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 3o95_1_B DATA FIRST_RESID 34 DATA SEQUENCE HHHHHSRKTY TLTDYLKNTY RLKLYSLRWI SDHEYLYKQE NNILVFNAEY DATA SEQUENCE GNSSVFLENS TFDEFGHSIN DYSISPDGQF ILLEYNYVKQ WRHSYTASYD DATA SEQUENCE IYDLNKRQLI TEERIPNNTQ WVTWSPVGHK LAYVWNNDIY VKIEPNLPSY DATA SEQUENCE RITWTGKEDI IYNGITDWVY EEEVFSAYSA LWWSPNGTFL AYAQFNDTEV DATA SEQUENCE PLIEYSFYSD ESLQYPKTVR VPYPKAGAVN PTVKFFVVNT DSLSSVTNAT DATA SEQUENCE SIQITAPASM LIGDHYLCDV TWATQERISL QWLRRIQNYS VMDIcDYDES DATA SEQUENCE SGRWNcLVAR QHIEMSTTGW VGRFRPSEPH FTLDGNSFYK IISNEEGYRH DATA SEQUENCE IcYFQIDKKD cTFITKGTWE VIGIEALTSD YLYYISNEYK GMPGGRNLYK DATA SEQUENCE IQLSDYTKVT CLSCELNPER cQYYSVSFSK EAKYYQLRcS GPGLPLYTLH DATA SEQUENCE SSVNDKGLRV LEDNSALDKM LQNVQMPSKK LDFIILNETK FWYQMILPPH DATA SEQUENCE FDKSKKYPLL LDVYAGPCSQ KADTVFRLNW ATYLASTENI IVASFDGRGS DATA SEQUENCE GYQGDKIMHA INRRLGTFEV EDQIEAARQF SKMGFVDNKR IAIWGWSYGG DATA SEQUENCE YVTSMVLGSG SGVFKcGIAV APVSRWEYYD SVYTERYMGL PTPEDNLDHY DATA SEQUENCE RNSTVMSRAE NFKQVEYLLI HGTADDNVHF QQSAQISKAL VDVGVDFQAM DATA SEQUENCE WYTDEDHGIA SSTAHQHIYT HMSHFIKQcF SLP 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 34 H HA 0.000 nan 4.556 nan 0.000 0.296 34 H C 0.000 174.963 175.328 -0.609 0.000 0.993 34 H CA 0.000 55.766 56.048 -0.469 0.000 1.023 34 H CB 0.000 29.547 29.762 -0.358 0.000 1.292 35 H N -1.522 117.393 119.070 -0.260 0.000 2.535 35 H HA 0.102 4.658 4.556 0.001 0.000 0.273 35 H C 0.573 175.893 175.328 -0.013 0.000 0.983 35 H CA 1.027 56.998 56.048 -0.129 0.000 1.238 35 H CB -0.096 29.610 29.762 -0.093 0.000 1.412 35 H HN 0.461 nan 8.280 nan 0.000 0.562 36 H N 0.710 119.604 119.070 -0.294 0.000 2.822 36 H HA -0.236 4.321 4.556 0.001 0.000 0.295 36 H C -0.388 174.889 175.328 -0.085 0.000 1.151 36 H CA 0.377 56.343 56.048 -0.137 0.000 1.151 36 H CB -1.838 27.965 29.762 0.068 0.000 1.343 36 H HN 0.674 nan 8.280 nan 0.000 0.382 37 H N -3.524 115.694 119.070 0.248 0.000 3.179 37 H HA -0.179 4.378 4.556 0.001 0.000 0.250 37 H C 0.455 175.832 175.328 0.082 0.000 1.142 37 H CA 1.254 57.430 56.048 0.213 0.000 1.165 37 H CB -1.808 28.007 29.762 0.089 0.000 1.253 37 H HN 0.711 nan 8.280 nan 0.000 0.325 38 H N 0.199 119.436 119.070 0.278 0.000 2.757 38 H HA 0.206 4.763 4.556 0.001 0.000 0.370 38 H C 0.567 175.997 175.328 0.171 0.000 1.172 38 H CA 0.678 56.847 56.048 0.202 0.000 1.426 38 H CB 0.653 30.516 29.762 0.169 0.000 1.438 38 H HN 0.081 nan 8.280 nan 0.000 0.612 39 S N 2.307 118.186 115.700 0.298 0.000 2.405 39 S HA 0.063 4.534 4.470 0.001 0.000 0.291 39 S C 1.212 175.930 174.600 0.197 0.000 1.137 39 S CA -0.633 57.694 58.200 0.212 0.000 1.061 39 S CB 0.186 63.501 63.200 0.190 0.000 1.001 39 S HN 0.670 nan 8.310 nan 0.000 0.507 40 R N 2.030 122.619 120.500 0.149 0.000 2.404 40 R HA 0.269 4.610 4.340 0.001 0.000 0.237 40 R C -0.091 176.274 176.300 0.107 0.000 0.907 40 R CA -0.371 55.800 56.100 0.118 0.000 1.063 40 R CB 0.178 30.531 30.300 0.088 0.000 1.134 40 R HN 0.279 nan 8.270 nan 0.000 0.529 41 K N 2.251 122.719 120.400 0.114 0.000 2.258 41 K HA 0.098 4.418 4.320 0.001 0.000 0.264 41 K C -0.064 176.622 176.600 0.144 0.000 1.007 41 K CA 0.609 56.973 56.287 0.128 0.000 0.941 41 K CB 1.151 33.738 32.500 0.145 0.000 0.966 41 K HN 0.232 nan 8.250 nan 0.000 0.480 42 T N -1.877 112.775 114.554 0.162 0.000 2.864 42 T HA 0.198 4.549 4.350 0.001 0.000 0.289 42 T C -1.138 173.712 174.700 0.250 0.000 1.082 42 T CA -0.781 61.429 62.100 0.184 0.000 1.009 42 T CB 0.557 69.528 68.868 0.172 0.000 1.234 42 T HN 0.438 nan 8.240 nan 0.000 0.526 43 Y N 2.976 123.354 120.300 0.131 0.000 2.585 43 Y HA 0.397 4.947 4.550 0.001 0.000 0.354 43 Y C 0.991 177.060 175.900 0.281 0.000 1.024 43 Y CA -0.334 57.877 58.100 0.185 0.000 1.321 43 Y CB -0.371 38.154 38.460 0.108 0.000 1.151 43 Y HN 0.973 nan 8.280 nan 0.000 0.525 44 T N 2.159 116.713 114.554 0.000 0.000 2.847 44 T HA 0.123 4.473 4.350 0.001 0.000 0.279 44 T C 1.084 175.641 174.700 -0.238 0.000 0.984 44 T CA -0.784 61.332 62.100 0.027 0.000 0.988 44 T CB 1.230 70.108 68.868 0.017 0.000 1.040 44 T HN 0.628 nan 8.240 nan 0.000 0.528 45 L N 1.342 122.276 121.223 -0.481 0.000 2.042 45 L HA -0.019 4.321 4.340 0.001 0.000 0.210 45 L C 2.615 179.319 176.870 -0.278 0.000 1.076 45 L CA 2.191 56.617 54.840 -0.690 0.000 0.749 45 L CB -1.661 39.863 42.059 -0.892 0.000 0.893 45 L HN 0.970 nan 8.230 nan 0.000 0.432 46 T N -0.340 114.092 114.554 -0.204 0.000 2.699 46 T HA -0.202 4.148 4.350 0.001 0.000 0.268 46 T C 1.517 176.128 174.700 -0.148 0.000 1.036 46 T CA 1.582 63.599 62.100 -0.139 0.000 1.147 46 T CB -0.458 68.353 68.868 -0.094 0.000 0.862 46 T HN 0.418 nan 8.240 nan 0.000 0.446 47 D N -0.002 120.282 120.400 -0.193 0.000 2.133 47 D HA -0.116 4.525 4.640 0.001 0.000 0.195 47 D C 1.734 177.938 176.300 -0.159 0.000 0.997 47 D CA 1.183 55.054 54.000 -0.214 0.000 0.840 47 D CB -0.385 40.226 40.800 -0.316 0.000 0.947 47 D HN 0.473 nan 8.370 nan 0.000 0.452 48 Y N 1.163 121.252 120.300 -0.351 0.000 2.184 48 Y HA -0.048 4.502 4.550 0.001 0.000 0.290 48 Y C 2.157 178.045 175.900 -0.019 0.000 1.129 48 Y CA 1.160 59.212 58.100 -0.080 0.000 1.144 48 Y CB -0.417 38.036 38.460 -0.011 0.000 0.995 48 Y HN -0.096 nan 8.280 nan 0.000 0.513 49 L N -0.203 120.854 121.223 -0.277 0.000 2.179 49 L HA -0.077 4.264 4.340 0.001 0.000 0.208 49 L C 1.787 178.552 176.870 -0.174 0.000 1.096 49 L CA 0.936 55.590 54.840 -0.311 0.000 0.779 49 L CB -0.352 41.587 42.059 -0.199 0.000 0.922 49 L HN 0.005 nan 8.230 nan 0.000 0.443 50 K N -0.382 119.941 120.400 -0.127 0.000 2.374 50 K HA 0.098 4.419 4.320 0.001 0.000 0.196 50 K C 0.326 176.882 176.600 -0.073 0.000 1.023 50 K CA -0.067 56.168 56.287 -0.087 0.000 1.103 50 K CB -0.012 32.441 32.500 -0.079 0.000 0.848 50 K HN 0.164 nan 8.250 nan 0.000 0.528 51 N N 1.320 119.981 118.700 -0.064 0.000 2.780 51 N HA -0.157 4.584 4.740 0.001 0.000 0.248 51 N C 0.258 175.766 175.510 -0.004 0.000 1.102 51 N CA 0.853 53.900 53.050 -0.004 0.000 0.697 51 N CB -0.952 37.524 38.487 -0.017 0.000 1.028 51 N HN 0.131 nan 8.380 nan 0.000 0.554 52 T N -0.685 113.829 114.554 -0.068 0.000 2.624 52 T HA -0.191 4.159 4.350 0.001 0.000 0.268 52 T C 0.536 175.063 174.700 -0.289 0.000 1.041 52 T CA 1.516 63.462 62.100 -0.256 0.000 1.159 52 T CB -0.187 68.400 68.868 -0.467 0.000 0.863 52 T HN 0.357 nan 8.240 nan 0.000 0.434 53 Y N 1.811 122.217 120.300 0.178 0.000 2.700 53 Y HA 0.468 5.019 4.550 0.001 0.000 0.333 53 Y C 0.566 176.571 175.900 0.175 0.000 1.036 53 Y CA -1.010 57.208 58.100 0.197 0.000 1.287 53 Y CB 0.174 38.806 38.460 0.287 0.000 1.132 53 Y HN -0.055 nan 8.280 nan 0.000 0.510 54 R N 2.245 122.872 120.500 0.212 0.000 2.594 54 R HA 0.399 4.740 4.340 0.001 0.000 0.272 54 R C -1.087 175.318 176.300 0.175 0.000 1.074 54 R CA -0.616 55.579 56.100 0.159 0.000 1.105 54 R CB 0.529 30.883 30.300 0.091 0.000 1.008 54 R HN 0.640 nan 8.270 nan 0.000 0.472 55 L N 3.993 125.311 121.223 0.159 0.000 2.301 55 L HA 0.330 4.671 4.340 0.001 0.000 0.278 55 L C -0.622 176.313 176.870 0.109 0.000 1.022 55 L CA -0.216 54.720 54.840 0.161 0.000 0.854 55 L CB 0.843 43.019 42.059 0.195 0.000 1.226 55 L HN 0.468 nan 8.230 nan 0.000 0.429 56 K N 3.180 123.629 120.400 0.081 0.000 2.368 56 K HA 0.389 4.709 4.320 0.001 0.000 0.282 56 K C -0.557 176.000 176.600 -0.072 0.000 1.035 56 K CA -0.301 56.001 56.287 0.025 0.000 0.973 56 K CB 0.528 33.047 32.500 0.033 0.000 0.957 56 K HN 0.387 nan 8.250 nan 0.000 0.474 57 L N 3.334 124.465 121.223 -0.154 0.000 2.421 57 L HA 0.439 4.780 4.340 0.001 0.000 0.267 57 L C -0.892 175.616 176.870 -0.604 0.000 1.036 57 L CA -0.522 54.041 54.840 -0.462 0.000 0.829 57 L CB 0.221 42.178 42.059 -0.171 0.000 1.437 57 L HN 0.592 nan 8.230 nan 0.000 0.488 58 Y N -0.065 119.615 120.300 -1.033 0.000 2.400 58 Y HA 0.336 4.886 4.550 0.001 0.000 0.335 58 Y C -0.360 175.145 175.900 -0.659 0.000 1.066 58 Y CA -0.405 57.211 58.100 -0.807 0.000 1.285 58 Y CB 1.448 39.468 38.460 -0.732 0.000 1.103 58 Y HN 0.471 nan 8.280 nan 0.000 0.490 59 S N 7.189 122.401 115.700 -0.814 0.000 2.434 59 S HA 0.601 5.072 4.470 0.001 0.000 0.318 59 S C -0.891 173.433 174.600 -0.460 0.000 1.062 59 S CA -0.638 57.349 58.200 -0.355 0.000 1.116 59 S CB -0.675 62.524 63.200 -0.003 0.000 0.977 59 S HN 0.577 nan 8.310 nan 0.000 0.480 60 L N 2.819 123.783 121.223 -0.431 0.000 2.365 60 L HA 0.767 5.108 4.340 0.001 0.000 0.267 60 L C 0.154 176.904 176.870 -0.201 0.000 1.033 60 L CA -0.794 53.805 54.840 -0.402 0.000 0.802 60 L CB 0.622 42.158 42.059 -0.872 0.000 1.267 60 L HN 0.445 nan 8.230 nan 0.000 0.457 61 R N 0.487 120.914 120.500 -0.121 0.000 2.507 61 R HA 0.292 4.633 4.340 0.001 0.000 0.298 61 R C -1.759 174.547 176.300 0.010 0.000 1.087 61 R CA -0.371 55.717 56.100 -0.020 0.000 0.917 61 R CB 1.103 31.431 30.300 0.046 0.000 1.173 61 R HN 0.690 nan 8.270 nan 0.000 0.472 62 W N 4.631 126.012 121.300 0.136 0.000 2.322 62 W HA 0.036 4.697 4.660 0.001 0.000 0.328 62 W C 1.693 178.261 176.519 0.082 0.000 1.395 62 W CA -0.236 57.195 57.345 0.143 0.000 1.267 62 W CB 0.363 29.906 29.460 0.140 0.000 1.259 62 W HN 0.644 nan 8.180 nan 0.000 0.560 63 I N -0.061 120.663 120.570 0.256 0.000 3.039 63 I HA 0.098 4.269 4.170 0.001 0.000 0.270 63 I C 1.267 177.432 176.117 0.080 0.000 1.150 63 I CA 0.369 61.733 61.300 0.108 0.000 1.448 63 I CB -0.276 37.713 38.000 -0.018 0.000 1.197 63 I HN 0.303 nan 8.210 nan 0.000 0.450 64 S N 0.291 116.026 115.700 0.059 0.000 3.362 64 S HA 0.318 4.788 4.470 0.001 0.000 0.235 64 S C 0.365 174.948 174.600 -0.028 0.000 1.026 64 S CA 0.076 58.230 58.200 -0.076 0.000 1.257 64 S CB 0.890 63.890 63.200 -0.334 0.000 1.187 64 S HN 0.227 nan 8.310 nan 0.000 0.660 65 D N -0.639 119.637 120.400 -0.207 0.000 2.398 65 D HA 0.229 4.869 4.640 0.001 0.000 0.210 65 D C 0.872 177.337 176.300 0.275 0.000 1.094 65 D CA 0.234 54.274 54.000 0.066 0.000 0.839 65 D CB 0.116 41.041 40.800 0.208 0.000 0.963 65 D HN 0.638 nan 8.370 nan 0.000 0.506 66 H N -1.949 117.275 119.070 0.256 0.000 3.643 66 H HA 0.399 4.956 4.556 0.001 0.000 0.256 66 H C -0.126 175.295 175.328 0.154 0.000 1.107 66 H CA -0.146 55.992 56.048 0.150 0.000 1.175 66 H CB 0.550 30.402 29.762 0.149 0.000 1.519 66 H HN 0.047 nan 8.280 nan 0.000 0.565 67 E N 1.037 121.351 120.200 0.190 0.000 2.256 67 E HA 0.448 4.799 4.350 0.001 0.000 0.267 67 E C -1.268 175.445 176.600 0.187 0.000 0.892 67 E CA -1.065 55.395 56.400 0.101 0.000 0.775 67 E CB 2.719 32.413 29.700 -0.010 0.000 1.207 67 E HN 0.233 nan 8.360 nan 0.000 0.420 68 Y N -0.379 119.878 120.300 -0.073 0.000 2.669 68 Y HA 0.730 5.281 4.550 0.001 0.000 0.335 68 Y C -1.558 174.289 175.900 -0.089 0.000 1.116 68 Y CA -1.465 56.475 58.100 -0.267 0.000 1.081 68 Y CB 0.889 38.792 38.460 -0.929 0.000 1.297 68 Y HN 0.328 nan 8.280 nan 0.000 0.484 69 L N 2.063 123.406 121.223 0.201 0.000 2.346 69 L HA 0.533 4.874 4.340 0.001 0.000 0.274 69 L C -1.440 175.695 176.870 0.442 0.000 1.007 69 L CA -0.957 54.016 54.840 0.221 0.000 0.818 69 L CB 1.884 43.998 42.059 0.092 0.000 1.284 69 L HN 0.690 nan 8.230 nan 0.000 0.424 70 Y N 1.609 122.093 120.300 0.307 0.000 2.534 70 Y HA 0.422 4.972 4.550 0.001 0.000 0.345 70 Y C -1.058 174.935 175.900 0.154 0.000 1.031 70 Y CA -2.092 56.118 58.100 0.185 0.000 1.022 70 Y CB 1.833 40.323 38.460 0.050 0.000 1.292 70 Y HN 0.478 nan 8.280 nan 0.000 0.459 71 K N 2.727 122.871 120.400 -0.427 0.000 2.227 71 K HA 0.421 4.741 4.320 0.001 0.000 0.280 71 K C -0.021 176.251 176.600 -0.546 0.000 1.041 71 K CA -0.423 55.623 56.287 -0.402 0.000 0.905 71 K CB 2.104 34.432 32.500 -0.287 0.000 1.068 71 K HN 0.745 nan 8.250 nan 0.000 0.470 72 Q N 2.285 121.937 119.800 -0.246 0.000 2.596 72 Q HA 0.099 4.439 4.340 0.001 0.000 0.190 72 Q C 0.314 176.240 176.000 -0.123 0.000 0.905 72 Q CA 0.010 55.719 55.803 -0.157 0.000 0.846 72 Q CB 0.463 29.186 28.738 -0.026 0.000 1.117 72 Q HN 0.770 nan 8.270 nan 0.000 0.630 73 E N 0.662 120.806 120.200 -0.093 0.000 2.335 73 E HA 0.073 4.423 4.350 0.001 0.000 0.191 73 E C -0.554 175.992 176.600 -0.089 0.000 1.077 73 E CA -0.125 56.228 56.400 -0.079 0.000 1.010 73 E CB 0.292 29.953 29.700 -0.066 0.000 1.141 73 E HN 0.360 nan 8.360 nan 0.000 0.452 74 N N 0.228 118.862 118.700 -0.110 0.000 2.955 74 N HA -0.163 4.578 4.740 0.001 0.000 0.230 74 N C -0.568 174.875 175.510 -0.112 0.000 0.891 74 N CA 0.924 53.910 53.050 -0.107 0.000 1.002 74 N CB -1.267 37.171 38.487 -0.082 0.000 1.063 74 N HN 0.245 nan 8.380 nan 0.000 0.601 75 N N 0.639 119.273 118.700 -0.110 0.000 2.482 75 N HA 0.374 5.114 4.740 0.001 0.000 0.260 75 N C 0.173 175.623 175.510 -0.100 0.000 1.236 75 N CA 0.205 53.190 53.050 -0.109 0.000 0.938 75 N CB 0.710 39.138 38.487 -0.099 0.000 1.128 75 N HN 0.211 nan 8.380 nan 0.000 0.448 76 I N 1.839 122.365 120.570 -0.073 0.000 2.355 76 I HA 0.217 4.388 4.170 0.001 0.000 0.288 76 I C -0.952 175.193 176.117 0.048 0.000 0.999 76 I CA -0.667 60.629 61.300 -0.007 0.000 1.163 76 I CB 0.821 38.814 38.000 -0.012 0.000 1.316 76 I HN 0.141 nan 8.210 nan 0.000 0.454 77 L N 7.162 128.380 121.223 -0.008 0.000 2.325 77 L HA 0.458 4.799 4.340 0.001 0.000 0.279 77 L C -0.070 176.692 176.870 -0.180 0.000 1.054 77 L CA -0.491 54.249 54.840 -0.167 0.000 0.804 77 L CB 1.600 43.377 42.059 -0.469 0.000 1.200 77 L HN 0.266 nan 8.230 nan 0.000 0.436 78 V N 3.999 123.786 119.914 -0.211 0.000 2.406 78 V HA 0.444 4.565 4.120 0.001 0.000 0.272 78 V C -0.652 175.204 176.094 -0.397 0.000 1.043 78 V CA -0.189 61.964 62.300 -0.245 0.000 0.915 78 V CB 0.463 32.171 31.823 -0.192 0.000 0.988 78 V HN 0.483 nan 8.190 nan 0.000 0.466 79 F N 5.673 125.367 119.950 -0.427 0.000 2.421 79 F HA 0.433 4.960 4.527 0.001 0.000 0.337 79 F C 0.735 176.250 175.800 -0.476 0.000 1.105 79 F CA -0.353 57.332 58.000 -0.524 0.000 1.049 79 F CB 1.172 39.600 39.000 -0.954 0.000 1.139 79 F HN 0.473 nan 8.300 nan 0.000 0.479 80 N N 2.070 120.734 118.700 -0.061 0.000 2.430 80 N HA 0.210 4.951 4.740 0.001 0.000 0.265 80 N C 0.520 176.036 175.510 0.010 0.000 1.100 80 N CA 0.082 53.140 53.050 0.013 0.000 0.961 80 N CB 1.622 40.187 38.487 0.129 0.000 1.075 80 N HN 0.845 nan 8.380 nan 0.000 0.478 81 A N 3.552 126.335 122.820 -0.061 0.000 1.968 81 A HA -0.142 4.179 4.320 0.001 0.000 0.217 81 A C 1.891 179.414 177.584 -0.100 0.000 1.169 81 A CA 1.215 53.214 52.037 -0.064 0.000 0.638 81 A CB -0.247 18.659 19.000 -0.156 0.000 0.812 81 A HN 0.793 nan 8.150 nan 0.000 0.446 82 E N -1.261 118.858 120.200 -0.135 0.000 2.072 82 E HA -0.110 4.241 4.350 0.001 0.000 0.190 82 E C 1.424 177.965 176.600 -0.098 0.000 0.982 82 E CA 1.489 57.857 56.400 -0.053 0.000 0.803 82 E CB -0.336 29.322 29.700 -0.069 0.000 0.755 82 E HN 0.666 nan 8.360 nan 0.000 0.453 83 Y N -1.804 118.514 120.300 0.030 0.000 2.254 83 Y HA 0.388 4.939 4.550 0.001 0.000 0.274 83 Y C 1.957 177.880 175.900 0.037 0.000 1.093 83 Y CA 1.198 59.316 58.100 0.030 0.000 1.105 83 Y CB 0.155 38.628 38.460 0.021 0.000 1.041 83 Y HN 0.192 nan 8.280 nan 0.000 0.489 84 G N -1.924 107.026 108.800 0.251 0.000 3.468 84 G HA2 -0.183 3.778 3.960 0.001 0.000 0.219 84 G HA3 -0.183 3.778 3.960 0.001 0.000 0.219 84 G C -0.506 174.479 174.900 0.142 0.000 0.968 84 G CA -0.548 44.668 45.100 0.193 0.000 0.851 84 G HN 0.152 nan 8.290 nan 0.000 0.524 85 N N 2.563 121.306 118.700 0.071 0.000 2.000 85 N HA 0.069 4.810 4.740 0.001 0.000 0.272 85 N C 0.537 175.960 175.510 -0.144 0.000 1.342 85 N CA 1.147 54.169 53.050 -0.047 0.000 1.082 85 N CB 0.017 38.461 38.487 -0.070 0.000 1.491 85 N HN 0.686 nan 8.380 nan 0.000 0.473 86 S N -0.637 114.934 115.700 -0.215 0.000 2.473 86 S HA 0.378 4.848 4.470 0.001 0.000 0.312 86 S C 0.054 174.476 174.600 -0.297 0.000 1.087 86 S CA -1.051 56.853 58.200 -0.493 0.000 1.077 86 S CB 0.205 63.022 63.200 -0.638 0.000 1.065 86 S HN 0.278 nan 8.310 nan 0.000 0.510 87 S N 2.504 118.056 115.700 -0.248 0.000 2.520 87 S HA 0.397 4.867 4.470 0.001 0.000 0.324 87 S C 0.092 174.617 174.600 -0.125 0.000 1.069 87 S CA -0.862 57.247 58.200 -0.152 0.000 1.121 87 S CB 0.677 63.815 63.200 -0.103 0.000 0.971 87 S HN 0.585 nan 8.310 nan 0.000 0.463 88 V N 4.399 124.238 119.914 -0.124 0.000 2.800 88 V HA -0.171 3.950 4.120 0.001 0.000 0.299 88 V C 0.972 177.049 176.094 -0.029 0.000 1.151 88 V CA 1.033 63.278 62.300 -0.093 0.000 1.297 88 V CB -1.008 30.753 31.823 -0.103 0.000 0.835 88 V HN 0.970 nan 8.190 nan 0.000 0.484 89 F N 5.818 125.681 119.950 -0.145 0.000 2.446 89 F HA 0.386 4.914 4.527 0.001 0.000 0.292 89 F C 0.635 176.374 175.800 -0.102 0.000 1.096 89 F CA 0.388 58.323 58.000 -0.109 0.000 1.438 89 F CB 0.564 39.511 39.000 -0.088 0.000 1.107 89 F HN 0.397 nan 8.300 nan 0.000 0.546 90 L N 1.357 122.478 121.223 -0.169 0.000 2.753 90 L HA 0.280 4.620 4.340 0.001 0.000 0.259 90 L C -1.154 175.599 176.870 -0.195 0.000 0.958 90 L CA -0.450 54.230 