814 717 A HN 0.364 nan 8.150 nan 0.000 0.444 718 Q N -0.624 119.078 119.800 -0.164 0.000 2.187 718 Q HA 0.044 4.382 4.340 -0.004 0.000 0.199 718 Q C 2.090 178.032 176.000 -0.097 0.000 0.957 718 Q CA 0.857 56.617 55.803 -0.071 0.000 0.857 718 Q CB -0.245 28.523 28.738 0.050 0.000 0.929 718 Q HN 0.775 nan 8.270 nan 0.000 0.453 719 I N 1.172 121.657 120.570 -0.143 0.000 2.202 719 I HA -0.269 3.898 4.170 -0.004 0.000 0.242 719 I C 2.541 178.488 176.117 -0.283 0.000 1.091 719 I CA 1.438 62.610 61.300 -0.213 0.000 1.368 719 I CB -0.343 37.535 38.000 -0.202 0.000 1.058 719 I HN 0.176 nan 8.210 nan 0.000 0.410 720 S N 0.798 116.362 115.700 -0.226 0.000 2.368 720 S HA -0.272 4.196 4.470 -0.004 0.000 0.225 720 S C 2.037 176.607 174.600 -0.050 0.000 1.030 720 S CA 1.405 59.506 58.200 -0.166 0.000 0.999 720 S CB -0.433 62.827 63.200 0.100 0.000 0.844 720 S HN 0.374 nan 8.310 nan 0.000 0.459 721 K N 1.622 121.996 120.400 -0.044 0.000 2.097 721 K HA 0.072 4.390 4.320 -0.004 0.000 0.206 721 K C 2.256 178.835 176.600 -0.035 0.000 1.049 721 K CA 1.068 57.347 56.287 -0.012 0.000 0.933 721 K CB -0.621 31.870 32.500 -0.016 0.000 0.717 721 K HN 0.454 nan 8.250 nan 0.000 0.442 722 A N 0.971 123.738 122.820 -0.087 0.000 1.930 722 A HA -0.073 4.245 4.320 -0.004 0.000 0.217 722 A C 2.043 179.556 177.584 -0.117 0.000 1.175 722 A CA 1.091 53.069 52.037 -0.097 0.000 0.627 722 A CB -0.478 18.445 19.000 -0.128 0.000 0.815 722 A HN 0.300 nan 8.150 nan 0.000 0.443 723 L N -0.673 120.432 121.223 -0.196 0.000 2.056 723 L HA -0.125 4.213 4.340 -0.004 0.000 0.207 723 L C 2.498 179.387 176.870 0.031 0.000 1.078 723 L CA 0.897 55.630 54.840 -0.179 0.000 0.749 723 L CB -0.587 41.190 42.059 -0.469 0.000 0.901 723 L HN 0.227 nan 8.230 nan 0.000 0.433 724 V N -0.149 119.824 119.914 0.098 0.000 2.343 724 V HA -0.290 3.828 4.120 -0.004 0.000 0.247 724 V C 2.012 178.146 176.094 0.067 0.000 1.051 724 V CA 1.860 64.239 62.300 0.133 0.000 1.036 724 V CB -0.530 31.369 31.823 0.128 0.000 0.654 724 V HN 0.423 nan 8.190 nan 0.000 0.451 725 D N 0.266 120.685 120.400 0.033 0.000 2.263 725 D HA -0.103 4.535 4.640 -0.004 0.000 0.208 725 D C 1.737 178.051 176.300 0.023 0.000 0.971 725 D CA 1.632 55.645 54.000 0.021 0.000 0.867 725 D CB -0.055 40.749 40.800 0.006 0.000 0.929 725 D HN 0.567 nan 8.370 nan 0.000 0.492 726 V N -3.942 115.986 119.914 0.024 0.000 3.483 726 V HA 0.506 4.624 4.120 -0.004 0.000 0.301 726 V C 1.204 177.328 176.094 0.050 0.000 1.389 726 V CA 0.225 62.543 62.300 0.030 0.000 1.101 726 V CB -0.040 31.796 31.823 0.023 0.000 0.971 726 V HN 0.124 nan 8.190 nan 0.000 0.434 727 G N 0.549 109.386 108.800 0.063 0.000 2.225 727 G HA2 -0.183 3.775 3.960 -0.004 0.000 0.264 727 G HA3 -0.183 3.775 3.960 -0.004 0.000 0.264 727 G C -0.102 174.861 174.900 0.106 0.000 1.060 727 G CA 0.234 45.381 45.100 0.078 0.000 0.833 727 G HN 0.837 nan 8.290 nan 0.000 0.498 728 V N 0.425 120.423 119.914 0.140 0.000 2.394 728 V HA 0.465 4.583 4.120 -0.004 0.000 0.282 728 V C 0.412 176.693 176.094 0.312 0.000 1.031 728 V CA -0.515 61.901 62.300 0.193 0.000 0.881 728 V CB 1.744 33.667 31.823 0.167 0.000 0.982 728 V HN 0.443 nan 8.190 nan 0.000 0.451 729 D N 3.975 124.533 120.400 0.264 0.000 2.264 729 D HA 0.619 5.257 4.640 -0.004 0.000 0.249 729 D C -0.601 175.939 176.300 0.399 0.000 1.070 729 D CA 0.145 54.289 54.000 0.241 0.000 0.912 729 D CB 0.848 41.722 40.800 0.123 0.000 1.193 729 D HN 0.350 nan 8.370 nan 0.000 0.427 730 F N -0.415 119.616 119.950 0.135 0.000 2.779 730 F HA 0.456 4.981 4.527 -0.004 0.000 0.316 730 F C -1.449 174.411 175.800 0.101 0.000 1.164 730 F CA -1.135 56.969 58.000 0.173 0.000 0.924 730 F CB 0.716 39.858 39.000 0.237 0.000 1.348 730 F HN 0.093 nan 8.300 nan 0.000 0.467 731 Q N 1.280 121.157 119.800 0.128 0.000 2.235 731 Q HA 0.818 5.155 4.340 -0.004 0.000 0.256 731 Q C -0.841 175.146 176.000 -0.022 0.000 0.951 731 Q CA -0.791 54.991 55.803 -0.034 0.000 0.890 731 Q CB 2.178 30.917 28.738 0.002 0.000 1.279 731 Q HN 1.040 nan 8.270 nan 0.000 0.444 732 A N 1.747 124.522 122.820 -0.075 0.000 2.556 732 A HA 0.852 5.170 4.320 -0.004 0.000 0.294 732 A C -1.384 176.136 177.584 -0.108 0.000 1.091 732 A CA -0.572 51.454 52.037 -0.018 0.000 0.704 732 A CB 2.031 21.085 19.000 0.090 0.000 1.300 732 A HN 0.615 nan 8.150 nan 0.000 0.406 733 M N 1.167 120.692 119.600 -0.124 0.000 2.274 733 M HA 0.559 5.037 4.480 -0.004 0.000 0.272 733 M C -2.073 174.105 176.300 -0.202 0.000 1.053 733 M CA -0.573 54.510 55.300 -0.363 0.000 0.978 733 M CB 1.088 33.362 32.600 -0.542 0.000 1.836 733 M HN 0.972 nan 8.290 nan 0.000 0.484 734 W N 4.208 125.350 121.300 -0.263 0.000 2.516 734 W HA 0.793 5.451 4.660 -0.004 0.000 0.343 734 W C -1.996 174.262 176.519 -0.435 0.000 1.094 734 W CA -0.838 56.437 57.345 -0.117 0.000 1.250 734 W CB 0.432 29.862 29.460 -0.050 0.000 1.308 734 W HN 0.610 nan 8.180 nan 0.000 0.588 735 Y N 2.171 122.614 120.300 0.239 0.000 2.376 735 Y HA 0.303 4.851 4.550 -0.004 0.000 0.326 735 Y C 0.476 176.498 175.900 0.203 0.000 0.970 735 Y CA -1.136 57.020 58.100 0.094 0.000 1.248 735 Y CB 1.410 39.892 38.460 0.037 0.000 1.117 735 Y HN 0.431 nan 8.280 nan 0.000 0.476 736 T N 4.704 119.433 114.554 0.292 0.000 2.822 736 T HA -0.030 4.317 4.350 -0.004 0.000 0.288 736 T C 0.164 174.949 174.700 0.142 0.000 0.991 736 T CA 0.675 62.889 62.100 0.190 0.000 1.176 736 T CB -0.150 68.769 68.868 0.086 0.000 0.951 736 T HN 0.697 nan 8.240 nan 0.000 0.526 737 D N 0.942 121.411 120.400 0.115 0.000 3.077 737 D HA -0.125 4.513 4.640 -0.004 0.000 0.217 737 D C 0.273 176.733 176.300 0.265 0.000 1.162 737 D CA 1.136 55.176 54.000 0.066 0.000 0.943 737 D CB -0.384 40.261 40.800 -0.259 0.000 1.122 737 D HN 0.551 nan 8.370 nan 0.000 0.413 738 E N 0.758 121.122 120.200 0.273 0.000 2.277 738 E HA 0.354 4.702 4.350 -0.004 0.000 0.274 738 E C 0.738 177.528 176.600 0.316 0.000 1.022 738 E CA -0.347 56.225 56.400 0.287 0.000 0.853 738 E CB 1.286 31.144 29.700 0.263 0.000 1.086 738 E HN 0.319 nan 8.360 nan 0.000 0.397 739 D N -0.529 120.066 120.400 0.326 0.000 2.541 739 D HA 0.007 4.645 4.640 -0.004 0.000 0.276 739 D C 1.046 177.581 176.300 0.392 0.000 1.190 739 D CA -0.214 53.999 54.000 0.355 0.000 1.095 739 D CB -0.202 40.832 40.800 0.389 0.000 1.173 739 D HN 0.403 nan 8.370 nan 0.000 0.604 740 H N -1.653 117.601 119.070 0.307 0.000 2.489 740 H HA 0.108 4.661 4.556 -0.004 0.000 0.293 740 H C 1.807 177.394 175.328 0.432 0.000 1.066 740 H CA 1.967 58.216 56.048 0.336 0.000 1.305 740 H CB -0.316 29.631 29.762 0.309 0.000 1.386 740 H HN 0.485 nan 8.280 nan 0.000 0.551 741 G N -0.475 108.524 108.800 0.332 0.000 2.838 741 G HA2 0.046 4.004 3.960 -0.004 0.000 0.210 741 G HA3 0.046 4.004 3.960 -0.004 0.000 0.210 741 G C 0.603 175.712 174.900 0.349 0.000 1.153 741 G CA 0.197 45.426 45.100 0.216 0.000 0.778 741 G HN 0.491 nan 8.290 nan 0.000 0.539 742 I N 0.253 121.040 120.570 0.362 0.000 3.859 742 I HA -0.332 3.835 4.170 -0.004 0.000 0.126 742 I C 1.503 177.767 176.117 0.246 0.000 1.065 742 I CA 0.224 61.681 61.300 0.262 0.000 2.735 742 I CB -1.120 36.998 38.000 0.197 0.000 1.465 742 I HN 0.264 nan 8.210 nan 0.000 0.341 743 A N 1.432 124.366 122.820 0.191 0.000 2.430 743 A HA 0.287 4.604 4.320 -0.004 0.000 0.243 743 A C 1.144 178.788 177.584 0.101 0.000 1.254 743 A CA 0.513 52.629 52.037 0.131 0.000 0.914 743 A CB 0.154 19.195 19.000 0.070 0.000 0.998 743 A HN 0.638 nan 8.150 nan 0.000 0.515 744 S N -0.378 115.394 115.700 0.120 0.000 2.568 744 S HA 0.167 4.635 4.470 -0.004 0.000 0.282 744 S C 1.249 175.909 174.600 0.100 0.000 1.338 744 S CA 0.372 58.633 58.200 0.103 0.000 1.045 744 S CB 1.120 64.388 63.200 0.112 0.000 0.873 744 S HN 0.520 nan 8.310 nan 0.000 0.516 745 S N 2.180 117.925 115.700 0.074 0.000 2.368 745 S HA -0.203 4.265 4.470 -0.004 0.000 0.226 745 S C 2.100 176.764 174.600 0.107 0.000 1.044 745 S CA 2.416 60.661 58.200 0.076 0.000 1.062 745 S CB -1.627 61.599 63.200 0.043 0.000 0.931 745 S HN 1.069 nan 8.310 nan 0.000 0.440 746 T N -0.331 114.275 114.554 0.086 0.000 2.821 746 T HA 0.182 4.530 4.350 -0.004 0.000 0.267 746 T C 1.974 176.732 174.700 0.096 0.000 1.046 746 T CA 1.308 63.460 62.100 0.087 0.000 1.139 746 T CB -0.901 68.008 68.868 0.069 0.000 0.871 746 T HN 0.477 nan 8.240 nan 0.000 0.454 747 A N 1.321 124.180 