54.840 -0.268 0.000 0.955 90 L CB 1.136 43.049 42.059 -0.244 0.000 1.317 90 L HN -0.147 nan 8.230 nan 0.000 0.436 91 E N 2.287 122.355 120.200 -0.220 0.000 2.414 91 E HA 0.054 4.405 4.350 0.001 0.000 0.263 91 E C 0.972 177.444 176.600 -0.214 0.000 1.000 91 E CA 0.305 56.587 56.400 -0.195 0.000 0.914 91 E CB 0.505 30.088 29.700 -0.194 0.000 0.948 91 E HN 0.597 nan 8.360 nan 0.000 0.444 92 N N 1.021 119.623 118.700 -0.163 0.000 2.443 92 N HA -0.176 4.565 4.740 0.001 0.000 0.184 92 N C 0.757 176.173 175.510 -0.157 0.000 1.037 92 N CA 1.154 54.118 53.050 -0.142 0.000 0.896 92 N CB -0.228 38.195 38.487 -0.106 0.000 0.959 92 N HN 0.314 nan 8.380 nan 0.000 0.442 93 S N -1.941 113.648 115.700 -0.185 0.000 2.593 93 S HA 0.106 4.576 4.470 0.001 0.000 0.217 93 S C 1.290 175.731 174.600 -0.265 0.000 0.966 93 S CA -0.015 58.077 58.200 -0.179 0.000 0.914 93 S CB -0.331 62.783 63.200 -0.145 0.000 0.776 93 S HN 0.253 nan 8.310 nan 0.000 0.523 94 T N 1.502 115.789 114.554 -0.446 0.000 2.770 94 T HA 0.156 4.506 4.350 0.001 0.000 0.258 94 T C 0.058 174.311 174.700 -0.745 0.000 1.039 94 T CA 0.751 62.389 62.100 -0.770 0.000 1.143 94 T CB -0.410 67.632 68.868 -1.376 0.000 0.866 94 T HN 0.503 nan 8.240 nan 0.000 0.428 95 F N 2.591 122.420 119.950 -0.203 0.000 2.611 95 F HA 0.357 4.885 4.527 0.001 0.000 0.321 95 F C 0.278 176.060 175.800 -0.030 0.000 1.208 95 F CA -1.568 56.340 58.000 -0.153 0.000 1.249 95 F CB -0.206 38.568 39.000 -0.376 0.000 1.514 95 F HN 0.247 nan 8.300 nan 0.000 0.561 96 D N -2.615 117.845 120.400 0.099 0.000 2.348 96 D HA -0.030 4.610 4.640 0.001 0.000 0.283 96 D C 1.526 177.862 176.300 0.060 0.000 1.096 96 D CA 0.050 54.095 54.000 0.075 0.000 0.863 96 D CB -0.256 40.545 40.800 0.002 0.000 1.465 96 D HN -0.036 nan 8.370 nan 0.000 0.515 97 E N 0.207 120.433 120.200 0.044 0.000 2.219 97 E HA -0.176 4.175 4.350 0.001 0.000 0.198 97 E C 1.406 178.059 176.600 0.089 0.000 0.998 97 E CA 0.616 57.041 56.400 0.042 0.000 0.818 97 E CB -0.281 29.438 29.700 0.031 0.000 0.741 97 E HN 0.363 nan 8.360 nan 0.000 0.477 98 F N 0.613 120.575 119.950 0.020 0.000 2.095 98 F HA -0.149 4.379 4.527 0.001 0.000 0.298 98 F C 1.747 177.521 175.800 -0.045 0.000 1.104 98 F CA 2.219 60.237 58.000 0.030 0.000 1.232 98 F CB -0.149 38.898 39.000 0.077 0.000 0.987 98 F HN 0.175 nan 8.300 nan 0.000 0.475 99 G N -0.902 107.854 108.800 -0.073 0.000 2.157 99 G HA2 -0.214 3.746 3.960 0.001 0.000 0.239 99 G HA3 -0.214 3.746 3.960 0.001 0.000 0.239 99 G C 0.022 174.590 174.900 -0.554 0.000 0.982 99 G CA 0.176 45.084 45.100 -0.319 0.000 0.650 99 G HN 0.614 nan 8.290 nan 0.000 0.527 100 H N -0.578 118.499 119.070 0.012 0.000 2.895 100 H HA 0.551 5.108 4.556 0.001 0.000 0.373 100 H C -0.422 175.031 175.328 0.208 0.000 1.174 100 H CA -0.071 56.040 56.048 0.106 0.000 1.144 100 H CB 1.671 31.470 29.762 0.061 0.000 1.793 100 H HN 0.163 nan 8.280 nan 0.000 0.551 101 S N 2.048 117.910 115.700 0.271 0.000 2.443 101 S HA 0.114 4.584 4.470 0.001 0.000 0.284 101 S C 0.084 174.782 174.600 0.164 0.000 1.206 101 S CA -0.755 57.548 58.200 0.172 0.000 1.074 101 S CB -1.258 62.018 63.200 0.127 0.000 0.963 101 S HN 0.321 nan 8.310 nan 0.000 0.501 102 I N 5.805 126.416 120.570 0.069 0.000 2.471 102 I HA 0.183 4.353 4.170 0.001 0.000 0.294 102 I C 1.344 177.471 176.117 0.016 0.000 1.123 102 I CA -0.080 61.210 61.300 -0.018 0.000 1.336 102 I CB -0.299 37.607 38.000 -0.156 0.000 1.430 102 I HN 0.608 nan 8.210 nan 0.000 0.533 103 N N 3.816 122.536 118.700 0.033 0.000 2.062 103 N HA -0.134 4.607 4.740 0.001 0.000 0.191 103 N C 0.370 175.859 175.510 -0.036 0.000 1.042 103 N CA 1.602 54.634 53.050 -0.029 0.000 0.845 103 N CB 0.273 38.718 38.487 -0.071 0.000 1.024 103 N HN 0.746 nan 8.380 nan 0.000 0.424 104 D N -3.169 117.238 120.400 0.013 0.000 2.652 104 D HA 0.289 4.930 4.640 0.001 0.000 0.285 104 D C -1.475 174.935 176.300 0.183 0.000 1.173 104 D CA -0.589 53.458 54.000 0.078 0.000 0.981 104 D CB 0.897 41.690 40.800 -0.011 0.000 1.440 104 D HN 0.148 nan 8.370 nan 0.000 0.485 105 Y N -1.622 118.713 120.300 0.057 0.000 2.677 105 Y HA 0.774 5.325 4.550 0.001 0.000 0.334 105 Y C -1.311 174.683 175.900 0.157 0.000 1.154 105 Y CA -1.116 57.038 58.100 0.090 0.000 1.070 105 Y CB 1.499 39.998 38.460 0.065 0.000 1.294 105 Y HN 0.179 nan 8.280 nan 0.000 0.475 106 S N 1.478 117.321 115.700 0.239 0.000 2.614 106 S HA 0.497 4.967 4.470 0.001 0.000 0.259 106 S C -1.841 173.068 174.600 0.514 0.000 1.118 106 S CA -0.401 57.953 58.200 0.257 0.000 1.065 106 S CB 0.144 63.520 63.200 0.292 0.000 1.121 106 S HN 0.646 nan 8.310 nan 0.000 0.458 107 I N 4.685 125.455 120.570 0.335 0.000 2.441 107 I HA 0.231 4.402 4.170 0.001 0.000 0.287 107 I C 0.889 176.866 176.117 -0.233 0.000 1.049 107 I CA 0.445 61.859 61.300 0.190 0.000 1.381 107 I CB 1.474 39.590 38.000 0.194 0.000 1.409 107 I HN 0.721 nan 8.210 nan 0.000 0.523 108 S N 7.214 122.459 115.700 -0.759 0.000 2.549 108 S HA 0.147 4.618 4.470 0.001 0.000 0.286 108 S C -1.703 172.560 174.600 -0.561 0.000 1.314 108 S CA -0.874 56.445 58.200 -1.468 0.000 1.062 108 S CB 0.435 62.610 63.200 -1.708 0.000 0.865 108 S HN 0.453 nan 8.310 nan 0.000 0.498 109 P HA -0.231 nan 4.420 nan 0.000 0.220 109 P C 0.937 178.169 177.300 -0.113 0.000 1.155 109 P CA 1.938 64.934 63.100 -0.174 0.000 0.880 109 P CB -0.152 31.466 31.700 -0.137 0.000 0.790 110 D N -2.476 117.861 120.400 -0.106 0.000 2.363 110 D HA 0.033 4.673 4.640 0.001 0.000 0.220 110 D C 1.483 177.777 176.300 -0.011 0.000 0.994 110 D CA 1.016 55.003 54.000 -0.021 0.000 0.890 110 D CB -1.081 39.752 40.800 0.056 0.000 0.906 110 D HN 0.284 nan 8.370 nan 0.000 0.530 111 G N 0.279 109.054 108.800 -0.041 0.000 2.179 111 G HA2 -0.381 3.580 3.960 0.001 0.000 0.260 111 G HA3 -0.381 3.580 3.960 0.001 0.000 0.260 111 G C 0.974 175.879 174.900 0.008 0.000 0.977 111 G CA 0.462 45.574 45.100 0.020 0.000 0.641 111 G HN 0.459 nan 8.290 nan 0.000 0.533 112 Q N -1.438 118.329 119.800 -0.055 0.000 2.389 112 Q HA 0.389 4.730 4.340 0.001 0.000 0.204 112 Q C 0.119 175.791 176.000 -0.546 0.000 0.944 112 Q CA 0.639 56.296 55.803 -0.243 0.000 0.908 112 Q CB 0.386 29.019 28.738 -0.175 0.000 1.002 112 Q HN 0.566 nan 8.270 nan 0.000 0.493 113 F N -0.498 119.377 119.950 -0.125 0.000 2.601 113 F HA 0.486 5.014 4.527 0.001 0.000 0.309 113 F C -0.740 175.109 175.800 0.081 0.000 1.089 113 F CA -1.066 56.917 58.000 -0.028 0.000 0.940 113 F CB 1.899 40.888 39.000 -0.019 0.000 1.273 113 F HN -0.211 nan 8.300 nan 0.000 0.450 114 I N 3.370 124.222 120.570 0.470 0.000 2.498 114 I HA 0.521 4.691 4.170 0.001 0.000 0.290 114 I C -1.809 174.617 176.117 0.516 0.000 1.032 114 I CA -1.081 60.512 61.300 0.487 0.000 1.073 114 I CB 1.582 39.817 38.000 0.391 0.000 1.251 114 I HN 0.550 nan 8.210 nan 0.000 0.426 115 L N 8.322 129.880 121.223 0.559 0.000 2.276 115 L HA 0.500 4.841 4.340 0.001 0.000 0.286 115 L C -1.328 175.678 176.870 0.226 0.000 1.061 115 L CA -0.003 55.036 54.840 0.332 0.000 0.807 115 L CB 1.061 43.220 42.059 0.166 0.000 1.177 115 L HN 0.509 nan 8.230 nan 0.000 0.429 116 L N 5.156 126.446 121.223 0.113 0.000 2.272 116 L HA 0.498 4.839 4.340 0.001 0.000 0.289 116 L C -0.051 176.899 176.870 0.133 0.000 1.032 116 L CA -0.328 54.495 54.840 -0.028 0.000 0.810 116 L CB 1.418 43.195 42.059 -0.471 0.000 1.205 116 L HN 0.618 nan 8.230 nan 0.000 0.422 117 E N 3.847 124.105 120.200 0.097 0.000 2.175 117 E HA 0.478 4.829 4.350 0.001 0.000 0.278 117 E C -1.560 175.052 176.600 0.021 0.000 0.969 117 E CA -0.505 55.837 56.400 -0.096 0.000 0.796 117 E CB 1.096 30.821 29.700 0.042 0.000 1.104 117 E HN 0.446 nan 8.360 nan 0.000 0.395 118 Y N 1.445 121.579 120.300 -0.276 0.000 2.725 118 Y HA 0.389 4.939 4.550 0.001 0.000 0.333 118 Y C -0.334 175.500 175.900 -0.109 0.000 1.242 118 Y CA -1.594 56.443 58.100 -0.104 0.000 1.059 118 Y CB 0.371 38.843 38.460 0.021 0.000 1.306 118 Y HN 0.521 nan 8.280 nan 0.000 0.454 119 N N 0.016 118.741 118.700 0.041 0.000 2.716 119 N HA -0.308 4.432 4.740 0.001 0.000 0.250 119 N C -0.897 174.577 175.510 -0.061 0.000 1.033 119 N CA 1.167 54.190 53.050 -0.045 0.000 0.727 119 N CB -1.388 36.983 38.487 -0.193 0.000 0.950 119 N HN 0.845 nan 8.380 nan 0.000 0.541 120 Y N 0.058 120.291 120.300 -0.112 0.000 2.650 120 Y HA 0.255 4.806 4.550 0.001 0.000 0.331 120 Y C -0.072 175.785 175.900 -0.072 0.000 1.165 120 Y CA -0.077 57.947 58.100 -0.126 0.000 1.473 120 Y CB 0.651 38.985 38.460 -0.211 0.000 1.224 120 Y HN -0.002 nan 8.280 nan 0.000 0.533 121 V N 8.211 127.736 119.914 -0.647 0.000 2.357 121 V HA 0.191 4.311 4.120 0.001 0.000 0.281 121 V C -0.129 175.581 176.094 -0.639 0.000 1.015 121 V CA -1.404 60.570 62.300 -0.543 0.000 0.827 121 V CB 1.044 32.723 31.823 -0.240 0.000 1.018 121 V HN 0.772 nan 8.190 nan 0.000 0.432 122 K N 3.553 123.499 120.400 -0.756 0.000 2.469 122 K HA 0.124 4.445 4.320 0.001 0.000 0.274 122 K C 0.353 176.780 176.600 -0.288 0.000 0.983 122 K CA 0.523 56.561 56.287 -0.416 0.000 0.974 122 K CB 0.936 33.369 32.500 -0.112 0.000 0.913 122 K HN 0.804 nan 8.250 nan 0.000 0.493 123 Q N 2.443 122.069 119.800 -0.289 0.000 3.046 123 Q HA 0.198 4.539 4.340 0.001 0.000 0.211 123 Q C -0.095 175.657 176.000 -0.413 0.000 1.153 123 Q CA -0.554 54.873 55.803 -0.626 0.000 0.326 123 Q CB 0.152 28.360 28.738 -0.884 0.000 5.660 123 Q HN 0.703 nan 8.270 nan 0.000 0.312 124 W N 0.712 122.029 121.300 0.028 0.000 1.678 124 W HA 0.304 4.965 4.660 0.001 0.000 0.534 124 W C 1.755 178.268 176.519 -0.009 0.000 2.110 124 W CA -0.537 56.843 57.345 0.058 0.000 2.377 124 W CB -0.109 29.363 29.460 0.020 0.000 2.106 124 W HN 0.416 nan 8.180 nan 0.000 0.814 125 R N -0.731 119.856 120.500 0.145 0.000 2.127 125 R HA -0.164 4.177 4.340 0.001 0.000 0.238 125 R C 1.638 177.727 176.300 -0.351 0.000 1.134 125 R CA 1.743 57.731 56.100 -0.186 0.000 0.975 125 R CB -0.300 29.734 30.300 -0.444 0.000 0.865 125 R HN 0.516 nan 8.270 nan 0.000 0.447 126 H N -1.916 117.249 119.070 0.159 0.000 2.926 126 H HA 0.160 4.717 4.556 0.001 0.000 0.249 126 H C 0.613 176.057 175.328 0.195 0.000 0.963 126 H CA 0.414 56.577 56.048 0.192 0.000 1.158 126 H CB 0.139 29.982 29.762 0.135 0.000 1.445 126 H HN 0.098 nan 8.280 nan 0.000 0.452 127 S N 1.464 117.167 115.700 0.006 0.000 2.593 127 S HA 0.402 4.872 4.470 0.001 0.000 0.269 127 S C -0.289 174.184 174.600 -0.211 0.000 1.334 127 S CA -0.424 57.446 58.200 -0.549 0.000 1.015 127 S CB 0.745 63.050 63.200 -1.492 0.000 0.912 127 S HN 0.465 nan 8.310 nan 0.000 0.541 128 Y N -2.736 117.433 120.300 -0.218 0.000 2.810 128 Y HA 0.593 5.144 4.550 0.001 0.000 0.355 128 Y C -0.881 175.019 175.900 -0.001 0.000 1.211 128 Y CA -1.120 56.870 58.100 -0.183 0.000 1.112 128 Y CB 0.227 38.572 38.460 -0.191 0.000 1.383 128 Y HN 0.816 nan 8.280 nan 0.000 0.458 129 T N 0.022 114.657 114.554 0.136 0.000 2.940 129 T HA 1.005 5.356 4.350 0.001 0.000 0.288 129 T C -0.408 174.398 174.700 0.176 0.000 1.033 129 T CA -0.189 61.997 62.100 0.144 0.000 1.033 129 T CB 1.759 70.652 68.868 0.041 0.000 1.079 129 T HN 1.762 nan 8.240 nan 0.000 0.496 130 A N 0.960 123.834 122.820 0.090 0.000 2.608 130 A HA 0.709 5.029 4.320 0.001 0.000 0.292 130 A C -0.442 176.867 177.584 -0.458 0.000 1.066 130 A CA -0.971 50.955 52.037 -0.186 0.000 0.676 130 A CB 1.113 19.999 19.000 -0.190 0.000 1.277 130 A HN 0.769 nan 8.150 nan 0.000 0.413 131 S N -0.164 115.054 115.700 -0.803 0.000 2.616 131 S HA 0.754 5.224 4.470 0.001 0.000 0.277 131 S C -1.189 172.718 174.600 -1.156 0.000 1.234 131 S CA 0.049 57.665 58.200 -0.973 0.000 1.028 131 S CB 0.403 62.726 63.200 -1.461 0.000 0.988 131 S HN 0.453 nan 8.310 nan 0.000 0.522 132 Y N 0.082 120.193 120.300 -0.315 0.000 2.545 132 Y HA 0.526 5.077 4.550 0.001 0.000 0.348 132 Y C -0.064 175.907 175.900 0.118 0.000 1.002 132 Y CA -0.927 57.139 58.100 -0.057 0.000 1.039 132 Y CB 1.802 40.160 38.460 -0.169 0.000 1.271 132 Y HN 0.516 nan 8.280 nan 0.000 0.467 133 D N 1.444 122.053 120.400 0.348 0.000 2.552 133 D HA 0.603 5.244 4.640 0.001 0.000 0.239 133 D C -1.197 175.201 176.300 0.164 0.000 1.139 133 D CA -0.386 53.759 54.000 0.241 0.000 0.914 133 D CB 2.898 43.895 40.800 0.328 0.000 1.461 133 D HN 0.378 nan 8.370 nan 0.000 0.462 134 I N 1.053 121.723 120.570 0.166 0.000 2.498 134 I HA 0.261 4.432 4.170 0.001 0.000 0.290 134 I C -1.202 175.100 176.117 0.307 0.000 1.032 134 I CA -0.928 60.511 61.300 0.232 0.000 1.073 134 I CB 1.911 40.032 38.000 0.201 0.000 1.251 134 I HN 0.201 nan 8.210 nan 0.000 0.426 135 Y N 5.173 125.594 120.300 0.202 0.000 2.331 135 Y HA 0.271 4.822 4.550 0.001 0.000 0.338 135 Y C 0.091 176.104 175.900 0.189 0.000 0.976 135 Y CA -0.633 57.584 58.100 0.194 0.000 1.137 135 Y CB 1.119 39.707 38.460 0.213 0.000 1.172 135 Y HN 0.513 nan 8.280 nan 0.000 0.478 136 D N 6.611 126.864 120.400 -0.244 0.000 2.348 136 D HA -0.021 4.620 4.640 0.001 0.000 0.259 136 D C 0.839 176.844 176.300 -0.493 0.000 1.296 136 D CA 0.376 54.148 54.000 -0.379 0.000 0.931 136 D CB 0.733 41.359 40.800 -0.290 0.000 1.067 136 D HN 0.883 nan 8.370 nan 0.000 0.503 137 L N 4.335 125.320 121.223 -0.396 0.000 2.633 137 L HA -0.087 4.254 4.340 0.001 0.000 0.235 137 L C 1.587 178.306 176.870 -0.250 0.000 1.163 137 L CA 0.608 55.326 54.840 -0.202 0.000 0.859 137 L CB 0.029 42.017 42.059 -0.119 0.000 0.973 137 L HN 0.363 nan 8.230 nan 0.000 0.451 138 N N -1.198 117.299 118.700 -0.340 0.000 2.463 138 N HA -0.005 4.735 4.740 0.001 0.000 0.183 138 N C 1.156 176.535 175.510 -0.217 0.000 1.064 138 N CA 0.331 53.231 53.050 -0.250 0.000 0.879 138 N CB 0.375 38.712 38.487 -0.251 0.000 1.148 138 N HN 0.191 nan 8.380 nan 0.000 0.451 139 K N 0.994 121.235 120.400 -0.266 0.000 2.374 139 K HA 0.252 4.573 4.320 0.001 0.000 0.196 139 K C -0.272 176.177 176.600 -0.251 0.000 1.023 139 K CA -0.132 56.026 56.287 -0.215 0.000 1.103 139 K CB 0.493 32.883 32.500 -0.183 0.000 0.848 139 K HN 0.002 nan 8.250 nan 0.000 0.528 140 R N 0.933 121.229 120.500 -0.341 0.000 3.251 140 R HA -0.240 4.101 4.340 0.001 0.000 0.249 140 R C -0.795 175.241 176.300 -0.440 0.000 0.949 140 R CA 0.733 56.626 56.100 -0.344 0.000 0.645 140 R CB -1.982 28.277 30.300 -0.068 0.000 1.065 140 R HN 0.380 nan 8.270 nan 0.000 0.452 141 Q N -0.272 119.033 119.800 -0.826 0.000 2.435 141 Q HA 0.413 4.753 4.340 0.001 0.000 0.282 141 Q C -0.847 174.955 176.000 -0.330 0.000 1.020 141 Q CA -1.041 54.532 55.803 -0.383 0.000 0.820 141 Q CB 1.694 30.350 28.738 -0.138 0.000 1.436 141 Q HN -0.013 nan 8.270 nan 0.000 0.395 142 L N 1.994 123.300 121.223 0.139 0.000 2.456 142 L HA 0.215 4.556 4.340 0.001 0.000 0.272 142 L C -0.045 176.889 176.870 0.108 0.000 1.189 142 L CA 0.311 55.295 54.840 0.240 0.000 0.846 142 L CB -0.025 42.222 42.059 0.314 0.000 1.111 142 L HN 0.629 nan 8.230 nan 0.000 0.475 143 I N 2.470 123.111 120.570 0.119 0.000 2.436 143 I HA 0.014 4.184 4.170 0.001 0.000 0.289 143 I C 1.412 177.569 176.117 0.066 0.000 1.083 143 I CA 0.485 61.834 61.300 0.082 0.000 1.372 143 I CB 0.995 39.049 38.000 0.089 0.000 1.408 143 I HN 0.754 nan 8.210 nan 0.000 0.516 144 T N 1.118 115.697 114.554 0.042 0.000 3.014 144 T HA 0.259 4.609 4.350 0.001 0.000 0.250 144 T C 0.699 175.399 174.700 -0.000 0.000 1.060 144 T CA -0.197 61.919 62.100 0.027 0.000 1.040 144 T CB -0.059 68.824 68.868 0.026 0.000 0.971 144 T HN 0.321 nan 8.240 nan 0.000 0.497 145 E N 1.965 122.162 120.200 -0.006 0.000 2.349 145 E HA 0.320 4.670 4.350 0.001 0.000 0.265 145 E C 0.092 176.664 176.600 -0.047 0.000 1.064 145 E CA -0.267 56.118 56.400 -0.025 0.000 0.886 145 E CB 0.309 29.998 29.700 -0.018 0.000 1.036 145 E HN 0.137 nan 8.360 nan 0.000 0.413 146 E N 1.318 121.478 120.200 -0.067 0.000 2.165 146 E HA -0.301 4.050 4.350 0.001 0.000 0.203 146 E C -0.649 175.872 176.600 -0.132 0.000 1.335 146 E CA 0.670 57.011 56.400 -0.100 0.000 0.708 146 E CB -1.164 28.482 29.700 -0.090 0.000 1.105 146 E HN 0.412 nan 8.360 nan 0.000 0.346 147 R N -0.316 120.103 120.500 -0.135 0.000 2.784 147 R HA 0.287 4.628 4.340 0.001 0.000 0.266 147 R C 1.083 177.207 176.300 -0.292 0.000 1.044 147 R CA -0.306 55.700 56.100 -0.158 0.000 1.151 147 R CB 0.444 30.682 30.300 -0.104 0.000 1.037 147 R HN 0.150 nan 8.270 nan 0.000 0.478 148 I N 4.451 124.810 120.570 -0.353 0.000 2.533 148 I HA 0.062 4.232 4.170 0.001 0.000 0.284 148 I C -1.524 174.291 176.117 -0.502 0.000 1.109 148 I CA -1.587 59.341 61.300 -0.621 0.000 1.412 148 I CB 0.623 38.238 38.000 -0.641 0.000 1.396 148 I HN 0.374 nan 8.210 nan 0.000 0.543 149 P HA 0.010 nan 4.420 nan 0.000 0.269 149 P C -0.772 176.320 177.300 -0.346 0.000 1.217 149 P CA -0.247 62.483 63.100 -0.618 0.000 0.783 149 P CB 0.402 31.338 31.700 -1.272 0.000 0.898 150 N N 1.265 119.841 118.700 -0.207 0.000 2.371 150 N HA -0.038 4.703 4.740 0.001 0.000 0.243 150 N C 0.635 176.212 175.510 0.112 0.000 1.287 150 N CA 0.239 53.236 53.050 -0.088 0.000 0.911 150 N CB -0.663 37.785 38.487 -0.066 0.000 1.142 150 N HN 0.437 nan 8.380 nan 0.000 0.451 151 N N -2.419 116.336 118.700 0.091 0.000 2.800 151 N HA -0.176 4.564 4.740 0.001 0.000 0.250 151 N C -0.895 174.792 175.510 0.295 0.000 1.078 151 N CA 0.823 53.975 53.050 0.171 0.000 0.804 151 N CB -1.471 37.129 38.487 0.187 0.000 1.135 151 N HN 0.467 nan 8.380 nan 0.000 0.565 152 T N 0.561 115.299 114.554 0.306 0.000 2.902 152 T HA -0.004 4.347 4.350 0.001 0.000 0.301 152 T C 1.437 176.324 174.700 0.312 0.000 1.012 152 T CA 0.295 62.609 62.100 0.357 0.000 1.151 152 T CB 0.958 69.972 68.868 0.242 0.000 0.946 152 T HN 0.200 nan 8.240 nan 0.000 0.542 153 Q N 1.768 121.744 119.800 0.293 0.000 2.250 153 Q HA 0.155 4.495 4.340 0.001 0.000 0.200 153 Q C 0.188 176.394 176.000 0.343 0.000 0.941 153 Q CA 0.507 56.500 55.803 0.317 0.000 0.872 153 Q CB 0.673 29.560 28.738 0.248 0.000 0.965 153 Q HN 0.717 nan 8.270 nan 0.000 0.480 154 W N -0.134 121.158 121.300 -0.014 0.000 3.571 154 W HA 0.454 5.115 4.660 0.001 0.000 0.294 154 W C -2.289 174.151 176.519 -0.132 0.000 1.257 154 W CA -0.578 56.704 57.345 -0.105 0.000 1.206 154 W CB 1.222 30.555 29.460 -0.212 0.000 1.325 154 W HN -0.369 nan 8.180 nan 0.000 0.546 155 V N 3.538 122.794 119.914 -1.096 0.000 2.760 155 V HA 0.678 4.799 4.120 0.001 0.000 0.309 155 V C -0.411 175.121 176.094 -0.936 0.000 1.077 155 V CA -0.583 61.191 62.300 -0.876 0.000 0.910 155 V CB 1.937 33.088 31.823 -1.119 0.000 1.008 155 V HN 0.475 nan 8.190 nan 0.000 0.424 156 T N 3.198 117.480 114.554 -0.452 0.000 3.172 156 T HA 0.459 4.810 4.350 0.001 0.000 0.320 156 T C -1.306 173.418 174.700 0.039 0.000 1.085 156 T CA -0.341 61.669 62.100 -0.150 0.000 1.052 156 T CB 0.637 69.650 68.868 0.242 0.000 1.107 156 T HN 0.499 nan 8.240 nan 0.000 0.458 157 W N 3.590 124.903 121.300 0.023 0.000 2.137 157 W HA 0.410 5.071 4.660 0.001 0.000 0.344 157 W C 1.342 177.585 176.519 -0.460 0.000 1.286 157 W CA -0.556 56.719 57.345 -0.118 0.000 1.240 157 W CB 0.571 29.971 29.460 -0.100 0.000 1.141 157 W HN 0.837 nan 8.180 nan 0.000 0.579 158 S N 1.756 117.014 115.700 -0.737 0.000 2.566 158 S HA 0.025 4.495 4.470 0.001 0.000 0.280 158 S C -1.798 172.493 174.600 -0.516 0.000 1.343 158 S CA -0.880 56.440 58.200 -1.466 0.000 1.036 158 S CB 0.653 63.072 63.200 -1.302 0.000 0.866 158 S HN 0.298 nan 8.310 nan 0.000 0.526 159 P HA 0.070 nan 4.420 nan 0.000 0.226 159 P C 0.146 177.381 177.300 -0.108 0.000 1.153 159 P CA 0.564 63.603 63.100 -0.102 0.000 0.777 159 P CB -0.195 31.498 31.700 -0.012 0.000 0.794 160 V N -6.443 113.364 119.914 -0.178 0.000 2.962 160 V HA 0.880 5.001 4.120 0.001 0.000 0.313 160 V C 0.578 176.556 176.094 -0.193 0.000 1.099 160 V CA -0.409 61.807 62.300 -0.139 0.000 0.971 160 V CB 1.000 32.765 31.823 -0.097 0.000 1.028 160 V HN 0.360 nan 8.190 nan 0.000 0.430 161 G N 2.300 111.011 108.800 -0.149 0.000 2.566 161 G HA2 -0.216 3.745 3.960 0.001 0.000 0.280 161 G HA3 -0.216 3.745 3.960 0.001 0.000 0.280 161 G C 0.237 175.034 174.900 -0.172 0.000 1.225 161 G CA 0.813 45.801 45.100 -0.187 0.000 0.966 161 G HN 2.526 nan 8.290 nan 0.000 0.560 162 H N -0.647 118.368 119.070 -0.092 0.000 2.924 162 H HA 0.515 5.072 4.556 0.001 0.000 0.229 162 H C 0.175 175.573 175.328 0.117 0.000 1.345 162 H CA -0.268 55.761 56.048 -0.033 0.000 1.044 162 H CB -0.240 29.463 29.762 -0.098 0.000 2.221 162 H HN 0.460 nan 8.280 nan 0.000 0.574 163 K N 1.169 121.540 120.400 -0.048 0.000 2.202 163 K HA 0.318 4.638 4.320 0.001 0.000 0.264 163 K C -0.459 176.214 176.600 0.122 0.000 1.010 163 K CA -0.574 55.700 56.287 -0.022 0.000 0.940 163 K CB 1.067 33.421 32.500 -0.243 0.000 0.983 163 K HN 0.032 nan 8.250 nan 0.000 0.475 164 L N 1.391 122.730 121.223 0.194 0.000 2.330 164 L HA 0.632 4.973 4.340 0.001 0.000 0.271 164 L C -0.804 176.298 176.870 0.387 0.000 1.013 164 L CA -0.461 54.466 54.840 0.145 0.000 0.816 164 L CB 1.630 43.677 42.059 -0.020 0.000 1.287 164 L HN 0.767 nan 8.230 nan 0.000 0.435 165 A N 3.200 126.204 122.820 0.307 0.000 2.411 165 A HA 0.662 4.982 4.320 0.001 0.000 0.285 165 A C -1.610 176.018 177.584 0.073 0.000 1.129 165 A CA -0.434 51.699 52.037 0.161 0.000 0.736 165 A CB 0.660 19.706 19.000 0.077 0.000 1.186 165 A HN 0.611 nan 8.150 nan 0.000 0.445 166 Y N 0.296 120.565 120.300 -0.051 0.000 2.536 166 Y HA 0.807 5.358 4.550 0.001 0.000 0.347 166 Y C -1.097 174.833 175.900 0.050 0.000 1.000 166 Y CA -1.631 56.423 58.100 -0.076 0.000 1.051 166 Y CB 1.524 39.875 38.460 -0.182 0.000 1.259 166 Y HN 0.307 nan 8.280 nan 0.000 0.468 167 V N 3.126 123.163 119.914 0.205 0.000 2.409 167 V HA 0.304 4.425 4.120 0.001 0.000 0.291 167 V C -1.362 174.943 176.094 0.350 0.000 1.020 167 V CA -0.683 61.715 62.300 0.163 0.000 0.848 167 V CB 0.983 32.825 31.823 0.030 0.000 0.990 167 V HN 0.897 nan 8.190 nan 0.000 0.430 168 W N 5.973 127.369 121.300 0.160 0.000 2.900 168 W HA 0.546 5.206 4.660 0.001 0.000 0.336 168 W C 0.149 176.726 176.519 0.096 0.000 1.064 168 W CA -0.517 56.901 57.345 0.121 0.000 1.237 168 W CB 1.355 30.866 29.460 0.085 0.000 1.391 168 W HN 0.659 nan 8.180 nan 0.000 0.468 169 N N 5.297 123.645 118.700 -0.587 0.000 2.725 169 N HA -0.298 4.442 4.740 0.001 0.000 0.251 169 N C -0.048 175.302 175.510 -0.267 0.000 1.031 169 N CA 1.827 54.539 53.050 -0.563 0.000 0.720 169 N CB -1.649 36.282 38.487 -0.925 0.000 0.930 169 N HN 0.753 nan 8.380 nan 0.000 0.543 170 N N -2.049 116.558 118.700 -0.155 0.000 2.828 170 N HA -0.177 4.564 4.740 0.001 0.000 0.248 170 N C -1.106 174.330 175.510 -0.123 0.000 1.044 170 N CA 1.643 54.621 53.050 -0.121 0.000 0.851 170 N CB -0.576 37.798 38.487 -0.188 0.000 1.136 170 N HN 0.587 nan 8.380 nan 0.000 0.572 171 D N -0.184 120.154 120.400 -0.103 0.000 2.340 171 D HA 0.500 5.141 4.640 0.001 0.000 0.240 171 D C 0.472 176.616 176.300 -0.261 0.000 1.001 171 D CA -0.458 53.407 54.000 -0.226 0.000 0.888 171 D CB 1.393 42.014 40.800 -0.297 0.000 1.310 171 D HN -0.010 nan 8.370 nan 0.000 0.474 172 I N 1.570 121.832 120.570 -0.513 0.000 2.396 172 I HA 0.252 4.423 4.170 0.001 0.000 0.292 172 I C -0.697 174.981 176.117 -0.732 0.000 0.999 172 I CA -0.428 60.555 61.300 -0.528 0.000 1.310 172 I CB 0.607 38.224 38.000 -0.639 0.000 1.404 172 I HN 0.155 nan 8.210 nan 0.000 0.496 173 Y N 4.140 124.057 120.300 -0.638 0.000 2.477 173 Y HA 0.614 5.164 4.550 0.001 0.000 0.347 173 Y C -0.460 175.100 175.900 -0.566 0.000 0.981 173 Y CA -0.885 56.785 58.100 -0.717 0.000 1.033 173 Y CB 2.212 39.878 38.460 -1.324 0.000 1.245 173 Y HN 0.134 nan 8.280 nan 0.000 0.455 174 V N 3.693 123.549 119.914 -0.096 0.000 2.540 174 V HA 0.446 4.566 4.120 0.001 0.000 0.302 174 V C -0.893 175.287 176.094 0.143 0.000 1.035 174 V CA -1.330 61.009 62.300 0.066 0.000 0.873 174 V CB 1.969 33.862 31.823 0.117 0.000 0.992 174 V HN 0.623 nan 8.190 nan 0.000 0.428 175 K N 4.718 125.217 120.400 0.164 0.000 2.274 175 K HA 0.504 4.825 4.320 0.001 0.000 0.262 175 K C 0.215 176.891 176.600 0.128 0.000 0.961 175 K CA -0.784 55.557 56.287 0.091 0.000 0.833 175 K CB 2.054 34.588 32.500 0.057 0.000 1.102 175 K HN 0.370 nan 8.250 nan 0.000 0.436 176 I N 1.172 121.810 120.570 0.114 0.000 2.277 176 I HA -0.042 4.129 4.170 0.001 0.000 0.243 176 I C 0.566 176.739 176.117 0.094 0.000 1.094 176 I CA 1.445 62.825 61.300 0.134 0.000 1.393 176 I CB -0.180 37.934 38.000 0.190 0.000 1.078 176 I HN 0.600 nan 8.210 nan 0.000 0.417 177 E N 0.281 120.523 120.200 0.071 0.000 2.227 177 E HA 0.266 4.617 4.350 0.001 0.000 0.268 177 E C -1.829 174.748 176.600 -0.039 0.000 0.907 177 E CA -1.957 54.483 56.400 0.067 0.000 0.786 177 E CB 1.532 31.275 29.700 0.071 0.000 1.191 177 E HN -0.084 nan 8.360 nan 0.000 0.411 178 P HA -0.125 nan 4.420 nan 0.000 0.220 178 P C 0.810 178.043 177.300 -0.111 0.000 1.148 178 P CA 1.177 64.158 63.100 -0.197 0.000 0.803 178 P CB 0.303 31.729 31.700 -0.457 0.000 0.782 179 N N -1.475 117.179 118.700 -0.075 0.000 2.236 179 N HA 0.026 4.767 4.740 0.001 0.000 0.196 179 N C 0.212 175.696 175.510 -0.043 0.000 1.114 179 N CA 0.116 53.143 53.050 -0.037 0.000 0.859 179 N CB -0.313 38.176 38.487 0.003 0.000 0.982 179 N HN 0.029 nan 8.380 nan 0.000 0.493 180 L N 1.465 122.655 121.223 -0.055 0.000 2.454 180 L HA 0.533 4.874 4.340 0.001 0.000 0.256 180 L C -2.038 174.763 176.870 -0.115 0.000 1.136 180 L CA -2.110 52.686 54.840 -0.074 0.000 0.804 180 L CB 0.380 42.395 42.059 -0.075 0.000 1.181 180 L HN -0.050 nan 8.230 nan 0.000 0.469 181 P HA 0.130 nan 4.420 nan 0.000 0.272 181 P C -0.907 176.248 177.300 -0.243 0.000 1.223 181 P CA -0.228 62.775 63.100 -0.162 0.000 0.784 181 P CB 0.463 32.076 31.700 -0.144 0.000 0.923 182 S N 1.116 116.743 115.700 -0.122 0.000 2.564 182 S HA 0.197 4.668 4.470 0.001 0.000 0.278 182 S C -0.423 174.124 174.600 -0.089 0.000 1.333 182 S CA 0.058 58.230 58.200 -0.047 0.000 1.048 182 S CB -0.272 63.023 63.200 0.159 0.000 0.900 182 S HN 0.225 nan 8.310 nan 0.000 0.505 183 Y N 1.598 121.938 120.300 0.067 0.000 2.341 183 Y HA 0.319 4.870 4.550 0.001 0.000 0.340 183 Y C 0.957 176.795 175.900 -0.104 0.000 0.997 183 Y CA -0.641 57.468 58.100 0.015 0.000 1.149 183 Y CB 0.505 38.967 38.460 0.004 0.000 1.171 183 Y HN 0.457 nan 8.280 nan 0.000 0.494 184 R N 4.072 124.545 120.500 -0.046 0.000 2.316 184 R HA 0.131 4.471 4.340 0.001 0.000 0.314 184 R C 0.289 176.319 176.300 -0.451 0.000 1.069 184 R CA 0.029 55.771 56.100 -0.597 0.000 0.959 184 R CB 0.389 30.138 30.300 -0.918 0.000 0.987 184 R HN 0.726 nan 8.270 nan 0.000 0.446 185 I N 1.982 122.205 120.570 -0.578 0.000 2.385 185 I HA -0.072 4.099 4.170 0.001 0.000 0.244 185 I C 1.388 177.282 176.117 -0.371 0.000 1.089 185 I CA 1.242 62.312 61.300 -0.382 0.000 1.410 185 I CB -0.970 36.777 38.000 -0.421 0.000 1.117 185 I HN 0.540 nan 8.210 nan 0.000 0.429 186 T N -3.539 110.673 114.554 -0.570 0.000 2.918 186 T HA 0.359 4.710 4.350 0.001 0.000 0.286 186 T C -0.450 173.970 174.700 -0.467 0.000 1.026 186 T CA -0.509 61.361 62.100 -0.382 0.000 1.031 186 T CB 1.864 70.494 68.868 -0.396 0.000 1.046 186 T HN 0.221 nan 8.240 nan 0.000 0.479 187 W N 0.394 121.578 121.300 -0.193 0.000 2.702 187 W HA 0.239 4.900 4.660 0.001 0.000 0.369 187 W C 1.889 178.352 176.519 -0.094 0.000 0.987 187 W CA -0.128 57.140 57.345 -0.128 0.000 1.702 187 W CB 0.398 29.802 29.460 -0.092 0.000 1.138 187 W HN 0.936 nan 8.180 nan 0.000 0.552 188 T N -3.228 111.361 114.554 0.058 0.000 3.054 188 T HA 0.298 4.649 4.350 0.001 0.000 0.255 188 T C 1.114 175.810 174.700 -0.007 0.000 1.035 188 T CA 0.065 62.189 62.100 0.040 0.000 0.941 188 T CB -0.021 68.868 68.868 0.035 0.000 1.026 188 T HN -0.032 nan 8.240 nan 0.000 0.533 189 G N 1.391 110.158 108.800 -0.056 0.000 2.299 189 G HA2 0.392 4.353 3.960 0.001 0.000 0.256 189 G HA3 0.392 4.353 3.960 0.001 0.000 0.256 189 G C -0.635 174.204 174.900 -0.102 0.000 1.259 189 G CA -0.361 44.682 45.100 -0.094 0.000 0.943 189 G HN 0.390 nan 8.290 nan 0.000 0.479 190 K N 1.934 122.263 120.400 -0.118 0.000 2.397 190 K HA 0.165 4.486 4.320 0.001 0.000 0.253 190 K C -0.135 176.357 176.600 -0.180 0.000 0.932 190 K CA -0.641 55.576 56.287 -0.116 0.000 0.795 190 K CB 2.070 34.535 32.500 -0.059 0.000 1.159 190 K HN 0.681 nan 8.250 nan 0.000 0.424 191 E N 2.358 122.460 120.200 -0.163 0.000 2.529 191 E HA -0.159 4.192 4.350 0.001 0.000 0.259 191 E C -0.505 176.011 176.600 -0.140 0.000 0.966 191 E CA 0.894 57.191 56.400 -0.170 0.000 0.937 191 E CB 0.288 29.922 29.700 -0.110 0.000 0.923 191 E HN 0.579 nan 8.360 nan 0.000 0.468 192 D N 1.945 122.235 120.400 -0.183 0.000 2.758 192 D HA -0.258 4.383 4.640 0.001 0.000 0.191 192 D C 0.678 177.022 176.300 0.073 0.000 1.036 192 D CA 1.756 55.773 54.000 0.029 0.000 1.030 192 D CB -0.878 39.986 40.800 0.106 0.000 1.109 192 D HN 0.498 nan 8.370 nan 0.000 0.430 193 I N -0.624 119.900 120.570 -0.077 0.000 3.345 193 I HA 0.059 4.230 4.170 0.001 0.000 0.258 193 I C 0.576 176.744 176.117 0.084 0.000 1.134 193 I CA 0.127 61.464 61.300 0.063 0.000 1.457 193 I CB 0.563 38.587 38.000 0.040 0.000 1.425 193 I HN -0.134 nan 8.210 nan 0.000 0.461 194 I N 1.400 121.926 120.570 -0.073 0.000 2.355 194 I HA 0.229 4.400 4.170 0.001 0.000 0.288 194 I C -1.333 174.729 176.117 -0.091 0.000 0.999 194 I CA -0.527 60.791 61.300 0.029 0.000 1.163 194 I CB 0.488 38.509 38.000 0.036 0.000 1.316 194 I HN 0.042 nan 8.210 nan 0.000 0.454 195 Y N 4.921 125.321 120.300 0.166 0.000 2.342 195 Y HA 0.377 4.928 4.550 0.001 0.000 0.338 195 Y C 0.509 176.488 175.900 0.131 0.000 0.965 195 Y CA -0.643 57.562 58.100 0.175 0.000 1.159 195 Y CB 0.933 39.587 38.460 0.323 0.000 1.157 195 Y HN 0.407 nan 8.280 nan 0.000 0.486 196 N N 2.539 121.312 118.700 0.121 0.000 2.469 196 N HA 0.315 5.056 4.740 0.001 0.000 0.253 196 N C 0.803 176.268 175.510 -0.075 0.000 0.970 196 N CA 0.416 53.471 53.050 0.008 0.000 0.940 196 N CB 1.749 40.132 38.487 -0.173 0.000 1.128 196 N HN 0.990 nan 8.380 nan 0.000 0.503 197 G N 1.669 110.466 108.800 -0.006 0.000 2.179 197 G HA2 -0.261 3.700 3.960 0.001 0.000 0.260 197 G HA3 -0.261 3.700 3.960 0.001 0.000 0.260 197 G C 0.118 174.890 174.900 -0.214 0.000 0.977 197 G CA 0.638 45.658 45.100 -0.133 0.000 0.641 197 G HN 0.639 nan 8.290 nan 0.000 0.533 198 I N -1.293 119.221 120.570 -0.092 0.000 2.785 198 I HA 0.807 4.977 4.170 0.001 0.000 0.302 198 I C 0.586 176.764 176.117 0.102 0.000 1.069 198 I CA -0.679 60.471 61.300 -0.249 0.000 1.045 198 I CB 1.868 39.519 38.000 -0.582 0.000 1.236 198 I HN 0.157 nan 8.210 nan 0.000 0.429 199 T N -0.103 114.437 114.554 -0.023 0.000 2.788 199 T HA 0.321 4.671 4.350 0.001 0.000 0.287 199 T C -0.150 174.356 174.700 -0.324 0.000 1.007 199 T CA -0.494 61.455 62.100 -0.252 0.000 1.005 199 T CB 0.927 69.754 68.868 -0.070 0.000 1.012 199 T HN 0.804 nan 8.240 nan 0.000 0.530 200 D N -0.793 119.173 120.400 -0.724 0.000 2.567 200 D HA 0.102 4.742 4.640 0.001 0.000 0.275 200 D C 0.980 177.204 176.300 -0.125 0.000 1.195 200 D CA -1.148 52.442 54.000 -0.684 0.000 1.087 200 D CB -0.189 40.063 40.800 -0.913 0.000 1.165 200 D HN 0.658 nan 8.370 nan 0.000 0.609 201 W N 0.017 121.250 121.300 -0.111 0.000 2.333 201 W HA -0.222 4.439 4.660 0.001 0.000 0.316 201 W C 2.110 178.517 176.519 -0.187 0.000 1.215 201 W CA 3.224 60.493 57.345 -0.128 0.000 1.278 201 W CB -0.394 28.931 29.460 -0.226 0.000 1.154 201 W HN 0.222 nan 8.180 nan 0.000 0.486 202 V N -2.313 117.630 119.914 0.048 0.000 2.453 202 V HA -0.270 3.851 4.120 0.001 0.000 0.247 202 V C 1.788 177.681 176.094 -0.335 0.000 1.048 202 V CA 1.637 63.839 62.300 -0.164 0.000 1.049 202 V CB -1.725 30.019 31.823 -0.131 0.000 0.672 202 V HN 0.248 nan 8.190 nan 0.000 0.457 203 Y N 1.314 121.410 120.300 -0.340 0.000 2.293 203 Y HA -0.087 4.464 4.550 0.001 0.000 0.291 203 Y C 2.811 178.591 175.900 -0.199 0.000 1.137 203 Y CA 2.042 59.946 58.100 -0.327 0.000 1.202 203 Y CB -0.102 38.061 38.460 -0.495 0.000 0.990 203 Y HN 0.381 nan 8.280 nan 0.000 0.537 204 E N 0.306 120.458 120.200 -0.081 0.000 2.028 204 E HA -0.275 4.075 4.350 0.001 0.000 0.191 204 E C 2.036 178.586 176.600 -0.083 0.000 0.988 204 E CA 1.484 57.874 56.400 -0.016 0.000 0.799 204 E CB -0.010 29.686 29.700 -0.007 0.000 0.755 204 E HN 0.391 nan 8.360 nan 0.000 0.447 205 E N 0.148 120.091 120.200 -0.427 0.000 2.072 205 E HA -0.156 4.195 4.350 0.001 0.000 0.190 205 E C 1.689 178.158 176.600 -0.218 0.000 0.982 205 E CA 1.478 57.615 56.400 -0.437 0.000 0.803 205 E CB 0.180 29.249 29.700 -1.052 0.000 0.755 205 E HN 0.220 nan 8.360 nan 0.000 0.453 206 E N -0.924 119.114 120.200 -0.270 0.000 2.372 206 E HA 0.103 4.454 4.350 0.001 0.000 0.201 206 E C 1.861 178.314 176.600 -0.245 0.000 0.938 206 E CA 0.465 56.746 56.400 -0.198 0.000 0.944 206 E CB 0.737 30.300 29.700 -0.230 0.000 0.937 206 E HN 0.183 nan 8.360 nan 0.000 0.495 207 V N -0.180 119.517 119.914 -0.362 0.000 2.599 207 V HA 0.031 4.151 4.120 0.001 0.000 0.237 207 V C 1.406 177.283 176.094 -0.362 0.000 1.081 207 V CA 0.881 62.872 62.300 -0.516 0.000 1.107 207 V CB -0.165 31.110 31.823 -0.912 0.000 0.808 207 V HN 0.034 nan 8.190 nan 0.000 0.486 208 F N 0.417 120.375 119.950 0.013 0.000 2.721 208 F HA 0.312 4.840 4.527 0.001 0.000 0.301 208 F C 1.525 177.290 175.800 -0.059 0.000 1.096 208 F CA -0.102 57.924 58.000 0.044 0.000 1.308 208 F CB -0.430 38.642 39.000 0.120 0.000 1.086 208 F HN 0.036 nan 8.300 nan 0.000 0.587 209 S N 0.869 116.597 115.700 0.047 0.000 3.491 209 S HA 0.028 4.498 4.470 0.001 0.000 0.371 209 S C 0.075 174.250 174.600 -0.709 0.000 0.980 209 S CA 0.479 58.578 58.200 -0.168 0.000 1.204 209 S CB -1.651 61.519 63.200 -0.050 0.000 0.915 209 S HN 0.656 nan 8.310 nan 0.000 0.482 210 A N -0.625 121.977 122.820 -0.365 0.000 2.594 210 A HA 0.618 4.938 4.320 0.001 0.000 0.296 210 A C -0.277 177.277 177.584 -0.051 0.000 1.056 210 A CA -0.473 51.381 52.037 -0.306 0.000 0.693 210 A CB 0.344 19.193 19.000 -0.251 0.000 1.278 210 A HN 0.323 nan 8.150 nan 0.000 0.408 211 Y N 1.718 121.858 120.300 -0.266 0.000 2.243 211 Y HA 0.042 4.592 4.550 0.001 0.000 0.293 211 Y C 1.677 177.268 175.900 -0.514 0.000 1.124 211 Y CA 1.220 59.160 58.100 -0.267 0.000 1.159 211 Y CB 0.222 38.556 38.460 -0.211 0.000 1.008 211 Y HN 0.704 nan 8.280 nan 0.000 0.527 212 S N 0.607 115.690 115.700 -1.028 0.000 2.575 212 S HA 0.161 4.632 4.470 0.001 0.000 0.295 212 S C 0.078 174.136 174.600 -0.904 0.000 1.267 212 S CA 0.304 57.669 58.200 -1.392 0.000 1.074 212 S CB 0.492 62.614 63.200 -1.796 0.000 0.829 212 S HN 0.427 nan 8.310 nan 0.000 0.497 213 A N 6.213 128.534 122.820 -0.831 0.000 2.956 213 A HA 0.526 4.847 4.320 0.001 0.000 0.294 213 A C -0.470 176.380 177.584 -1.223 0.000 0.993 213 A CA -0.492 50.968 52.037 -0.962 0.000 1.032 213 A CB 0.045 18.929 19.000 -0.192 0.000 1.129 213 A HN 0.716 nan 8.150 nan 0.000 0.505 214 L N 0.315 120.733 121.223 -1.342 0.000 2.386 214 L HA 0.603 4.944 4.340 0.001 0.000 0.271 214 L C -1.087 175.284 176.870 -0.833 0.000 0.993 214 L CA -0.577 53.786 54.840 -0.795 0.000 0.819 214 L CB 1.971 43.800 42.059 -0.383 0.000 1.294 214 L HN 0.480 nan 8.230 nan 0.000 0.414 215 W N 2.219 123.566 121.300 0.078 0.000 2.591 215 W HA 0.235 4.895 4.660 0.001 0.000 0.311 215 W C -1.118 175.600 176.519 0.332 0.000 1.003 215 W CA -1.029 56.480 57.345 0.272 0.000 1.332 215 W CB 1.196 30.884 29.460 0.380 0.000 1.272 215 W HN 0.487 nan 8.180 nan 0.000 0.412 216 W N 2.474 123.949 121.300 0.291 0.000 2.181 216 W HA 0.177 4.838 4.660 0.001 0.000 0.335 216 W C 1.358 177.636 176.519 -0.401 0.000 1.310 216 W CA 0.484 57.853 57.345 0.041 0.000 1.226 216 W CB 0.683 30.158 29.460 0.024 0.000 1.155 216 W HN 0.183 nan 8.180 nan 0.000 0.565 217 S N 2.815 118.169 115.700 -0.577 0.000 2.584 217 S HA 0.140 4.611 4.470 0.001 0.000 0.270 217 S C -1.750 172.619 174.600 -0.384 0.000 1.346 217 S CA -0.996 56.439 58.200 -1.276 0.000 1.018 217 S CB 0.952 63.512 63.200 -1.068 0.000 0.899 217 S HN 0.277 nan 8.310 nan 0.000 0.542 218 P HA -0.180 nan 4.420 nan 0.000 0.215 218 P C 1.051 178.326 177.300 -0.041 0.000 1.163 218 P CA 1.713 64.788 63.100 -0.041 0.000 0.894 218 P CB -0.245 31.475 31.700 0.033 0.000 0.791 219 N N -1.217 117.455 118.700 -0.047 0.000 2.449 219 N HA 0.064 4.804 4.740 0.001 0.000 0.191 219 N C 1.019 176.479 175.510 -0.083 0.000 1.161 219 N CA 0.747 53.766 53.050 -0.053 0.000 0.863 219 N CB -1.203 37.266 38.487 -0.030 0.000 0.980 219 N HN 0.196 nan 8.380 nan 0.000 0.458 220 G N -0.937 107.826 108.800 -0.062 0.000 2.179 220 G HA2 -0.331 3.630 3.960 0.001 0.000 0.257 220 G HA3 -0.331 3.630 3.960 0.001 0.000 0.257 220 G C 0.820 175.794 174.900 0.124 0.000 1.010 220 G CA 0.854 45.972 45.100 0.030 0.000 0.736 220 G HN 0.398 nan 8.290 nan 0.000 0.513 221 T N -0.373 114.158 114.554 -0.038 0.000 2.737 221 T HA 0.184 4.535 4.350 0.001 0.000 0.265 221 T C 0.838 175.364 174.700 -0.290 0.000 1.038 221 T CA 1.199 63.155 62.100 -0.241 0.000 1.144 221 T CB -0.056 68.513 68.868 -0.497 0.000 0.866 221 T HN 0.300 nan 8.240 nan 0.000 0.434 222 F N 0.686 120.658 119.950 0.037 0.000 2.421 222 F HA 0.575 5.103 4.527 0.001 0.000 0.337 222 F C -0.213 175.597 175.800 0.017 0.000 1.105 222 F CA -1.520 56.522 58.000 0.070 0.000 1.049 222 F CB 1.015 40.142 39.000 0.211 0.000 1.139 222 F HN -0.083 nan 8.300 nan 0.000 0.479 223 L N 3.535 124.825 121.223 0.112 0.000 2.276 223 L HA 0.737 5.078 4.340 0.001 0.000 0.286 223 L C -0.355 176.598 176.870 0.138 0.000 1.024 223 L CA -0.551 54.199 54.840 -0.151 0.000 0.826 223 L CB 0.414 42.122 42.059 -0.586 0.000 1.211 223 L HN 0.667 nan 8.230 nan 0.000 0.422 224 A N 5.317 128.323 122.820 0.309 0.000 2.309 224 A HA 0.657 4.978 4.320 0.001 0.000 0.298 224 A C -1.284 176.449 177.584 0.249 0.000 1.165 224 A CA -0.293 51.835 52.037 0.152 0.000 0.821 224 A CB 0.253 19.423 19.000 0.282 0.000 1.102 224 A HN 0.789 nan 8.150 nan 0.000 0.500 225 Y N -0.572 119.598 120.300 -0.217 0.000 2.524 225 Y HA 0.772 5.322 4.550 0.001 0.000 0.347 225 Y C -0.070 175.767 175.900 -0.106 0.000 1.005 225 Y CA -0.989 57.090 58.100 -0.036 0.000 1.025 225 Y CB 1.019 39.388 38.460 -0.153 0.000 1.275 225 Y HN 0.825 nan 8.280 nan 0.000 0.460 226 A N 2.923 125.937 122.820 0.323 0.000 2.279 226 A HA 0.621 4.941 4.320 0.001 0.000 0.303 226 A C -0.833 176.679 177.584 -0.120 0.000 1.108 226 A CA -0.690 51.367 52.037 0.034 0.000 0.830 226 A CB 1.350 20.361 19.000 0.018 0.000 1.106 226 A HN 0.811 nan 8.150 nan 0.000 0.493 227 Q N 0.876 120.462 119.800 -0.356 0.000 2.271 227 Q HA 0.531 4.872 4.340 0.001 0.000 0.268 227 Q C -2.180 173.598 176.000 -0.370 0.000 1.021 227 Q CA -0.292 55.406 55.803 -0.175 0.000 0.802 227 Q CB 1.262 30.122 28.738 0.204 0.000 1.282 227 Q HN 0.592 nan 8.270 nan 0.000 0.431 228 F N 2.142 122.213 119.950 0.202 0.000 2.480 228 F HA 0.459 4.986 4.527 0.001 0.000 0.329 228 F C 0.555 176.523 175.800 0.280 0.000 1.091 228 F CA -0.881 57.218 58.000 0.165 0.000 0.972 228 F CB 1.381 40.386 39.000 0.009 0.000 1.150 228 F HN 0.402 nan 8.300 nan 0.000 0.467 229 N N 1.670 120.609 118.700 0.398 0.000 2.524 229 N HA 0.217 4.957 4.740 0.001 0.000 0.261 229 N C -0.811 174.878 175.510 0.299 0.000 0.998 229 N CA -0.281 52.954 53.050 0.308 0.000 0.915 229 N CB 0.970 39.581 38.487 0.207 0.000 1.187 229 N HN 0.526 nan 8.380 nan 0.000 0.507 230 D N 1.429 122.028 120.400 0.332 0.000 2.363 230 D HA 0.101 4.741 4.640 0.001 0.000 0.214 230 D C 1.191 177.611 176.300 0.201 0.000 1.093 230 D CA 0.237 54.411 54.000 0.290 0.000 0.837 230 D CB 0.503 41.545 40.800 0.403 0.000 0.948 230 D HN 0.498 nan 8.370 nan 0.000 0.507 231 T N 0.495 115.148 114.554 0.165 0.000 2.594 231 T HA -0.252 4.098 4.350 0.001 0.000 0.266 231 T C 1.442 176.201 174.700 0.098 0.000 1.070 231 T CA 1.451 63.620 62.100 0.116 0.000 1.166 231 T CB -0.121 68.803 68.868 0.094 0.000 0.862 231 T HN 0.256 nan 8.240 nan 0.000 0.436 232 E N 0.301 120.557 120.200 0.094 0.000 2.444 232 E HA 0.192 4.543 4.350 0.001 0.000 0.191 232 E C -0.517 176.132 176.600 0.081 0.000 1.041 232 E CA -0.289 56.156 56.400 0.075 0.000 0.883 232 E CB 0.457 30.193 29.700 0.060 0.000 1.024 232 E HN 0.209 nan 8.360 nan 0.000 0.470 233 V N 3.306 123.283 119.914 0.105 0.000 2.508 233 V HA 0.110 4.231 4.120 0.001 0.000 0.281 233 V C -1.986 174.166 176.094 0.096 0.000 1.041 233 V CA -1.556 60.809 62.300 0.108 0.000 1.016 233 V CB 0.456 32.362 31.823 0.138 0.000 0.984 233 V HN 0.073 nan 8.190 nan 0.000 0.478 234 P HA 0.286 nan 4.420 nan 0.000 0.272 234 P C -0.834 176.504 177.300 0.063 0.000 1.230 234 P CA -0.274 62.863 63.100 0.062 0.000 0.788 234 P CB 0.492 32.225 31.700 0.056 0.000 0.949 235 L N 1.888 123.128 121.223 0.028 0.000 2.307 235 L HA 0.453 4.793 4.340 0.001 0.000 0.284 235 L C 0.339 177.169 176.870 -0.067 0.000 1.023 235 L CA -1.037 53.805 54.840 0.004 0.000 0.810 235 L CB 1.068 43.127 42.059 -0.000 0.000 1.231 235 L HN 0.280 nan 8.230 nan 0.000 0.423 236 I N 2.778 123.263 120.570 -0.141 0.000 2.416 236 I HA 0.147 4.317 4.170 0.001 0.000 0.288 236 I C -0.161 175.837 176.117 -0.199 0.000 1.051 236 I CA 0.417 61.537 61.300 -0.301 0.000 1.375 236 I CB 0.452 37.998 38.000 -0.758 0.000 1.407 236 I HN 0.570 nan 8.210 nan 0.000 0.516 237 E N 7.810 127.909 120.200 -0.168 0.000 2.171 237 E HA 0.496 4.847 4.350 0.001 0.000 0.271 237 E C -1.597 174.959 176.600 -0.072 0.000 0.916 237 E CA -0.581 55.720 56.400 -0.165 0.000 0.774 237 E CB 1.742 31.362 29.700 -0.134 0.000 1.128 237 E HN 0.606 nan 8.360 nan 0.000 0.403 238 Y N -1.651 118.565 120.300 -0.141 0.000 2.655 238 Y HA 0.593 5.144 4.550 0.001 0.000 0.336 238 Y C -0.810 175.016 175.900 -0.122 0.000 1.154 238 Y CA -1.359 56.663 58.100 -0.130 0.000 1.055 238 Y CB 0.916 39.308 38.460 -0.113 0.000 1.295 238 Y HN 0.204 nan 8.280 nan 0.000 0.465 239 S N 1.502 117.186 115.700 -0.027 0.000 2.508 239 S HA 0.499 4.970 4.470 0.001 0.000 0.284 239 S C -1.496 172.928 174.600 -0.294 0.000 1.192 239 S CA -0.487 57.529 58.200 -0.307 0.000 1.070 239 S CB 0.695 63.542 63.200 -0.589 0.000 1.004 239 S HN 0.534 nan 8.310 nan 0.000 0.493 240 F N 2.631 122.344 119.950 -0.395 0.000 2.402 240 F HA 0.421 4.949 4.527 0.001 0.000 0.355 240 F C -0.017 175.600 175.800 -0.306 0.000 1.123 240 F CA -0.833 57.031 58.000 -0.227 0.000 1.021 240 F CB 0.648 39.625 39.000 -0.038 0.000 1.160 240 F HN 0.669 nan 8.300 nan 0.000 0.451 241 Y N 2.807 122.946 120.300 -0.269 0.000 2.365 241 Y HA 0.069 4.619 4.550 0.001 0.000 0.293 241 Y C 1.729 177.594 175.900 -0.060 0.000 1.119 241 Y CA 1.129 59.150 58.100 -0.131 0.000 1.203 241 Y CB -0.552 37.808 38.460 -0.168 0.000 1.026 241 Y HN 0.728 nan 8.280 nan 0.000 0.549 242 S N 0.010 115.681 115.700 -0.048 0.000 3.569 242 S HA -0.309 4.161 4.470 0.001 0.000 0.635 242 S C -0.236 174.434 174.600 0.117 0.000 2.396 242 S CA 0.206 58.508 58.200 0.171 0.000 2.612 242 S CB -1.512 61.902 63.200 0.356 0.000 0.331 242 S HN 0.570 nan 8.310 nan 0.000 1.764 243 D N 1.456 121.940 120.400 0.140 0.000 2.472 243 D HA 0.210 4.850 4.640 0.001 0.000 0.237 243 D C 1.623 177.966 176.300 0.073 0.000 1.141 243 D CA 0.847 54.904 54.000 0.094 0.000 0.875 243 D CB 0.581 41.436 40.800 0.091 0.000 1.192 243 D HN 0.626 nan 8.370 nan 0.000 0.450 244 E N 1.624 121.852 120.200 0.047 0.000 2.333 244 E HA -0.253 4.098 4.350 0.001 0.000 0.200 244 E C 1.356 177.974 176.600 0.031 0.000 1.010 244 E CA 0.932 57.350 56.400 0.030 0.000 0.841 244 E CB -0.039 29.668 29.700 0.012 0.000 0.757 244 E HN 0.317 nan 8.360 nan 0.000 0.508 245 S N 0.412 116.137 115.700 0.041 0.000 2.380 245 S HA -0.154 4.317 4.470 0.001 0.000 0.229 245 S C 0.791 175.421 174.600 0.050 0.000 1.043 245 S CA 0.809 59.035 58.200 0.042 0.000 1.038 245 S CB -0.365 62.865 63.200 0.050 0.000 0.872 245 S HN 0.363 nan 8.310 nan 0.000 0.456 246 L N 2.524 123.788 121.223 0.068 0.000 2.500 246 L HA 0.121 4.462 4.340 0.001 0.000 0.272 246 L C 1.158 178.066 176.870 0.064 0.000 1.149 246 L CA 0.427 55.318 54.840 0.085 0.000 0.897 246 L CB 0.409 42.535 42.059 0.113 0.000 1.178 246 L HN 0.166 nan 8.230 nan 0.000 0.473 247 Q N 3.859 123.701 119.800 0.070 0.000 2.083 247 Q HA -0.072 4.269 4.340 0.001 0.000 0.198 247 Q C -0.507 175.407 176.000 -0.144 0.000 0.969 247 Q CA 1.283 57.070 55.803 -0.027 0.000 0.838 247 Q CB 0.156 28.904 28.738 0.017 0.000 0.900 247 Q HN 0.685 nan 8.270 nan 0.000 0.436 248 Y N 0.736 121.053 120.300 0.029 0.000 2.328 248 Y HA 0.369 4.920 4.550 0.001 0.000 0.337 248 Y C -2.066 173.847 175.900 0.022 0.000 0.966 248 Y CA -2.919 55.194 58.100 0.022 0.000 1.136 248 Y CB 1.387 39.851 38.460 0.007 0.000 1.170 248 Y HN 0.151 nan 8.280 nan 0.000 0.470 249 P HA -0.015 nan 4.420 nan 0.000 0.267 249 P C -0.639 176.670 177.300 0.015 0.000 1.200 249 P CA -0.327 62.797 63.100 0.040 0.000 0.772 249 P CB 0.699 32.374 31.700 -0.041 0.000 0.855 250 K N 1.561 121.958 120.400 -0.006 0.000 2.174 250 K HA 0.280 4.600 4.320 0.001 0.000 0.275 250 K C -0.658 175.891 176.600 -0.086 0.000 1.015 250 K CA -0.279 56.002 56.287 -0.009 0.000 0.933 250 K CB 0.455 32.979 32.500 0.041 0.000 1.025 250 K HN 0.338 nan 8.250 nan 0.000 0.463 251 T N 3.395 117.886 114.554 -0.106 0.000 2.733 251 T HA 0.199 4.550 4.350 0.001 0.000 0.294 251 T C -0.391 174.172 174.700 -0.228 0.000 0.956 251 T CA -0.631 61.365 62.100 -0.173 0.000 0.987 251 T CB 0.878 69.665 68.868 -0.135 0.000 0.920 251 T HN 0.295 nan 8.240 nan 0.000 0.470 252 V N 5.474 125.141 119.914 -0.411 0.000 2.498 252 V HA 0.405 4.525 4.120 0.001 0.000 0.279 252 V C 0.496 176.323 176.094 -0.444 0.000 1.048 252 V CA -0.546 61.470 62.300 -0.474 0.000 0.967 252 V CB 0.721 32.106 31.823 -0.731 0.000 0.988 252 V HN 0.726 nan 8.190 nan 0.000 0.473 253 R N 3.425 123.804 120.500 -0.201 0.000 2.435 253 R HA 0.672 5.012 4.340 0.001 0.000 0.308 253 R C -1.600 174.705 176.300 0.008 0.000 0.975 253 R CA -0.524 55.508 56.100 -0.112 0.000 0.867 253 R CB 2.093 32.352 30.300 -0.068 0.000 1.171 253 R HN 0.522 nan 8.270 nan 0.000 0.470 254 V N 4.392 124.317 119.914 0.017 0.000 2.487 254 V HA 0.329 4.450 4.120 0.001 0.000 0.298 254 V C -2.266 173.889 176.094 0.102 0.000 1.028 254 V CA -2.521 59.847 62.300 0.114 0.000 0.860 254 V CB 2.072 33.923 31.823 0.046 0.000 0.991 254 V HN 0.591 nan 8.190 nan 0.000 0.427 255 P HA 0.105 nan 4.420 nan 0.000 0.264 255 P C -1.225 176.185 177.300 0.184 0.000 1.236 255 P CA 0.531 63.744 63.100 0.188 0.000 0.811 255 P CB -0.380 31.477 31.700 0.261 0.000 0.840 256 Y N 6.443 126.721 120.300 -0.037 0.000 2.317 256 Y HA 0.393 4.944 4.550 0.001 0.000 0.325 256 Y C -2.587 173.279 175.900 -0.056 0.000 1.066 256 Y CA -2.943 55.078 58.100 -0.133 0.000 1.203 256 Y CB 2.066 40.308 38.460 -0.363 0.000 1.127 256 Y HN 0.274 nan 8.280 nan 0.000 0.451 257 P HA 0.206 nan 4.420 nan 0.000 0.286 257 P C -1.136 176.226 177.300 0.103 0.000 1.321 257 P CA -0.171 62.978 63.100 0.082 0.000 0.790 257 P CB 1.185 32.914 31.700 0.048 0.000 0.897 258 K N 2.091 122.623 120.400 0.220 0.000 2.138 258 K HA 0.462 4.782 4.320 0.001 0.000 0.251 258 K C 0.596 177.285 176.600 0.149 0.000 1.015 258 K CA -0.662 55.766 56.287 0.235 0.000 0.917 258 K CB 0.521 33.170 32.500 0.249 0.000 1.021 258 K HN 0.450 nan 8.250 nan 0.000 0.485 259 A N 1.151 124.079 122.820 0.179 0.000 2.583 259 A HA 0.226 4.547 4.320 0.001 0.000 0.249 259 A C 1.268 178.875 177.584 0.038 0.000 1.035 259 A CA 1.144 53.270 52.037 0.149 0.000 0.777 259 A CB -1.239 17.924 19.000 0.272 0.000 0.942 259 A HN 0.931 nan 8.150 nan 0.000 0.516 260 G N 1.171 109.986 108.800 0.025 0.000 2.268 260 G HA2 0.125 4.085 3.960 0.001 0.000 0.240 260 G HA3 0.125 4.085 3.960 0.001 0.000 0.240 260 G C 0.754 175.658 174.900 0.007 0.000 1.010 260 G CA 0.626 45.716 45.100 -0.017 0.000 0.618 260 G HN 2.254 nan 8.290 nan 0.000 0.516 261 A N 0.235 123.076 122.820 0.035 0.000 2.327 261 A HA 0.684 5.005 4.320 0.001 0.000 0.255 261 A C 1.173 178.783 177.584 0.044 0.000 1.099 261 A CA 0.533 52.596 52.037 0.044 0.000 0.801 261 A CB 0.436 19.478 19.000 0.070 0.000 1.062 261 A HN 1.965 nan 8.150 nan 0.000 0.496 262 V N 0.987 120.928 119.914 0.044 0.000 2.521 262 V HA 0.248 4.369 4.120 0.001 0.000 0.286 262 V C 0.073 176.205 176.094 0.064 0.000 1.034 262 V CA -0.679 61.647 62.300 0.043 0.000 1.045 262 V CB -0.188 31.659 31.823 0.041 0.000 0.974 262 V HN 0.723 nan 8.190 nan 0.000 0.480 263 N N 6.430 125.165 118.700 0.058 0.000 2.445 263 N HA 0.517 5.258 4.740 0.001 0.000 0.264 263 N C -2.416 173.170 175.510 0.127 0.000 1.227 263 N CA -1.524 51.584 53.050 0.097 0.000 0.963 263 N CB 0.563 39.097 38.487 0.079 0.000 1.188 263 N HN 0.639 nan 8.380 nan 0.000 0.491 264 P HA 0.061 nan 4.420 nan 0.000 0.270 264 P C -0.489 176.960 177.300 0.248 0.000 1.223 264 P CA -0.031 63.224 63.100 0.259 0.000 0.785 264 P CB 0.264 32.177 31.700 0.355 0.000 0.923 265 T N -2.022 112.667 114.554 0.225 0.000 2.940 265 T HA 0.560 4.910 4.350 0.001 0.000 0.288 265 T C -0.447 174.391 174.700 0.229 0.000 1.033 265 T CA -0.922 61.270 62.100 0.154 0.000 1.033 265 T CB 1.579 70.498 68.868 0.086 0.000 1.079 265 T HN 0.305 nan 8.240 nan 0.000 0.496 266 V N 1.371 121.405 119.914 0.199 0.000 2.524 266 V HA 0.546 4.667 4.120 0.001 0.000 0.297 266 V C -1.102 175.110 176.094 0.196 0.000 1.035 266 V CA -0.753 61.626 62.300 0.131 0.000 0.867 266 V CB 1.536 33.435 31.823 0.128 0.000 1.004 266 V HN 0.953 nan 8.190 nan 0.000 0.426 267 K N 5.386 125.835 120.400 0.083 0.000 2.118 267 K HA 0.593 4.913 4.320 0.001 0.000 0.254 267 K C -1.406 175.166 176.600 -0.047 0.000 0.961 267 K CA -0.500 55.809 56.287 0.038 0.000 0.876 267 K CB 2.368 34.886 32.500 0.031 0.000 1.077 267 K HN 0.573 nan 8.250 nan 0.000 0.440 268 F N 2.404 122.115 119.950 -0.399 0.000 2.507 268 F HA 0.522 5.049 4.527 0.001 0.000 0.325 268 F C -1.474 173.835 175.800 -0.818 0.000 1.116 268 F CA -0.762 56.968 58.000 -0.448 0.000 0.930 268 F CB 0.821 39.666 39.000 -0.260 0.000 1.146 268 F HN 0.366 nan 8.300 nan 0.000 0.447 269 F N 4.113 123.244 119.950 -1.366 0.000 2.588 269 F HA 0.741 5.269 4.527 0.001 0.000 0.314 269 F C -0.948 174.158 175.800 -1.157 0.000 1.069 269 F CA -1.182 56.137 58.000 -1.136 0.000 0.931 269 F CB 2.207 40.474 39.000 -1.222 0.000 1.260 269 F HN 0.126 nan 8.300 nan 0.000 0.465 270 V N 2.882 122.548 119.914 -0.413 0.000 2.482 270 V HA 0.468 4.588 4.120 0.001 0.000 0.295 270 V C -0.964 175.209 176.094 0.132 0.000 1.026 270 V CA -0.830 61.319 62.300 -0.251 0.000 0.856 270 V CB 1.723 33.144 31.823 -0.670 0.000 1.001 270 V HN 0.590 nan 8.190 nan 0.000 0.424 271 V N 4.888 124.947 119.914 0.241 0.000 2.547 271 V HA 0.535 4.656 4.120 0.001 0.000 0.299 271 V C 0.040 176.353 176.094 0.365 0.000 1.040 271 V CA -0.509 61.960 62.300 0.282 0.000 0.913 271 V CB 1.898 33.823 31.823 0.171 0.000 0.992 271 V HN 0.921 nan 8.190 nan 0.000 0.449 272 N N 3.807 