122.820 0.065 0.000 1.930 747 A HA -0.052 4.266 4.320 -0.004 0.000 0.217 747 A C 2.180 179.712 177.584 -0.087 0.000 1.175 747 A CA 1.889 53.896 52.037 -0.051 0.000 0.627 747 A CB -1.163 17.778 19.000 -0.099 0.000 0.815 747 A HN 0.765 nan 8.150 nan 0.000 0.443 748 H N -0.056 118.998 119.070 -0.026 0.000 2.321 748 H HA -0.126 4.427 4.556 -0.004 0.000 0.300 748 H C 2.087 177.476 175.328 0.101 0.000 1.087 748 H CA 2.313 58.397 56.048 0.059 0.000 1.319 748 H CB -0.193 29.616 29.762 0.078 0.000 1.379 748 H HN 0.568 nan 8.280 nan 0.000 0.501 749 Q N -0.944 118.860 119.800 0.007 0.000 2.119 749 Q HA -0.184 4.154 4.340 -0.004 0.000 0.201 749 Q C 2.185 178.168 176.000 -0.028 0.000 0.972 749 Q CA 1.283 57.054 55.803 -0.053 0.000 0.847 749 Q CB -0.189 28.561 28.738 0.019 0.000 0.903 749 Q HN 0.647 nan 8.270 nan 0.000 0.433 750 H N 0.794 119.830 119.070 -0.056 0.000 2.357 750 H HA -0.067 4.487 4.556 -0.004 0.000 0.301 750 H C 2.020 177.332 175.328 -0.026 0.000 1.082 750 H CA 1.276 57.326 56.048 0.003 0.000 1.342 750 H CB 0.026 29.849 29.762 0.102 0.000 1.389 750 H HN 0.274 nan 8.280 nan 0.000 0.511 751 I N 0.082 120.594 120.570 -0.097 0.000 2.315 751 I HA -0.303 3.865 4.170 -0.004 0.000 0.248 751 I C 1.702 177.566 176.117 -0.423 0.000 1.117 751 I CA 1.125 62.273 61.300 -0.253 0.000 1.404 751 I CB -0.233 37.420 38.000 -0.578 0.000 1.071 751 I HN 0.131 nan 8.210 nan 0.000 0.419 752 Y N 0.883 120.966 120.300 -0.363 0.000 2.314 752 Y HA -0.166 4.382 4.550 -0.004 0.000 0.293 752 Y C 2.692 178.401 175.900 -0.319 0.000 1.129 752 Y CA 1.676 59.461 58.100 -0.524 0.000 1.201 752 Y CB -0.759 37.399 38.460 -0.503 0.000 0.999 752 Y HN 0.135 nan 8.280 nan 0.000 0.541 753 T N -1.642 112.841 114.554 -0.119 0.000 2.737 753 T HA -0.224 4.124 4.350 -0.004 0.000 0.265 753 T C 1.567 176.137 174.700 -0.217 0.000 1.038 753 T CA 1.869 63.857 62.100 -0.187 0.000 1.144 753 T CB -0.445 68.309 68.868 -0.190 0.000 0.866 753 T HN 0.400 nan 8.240 nan 0.000 0.434 754 H N 0.787 119.723 119.070 -0.222 0.000 2.321 754 H HA 0.092 4.646 4.556 -0.004 0.000 0.300 754 H C 2.191 177.499 175.328 -0.033 0.000 1.087 754 H CA 1.597 57.587 56.048 -0.097 0.000 1.319 754 H CB -0.217 29.488 29.762 -0.095 0.000 1.379 754 H HN 0.247 nan 8.280 nan 0.000 0.501 755 M N -0.904 118.659 119.600 -0.063 0.000 2.175 755 M HA -0.157 4.321 4.480 -0.004 0.000 0.264 755 M C 2.418 178.849 176.300 0.219 0.000 1.063 755 M CA 1.361 56.631 55.300 -0.050 0.000 1.119 755 M CB 0.030 32.348 32.600 -0.469 0.000 1.377 755 M HN 0.204 nan 8.290 nan 0.000 0.415 756 S N -0.569 115.276 115.700 0.241 0.000 2.356 756 S HA -0.161 4.307 4.470 -0.004 0.000 0.223 756 S C 1.696 176.397 174.600 0.169 0.000 1.032 756 S CA 1.076 59.500 58.200 0.374 0.000 1.005 756 S CB -0.549 62.849 