122.699 118.700 0.320 0.000 2.406 272 N HA 0.101 4.841 4.740 0.001 0.000 0.251 272 N C 1.067 176.555 175.510 -0.035 0.000 1.069 272 N CA 0.569 53.653 53.050 0.057 0.000 0.947 272 N CB 1.667 40.182 38.487 0.047 0.000 1.111 272 N HN 0.924 nan 8.380 nan 0.000 0.497 273 T N -0.234 114.281 114.554 -0.065 0.000 3.085 273 T HA 0.014 4.365 4.350 0.001 0.000 0.263 273 T C 0.721 175.407 174.700 -0.025 0.000 1.127 273 T CA 0.608 62.708 62.100 0.000 0.000 1.103 273 T CB 0.178 69.129 68.868 0.138 0.000 0.921 273 T HN 0.289 nan 8.240 nan 0.000 0.510 274 D N 2.079 122.424 120.400 -0.091 0.000 2.277 274 D HA 0.014 4.654 4.640 0.001 0.000 0.208 274 D C 1.826 178.085 176.300 -0.067 0.000 0.962 274 D CA 1.084 55.038 54.000 -0.077 0.000 0.865 274 D CB 0.025 40.756 40.800 -0.115 0.000 0.939 274 D HN 0.660 nan 8.370 nan 0.000 0.510 275 S N -0.108 115.548 115.700 -0.072 0.000 2.582 275 S HA 0.150 4.621 4.470 0.001 0.000 0.234 275 S C 0.619 175.159 174.600 -0.101 0.000 0.961 275 S CA -0.577 57.589 58.200 -0.056 0.000 0.953 275 S CB 0.265 63.459 63.200 -0.010 0.000 0.800 275 S HN -0.097 nan 8.310 nan 0.000 0.471 276 L N 2.733 123.849 121.223 -0.178 0.000 2.514 276 L HA 0.359 4.699 4.340 0.001 0.000 0.280 276 L C 0.557 177.166 176.870 -0.436 0.000 1.223 276 L CA 0.537 55.156 54.840 -0.369 0.000 0.864 276 L CB 0.632 42.330 42.059 -0.603 0.000 1.118 276 L HN 0.357 nan 8.230 nan 0.000 0.494 277 S N 0.378 115.833 115.700 -0.408 0.000 2.536 277 S HA 0.438 4.909 4.470 0.001 0.000 0.287 277 S C 0.638 175.168 174.600 -0.118 0.000 1.101 277 S CA -0.498 57.573 58.200 -0.216 0.000 0.950 277 S CB 1.426 64.578 63.200 -0.080 0.000 1.056 277 S HN 0.591 nan 8.310 nan 0.000 0.481 278 S N 2.232 117.976 115.700 0.074 0.000 2.562 278 S HA 0.004 4.475 4.470 0.001 0.000 0.221 278 S C 1.336 176.023 174.600 0.146 0.000 0.975 278 S CA 0.668 59.015 58.200 0.246 0.000 0.918 278 S CB -0.053 63.313 63.200 0.277 0.000 0.772 278 S HN 0.867 nan 8.310 nan 0.000 0.531 279 V N -1.010 118.953 119.914 0.082 0.000 3.477 279 V HA 0.365 4.485 4.120 0.001 0.000 0.297 279 V C 0.389 176.508 176.094 0.042 0.000 1.433 279 V CA 0.175 62.512 62.300 0.061 0.000 1.052 279 V CB -0.245 31.605 31.823 0.045 0.000 0.895 279 V HN 0.410 nan 8.190 nan 0.000 0.438 280 T N -1.321 113.255 114.554 0.036 0.000 2.952 280 T HA 0.498 4.848 4.350 0.001 0.000 0.305 280 T C -0.660 174.063 174.700 0.037 0.000 1.064 280 T CA -0.579 61.533 62.100 0.019 0.000 1.008 280 T CB 1.688 70.558 68.868 0.003 0.000 1.078 280 T HN 0.096 nan 8.240 nan 0.000 0.459 281 N N 1.661 120.384 118.700 0.040 0.000 2.353 281 N HA 0.339 5.080 4.740 0.001 0.000 0.248 281 N C 0.418 175.966 175.510 0.063 0.000 1.240 281 N CA 0.134 53.245 53.050 0.100 0.000 0.862 281 N CB 0.374 38.871 38.487 0.016 0.000 1.086 281 N HN 1.039 nan 8.380 nan 0.000 0.453 282 A N 1.795 124.662 122.820 0.077 0.000 2.477 282 A HA 0.218 4.539 4.320 0.001 0.000 0.246 282 A C 0.259 177.870 177.584 0.045 0.000 1.078 282 A CA -0.090 51.962 52.037 0.025 0.000 0.770 282 A CB -0.018 18.977 19.000 -0.009 0.000 1.011 282 A HN 0.540 nan 8.150 nan 0.000 0.494 283 T N 3.082 117.669 114.554 0.055 0.000 2.729 283 T HA 0.349 4.699 4.350 0.001 0.000 0.296 283 T C 0.221 174.995 174.700 0.122 0.000 0.928 283 T CA 0.143 62.293 62.100 0.084 0.000 1.045 283 T CB 0.173 69.099 68.868 0.097 0.000 0.902 283 T HN 0.562 nan 8.240 nan 0.000 0.500 284 S N 4.483 120.249 115.700 0.111 0.000 2.422 284 S HA 0.376 4.846 4.470 0.001 0.000 0.298 284 S C 0.235 175.001 174.600 0.277 0.000 1.118 284 S CA -0.921 57.373 58.200 0.158 0.000 1.083 284 S CB 0.356 63.559 63.200 0.005 0.000 0.971 284 S HN 0.461 nan 8.310 nan 0.000 0.478 285 I N 3.198 123.946 120.570 0.297 0.000 2.441 285 I HA 0.236 4.407 4.170 0.001 0.000 0.287 285 I C 0.602 176.846 176.117 0.211 0.000 1.049 285 I CA -0.168 61.308 61.300 0.293 0.000 1.381 285 I CB 0.649 38.883 38.000 0.390 0.000 1.409 285 I HN 0.688 nan 8.210 nan 0.000 0.523 286 Q N 6.268 126.133 119.800 0.108 0.000 2.278 286 Q HA 0.481 4.822 4.340 0.001 0.000 0.257 286 Q C -0.998 174.909 176.000 -0.155 0.000 0.928 286 Q CA -0.577 55.059 55.803 -0.278 0.000 0.932 286 Q CB 1.310 29.794 28.738 -0.424 0.000 1.221 286 Q HN 0.532 nan 8.270 nan 0.000 0.434 287 I N 4.247 124.715 120.570 -0.170 0.000 2.325 287 I HA 0.173 4.344 4.170 0.001 0.000 0.291 287 I C 0.655 176.734 176.117 -0.063 0.000 1.019 287 I CA -0.507 60.774 61.300 -0.031 0.000 1.302 287 I CB 1.209 39.258 38.000 0.080 0.000 1.401 287 I HN 0.671 nan 8.210 nan 0.000 0.485 288 T N 3.128 117.613 114.554 -0.116 0.000 2.899 288 T HA 0.639 4.989 4.350 0.001 0.000 0.284 288 T C 0.370 174.844 174.700 -0.377 0.000 1.004 288 T CA -0.847 61.127 62.100 -0.210 0.000 1.043 288 T CB 1.633 70.384 68.868 -0.195 0.000 1.013 288 T HN 0.626 nan 8.240 nan 0.000 0.518 289 A N 2.731 125.079 122.820 -0.787 0.000 2.429 289 A HA 0.550 4.871 4.320 0.001 0.000 0.242 289 A C -2.030 175.066 177.584 -0.814 0.000 1.088 289 A CA -1.228 49.925 52.037 -1.474 0.000 0.784 289 A CB -1.079 16.725 19.000 -1.993 0.000 1.038 289 A HN 0.768 nan 8.150 nan 0.000 0.501 290 P HA 0.247 nan 4.420 nan 0.000 0.271 290 P C 0.747 177.849 177.300 -0.330 0.000 1.244 290 P CA 0.537 63.402 63.100 -0.392 0.000 0.793 290 P CB 0.479 32.014 31.700 -0.276 0.000 0.984 291 A N 0.914 123.613 122.820 -0.203 0.000 1.933 291 A HA -0.161 4.160 4.320 0.001 0.000 0.218 291 A C 2.080 179.580 177.584 -0.140 0.000 1.175 291 A CA 2.195 54.138 52.037 -0.157 0.000 0.628 291 A CB -1.842 17.094 19.000 -0.106 0.000 0.814 291 A HN 0.615 nan 8.150 nan 0.000 0.444 292 S N -1.450 114.185 115.700 -0.108 0.000 2.507 292 S HA -0.043 4.428 4.470 0.001 0.000 0.235 292 S C 1.696 176.256 174.600 -0.067 0.000 0.988 292 S CA 1.371 59.534 58.200 -0.062 0.000 0.944 292 S CB -0.238 62.987 63.200 0.042 0.000 0.762 292 S HN 0.365 nan 8.310 nan 0.000 0.526 293 M N 0.632 120.133 119.600 -0.165 0.000 2.556 293 M HA 0.383 4.864 4.480 0.001 0.000 0.264 293 M C 1.957 178.137 176.300 -0.201 0.000 1.163 293 M CA 0.688 55.860 55.300 -0.213 0.000 1.186 293 M CB -1.112 31.190 32.600 -0.497 0.000 1.321 293 M HN 0.324 nan 8.290 nan 0.000 0.485 294 L N 1.062 122.122 121.223 -0.272 0.000 2.456 294 L HA -0.120 4.221 4.340 0.001 0.000 0.224 294 L C 2.238 179.089 176.870 -0.032 0.000 1.148 294 L CA 0.427 55.181 54.840 -0.143 0.000 0.825 294 L CB -0.528 41.416 42.059 -0.191 0.000 0.937 294 L HN 0.289 nan 8.230 nan 0.000 0.450 295 I N -2.806 117.735 120.570 -0.049 0.000 2.454 295 I HA 0.031 4.201 4.170 0.001 0.000 0.254 295 I C 1.137 177.247 176.117 -0.012 0.000 1.156 295 I CA 0.830 62.109 61.300 -0.036 0.000 1.433 295 I CB -0.635 37.333 38.000 -0.054 0.000 1.082 295 I HN 0.107 nan 8.210 nan 0.000 0.432 296 G N 0.071 108.880 108.800 0.015 0.000 2.827 296 G HA2 0.309 4.270 3.960 0.001 0.000 0.296 296 G HA3 0.309 4.270 3.960 0.001 0.000 0.296 296 G C -1.734 173.179 174.900 0.022 0.000 1.362 296 G CA -0.564 44.541 45.100 0.008 0.000 0.809 296 G HN 0.000 nan 8.290 nan 0.000 0.522 297 D N 1.365 121.732 120.400 -0.055 0.000 2.487 297 D HA 0.278 4.919 4.640 0.001 0.000 0.243 297 D C 0.580 176.765 176.300 -0.190 0.000 1.154 297 D CA 0.759 54.658 54.000 -0.169 0.000 0.876 297 D CB 0.179 40.875 40.800 -0.174 0.000 1.161 297 D HN 0.512 nan 8.370 nan 0.000 0.478 298 H N 0.008 118.946 119.070 -0.220 0.000 2.931 298 H HA 0.560 5.117 4.556 0.001 0.000 0.331 298 H C -1.124 174.059 175.328 -0.241 0.000 1.273 298 H CA -0.832 55.108 56.048 -0.179 0.000 1.171 298 H CB 0.750 30.517 29.762 0.008 0.000 1.898 298 H HN 0.270 nan 8.280 nan 0.000 0.562 299 Y N -0.336 120.258 120.300 0.490 0.000 2.581 299 Y HA 0.353 4.904 4.550 0.001 0.000 0.345 299 Y C -0.642 175.568 175.900 0.517 0.000 1.036 299 Y CA -1.136 57.243 58.100 0.465 0.000 1.042 299 Y CB 2.008 40.556 38.460 0.147 0.000 1.289 299 Y HN 0.470 nan 8.280 nan 0.000 0.471 300 L N 2.803 124.347 121.223 0.535 0.000 2.255 300 L HA 0.397 4.738 4.340 0.001 0.000 0.289 300 L C 0.380 177.248 176.870 -0.002 0.000 1.046 300 L CA -0.275 54.479 54.840 -0.144 0.000 0.816 300 L CB 0.284 42.101 42.059 -0.403 0.000 1.197 300 L HN 0.980 nan 8.230 nan 0.000 0.427 301 C N 1.208 120.399 119.300 -0.182 0.000 3.228 301 C HA 0.488 4.948 4.460 0.001 0.000 0.290 301 C C 0.242 175.121 174.990 -0.184 0.000 1.301 301 C CA -0.436 58.421 59.018 -0.269 0.000 1.703 301 C CB -0.628 27.009 27.740 -0.172 0.000 2.141 301 C HN 0.824 nan 8.230 nan 0.000 0.656 302 D N 0.427 120.732 120.400 -0.158 0.000 2.937 302 D HA 0.408 5.049 4.640 0.001 0.000 0.215 302 D C -1.697 174.370 176.300 -0.389 0.000 1.274 302 D CA 0.127 54.058 54.000 -0.115 0.000 0.869 302 D CB 2.753 43.462 40.800 -0.153 0.000 1.675 302 D HN 0.060 nan 8.370 nan 0.000 0.538 303 V N 2.400 122.029 119.914 -0.476 0.000 2.555 303 V HA 0.670 4.791 4.120 0.001 0.000 0.302 303 V C -0.131 175.633 176.094 -0.550 0.000 1.038 303 V CA -0.328 61.445 62.300 -0.878 0.000 0.887 303 V CB 1.998 32.732 31.823 -1.815 0.000 0.991 303 V HN 0.665 nan 8.190 nan 0.000 0.434 304 T N 3.360 117.637 114.554 -0.462 0.000 3.335 304 T HA 0.267 4.617 4.350 0.001 0.000 0.321 304 T C -0.987 173.609 174.700 -0.172 0.000 0.960 304 T CA -0.483 61.518 62.100 -0.165 0.000 1.034 304 T CB 0.548 69.397 68.868 -0.031 0.000 1.040 304 T HN 0.543 nan 8.240 nan 0.000 0.454 305 W N 2.583 123.866 121.300 -0.028 0.000 2.251 305 W HA 0.433 5.093 4.660 0.001 0.000 0.327 305 W C 1.192 177.650 176.519 -0.101 0.000 1.361 305 W CA -0.184 57.140 57.345 -0.034 0.000 1.234 305 W CB 0.500 30.006 29.460 0.078 0.000 1.212 305 W HN 0.852 nan 8.180 nan 0.000 0.557 306 A N 2.412 125.150 122.820 -0.137 0.000 1.920 306 A HA 0.181 4.502 4.320 0.001 0.000 0.209 306 A C 0.919 178.449 177.584 -0.090 0.000 1.229 306 A CA 1.501 53.193 52.037 -0.575 0.000 0.671 306 A CB -0.360 17.703 19.000 -1.561 0.000 0.886 306 A HN 0.513 nan 8.150 nan 0.000 0.461 307 T N -5.504 109.100 114.554 0.084 0.000 2.696 307 T HA 0.366 4.717 4.350 0.001 0.000 0.291 307 T C 0.249 175.132 174.700 0.304 0.000 1.095 307 T CA -0.474 61.727 62.100 0.169 0.000 1.026 307 T CB 0.793 69.732 68.868 0.117 0.000 1.390 307 T HN -0.012 nan 8.240 nan 0.000 0.513 308 Q N 0.365 120.297 119.800 0.220 0.000 2.197 308 Q HA -0.109 4.232 4.340 0.001 0.000 0.207 308 Q C 1.116 177.357 176.000 0.401 0.000 0.984 308 Q CA 1.837 57.776 55.803 0.226 0.000 0.869 308 Q CB -0.196 28.638 28.738 0.160 0.000 0.906 308 Q HN 0.837 nan 8.270 nan 0.000 0.426 309 E N -0.656 119.769 120.200 0.375 0.000 2.676 309 E HA 0.154 4.504 4.350 0.001 0.000 0.222 309 E C -0.039 176.768 176.600 0.345 0.000 0.968 309 E CA -0.192 56.413 56.400 0.342 0.000 1.090 309 E CB 0.987 30.812 29.700 0.207 0.000 1.066 309 E HN -0.011 nan 8.360 nan 0.000 0.496 310 R N 1.504 122.231 120.500 0.379 0.000 2.561 310 R HA 0.541 4.882 4.340 0.001 0.000 0.297 310 R C -1.602 174.732 176.300 0.057 0.000 0.969 310 R CA -0.415 55.807 56.100 0.204 0.000 0.879 310 R CB 1.241 31.547 30.300 0.011 0.000 1.178 310 R HN 0.017 nan 8.270 nan 0.000 0.445 311 I N 2.826 123.299 120.570 -0.162 0.000 2.689 311 I HA 0.415 4.585 4.170 0.001 0.000 0.299 311 I C -1.022 174.826 176.117 -0.449 0.000 1.059 311 I CA -0.648 60.298 61.300 -0.590 0.000 1.055 311 I CB 2.452 39.663 38.000 -1.315 0.000 1.243 311 I HN 0.882 nan 8.210 nan 0.000 0.425 312 S N 7.365 122.794 115.700 -0.451 0.000 2.478 312 S HA 0.654 5.124 4.470 0.001 0.000 0.312 312 S C -1.105 173.213 174.600 -0.470 0.000 1.094 312 S CA -0.809 57.195 58.200 -0.327 0.000 1.081 312 S CB 1.509 64.644 63.200 -0.108 0.000 1.007 312 S HN 0.377 nan 8.310 nan 0.000 0.475 313 L N 2.676 123.628 121.223 -0.451 0.000 2.325 313 L HA 0.570 4.910 4.340 0.001 0.000 0.278 313 L C 0.172 176.773 176.870 -0.448 0.000 1.023 313 L CA -0.182 54.289 54.840 -0.615 0.000 0.811 313 L CB 1.333 43.021 42.059 -0.620 0.000 1.249 313 L HN 0.847 nan 8.230 nan 0.000 0.431 314 Q N 1.855 121.328 119.800 -0.545 0.000 2.330 314 Q HA 0.412 4.753 4.340 0.001 0.000 0.269 314 Q C -1.654 174.104 176.000 -0.403 0.000 1.022 314 Q CA -0.458 55.143 55.803 -0.336 0.000 0.796 314 Q CB 2.198 30.791 28.738 -0.241 0.000 1.271 314 Q HN 0.484 nan 8.270 nan 0.000 0.450 315 W N 2.595 123.831 121.300 -0.108 0.000 2.761 315 W HA 0.615 5.276 4.660 0.001 0.000 0.340 315 W C -0.766 175.767 176.519 0.024 0.000 1.072 315 W CA -0.486 56.842 57.345 -0.028 0.000 1.215 315 W CB 1.248 30.659 29.460 -0.081 0.000 1.420 315 W HN 0.299 nan 8.180 nan 0.000 0.519 316 L N 3.099 124.549 121.223 0.378 0.000 2.365 316 L HA 0.538 4.879 4.340 0.001 0.000 0.273 316 L C 0.314 177.378 176.870 0.324 0.000 1.000 316 L CA -1.193 53.832 54.840 0.309 0.000 0.819 316 L CB 1.517 43.766 42.059 0.316 0.000 1.284 316 L HN 0.422 nan 8.230 nan 0.000 0.418 317 R N 2.119 122.770 120.500 0.253 0.000 2.594 317 R HA 0.119 4.460 4.340 0.001 0.000 0.272 317 R C 0.954 177.328 176.300 0.124 0.000 1.074 317 R CA -0.195 56.007 56.100 0.170 0.000 1.105 317 R CB 0.934 31.331 30.300 0.162 0.000 1.008 317 R HN 0.632 nan 8.270 nan 0.000 0.472 318 R N 1.863 122.349 120.500 -0.024 0.000 2.096 318 R HA -0.109 4.232 4.340 0.001 0.000 0.240 318 R C 0.462 176.817 176.300 0.093 0.000 1.139 318 R CA 1.370 57.453 56.100 -0.027 0.000 0.952 318 R CB -0.106 30.125 30.300 -0.115 0.000 0.854 318 R HN 0.510 nan 8.270 nan 0.000 0.436 319 I N 2.469 123.077 120.570 0.063 0.000 2.483 319 I HA -0.051 4.120 4.170 0.001 0.000 0.291 319 I C 0.211 176.391 176.117 0.105 0.000 1.112 319 I CA 0.544 61.886 61.300 0.069 0.000 1.350 319 I CB 1.026 39.054 38.000 0.048 0.000 1.419 319 I HN 0.266 nan 8.210 nan 0.000 0.523 320 Q N 5.614 125.473 119.800 0.098 0.000 2.620 320 Q HA 0.050 4.391 4.340 0.001 0.000 0.333 320 Q C 0.429 176.510 176.000 0.135 0.000 1.017 320 Q CA -0.145 55.731 55.803 0.123 0.000 0.962 320 Q CB -0.225 28.554 28.738 0.068 0.000 1.297 320 Q HN 0.652 nan 8.270 nan 0.000 0.419 321 N N -0.531 118.251 118.700 0.135 0.000 2.235 321 N HA -0.016 4.724 4.740 0.001 0.000 0.231 321 N C -1.135 174.486 175.510 0.185 0.000 1.177 321 N CA -0.217 52.905 53.050 0.120 0.000 0.874 321 N CB 0.398 38.931 38.487 0.077 0.000 1.097 321 N HN 0.199 nan 8.380 nan 0.000 0.518 322 Y N 1.152 121.478 120.300 0.044 0.000 2.362 322 Y HA 0.520 5.071 4.550 0.001 0.000 0.326 322 Y C -1.299 174.636 175.900 0.059 0.000 1.083 322 Y CA -0.813 57.310 58.100 0.039 0.000 1.073 322 Y CB 1.493 39.968 38.460 0.026 0.000 1.211 322 Y HN 0.176 nan 8.280 nan 0.000 0.433 323 S N 3.923 119.429 115.700 -0.323 0.000 2.564 323 S HA 0.900 5.370 4.470 0.001 0.000 0.274 323 S C -2.003 172.422 174.600 -0.292 0.000 1.124 323 S CA -0.826 57.272 58.200 -0.170 0.000 0.869 323 S CB 1.922 65.093 63.200 -0.049 0.000 1.105 323 S HN 0.446 nan 8.310 nan 0.000 0.472 324 V N 2.964 122.819 119.914 -0.098 0.000 2.531 324 V HA 0.482 4.602 4.120 0.001 0.000 0.301 324 V C -0.396 175.704 176.094 0.010 0.000 1.034 324 V CA -0.614 61.644 62.300 -0.070 0.000 0.865 324 V CB 1.729 33.544 31.823 -0.014 0.000 0.995 324 V HN 1.032 nan 8.190 nan 0.000 0.424 325 M N 4.442 124.021 119.600 -0.035 0.000 2.077 325 M HA 0.377 4.858 4.480 0.001 0.000 0.348 325 M C -0.752 175.545 176.300 -0.004 0.000 1.252 325 M CA -0.188 55.070 55.300 -0.070 0.000 1.096 325 M CB 0.370 32.854 32.600 -0.193 0.000 1.568 325 M HN 0.600 nan 8.290 nan 0.000 0.456 326 D N 5.654 126.057 120.400 0.006 0.000 2.210 326 D HA 0.407 5.048 4.640 0.001 0.000 0.249 326 D C -0.825 175.446 176.300 -0.048 0.000 1.078 326 D CA 0.049 54.053 54.000 0.008 0.000 0.875 326 D CB 1.502 42.326 40.800 0.039 0.000 1.175 326 D HN 0.613 nan 8.370 nan 0.000 0.440 327 I N 2.766 123.334 120.570 -0.003 0.000 2.382 327 I HA 0.216 4.387 4.170 0.001 0.000 0.286 327 I C -0.501 175.616 176.117 0.001 0.000 1.002 327 I CA -0.460 60.829 61.300 -0.017 0.000 1.135 327 I CB 1.192 39.225 38.000 0.055 0.000 1.288 327 I HN 0.209 nan 8.210 nan 0.000 0.448 328 c N 4.158 122.752 118.600 -0.010 0.000 2.379 328 c HA 0.533 5.103 4.570 0.001 0.000 0.323 328 c C -0.398 173.823 174.090 0.218 0.000 1.262 328 c CA -0.869 55.519 56.329 0.098 0.000 1.581 328 c CB 0.917 43.494 42.510 0.111 0.000 2.221 328 c HN 0.568 nan 8.230 nan 0.000 0.497 329 D N 0.481 120.971 120.400 0.150 0.000 2.198 329 D HA 0.260 4.901 4.640 0.001 0.000 0.247 329 D C -0.691 175.471 176.300 -0.229 0.000 1.010 329 D CA -0.224 53.796 54.000 0.033 0.000 0.880 329 D CB 1.085 41.873 40.800 -0.021 0.000 1.209 329 D HN 0.621 nan 8.370 nan 0.000 0.451 330 Y N 1.793 121.580 120.300 -0.856 0.000 2.436 330 Y HA 0.105 4.656 4.550 0.001 0.000 0.343 330 Y C 0.008 175.567 175.900 -0.569 0.000 1.008 330 Y CA -0.254 57.041 58.100 -1.342 0.000 1.241 330 Y CB 0.507 37.969 38.460 -1.663 0.000 1.153 330 Y HN 0.179 nan 8.280 nan 0.000 0.521 331 D N 6.060 125.926 120.400 -0.890 0.000 2.295 331 D HA 0.026 4.667 4.640 0.001 0.000 0.248 331 D C 0.471 176.219 176.300 -0.920 0.000 1.154 331 D CA 0.110 53.724 54.000 -0.643 0.000 0.857 331 D CB 1.054 41.627 40.800 -0.379 0.000 1.117 331 D HN 0.859 nan 8.370 nan 0.000 0.468 332 E N 1.546 121.399 120.200 -0.578 0.000 2.031 332 E HA -0.195 4.156 4.350 0.001 0.000 0.193 332 E C 1.952 178.414 176.600 -0.229 0.000 0.994 332 E CA 1.445 57.630 56.400 -0.359 0.000 0.800 332 E CB 0.081 29.735 29.700 -0.077 0.000 0.752 332 E HN 0.591 nan 8.360 nan 0.000 0.447 333 S N 0.333 115.932 115.700 -0.169 0.000 2.382 333 S HA -0.123 4.348 4.470 0.001 0.000 0.228 333 S C 2.213 176.744 174.600 -0.116 0.000 1.027 333 S CA 1.400 59.538 58.200 -0.104 0.000 0.991 333 S CB -0.103 63.051 63.200 -0.077 0.000 0.823 333 S HN -0.004 nan 8.310 nan 0.000 0.469 334 S N 1.064 116.653 115.700 -0.186 0.000 2.344 334 S HA 0.265 4.735 4.470 0.001 0.000 0.217 334 S C 1.816 176.345 174.600 -0.117 0.000 1.033 334 S CA 1.594 59.702 58.200 -0.155 0.000 1.017 334 S CB -1.091 61.989 63.200 -0.199 0.000 0.941 334 S HN 1.313 nan 8.310 nan 0.000 0.430 335 G N 0.813 109.479 108.800 -0.223 0.000 2.194 335 G HA2 -0.206 3.755 3.960 0.001 0.000 0.236 335 G HA3 -0.206 3.755 3.960 0.001 0.000 0.236 335 G C 0.117 175.073 174.900 0.094 0.000 0.987 335 G CA 0.082 45.194 45.100 0.020 0.000 0.635 335 G HN 0.506 nan 8.290 nan 0.000 0.520 336 R N -1.294 119.153 120.500 -0.088 0.000 2.797 336 R HA 0.697 5.037 4.340 0.001 0.000 0.251 336 R C -0.782 175.449 176.300 -0.115 0.000 1.107 336 R CA -0.797 55.333 56.100 0.050 0.000 1.084 336 R CB 0.853 31.179 30.300 0.044 0.000 1.205 336 R HN 0.128 nan 8.270 nan 0.000 0.515 337 W N 0.214 121.522 121.300 0.012 0.000 2.606 337 W HA 0.417 5.078 4.660 0.001 0.000 0.332 337 W C -0.429 176.068 176.519 -0.037 0.000 1.052 337 W CA -0.434 56.907 57.345 -0.006 0.000 1.223 337 W CB 1.420 30.878 29.460 -0.002 0.000 1.383 337 W HN 0.280 nan 8.180 nan 0.000 0.524 338 N N 2.093 120.881 118.700 0.147 0.000 2.430 338 N HA 0.353 5.094 4.740 0.001 0.000 0.290 338 N C -1.766 173.781 175.510 0.061 0.000 1.063 338 N CA -0.481 52.606 53.050 0.062 0.000 0.883 338 N CB 1.558 40.038 38.487 -0.012 0.000 1.465 338 N HN 0.229 nan 8.380 nan 0.000 0.493 339 c N 2.768 121.391 118.600 0.039 0.000 2.239 339 c HA 0.486 5.057 4.570 0.001 0.000 0.323 339 c C 0.754 174.845 174.090 0.003 0.000 1.205 339 c CA -1.101 55.241 56.329 0.022 0.000 1.584 339 c CB -1.266 41.249 42.510 0.008 0.000 2.201 339 c HN 0.528 nan 8.230 nan 0.000 0.475 340 L N 3.089 124.317 121.223 0.007 0.000 2.367 340 L HA 0.161 4.501 4.340 0.001 0.000 0.275 340 L C 1.496 178.363 176.870 -0.006 0.000 1.129 340 L CA -0.151 54.688 54.840 -0.002 0.000 0.839 340 L CB 0.484 42.544 42.059 0.002 0.000 1.133 340 L HN 0.620 nan 8.230 nan 0.000 0.453 341 V N 1.897 121.800 119.914 -0.019 0.000 2.546 341 V HA -0.323 3.798 4.120 0.001 0.000 0.254 341 V C 2.244 178.320 176.094 -0.030 0.000 1.076 341 V CA 2.020 64.304 62.300 -0.026 0.000 1.087 341 V CB -1.117 30.687 31.823 -0.031 0.000 0.674 341 V HN 1.008 nan 8.190 nan 0.000 0.470 342 A N 0.031 122.837 122.820 -0.024 0.000 2.206 342 A HA -0.025 4.296 4.320 0.001 0.000 0.211 342 A C 2.121 179.685 177.584 -0.033 0.000 1.158 342 A CA 0.655 52.672 52.037 -0.034 0.000 0.761 342 A CB -0.243 18.744 19.000 -0.021 0.000 0.801 342 A HN 0.546 nan 8.150 nan 0.000 0.473 343 R N -0.187 120.316 120.500 0.006 0.000 2.397 343 R HA 0.149 4.490 4.340 0.001 0.000 0.241 343 R C -0.183 176.187 176.300 0.115 0.000 0.914 343 R CA -0.131 56.018 56.100 0.082 0.000 1.071 343 R CB 0.030 30.401 30.300 0.118 0.000 1.116 343 R HN 0.575 nan 8.270 nan 0.000 0.524 344 Q N 1.278 121.083 119.800 0.008 0.000 2.311 344 Q HA 0.050 4.390 4.340 0.001 0.000 0.272 344 Q C -0.868 175.088 176.000 -0.073 0.000 1.012 344 Q CA 0.613 56.423 55.803 0.012 0.000 0.891 344 Q CB 0.585 29.310 28.738 -0.023 0.000 1.201 344 Q HN 0.167 nan 8.270 nan 0.000 0.391 345 H N 1.829 120.878 119.070 -0.034 0.000 2.539 345 H HA 0.394 4.950 4.556 0.001 0.000 0.332 345 H C -0.706 174.562 175.328 -0.099 0.000 1.031 345 H CA -0.417 55.606 56.048 -0.042 0.000 1.206 345 H CB 0.875 30.608 29.762 -0.047 0.000 1.446 345 H HN 0.460 nan 8.280 nan 0.000 0.496 346 I N 2.376 122.935 120.570 -0.019 0.000 2.353 346 I HA 0.220 4.391 4.170 0.001 0.000 0.293 346 I C 0.094 176.144 176.117 -0.112 0.000 0.992 346 I CA -0.168 61.045 61.300 -0.146 0.000 1.268 346 I CB 1.168 39.079 38.000 -0.148 0.000 1.387 346 I HN 0.548 nan 8.210 nan 0.000 0.478 347 E N 8.298 128.380 120.200 -0.196 0.000 2.224 347 E HA 0.666 5.017 4.350 0.001 0.000 0.265 347 E C -1.218 175.289 176.600 -0.155 0.000 0.878 347 E CA -0.734 55.600 56.400 -0.110 0.000 0.759 347 E CB 1.612 31.273 29.700 -0.065 0.000 1.164 347 E HN 0.634 nan 8.360 nan 0.000 0.414 348 M N 1.085 120.650 119.600 -0.058 0.000 2.683 348 M HA 0.615 5.096 4.480 0.001 0.000 0.274 348 M C -1.330 174.979 176.300 0.015 0.000 1.272 348 M CA -0.950 54.350 55.300 0.000 0.000 0.833 348 M CB 2.238 34.895 32.600 0.095 0.000 1.708 348 M HN 0.276 nan 8.290 nan 0.000 0.463 349 S N -0.534 115.172 115.700 0.010 0.000 2.547 349 S HA 0.585 5.056 4.470 0.001 0.000 0.281 349 S C 0.197 174.774 174.600 -0.039 0.000 1.118 349 S CA 0.103 58.284 58.200 -0.032 0.000 0.947 349 S CB 1.891 65.032 63.200 -0.100 0.000 1.053 349 S HN 0.927 nan 8.310 nan 0.000 0.482 350 T N 0.158 114.690 114.554 -0.038 0.000 3.044 350 T HA 0.044 4.395 4.350 0.001 0.000 0.255 350 T C 1.495 176.151 174.700 -0.073 0.000 1.073 350 T CA 1.033 63.112 62.100 -0.036 0.000 1.125 350 T CB -0.681 68.179 68.868 -0.013 0.000 0.908 350 T HN 0.689 nan 8.240 nan 0.000 0.480 351 T N -1.062 113.427 114.554 -0.109 0.000 3.100 351 T HA 0.576 4.926 4.350 0.001 0.000 0.253 351 T C 1.159 175.591 174.700 -0.445 0.000 1.118 351 T CA 0.220 62.238 62.100 -0.136 0.000 1.058 351 T CB 0.237 69.118 68.868 0.023 0.000 0.953 351 T HN 0.679 nan 8.240 nan 0.000 0.515 352 G N 0.745 109.122 108.800 -0.705 0.000 2.565 352 G HA2 0.439 4.399 3.960 0.001 0.000 0.142 352 G HA3 0.439 4.399 3.960 0.001 0.000 0.142 352 G C -1.819 172.833 174.900 -0.414 0.000 1.181 352 G CA -0.558 44.016 45.100 -0.877 0.000 1.066 352 G HN 0.485 nan 8.290 nan 0.000 0.530 353 W N 0.348 121.418 121.300 -0.384 0.000 2.509 353 W HA 0.759 5.420 4.660 0.001 0.000 0.351 353 W C 0.059 176.559 176.519 -0.032 0.000 1.107 353 W CA -1.317 55.943 57.345 -0.143 0.000 1.264 353 W CB 1.314 30.694 29.460 -0.133 0.000 1.312 353 W HN 0.570 nan 8.180 nan 0.000 0.608 354 V N 4.386 124.357 119.914 0.096 0.000 2.461 354 V HA 0.764 4.885 4.120 0.001 0.000 0.275 354 V C 0.444 176.595 176.094 0.094 0.000 1.047 354 V CA 0.708 63.025 62.300 0.029 0.000 0.955 354 V CB 0.050 31.890 31.823 0.028 0.000 0.988 354 V HN 1.817 nan 8.190 nan 0.000 0.471 355 G N 5.736 114.548 108.800 0.020 0.000 2.746 355 G HA2 -0.185 3.776 3.960 0.001 0.000 0.685 355 G HA3 -0.185 3.776 3.960 0.001 0.000 0.685 355 G C 0.117 175.067 174.900 0.084 0.000 1.350 355 G CA 0.179 45.320 45.100 0.068 0.000 0.837 355 G HN 0.913 nan 8.290 nan 0.000 0.564 356 R N -0.745 119.793 120.500 0.065 0.000 2.062 356 R HA 0.186 4.527 4.340 0.001 0.000 0.229 356 R C 1.742 177.897 176.300 -0.241 0.000 1.128 356 R CA 2.141 58.191 56.100 -0.083 0.000 0.960 356 R CB -0.080 30.169 30.300 -0.086 0.000 0.855 356 R HN 0.495 nan 8.270 nan 0.000 0.432 357 F N -1.103 119.003 119.950 0.260 0.000 2.880 357 F HA 0.265 4.792 4.527 0.001 0.000 0.346 357 F C 0.001 175.848 175.800 0.079 0.000 1.054 357 F CA -0.561 57.544 58.000 0.175 0.000 1.151 357 F CB 0.793 39.886 39.000 0.155 0.000 1.066 357 F HN -0.152 nan 8.300 nan 0.000 0.566 358 R N -1.116 119.530 120.500 0.243 0.000 2.709 358 R HA 0.462 4.803 4.340 0.001 0.000 0.270 358 R C -3.362 172.997 176.300 0.098 0.000 1.038 358 R CA -1.935 54.233 56.100 0.113 0.000 0.872 358 R CB 0.230 30.550 30.300 0.033 0.000 1.259 358 R HN -0.362 nan 8.270 nan 0.000 0.473 359 P HA -0.072 nan 4.420 nan 0.000 0.266 359 P C -0.381 176.937 177.300 0.030 0.000 1.186 359 P CA 0.188 63.302 63.100 0.022 0.000 0.767 359 P CB 0.665 32.350 31.700 -0.026 0.000 0.820 360 S N 1.502 117.225 115.700 0.038 0.000 2.592 360 S HA 0.129 4.599 4.470 0.001 0.000 0.271 360 S C 0.074 174.689 174.600 0.025 0.000 1.326 360 S CA -0.687 57.555 58.200 0.070 0.000 1.024 360 S CB 0.073 63.336 63.200 0.105 0.000 0.921 360 S HN 0.427 nan 8.310 nan 0.000 0.527 361 E N 3.673 123.911 120.200 0.063 0.000 2.354 361 E HA 0.354 4.705 4.350 0.001 0.000 0.269 361 E C -2.842 173.737 176.600 -0.034 0.000 1.036 361 E CA -2.188 54.204 56.400 -0.013 0.000 0.876 361 E CB 0.115 29.819 29.700 0.007 0.000 1.009 361 E HN 0.230 nan 8.360 nan 0.000 0.416 362 P HA 0.272 nan 4.420 nan 0.000 0.288 362 P C -0.796 176.337 177.300 -0.279 0.000 1.267 362 P CA -0.302 62.607 63.100 -0.319 0.000 0.815 362 P CB 0.611 31.742 31.700 -0.947 0.000 0.989 363 H N 2.403 121.443 119.070 -0.050 0.000 2.685 363 H HA 0.287 4.844 4.556 0.001 0.000 0.307 363 H C -0.364 175.056 175.328 0.154 0.000 1.017 363 H CA -0.328 55.786 56.048 0.111 0.000 1.237 363 H CB 0.347 30.222 29.762 0.188 0.000 1.409 363 H HN 0.337 nan 8.280 nan 0.000 0.488 364 F N 1.956 122.095 119.950 0.315 0.000 2.399 364 F HA 0.051 4.578 4.527 0.001 0.000 0.342 364 F C 1.476 177.470 175.800 0.323 0.000 1.106 364 F CA -0.536 57.651 58.000 0.312 0.000 1.196 364 F CB 1.078 40.193 39.000 0.192 0.000 1.163 364 F HN 0.379 nan 8.300 nan 0.000 0.547 365 T N 1.997 116.866 114.554 0.525 0.000 2.898 365 T HA 0.054 4.405 4.350 0.001 0.000 0.301 365 T C 1.360 176.256 174.700 0.327 0.000 1.049 365 T CA -0.914 61.427 62.100 0.402 0.000 1.095 365 T CB 0.907 69.997 68.868 0.371 0.000 0.976 365 T HN 0.649 nan 8.240 nan 0.000 0.539 366 L N 1.462 122.833 121.223 0.246 0.000 2.034 366 L HA -0.195 4.146 4.340 0.001 0.000 0.217 366 L C 2.152 179.126 176.870 0.173 0.000 1.077 366 L CA 2.985 57.940 54.840 0.193 0.000 0.769 366 L CB -1.323 40.826 42.059 0.151 0.000 0.890 366 L HN 1.008 nan 8.230 nan 0.000 0.435 367 D N -1.280 119.221 120.400 0.167 0.000 2.378 367 D HA -0.021 4.619 4.640 0.001 0.000 0.222 367 D C 1.575 177.961 176.300 0.142 0.000 0.980 367 D CA 1.055 55.140 54.000 0.140 0.000 0.907 367 D CB -0.411 40.465 40.800 0.125 0.000 0.899 367 D HN 0.563 nan 8.370 nan 0.000 0.527 368 G N 0.499 109.409 108.800 0.184 0.000 2.234 368 G HA2 -0.368 3.593 3.960 0.001 0.000 0.260 368 G HA3 -0.368 3.593 3.960 0.001 0.000 0.260 368 G C 1.128 176.169 174.900 0.235 0.000 0.987 368 G CA 0.355 45.539 45.100 0.141 0.000 0.625 368 G HN 0.405 nan 8.290 nan 0.000 0.532 369 N N 0.332 119.169 118.700 0.229 0.000 2.463 369 N HA 0.180 4.921 4.740 0.001 0.000 0.181 369 N C 0.544 176.187 175.510 0.222 0.000 1.078 369 N CA 1.179 54.351 53.050 0.204 0.000 0.902 369 N CB 0.470 39.039 38.487 0.137 0.000 0.970 369 N HN 0.427 nan 8.380 nan 0.000 0.451 370 S N -0.396 115.479 115.700 0.292 0.000 2.564 370 S HA 0.682 5.153 4.470 0.001 0.000 0.274 370 S C -1.590 173.157 174.600 0.244 0.000 1.124 370 S CA -0.782 57.492 58.200 0.123 0.000 0.869 370 S CB 0.986 64.245 63.200 0.099 0.000 1.105 370 S HN 0.166 nan 8.310 nan 0.000 0.472 371 F N 0.462 120.297 119.950 -0.193 0.000 2.631 371 F HA 0.746 5.273 4.527 0.001 0.000 0.308 371 F C -1.859 173.799 175.800 -0.236 0.000 1.097 371 F CA -1.253 56.577 58.000 -0.284 0.000 0.952 371 F CB 0.562 39.035 39.000 -0.878 0.000 1.307 371 F HN 0.459 nan 8.300 nan 0.000 0.450 372 Y N 1.410 121.850 120.300 0.235 0.000 2.387 372 Y HA 0.676 5.226 4.550 0.001 0.000 0.330 372 Y C -0.067 175.999 175.900 0.277 0.000 1.133 372 Y CA -0.675 57.550 58.100 0.209 0.000 1.152 372 Y CB 1.951 40.485 38.460 0.125 0.000 1.215 372 Y HN 0.733 nan 8.280 nan 0.000 0.466 373 K N 2.310 122.944 120.400 0.390 0.000 2.543 373 K HA 0.480 4.800 4.320 0.001 0.000 0.255 373 K C -1.760 174.991 176.600 0.253 0.000 0.934 373 K CA -0.483 55.992 56.287 0.313 0.000 0.810 373 K CB 1.356 34.010 32.500 0.257 0.000 1.315 373 K HN 0.673 nan 8.250 nan 0.000 0.433 374 I N 6.649 127.335 120.570 0.194 0.000 2.436 374 I HA 0.230 4.401 4.170 0.001 0.000 0.289 374 I C 0.260 176.480 176.117 0.171 0.000 1.083 374 I CA -0.246 61.151 61.300 0.162 0.000 1.372 374 I CB -0.046 38.031 38.000 0.129 0.000 1.408 374 I HN 0.504 nan 8.210 nan 0.000 0.516 375 I N 2.220 122.925 120.570 0.223 0.000 2.934 375 I HA 0.502 4.673 4.170 0.001 0.000 0.306 375 I C -0.154 176.098 176.117 0.225 0.000 1.110 375 I CA -0.790 60.640 61.300 0.217 0.000 1.019 375 I CB 2.158 40.320 38.000 0.269 0.000 1.227 375 I HN 0.346 nan 8.210 nan 0.000 0.434 376 S N 2.921 118.694 115.700 0.121 0.000 2.510 376 S HA 0.216 4.687 4.470 0.001 0.000 0.279 376 S C 0.008 174.660 174.600 0.086 0.000 1.284 376 S CA -0.532 57.687 58.200 0.032 0.000 1.059 376 S CB -0.235 62.929 63.200 -0.060 0.000 0.901 376 S HN 0.837 nan 8.310 nan 0.000 0.491 377 N N 3.448 122.093 118.700 -0.091 0.000 2.366 377 N HA 0.077 4.817 4.740 0.001 0.000 0.277 377 N C 1.010 176.435 175.510 -0.142 0.000 1.275 377 N CA -0.347 52.509 53.050 -0.324 0.000 0.964 377 N CB 0.069 37.965 38.487 -0.984 0.000 1.167 377 N HN 0.689 nan 8.380 nan 0.000 0.568 378 E N -0.892 119.223 120.200 -0.142 0.000 2.515 378 E HA -0.170 4.180 4.350 0.001 0.000 0.201 378 E C -0.151 176.407 176.600 -0.071 0.000 1.071 378 E CA 1.079 57.440 56.400 -0.066 0.000 0.880 378 E CB -0.385 29.292 29.700 -0.039 0.000 0.828 378 E HN 0.809 nan 8.360 nan 0.000 0.540 379 E N -0.204 119.951 120.200 -0.075 0.000 2.501 379 E HA 0.234 4.585 4.350 0.001 0.000 0.200 379 E C 0.544 177.080 176.600 -0.107 0.000 1.016 379 E CA 0.176 56.565 56.400 -0.017 0.000 0.921 379 E CB 0.522 30.284 29.700 0.104 0.000 1.034 379 E HN 0.435 nan 8.360 nan 0.000 0.468 380 G N 1.102 109.803 108.800 -0.165 0.000 2.162 380 G HA2 -0.310 3.650 3.960 0.001 0.000 0.260 380 G HA3 -0.310 3.650 3.960 0.001 0.000 0.260 380 G C -0.303 174.337 174.900 -0.435 0.000 0.976 380 G CA 0.045 44.962 45.100 -0.304 0.000 0.655 380 G HN 0.286 nan 8.290 nan 0.000 0.533 381 Y N 0.251 120.426 120.300 -0.207 0.000 2.326 381 Y HA 0.580 5.131 4.550 0.001 0.000 0.337 381 Y C 1.237 176.982 175.900 -0.258 0.000 1.023 381 Y CA -0.824 57.133 58.100 -0.237 0.000 1.143 381 Y CB 0.944 39.277 38.460 -0.212 0.000 1.183 381 Y HN 0.070 nan 8.280 nan 0.000 0.485 382 R N 3.996 124.390 120.500 -0.178 0.000 2.288 382 R HA 0.175 4.516 4.340 0.001 0.000 0.330 382 R C -0.701 175.374 176.300 -0.376 0.000 1.069 382 R CA 0.148 56.146 56.100 -0.170 0.000 0.941 382 R CB -0.099 30.135 30.300 -0.109 0.000 0.998 382 R HN 0.652 nan 8.270 nan 0.000 0.452 383 H N 1.980 121.032 119.070 -0.030 0.000 2.855 383 H HA 0.317 4.874 4.556 0.001 0.000 0.363 383 H C -0.089 175.316 175.328 0.129 0.000 1.185 383 H CA -1.016 55.000 56.048 -0.054 0.000 1.174 383 H CB 1.640 31.265 29.762 -0.229 0.000 1.857 383 H HN 0.315 nan 8.280 nan 0.000 0.565 384 I N 1.413 122.076 120.570 0.155 0.000 2.436 384 I HA 0.014 4.185 4.170 0.001 0.000 0.289 384 I C 0.495 176.653 176.117 0.069 0.000 1.083 384 I CA 0.210 61.555 61.300 0.075 0.000 1.372 384 I CB 0.124 38.064 38.000 -0.101 0.000 1.408 384 I HN 0.137 nan 8.210 nan 0.000 0.516 385 c N 6.771 125.358 118.600 -0.022 0.000 2.358 385 c HA 0.355 4.926 4.570 0.001 0.000 0.342 385 c C -0.230 173.670 174.090 -0.315 0.000 1.234 385 c CA -0.599 55.463 56.329 -0.444 0.000 1.969 385 c CB 0.665 42.660 42.510 -0.857 0.000 2.346 385 c HN 0.713 nan 8.230 nan 0.000 0.525 386 Y N 4.238 124.133 120.300 -0.675 0.000 2.353 386 Y HA 0.590 5.140 4.550 0.001 0.000 0.340 386 Y C -0.960 174.414 175.900 -0.876 0.000 0.972 386 Y CA -0.551 57.117 58.100 -0.720 0.000 1.157 386 Y CB 0.274 38.429 38.460 -0.508 0.000 1.157 386 Y HN 0.651 nan 8.280 nan 0.000 0.495 387 F N 4.067 123.248 119.950 -1.282 0.000 2.443 387 F HA 0.391 4.919 4.527 0.001 0.000 0.335 387 F C -0.134 174.908 175.800 -1.264 0.000 1.104 387 F CA -0.756 56.449 58.000 -1.326 0.000 1.013 387 F CB 1.776 39.573 39.000 -2.005 0.000 1.136 387 F HN 0.442 nan 8.300 nan 0.000 0.470 388 Q N 1.722 121.161 119.800 -0.602 0.000 2.230 388 Q HA 0.344 4.685 4.340 0.001 0.000 0.253 388 Q C 0.799 176.794 176.000 -0.008 0.000 0.919 388 Q CA -0.336 55.276 55.803 -0.318 0.000 0.908 388 Q CB 1.559 30.160 28.738 -0.229 0.000 1.245 388 Q HN 0.617 nan 8.270 nan 0.000 0.437 389 I N 1.665 122.303 120.570 0.113 0.000 2.399 389 I HA -0.291 3.879 4.170 0.001 0.000 0.254 389 I C 0.743 177.033 176.117 0.288 0.000 1.146 389 I CA 1.676 63.157 61.300 0.301 0.000 1.412 389 I CB 0.004 38.161 38.000 0.261 0.000 1.076 389 I HN 0.679 nan 8.210 nan 0.000 0.432 390 D N -0.470 120.012 120.400 0.137 0.000 2.324 390 D HA 0.040 4.680 4.640 0.001 0.000 0.212 390 D C 0.569 176.876 176.300 0.012 0.000 0.984 390 D CA 0.431 54.469 54.000 0.063 0.000 0.885 390 D CB 0.103 40.922 40.800 0.033 0.000 0.996 390 D HN 0.176 nan 8.370 nan 0.000 0.505 391 K N 1.930 122.337 120.400 0.011 0.000 2.258 391 K HA 0.150 4.470 4.320 0.001 0.000 0.284 391 K C 1.021 177.611 176.600 -0.017 0.000 1.051 391 K CA -0.319 55.949 