63.200 0.330 0.000 0.867 756 S HN 0.463 nan 8.310 nan 0.000 0.449 757 H N -0.192 118.944 119.070 0.109 0.000 2.353 757 H HA -0.031 4.523 4.556 -0.004 0.000 0.300 757 H C 1.954 177.292 175.328 0.015 0.000 1.090 757 H CA 1.231 57.295 56.048 0.026 0.000 1.327 757 H CB -0.757 28.964 29.762 -0.068 0.000 1.383 757 H HN 0.443 nan 8.280 nan 0.000 0.508 758 F N 1.174 121.124 119.950 -0.000 0.000 2.102 758 F HA -0.176 4.348 4.527 -0.004 0.000 0.298 758 F C 2.255 178.021 175.800 -0.057 0.000 1.105 758 F CA 0.869 58.841 58.000 -0.047 0.000 1.239 758 F CB -0.246 38.712 39.000 -0.069 0.000 0.991 758 F HN -0.037 nan 8.300 nan 0.000 0.474 759 I N 0.629 121.213 120.570 0.024 0.000 2.252 759 I HA -0.255 3.913 4.170 -0.004 0.000 0.245 759 I C 2.221 178.158 176.117 -0.299 0.000 1.102 759 I CA 1.450 62.603 61.300 -0.244 0.000 1.385 759 I CB -1.293 36.636 38.000 -0.117 0.000 1.064 759 I HN 0.203 nan 8.210 nan 0.000 0.414 760 K N 0.169 120.531 120.400 -0.064 0.000 2.097 760 K HA -0.212 4.106 4.320 -0.004 0.000 0.206 760 K C 2.108 178.702 176.600 -0.010 0.000 1.049 760 K CA 1.016 57.316 56.287 0.022 0.000 0.933 760 K CB -0.170 32.393 32.500 0.106 0.000 0.717 760 K HN 0.315 nan 8.250 nan 0.000 0.442 761 Q N 1.195 120.946 119.800 -0.081 0.000 2.046 761 Q HA -0.186 4.152 4.340 -0.004 0.000 0.200 761 Q C 2.292 178.200 176.000 -0.153 0.000 0.975 761 Q CA 1.707 57.447 55.803 -0.106 0.000 0.836 761 Q CB -0.587 28.069 28.738 -0.136 0.000 0.896 761 Q HN 0.413 nan 8.270 nan 0.000 0.428 762 c N 0.342 118.745 118.600 -0.330 0.000 2.413 762 c HA -0.085 4.482 4.570 -0.004 0.000 0.277 762 c C 2.174 176.275 174.090 0.017 0.000 1.265 762 c CA 0.464 56.619 56.329 -0.290 0.000 1.752 762 c CB -1.366 40.809 42.510 -0.558 0.000 1.998 762 c HN 0.516 nan 8.230 nan 0.000 0.489 763 F N 1.616 121.526 119.950 -0.066 0.000 2.765 763 F HA 0.259 4.784 4.527 -0.004 0.000 0.302 763 F C 1.621 177.407 175.800 -0.023 0.000 1.111 763 F CA 0.391 58.374 58.000 -0.028 0.000 1.359 763 F CB -1.201 37.791 39.000 -0.014 0.000 1.097 763 F HN 0.223 nan 8.300 nan 0.000 0.577 764 S N 1.028 116.812 115.700 0.141 0.000 3.706 764 S HA -0.195 4.273 4.470 -0.004 0.000 0.363 764 S C -0.104 174.542 174.600 0.076 0.000 0.999 764 S CA 0.083 58.328 58.200 0.076 0.000 1.143 764 S CB -1.985 61.249 63.200 0.057 0.000 0.902 764 S HN 0.224 nan 8.310 nan 0.000 0.476 765 L N 0.861 122.139 121.223 0.092 0.000 2.295 765 L HA 0.491 4.829 4.340 -0.004 0.000 0.285 765 L C -1.373 175.538 176.870 0.069 0.000 1.035 765 L CA -2.200 52.690 54.840 0.084 0.000 0.806 765 L CB 0.654 42.780 42.059 0.111 0.000 1.214 765 L HN 0.049 nan 8.230 nan 0.000 0.426 766 P HA 0.000 nan 4.420 nan 0.000 0.216 766 P CA 0.000 63.132 63.100 0.054 0.000 0.800 766 P CB 0.000 31.727 31.700 0.045 0.000 0.726