56.287 -0.032 0.000 0.923 391 K CB 2.391 34.849 32.500 -0.070 0.000 1.046 391 K HN -0.103 nan 8.250 nan 0.000 0.474 392 K N 1.720 122.075 120.400 -0.076 0.000 2.032 392 K HA -0.123 4.198 4.320 0.001 0.000 0.209 392 K C -0.285 176.325 176.600 0.017 0.000 1.048 392 K CA 1.418 57.656 56.287 -0.081 0.000 0.927 392 K CB 0.211 32.662 32.500 -0.081 0.000 0.712 392 K HN 0.560 nan 8.250 nan 0.000 0.441 393 D N 0.975 121.340 120.400 -0.058 0.000 2.304 393 D HA 0.059 4.700 4.640 0.001 0.000 0.250 393 D C 0.322 176.440 176.300 -0.304 0.000 1.107 393 D CA -0.120 53.799 54.000 -0.134 0.000 0.885 393 D CB 1.103 41.834 40.800 -0.115 0.000 1.192 393 D HN 0.321 nan 8.370 nan 0.000 0.436 394 c N 0.444 118.698 118.600 -0.575 0.000 2.548 394 c HA 0.880 5.451 4.570 0.001 0.000 0.412 394 c C 0.249 173.972 174.090 -0.611 0.000 1.588 394 c CA -0.645 55.143 56.329 -0.901 0.000 1.861 394 c CB 0.798 42.157 42.510 -1.920 0.000 1.983 394 c HN 0.611 nan 8.230 nan 0.000 0.497 395 T N -0.990 113.228 114.554 -0.559 0.000 2.876 395 T HA 0.576 4.927 4.350 0.001 0.000 0.289 395 T C -1.000 173.460 174.700 -0.399 0.000 1.014 395 T CA -0.101 61.801 62.100 -0.330 0.000 0.986 395 T CB 0.884 69.717 68.868 -0.058 0.000 1.021 395 T HN 0.471 nan 8.240 nan 0.000 0.458 396 F N 2.541 122.377 119.950 -0.190 0.000 2.472 396 F HA 0.299 4.827 4.527 0.001 0.000 0.364 396 F C 1.811 177.436 175.800 -0.292 0.000 1.090 396 F CA -1.267 56.598 58.000 -0.225 0.000 1.188 396 F CB 0.460 39.326 39.000 -0.223 0.000 1.105 396 F HN 0.649 nan 8.300 nan 0.000 0.536 397 I N -0.358 120.044 120.570 -0.280 0.000 3.251 397 I HA 0.100 4.271 4.170 0.001 0.000 0.277 397 I C 0.425 176.340 176.117 -0.336 0.000 1.268 397 I CA 0.360 61.254 61.300 -0.677 0.000 1.449 397 I CB -0.371 37.053 38.000 -0.961 0.000 1.083 397 I HN 0.490 nan 8.210 nan 0.000 0.464 398 T N 0.040 114.471 114.554 -0.205 0.000 2.903 398 T HA 0.673 5.023 4.350 0.001 0.000 0.299 398 T C -0.658 173.641 174.700 -0.668 0.000 1.093 398 T CA -0.832 61.130 62.100 -0.230 0.000 1.002 398 T CB 2.641 71.468 68.868 -0.068 0.000 1.127 398 T HN 0.480 nan 8.240 nan 0.000 0.488 399 K N -0.088 119.786 120.400 -0.876 0.000 2.548 399 K HA 0.830 5.151 4.320 0.001 0.000 0.282 399 K C -0.364 175.598 176.600 -1.063 0.000 1.006 399 K CA -0.902 54.611 56.287 -1.290 0.000 0.892 399 K CB 1.526 33.641 32.500 -0.641 0.000 1.499 399 K HN 1.627 nan 8.250 nan 0.000 0.433 400 G N -0.160 108.096 108.800 -0.908 0.000 2.392 400 G HA2 -0.017 3.943 3.960 0.001 0.000 0.677 400 G HA3 -0.017 3.943 3.960 0.001 0.000 0.677 400 G C -0.299 174.075 174.900 -0.878 0.000 1.334 400 G CA -0.342 44.368 45.100 -0.651 0.000 0.961 400 G HN 0.969 nan 8.290 nan 0.000 0.616 401 T N -0.662 113.485 114.554 -0.678 0.000 3.624 401 T HA 0.475 4.826 4.350 0.001 0.000 0.231 401 T C 0.613 175.097 174.700 -0.359 0.000 0.865 401 T CA 0.759 62.287 62.100 -0.953 0.000 0.926 401 T CB -0.847 67.746 68.868 -0.457 0.000 1.189 401 T HN 1.187 nan 8.240 nan 0.000 0.640 402 W N -0.314 120.809 121.300 -0.296 0.000 3.505 402 W HA 0.797 5.458 4.660 0.001 0.000 0.338 402 W C -0.804 175.680 176.519 -0.058 0.000 1.159 402 W CA -1.142 56.155 57.345 -0.081 0.000 0.981 402 W CB 0.878 30.302 29.460 -0.060 0.000 1.575 402 W HN 0.019 nan 8.180 nan 0.000 0.608 403 E N 0.524 120.913 120.200 0.315 0.000 2.356 403 E HA 0.370 4.721 4.350 0.001 0.000 0.275 403 E C -1.479 175.247 176.600 0.209 0.000 0.904 403 E CA -0.909 55.482 56.400 -0.015 0.000 0.757 403 E CB 3.575 33.327 29.700 0.087 0.000 1.232 403 E HN 0.138 nan 8.360 nan 0.000 0.442 404 V N 4.560 124.460 119.914 -0.024 0.000 2.432 404 V HA 0.063 4.184 4.120 0.001 0.000 0.271 404 V C 1.197 177.399 176.094 0.179 0.000 1.046 404 V CA -0.127 62.287 62.300 0.189 0.000 0.945 404 V CB 0.715 32.564 31.823 0.044 0.000 0.992 404 V HN 0.679 nan 8.190 nan 0.000 0.471 405 I N 3.260 123.960 120.570 0.218 0.000 2.339 405 I HA 0.252 4.422 4.170 0.001 0.000 0.245 405 I C 1.144 177.376 176.117 0.191 0.000 1.096 405 I CA 1.147 62.552 61.300 0.176 0.000 1.408 405 I CB -0.761 37.269 38.000 0.050 0.000 1.092 405 I HN 0.734 nan 8.210 nan 0.000 0.423 406 G N 0.714 109.631 108.800 0.194 0.000 2.732 406 G HA2 0.571 4.532 3.960 0.001 0.000 0.296 406 G HA3 0.571 4.532 3.960 0.001 0.000 0.296 406 G C -1.240 173.763 174.900 0.171 0.000 1.448 406 G CA -0.529 44.682 45.100 0.186 0.000 0.911 406 G HN -0.026 nan 8.290 nan 0.000 0.528 407 I N 1.479 122.090 120.570 0.068 0.000 2.371 407 I HA 0.277 4.448 4.170 0.001 0.000 0.290 407 I C 0.694 176.775 176.117 -0.061 0.000 1.028 407 I CA -0.467 60.764 61.300 -0.115 0.000 1.345 407 I CB 1.675 39.330 38.000 -0.574 0.000 1.407 407 I HN 0.487 nan 8.210 nan 0.000 0.501 408 E N 4.827 125.058 120.200 0.051 0.000 2.434 408 E HA 0.389 4.740 4.350 0.001 0.000 0.207 408 E C 0.041 176.657 176.600 0.027 0.000 0.929 408 E CA 0.114 56.616 56.400 0.171 0.000 1.001 408 E CB 1.158 31.060 29.700 0.337 0.000 1.016 408 E HN 0.683 nan 8.360 nan 0.000 0.502 409 A N 0.756 123.486 122.820 -0.150 0.000 2.599 409 A HA 0.586 4.907 4.320 0.001 0.000 0.294 409 A C -2.070 175.463 177.584 -0.085 0.000 1.055 409 A CA -0.659 51.202 52.037 -0.295 0.000 0.683 409 A CB 1.179 19.485 19.000 -1.157 0.000 1.278 409 A HN 0.035 nan 8.150 nan 0.000 0.412 410 L N 1.804 123.020 121.223 -0.012 0.000 2.491 410 L HA 0.696 5.037 4.340 0.001 0.000 0.267 410 L C 0.383 177.292 176.870 0.065 0.000 0.971 410 L CA 0.545 55.398 54.840 0.022 0.000 0.857 410 L CB 1.701 43.799 42.059 0.066 0.000 1.226 410 L HN 1.217 nan 8.230 nan 0.000 0.408 411 T N 0.128 114.734 114.554 0.088 0.000 2.902 411 T HA 0.398 4.749 4.350 0.001 0.000 0.287 411 T C 1.148 175.894 174.700 0.077 0.000 1.048 411 T CA 0.271 62.433 62.100 0.104 0.000 0.941 411 T CB 0.786 69.750 68.868 0.161 0.000 1.432 411 T HN 0.615 nan 8.240 nan 0.000 0.586 412 S N -0.292 115.452 115.700 0.073 0.000 2.436 412 S HA 0.024 4.494 4.470 0.001 0.000 0.228 412 S C 0.871 175.454 174.600 -0.027 0.000 1.014 412 S CA 0.800 59.027 58.200 0.046 0.000 0.950 412 S CB -0.451 62.781 63.200 0.052 0.000 0.784 412 S HN 0.766 nan 8.310 nan 0.000 0.504 413 D N -0.763 119.595 120.400 -0.069 0.000 2.431 413 D HA 0.272 4.913 4.640 0.001 0.000 0.227 413 D C -0.483 175.466 176.300 -0.585 0.000 1.030 413 D CA 0.443 54.256 54.000 -0.312 0.000 0.897 413 D CB 0.227 40.834 40.800 -0.320 0.000 1.058 413 D HN 0.399 nan 8.370 nan 0.000 0.500 414 Y N 0.053 120.281 120.300 -0.120 0.000 2.499 414 Y HA 0.526 5.077 4.550 0.001 0.000 0.347 414 Y C -0.703 174.981 175.900 -0.360 0.000 0.987 414 Y CA -1.177 56.748 58.100 -0.292 0.000 1.044 414 Y CB 2.280 40.465 38.460 -0.458 0.000 1.245 414 Y HN -0.237 nan 8.280 nan 0.000 0.461 415 L N 3.109 124.162 121.223 -0.283 0.000 2.341 415 L HA 0.597 4.938 4.340 0.001 0.000 0.278 415 L C -1.871 174.832 176.870 -0.279 0.000 1.005 415 L CA -0.651 54.015 54.840 -0.290 0.000 0.818 415 L CB 0.957 42.771 42.059 -0.409 0.000 1.259 415 L HN 0.626 nan 8.230 nan 0.000 0.418 416 Y N 5.023 125.281 120.300 -0.071 0.000 2.331 416 Y HA 0.515 5.066 4.550 0.001 0.000 0.338 416 Y C -0.499 175.448 175.900 0.077 0.000 0.992 416 Y CA -0.378 57.703 58.100 -0.033 0.000 1.121 416 Y CB 1.292 39.650 38.460 -0.171 0.000 1.184 416 Y HN 0.542 nan 8.280 nan 0.000 0.469 417 Y N 1.216 121.581 120.300 0.108 0.000 2.588 417 Y HA 0.786 5.337 4.550 0.001 0.000 0.343 417 Y C -1.735 174.240 175.900 0.125 0.000 1.065 417 Y CA -1.721 56.429 58.100 0.083 0.000 1.038 417 Y CB 1.195 39.677 38.460 0.037 0.000 1.297 417 Y HN 0.276 nan 8.280 nan 0.000 0.467 418 I N 3.226 123.890 120.570 0.156 0.000 2.437 418 I HA 0.581 4.751 4.170 0.001 0.000 0.298 418 I C -0.119 176.111 176.117 0.189 0.000 0.984 418 I CA -0.292 61.043 61.300 0.058 0.000 1.214 418 I CB 1.592 39.612 38.000 0.033 0.000 1.365 418 I HN 0.893 nan 8.210 nan 0.000 0.469 419 S N 3.658 119.432 115.700 0.123 0.000 2.638 419 S HA 0.441 4.912 4.470 0.001 0.000 0.274 419 S C -0.484 174.155 174.600 0.065 0.000 1.157 419 S CA -0.852 57.451 58.200 0.171 0.000 0.826 419 S CB 1.890 65.236 63.200 0.243 0.000 1.139 419 S HN 0.593 nan 8.310 nan 0.000 0.474 420 N N -0.149 118.603 118.700 0.088 0.000 2.558 420 N HA 0.158 4.899 4.740 0.001 0.000 0.281 420 N C 0.413 175.923 175.510 0.000 0.000 1.219 420 N CA -0.411 52.653 53.050 0.024 0.000 0.942 420 N CB 0.396 38.885 38.487 0.004 0.000 1.241 420 N HN 0.829 nan 8.380 nan 0.000 0.511 421 E N -0.096 119.977 120.200 -0.211 0.000 2.112 421 E HA -0.135 4.216 4.350 0.001 0.000 0.190 421 E C -0.405 176.051 176.600 -0.240 0.000 0.979 421 E CA -0.023 56.022 56.400 -0.593 0.000 0.814 421 E CB -0.025 28.654 29.700 -1.703 0.000 0.762 421 E HN 0.507 nan 8.360 nan 0.000 0.460 422 Y N 2.207 122.419 120.300 -0.148 0.000 2.729 422 Y HA -0.112 4.439 4.550 0.001 0.000 0.331 422 Y C 0.145 176.011 175.900 -0.057 0.000 1.208 422 Y CA 0.805 58.865 58.100 -0.065 0.000 1.521 422 Y CB 0.211 38.651 38.460 -0.032 0.000 1.233 422 Y HN 0.032 nan 8.280 nan 0.000 0.539 423 K N 3.895 123.919 120.400 -0.626 0.000 3.016 423 K HA -0.227 4.093 4.320 0.001 0.000 0.262 423 K C 0.658 177.172 176.600 -0.143 0.000 1.043 423 K CA 0.666 56.704 56.287 -0.416 0.000 0.761 423 K CB -1.865 30.373 32.500 -0.437 0.000 1.230 423 K HN 1.218 nan 8.250 nan 0.000 0.485 424 G N 1.608 110.343 108.800 -0.109 0.000 2.396 424 G HA2 -0.285 3.676 3.960 0.001 0.000 0.288 424 G HA3 -0.285 3.676 3.960 0.001 0.000 0.288 424 G C 0.026 174.922 174.900 -0.007 0.000 0.926 424 G CA 1.118 46.207 45.100 -0.018 0.000 1.211 424 G HN 0.568 nan 8.290 nan 0.000 0.496 425 M N -1.562 117.958 119.600 -0.133 0.000 2.090 425 M HA 0.532 5.013 4.480 0.001 0.000 0.277 425 M C -2.398 173.626 176.300 -0.460 0.000 0.935 425 M CA -2.453 52.580 55.300 -0.445 0.000 0.966 425 M CB 2.338 34.709 32.600 -0.382 0.000 1.635 425 M HN -0.124 nan 8.290 nan 0.000 0.446 426 P HA 0.013 nan 4.420 nan 0.000 0.225 426 P C 1.297 178.469 177.300 -0.213 0.000 1.148 426 P CA 1.317 64.248 63.100 -0.280 0.000 0.779 426 P CB 0.135 31.683 31.700 -0.252 0.000 0.780 427 G N -0.982 107.633 108.800 -0.308 0.000 3.141 427 G HA2 0.262 4.223 3.960 0.001 0.000 0.218 427 G HA3 0.262 4.223 3.960 0.001 0.000 0.218 427 G C 0.660 175.597 174.900 0.061 0.000 1.170 427 G CA 0.052 45.098 45.100 -0.090 0.000 0.769 427 G HN 0.379 nan 8.290 nan 0.000 0.546 428 G N -0.202 108.584 108.800 -0.025 0.000 2.461 428 G HA2 0.633 4.594 3.960 0.001 0.000 0.329 428 G HA3 0.633 4.594 3.960 0.001 0.000 0.329 428 G C -0.812 174.013 174.900 -0.124 0.000 1.170 428 G CA -0.723 44.395 45.100 0.031 0.000 0.935 428 G HN 0.071 nan 8.290 nan 0.000 0.492 429 R N 0.347 120.715 120.500 -0.220 0.000 2.538 429 R HA 0.376 4.717 4.340 0.001 0.000 0.292 429 R C -1.205 175.024 176.300 -0.117 0.000 1.008 429 R CA -0.814 55.095 56.100 -0.318 0.000 0.896 429 R CB 1.808 31.638 30.300 -0.784 0.000 1.187 429 R HN 0.709 nan 8.270 nan 0.000 0.440 430 N N 0.573 119.220 118.700 -0.089 0.000 2.357 430 N HA 0.446 5.186 4.740 0.001 0.000 0.284 430 N C -1.392 173.954 175.510 -0.274 0.000 1.236 430 N CA -0.834 52.082 53.050 -0.223 0.000 0.774 430 N CB 2.054 40.278 38.487 -0.438 0.000 1.534 430 N HN 0.219 nan 8.380 nan 0.000 0.478 431 L N 2.118 123.063 121.223 -0.464 0.000 2.276 431 L HA 0.478 4.818 4.340 0.001 0.000 0.286 431 L C -1.590 174.928 176.870 -0.587 0.000 1.061 431 L CA -0.049 54.545 54.840 -0.411 0.000 0.807 431 L CB -0.166 41.643 42.059 -0.417 0.000 1.177 431 L HN 0.509 nan 8.230 nan 0.000 0.429 432 Y N 3.555 123.515 120.300 -0.568 0.000 2.524 432 Y HA 0.539 5.089 4.550 0.001 0.000 0.344 432 Y C -0.320 175.329 175.900 -0.419 0.000 1.012 432 Y CA -0.839 56.933 58.100 -0.547 0.000 1.068 432 Y CB 1.683 39.679 38.460 -0.773 0.000 1.249 432 Y HN 0.520 nan 8.280 nan 0.000 0.468 433 K N 2.732 123.052 120.400 -0.134 0.000 2.270 433 K HA 0.721 5.041 4.320 0.001 0.000 0.255 433 K C -1.651 174.951 176.600 0.002 0.000 0.936 433 K CA -0.656 55.496 56.287 -0.224 0.000 0.809 433 K CB 2.421 34.601 32.500 -0.534 0.000 1.131 433 K HN 0.756 nan 8.250 nan 0.000 0.427 434 I N 2.053 122.664 120.570 0.068 0.000 2.441 434 I HA 0.131 4.302 4.170 0.001 0.000 0.295 434 I C -0.680 175.495 176.117 0.097 0.000 0.994 434 I CA -0.821 60.564 61.300 0.141 0.000 1.144 434 I CB 1.932 40.028 38.000 0.160 0.000 1.314 434 I HN 0.813 nan 8.210 nan 0.000 0.445 435 Q N 5.825 125.680 119.800 0.091 0.000 2.344 435 Q HA 0.114 4.454 4.340 0.001 0.000 0.253 435 Q C 0.407 176.355 176.000 -0.086 0.000 1.050 435 Q CA -0.568 55.158 55.803 -0.129 0.000 0.912 435 Q CB 1.041 29.716 28.738 -0.105 0.000 1.258 435 Q HN 0.758 nan 8.270 nan 0.000 0.443 436 L N 3.111 124.227 121.223 -0.177 0.000 2.270 436 L HA -0.247 4.094 4.340 0.001 0.000 0.217 436 L C 2.115 178.910 176.870 -0.124 0.000 1.107 436 L CA 2.096 56.899 54.840 -0.061 0.000 0.772 436 L CB -0.660 41.322 42.059 -0.129 0.000 0.902 436 L HN 0.718 nan 8.230 nan 0.000 0.439 437 S N -3.595 111.978 115.700 -0.211 0.000 2.511 437 S HA 0.104 4.574 4.470 0.001 0.000 0.214 437 S C 0.566 174.987 174.600 -0.299 0.000 0.997 437 S CA -0.221 57.829 58.200 -0.250 0.000 0.908 437 S CB 0.336 63.422 63.200 -0.190 0.000 0.803 437 S HN 0.344 nan 8.310 nan 0.000 0.504 438 D N -0.033 120.222 120.400 -0.242 0.000 2.375 438 D HA 0.260 4.901 4.640 0.001 0.000 0.241 438 D C -0.551 175.732 176.300 -0.029 0.000 1.361 438 D CA -0.483 53.397 54.000 -0.200 0.000 0.995 438 D CB 0.745 41.481 40.800 -0.107 0.000 1.312 438 D HN -0.025 nan 8.370 nan 0.000 0.576 439 Y N 1.054 121.325 120.300 -0.047 0.000 2.421 439 Y HA -0.110 4.440 4.550 0.001 0.000 0.292 439 Y C 2.613 178.512 175.900 -0.002 0.000 1.136 439 Y CA 1.362 59.445 58.100 -0.029 0.000 1.255 439 Y CB -0.859 37.580 38.460 -0.034 0.000 0.991 439 Y HN 0.437 nan 8.280 nan 0.000 0.552 440 T N -2.235 112.398 114.554 0.132 0.000 2.995 440 T HA -0.074 4.277 4.350 0.001 0.000 0.269 440 T C 0.762 175.511 174.700 0.083 0.000 1.091 440 T CA 0.420 62.572 62.100 0.087 0.000 1.128 440 T CB -0.211 68.683 68.868 0.045 0.000 0.891 440 T HN 0.080 nan 8.240 nan 0.000 0.492 441 K N 1.892 122.341 120.400 0.081 0.000 2.250 441 K HA 0.494 4.814 4.320 0.001 0.000 0.285 441 K C -1.387 175.282 176.600 0.116 0.000 1.097 441 K CA -0.268 56.067 56.287 0.081 0.000 0.913 441 K CB 1.223 33.760 32.500 0.061 0.000 1.179 441 K HN 0.115 nan 8.250 nan 0.000 0.462 442 V N 2.839 122.821 119.914 0.113 0.000 2.524 442 V HA 0.172 4.293 4.120 0.001 0.000 0.297 442 V C -0.393 175.770 176.094 0.114 0.000 1.035 442 V CA -0.827 61.556 62.300 0.139 0.000 0.867 442 V CB 2.099 34.019 31.823 0.162 0.000 1.004 442 V HN 0.654 nan 8.190 nan 0.000 0.426 443 T N 3.028 117.628 114.554 0.077 0.000 2.824 443 T HA 0.273 4.624 4.350 0.001 0.000 0.280 443 T C -0.241 174.426 174.700 -0.056 0.000 0.995 443 T CA -0.293 61.807 62.100 0.001 0.000 1.009 443 T CB 1.450 70.285 68.868 -0.056 0.000 0.955 443 T HN 0.727 nan 8.240 nan 0.000 0.452 444 C N 5.109 124.304 119.300 -0.174 0.000 2.349 444 C HA 0.382 4.843 4.460 0.001 0.000 0.348 444 C C 1.786 176.471 174.990 -0.510 0.000 1.223 444 C CA -0.606 58.061 59.018 -0.584 0.000 1.746 444 C CB -2.032 25.252 27.740 -0.760 0.000 2.360 444 C HN 0.980 nan 8.230 nan 0.000 0.533 445 L N 4.361 125.254 121.223 -0.548 0.000 2.313 445 L HA 0.017 4.357 4.340 0.001 0.000 0.214 445 L C 2.290 178.840 176.870 -0.533 0.000 1.119 445 L CA 1.436 56.018 54.840 -0.430 0.000 0.809 445 L CB -0.198 41.636 42.059 -0.375 0.000 0.933 445 L HN 0.901 nan 8.230 nan 0.000 0.449 446 S N -3.160 112.102 115.700 -0.730 0.000 2.554 446 S HA -0.027 4.444 4.470 0.001 0.000 0.227 446 S C 1.943 176.090 174.600 -0.755 0.000 1.050 446 S CA -0.047 57.596 58.200 -0.929 0.000 0.927 446 S CB -0.323 61.983 63.200 -1.489 0.000 0.859 446 S HN 0.295 nan 8.310 nan 0.000 0.494 447 C N 2.277 121.125 119.300 -0.754 0.000 2.349 447 C HA -0.072 4.388 4.460 0.001 0.000 0.274 447 C C 2.534 177.196 174.990 -0.547 0.000 1.178 447 C CA 1.692 60.204 59.018 -0.844 0.000 1.769 447 C CB -1.270 25.809 27.740 -1.101 0.000 2.047 447 C HN 0.631 nan 8.230 nan 0.000 0.448 448 E N 0.075 120.050 120.200 -0.375 0.000 2.489 448 E HA 0.130 4.481 4.350 0.001 0.000 0.193 448 E C 1.822 178.344 176.600 -0.129 0.000 1.057 448 E CA -0.069 56.214 56.400 -0.195 0.000 0.866 448 E CB -0.206 29.415 29.700 -0.132 0.000 0.916 448 E HN 0.561 nan 8.360 nan 0.000 0.500 449 L N 0.115 121.246 121.223 -0.153 0.000 1.932 449 L HA -0.150 4.190 4.340 0.001 0.000 0.217 449 L C 0.368 177.232 176.870 -0.011 0.000 1.077 449 L CA 1.028 55.825 54.840 -0.072 0.000 0.765 449 L CB -0.087 41.929 42.059 -0.071 0.000 0.888 449 L HN 0.089 nan 8.230 nan 0.000 0.433 450 N N -0.952 117.767 118.700 0.030 0.000 2.790 450 N HA 0.162 4.903 4.740 0.001 0.000 0.256 450 N C -1.944 173.580 175.510 0.022 0.000 1.409 450 N CA -1.214 51.849 53.050 0.023 0.000 0.799 450 N CB 1.012 39.513 38.487 0.023 0.000 1.170 450 N HN 0.003 nan 8.380 nan 0.000 0.507 451 P HA -0.160 nan 4.420 nan 0.000 0.216 451 P C 0.967 178.295 177.300 0.047 0.000 1.150 451 P CA 1.211 64.330 63.100 0.031 0.000 0.837 451 P CB 0.897 32.625 31.700 0.047 0.000 0.786 452 E N -0.556 119.661 120.200 0.027 0.000 2.122 452 E HA -0.127 4.223 4.350 0.001 0.000 0.190 452 E C 2.312 178.912 176.600 -0.000 0.000 0.977 452 E CA 0.469 56.881 56.400 0.020 0.000 0.820 452 E CB -0.043 29.664 29.700 0.011 0.000 0.770 452 E HN 0.005 nan 8.360 nan 0.000 0.462 453 R N -0.883 119.605 120.500 -0.019 0.000 2.140 453 R HA 0.129 4.470 4.340 0.001 0.000 0.213 453 R C -0.363 175.891 176.300 -0.077 0.000 1.059 453 R CA 0.713 56.781 56.100 -0.054 0.000 1.000 453 R CB 0.202 30.464 30.300 -0.063 0.000 0.910 453 R HN 0.036 nan 8.270 nan 0.000 0.455 454 c N 1.113 119.677 118.600 -0.060 0.000 2.344 454 c HA 0.451 5.022 4.570 0.001 0.000 0.326 454 c C -0.574 173.486 174.090 -0.051 0.000 1.201 454 c CA -0.586 55.656 56.329 -0.145 0.000 1.410 454 c CB 1.294 43.706 42.510 -0.165 0.000 2.070 454 c HN 0.610 nan 8.230 nan 0.000 0.445 455 Q N 0.964 120.724 119.800 -0.068 0.000 2.023 455 Q HA 0.226 4.566 4.340 0.001 0.000 0.211 455 Q C -1.097 174.951 176.000 0.079 0.000 0.787 455 Q CA -0.002 55.831 55.803 0.050 0.000 1.035 455 Q CB 1.187 29.982 28.738 0.095 0.000 1.221 455 Q HN 0.796 nan 8.270 nan 0.000 0.443 456 Y N 0.219 120.395 120.300 -0.206 0.000 2.325 456 Y HA 0.348 4.899 4.550 0.001 0.000 0.336 456 Y C -1.760 173.976 175.900 -0.273 0.000 1.130 456 Y CA -0.907 57.097 58.100 -0.160 0.000 1.264 456 Y CB 0.693 39.075 38.460 -0.130 0.000 1.128 456 Y HN -0.025 nan 8.280 nan 0.000 0.469 457 Y N 2.275 122.437 120.300 -0.231 0.000 2.496 457 Y HA 0.707 5.258 4.550 0.001 0.000 0.331 457 Y C 0.284 176.065 175.900 -0.199 0.000 1.140 457 Y CA -0.279 57.708 58.100 -0.189 0.000 1.166 457 Y CB 2.197 40.523 38.460 -0.224 0.000 1.249 457 Y HN 0.495 nan 8.280 nan 0.000 0.479 458 S N 0.555 116.284 115.700 0.048 0.000 2.579 458 S HA 0.775 5.245 4.470 0.001 0.000 0.272 458 S C -1.914 172.695 174.600 0.015 0.000 1.141 458 S CA -0.828 57.383 58.200 0.018 0.000 0.843 458 S CB 1.618 64.843 63.200 0.041 0.000 1.122 458 S HN 0.623 nan 8.310 nan 0.000 0.468 459 V N 0.944 120.859 119.914 0.002 0.000 2.709 459 V HA 0.826 4.946 4.120 0.001 0.000 0.308 459 V C -0.923 175.164 176.094 -0.011 0.000 1.062 459 V CA -0.236 62.013 62.300 -0.086 0.000 0.901 459 V CB 2.109 33.752 31.823 -0.300 0.000 1.003 459 V HN 1.111 nan 8.190 nan 0.000 0.425 460 S N 6.105 121.806 115.700 0.002 0.000 2.640 460 S HA 0.691 5.161 4.470 0.001 0.000 0.320 460 S C -1.002 173.665 174.600 0.111 0.000 1.097 460 S CA -0.377 57.938 58.200 0.191 0.000 1.092 460 S CB 0.342 63.740 63.200 0.330 0.000 0.988 460 S HN 0.526 nan 8.310 nan 0.000 0.470 461 F N 2.920 122.895 119.950 0.042 0.000 2.379 461 F HA 0.406 4.933 4.527 0.001 0.000 0.332 461 F C 1.397 176.733 175.800 -0.774 0.000 1.096 461 F CA -0.411 57.438 58.000 -0.252 0.000 1.105 461 F CB 1.335 40.211 39.000 -0.205 0.000 1.189 461 F HN 0.605 nan 8.300 nan 0.000 0.515 462 S N 1.402 116.493 115.700 -1.014 0.000 2.598 462 S HA 0.057 4.527 4.470 0.001 0.000 0.256 462 S C 1.267 175.692 174.600 -0.292 0.000 1.350 462 S CA -0.616 56.909 58.200 -1.125 0.000 0.984 462 S CB 0.600 63.308 63.200 -0.820 0.000 0.930 462 S HN 0.730 nan 8.310 nan 0.000 0.577 463 K N 0.392 120.740 120.400 -0.088 0.000 2.127 463 K HA -0.150 4.171 4.320 0.001 0.000 0.208 463 K C 1.379 177.997 176.600 0.030 0.000 1.047 463 K CA 2.128 58.434 56.287 0.032 0.000 0.927 463 K CB -0.120 32.419 32.500 0.065 0.000 0.716 463 K HN 0.800 nan 8.250 nan 0.000 0.450 464 E N -2.195 118.015 120.200 0.015 0.000 3.105 464 E HA 0.289 4.640 4.350 0.001 0.000 0.198 464 E C -0.854 175.745 176.600 -0.003 0.000 0.976 464 E CA 0.401 56.818 56.400 0.029 0.000 1.219 464 E CB 0.638 30.379 29.700 0.068 0.000 1.081 464 E HN 0.297 nan 8.360 nan 0.000 0.464 465 A N 0.944 123.737 122.820 -0.045 0.000 2.816 465 A HA -0.323 3.998 4.320 0.001 0.000 0.270 465 A C 1.376 178.957 177.584 -0.004 0.000 1.413 465 A CA 1.644 53.650 52.037 -0.051 0.000 0.866 465 A CB -1.860 16.960 19.000 -0.300 0.000 1.032 465 A HN 0.409 nan 8.150 nan 0.000 0.642 466 K N -1.804 118.577 120.400 -0.032 0.000 2.167 466 K HA 0.071 4.391 4.320 0.001 0.000 0.203 466 K C 0.034 176.383 176.600 -0.419 0.000 1.052 466 K CA 1.350 57.525 56.287 -0.187 0.000 0.956 466 K CB 0.010 32.407 32.500 -0.171 0.000 0.735 466 K HN 0.666 nan 8.250 nan 0.000 0.451 467 Y N -0.649 119.599 120.300 -0.087 0.000 2.536 467 Y HA 0.317 4.867 4.550 0.001 0.000 0.347 467 Y C -0.845 174.954 175.900 -0.168 0.000 1.000 467 Y CA -1.373 56.651 58.100 -0.126 0.000 1.051 467 Y CB 1.569 39.993 38.460 -0.059 0.000 1.259 467 Y HN -0.040 nan 8.280 nan 0.000 0.468 468 Y N -1.028 119.259 120.300 -0.021 0.000 2.534 468 Y HA 0.540 5.091 4.550 0.001 0.000 0.345 468 Y C -1.036 174.900 175.900 0.060 0.000 1.031 468 Y CA -1.519 56.439 58.100 -0.237 0.000 1.022 468 Y CB 1.463 39.356 38.460 -0.945 0.000 1.292 468 Y HN 0.589 nan 8.280 nan 0.000 0.459 469 Q N 3.617 123.565 119.800 0.246 0.000 2.257 469 Q HA 0.507 4.847 4.340 0.001 0.000 0.255 469 Q C -1.618 174.464 176.000 0.137 0.000 0.920 469 Q CA -0.633 55.268 55.803 0.164 0.000 0.927 469 Q CB 1.265 30.064 28.738 0.101 0.000 1.229 469 Q HN 0.972 nan 8.270 nan 0.000 0.433 470 L N 3.463 124.786 121.223 0.166 0.000 2.343 470 L HA 0.529 4.869 4.340 0.001 0.000 0.275 470 L C 0.115 177.010 176.870 0.041 0.000 1.056 470 L CA -0.591 54.322 54.840 0.122 0.000 0.804 470 L CB 1.380 43.519 42.059 0.133 0.000 1.203 470 L HN 0.496 nan 8.230 nan 0.000 0.440 471 R N 2.648 123.140 120.500 -0.014 0.000 2.467 471 R HA 0.260 4.600 4.340 0.001 0.000 0.299 471 R C -1.376 174.724 176.300 -0.334 0.000 1.120 471 R CA -0.397 55.511 56.100 -0.321 0.000 0.940 471 R CB 1.270 31.431 30.300 -0.231 0.000 1.161 471 R HN 0.732 nan 8.270 nan 0.000 0.506 472 c N 2.515 120.801 118.600 -0.522 0.000 2.388 472 c HA 0.481 5.051 4.570 0.001 0.000 0.362 472 c C 1.007 174.851 174.090 -0.411 0.000 1.266 472 c CA -0.110 55.797 56.329 -0.703 0.000 2.028 472 c CB 0.825 42.838 42.510 -0.830 0.000 2.440 472 c HN 0.869 nan 8.230 nan 0.000 0.547 473 S N 2.644 118.202 115.700 -0.237 0.000 2.603 473 S HA 0.535 5.006 4.470 0.001 0.000 0.232 473 S C 0.406 174.980 174.600 -0.043 0.000 1.016 473 S CA 0.410 58.556 58.200 -0.090 0.000 0.976 473 S CB 0.472 63.668 63.200 -0.007 0.000 0.921 473 S HN 1.422 nan 8.310 nan 0.000 0.516 474 G N 1.672 110.426 108.800 -0.076 0.000 2.321 474 G HA2 0.291 4.252 3.960 0.001 0.000 0.298 474 G HA3 0.291 4.252 3.960 0.001 0.000 0.298 474 G C -3.013 171.866 174.900 -0.036 0.000 1.385 474 G CA -0.630 44.462 45.100 -0.013 0.000 0.856 474 G HN -0.188 nan 8.290 nan 0.000 0.584 475 P HA 0.131 nan 4.420 nan 0.000 0.227 475 P C 1.421 178.743 177.300 0.037 0.000 1.161 475 P CA 1.368 64.498 63.100 0.050 0.000 0.788 475 P CB 0.267 31.992 31.700 0.041 0.000 0.822 476 G N 0.611 109.364 108.800 -0.078 0.000 2.525 476 G HA2 0.306 4.266 3.960 0.001 0.000 0.276 476 G HA3 0.306 4.266 3.960 0.001 0.000 0.276 476 G C -0.186 174.481 174.900 -0.388 0.000 1.388 476 G CA -0.619 44.353 45.100 -0.214 0.000 1.050 476 G HN 0.066 nan 8.290 nan 0.000 0.520 477 L N 1.064 122.004 121.223 -0.471 0.000 2.426 477 L HA 0.196 4.536 4.340 0.001 0.000 0.271 477 L C -1.871 174.870 176.870 -0.214 0.000 1.169 477 L CA -1.437 53.099 54.840 -0.506 0.000 0.836 477 L CB 0.855 42.686 42.059 -0.380 0.000 1.112 477 L HN 0.237 nan 8.230 nan 0.000 0.465 478 P HA -0.012 nan 4.420 nan 0.000 0.261 478 P C -0.906 176.410 177.300 0.026 0.000 1.173 478 P CA 0.107 63.205 63.100 -0.003 0.000 0.760 478 P CB 0.465 32.292 31.700 0.211 0.000 0.783 479 L N 5.643 126.786 121.223 -0.134 0.000 2.381 479 L HA 0.470 4.810 4.340 0.001 0.000 0.274 479 L C -1.613 175.145 176.870 -0.186 0.000 0.988 479 L CA -0.631 54.173 54.840 -0.059 0.000 0.824 479 L CB 0.952 42.960 42.059 -0.085 0.000 1.263 479 L HN 0.259 nan 8.230 nan 0.000 0.410 480 Y N 3.370 123.629 120.300 -0.070 0.000 2.345 480 Y HA 0.625 5.175 4.550 0.001 0.000 0.331 480 Y C 0.362 176.160 175.900 -0.171 0.000 0.959 480 Y CA -0.563 57.476 58.100 -0.102 0.000 1.204 480 Y CB 1.824 40.209 38.460 -0.126 0.000 1.135 480 Y HN 0.671 nan 8.280 nan 0.000 0.477 481 T N 1.541 116.088 114.554 -0.012 0.000 2.916 481 T HA 0.676 5.027 4.350 0.001 0.000 0.292 481 T C -1.224 173.405 174.700 -0.119 0.000 1.055 481 T CA -0.947 61.099 62.100 -0.091 0.000 1.009 481 T CB 1.953 70.814 68.868 -0.011 0.000 1.118 481 T HN 0.507 nan 8.240 nan 0.000 0.497 482 L N 1.996 123.022 121.223 -0.329 0.000 2.346 482 L HA 0.560 4.901 4.340 0.001 0.000 0.276 482 L C -0.840 175.695 176.870 -0.558 0.000 1.006 482 L CA -0.778 53.907 54.840 -0.258 0.000 0.817 482 L CB 1.407 43.368 42.059 -0.162 0.000 1.272 482 L HN 0.848 nan 8.230 nan 0.000 0.421 483 H N 1.714 120.570 119.070 -0.355 0.000 2.851 483 H HA 0.272 4.828 4.556 0.001 0.000 0.372 483 H C -0.622 174.447 175.328 -0.432 0.000 1.158 483 H CA -0.706 55.007 56.048 -0.559 0.000 1.159 483 H CB 2.376 31.414 29.762 -1.207 0.000 1.757 483 H HN 0.543 nan 8.280 nan 0.000 0.546 484 S N 0.615 116.221 115.700 -0.157 0.000 2.499 484 S HA 0.109 4.580 4.470 0.001 0.000 0.279 484 S C 1.111 175.606 174.600 -0.175 0.000 1.219 484 S CA -0.294 57.756 58.200 -0.250 0.000 1.062 484 S CB 1.372 64.431 63.200 -0.235 0.000 0.978 484 S HN 0.697 nan 8.310 nan 0.000 0.489 485 S N 2.656 118.294 115.700 -0.104 0.000 2.528 485 S HA -0.007 4.464 4.470 0.001 0.000 0.219 485 S C 1.505 176.120 174.600 0.024 0.000 0.985 485 S CA 0.332 58.613 58.200 0.135 0.000 0.914 485 S CB -0.656 62.682 63.200 0.229 0.000 0.776 485 S HN 0.600 nan 8.310 nan 0.000 0.526 486 V N 3.371 123.242 119.914 -0.072 0.000 2.392 486 V HA -0.162 3.958 4.120 0.001 0.000 0.249 486 V C 1.693 177.766 176.094 -0.036 0.000 1.059 486 V CA 1.899 64.167 62.300 -0.053 0.000 1.051 486 V CB -1.041 30.729 31.823 -0.089 0.000 0.658 486 V HN 0.894 nan 8.190 nan 0.000 0.455 487 N N -2.883 115.793 118.700 -0.039 0.000 2.142 487 N HA 0.024 4.765 4.740 0.001 0.000 0.233 487 N C -0.104 175.394 175.510 -0.021 0.000 1.335 487 N CA 0.144 53.176 53.050 -0.031 0.000 0.837 487 N CB -0.285 38.185 38.487 -0.029 0.000 1.238 487 N HN 0.309 nan 8.380 nan 0.000 0.501 488 D N 1.025 121.427 120.400 0.003 0.000 2.733 488 D HA -0.209 4.432 4.640 0.001 0.000 0.232 488 D C -0.375 175.946 176.300 0.036 0.000 1.161 488 D CA 1.108 55.138 54.000 0.050 0.000 0.653 488 D CB -0.788 40.034 40.800 0.038 0.000 1.052 488 D HN 0.758 nan 8.370 nan 0.000 0.424 489 K N -0.658 119.747 120.400 0.008 0.000 2.118 489 K HA 0.552 4.873 4.320 0.001 0.000 0.264 489 K C 0.685 177.283 176.600 -0.003 0.000 1.000 489 K CA -0.635 55.652 56.287 0.001 0.000 0.929 489 K CB 1.257 33.742 32.500 -0.026 0.000 1.021 489 K HN -0.058 nan 8.250 nan 0.000 0.463 490 G N 2.291 111.072 108.800 -0.032 0.000 2.378 490 G HA2 0.230 4.190 3.960 0.001 0.000 0.255 490 G HA3 0.230 4.190 3.960 0.001 0.000 0.255 490 G C 0.087 174.866 174.900 -0.203 0.000 1.270 490 G CA -0.692 44.292 45.100 -0.193 0.000 0.876 490 G HN 0.639 nan 8.290 nan 0.000 0.521 491 L N 1.760 122.804 121.223 -0.298 0.000 2.327 491 L HA 0.420 4.760 4.340 0.001 0.000 0.192 491 L C 1.538 178.313 176.870 -0.157 0.000 1.158 491 L CA 0.434 55.172 54.840 -0.170 0.000 0.813 491 L CB 0.049 42.042 42.059 -0.111 0.000 1.021 491 L HN 0.686 nan 8.230 nan 0.000 0.481 492 R N -1.040 119.340 120.500 -0.200 0.000 2.740 492 R HA 0.493 4.833 4.340 0.001 0.000 0.273 492 R C -1.442 174.737 176.300 -0.201 0.000 0.998 492 R CA -0.817 55.187 56.100 -0.160 0.000 0.900 492 R CB 1.576 31.812 30.300 -0.106 0.000 1.223 492 R HN -0.207 nan 8.270 nan 0.000 0.466 493 V N 4.030 123.853 119.914 -0.152 0.000 2.439 493 V HA 0.062 4.182 4.120 0.001 0.000 0.271 493 V C 1.420 177.390 176.094 -0.206 0.000 1.040 493 V CA -0.097 62.114 62.300 -0.147 0.000 1.002 493 V CB 0.596 32.368 31.823 -0.086 0.000 1.000 493 V HN 0.687 nan 8.190 nan 0.000 0.477 494 L N 2.768 123.787 121.223 -0.338 0.000 2.102 494 L HA 0.227 4.568 4.340 0.001 0.000 0.202 494 L C 0.911 177.522 176.870 -0.432 0.000 1.076 494 L CA 0.881 55.320 54.840 -0.669 0.000 0.761 494 L CB 0.081 41.300 42.059 -1.399 0.000 0.921 494 L HN 0.639 nan 8.230 nan 0.000 0.444 495 E N -0.132 119.944 120.200 -0.207 0.000 2.290 495 E HA 0.138 4.489 4.350 0.001 0.000 0.274 495 E C -1.178 175.460 176.600 0.064 0.000 0.889 495 E CA -0.478 55.909 56.400 -0.022 0.000 0.760 495 E CB 1.427 31.108 29.700 -0.031 0.000 1.206 495 E HN 0.203 nan 8.360 nan 0.000 0.419 496 D N 2.637 123.060 120.400 0.039 0.000 2.469 496 D HA 0.148 4.788 4.640 0.001 0.000 0.213 496 D C -0.301 176.016 176.300 0.029 0.000 1.135 496 D CA -0.292 53.728 54.000 0.033 0.000 0.834 496 D CB -0.017 40.783 40.800 0.000 0.000 1.009 496 D HN 0.432 nan 8.370 nan 0.000 0.507 497 N N 0.432 119.159 118.700 0.045 0.000 2.721 497 N HA -0.218 4.523 4.740 0.001 0.000 0.249 497 N C 0.885 176.406 175.510 0.018 0.000 1.072 497 N CA 0.938 54.010 53.050 0.037 0.000 0.710 497 N CB -1.181 37.328 38.487 0.037 0.000 0.993 497 N HN 0.501 nan 8.380 nan 0.000 0.547 498 S N -1.220 114.491 115.700 0.018 0.000 2.402 498 S HA -0.015 4.455 4.470 0.001 0.000 0.229 498 S C 2.114 176.731 174.600 0.028 0.000 1.021 498 S CA 0.870 59.078 58.200 0.013 0.000 0.974 498 S CB -0.106 63.101 63.200 0.010 0.000 0.800 498 S HN 0.512 nan 8.310 nan 0.000 0.484 499 A N 2.204 125.048 122.820 0.041 0.000 1.883 499 A HA 0.002 4.323 4.320 0.001 0.000 0.217 499 A C 2.226 179.858 177.584 0.079 0.000 1.186 499 A CA 1.709 53.779 52.037 0.056 0.000 0.624 499 A CB -0.939 18.095 19.000 0.057 0.000 0.822 499 A HN 0.512 nan 8.150 nan 0.000 0.444 500 L N 0.381 121.655 121.223 0.085 0.000 2.093 500 L HA -0.135 4.205 4.340 0.001 0.000 0.208 500 L C 1.878 178.795 176.870 0.080 0.000 1.085 500 L CA 2.788 57.701 54.840 0.121 0.000 0.755 500 L CB -0.820 41.311 42.059 0.120 0.000 0.904 500 L HN 0.513 nan 8.230 nan 0.000 0.435 501 D N -0.660 119.756 120.400 0.026 0.000 2.149 501 D HA -0.278 4.363 4.640 0.001 0.000 0.198 501 D C 2.261 178.574 176.300 0.022 0.000 0.990 501 D CA 1.579 55.576 54.000 -0.006 0.000 0.839 501 D CB -0.046 40.737 40.800 -0.027 0.000 0.948 501 D HN 0.404 nan 8.370 nan 0.000 0.460 502 K N -0.521 119.906 120.400 0.045 0.000 2.025 502 K HA -0.100 4.220 4.320 0.001 0.000 0.207 502 K C 2.198 178.850 176.600 0.086 0.000 1.049 502 K CA 0.981 57.300 56.287 0.054 0.000 0.933 502 K CB -0.109 32.422 32.500 0.052 0.000 0.714 502 K HN 0.174 nan 8.250 nan 0.000 0.438 503 M N 0.382 120.062 119.600 0.133 0.000 2.202 503 M HA -0.156 4.324 4.480 0.001 0.000 0.262 503 M C 1.449 177.866 176.300 0.195 0.000 1.063 503 M CA 0.973 56.409 55.300 0.227 0.000 1.097 503 M CB -0.013 32.815 32.600 0.381 0.000 1.382 503 M HN 0.151 nan 8.290 nan 0.000 0.413 504 L N -0.114 121.156 121.223 0.078 0.000 2.554 504 L HA -0.031 4.310 4.340 0.001 0.000 0.226 504 L C 2.113 178.988 176.870 0.008 0.000 1.137 504 L CA 1.256 56.080 54.840 -0.027 0.000 0.863 504 L CB -0.996 41.021 42.059 -0.070 0.000 0.985 504 L HN 0.325 nan 8.230 nan 0.000 0.451 505 Q N 0.652 120.477 119.800 0.041 0.000 2.014 505 Q HA -0.216 4.125 4.340 0.001 0.000 0.207 505 Q C 0.931 176.967 176.000 0.059 0.000 0.993 505 Q CA 1.956 57.783 55.803 0.041 0.000 0.850 505 Q CB -0.145 28.621 28.738 0.046 0.000 0.916 505 Q HN 0.613 nan 8.270 nan 0.000 0.417 506 N N -0.519 118.231 118.700 0.084 0.000 2.378 506 N HA 0.074 4.814 4.740 0.001 0.000 0.243 506 N C -1.055 174.519 175.510 0.107 0.000 1.137 506 N CA 0.002 53.116 53.050 0.107 0.000 0.862 506 N CB 0.369 38.930 38.487 0.123 0.000 1.116 506 N HN -0.110 nan 8.380 nan 0.000 0.499 507 V N 0.736 120.695 119.914 0.075 0.000 2.435 507 V HA 0.215 4.335 4.120 0.001 0.000 0.290 507 V C 0.372 176.498 176.094 0.052 0.000 1.030 507 V CA -0.774 61.563 62.300 0.063 0.000 0.881 507 V CB 1.637 33.442 31.823 -0.029 0.000 0.983 507 V HN 0.243 nan 8.190 nan 0.000 0.445 508 Q N 4.523 124.374 119.800 0.085 0.000 2.815 508 Q HA 0.239 4.579 4.340 0.001 0.000 0.235 508 Q C -0.194 175.824 176.000 0.030 0.000 1.354 508 Q CA -0.208 55.635 55.803 0.066 0.000 0.953 508 Q CB 0.158 28.976 28.738 0.133 0.000 1.613 508 Q HN 0.555 nan 8.270 nan 0.000 0.572 509 M N 2.798 122.389 119.600 -0.015 0.000 2.240 509 M HA 0.266 4.747 4.480 0.001 0.000 0.333 509 M C -1.996 174.272 176.300 -0.053 0.000 1.110 509 M CA -2.475 52.800 55.300 -0.040 0.000 1.173 509 M CB -0.339 32.231 32.600 -0.048 0.000 1.458 509 M HN 0.232 nan 8.290 nan 0.000 0.458 510 P HA 0.233 nan 4.420 nan 0.000 0.276 510 P C -0.831 176.418 177.300 -0.085 0.000 1.244 510 P CA -0.429 62.619 63.100 -0.087 0.000 0.801 510 P CB 0.471 32.106 31.700 -0.107 0.000 1.006 511 S N 0.277 115.913 115.700 -0.106 0.000 2.690 511 S HA 0.513 4.984 4.470 0.001 0.000 0.291 511 S C -0.259 174.270 174.600 -0.119 0.000 1.138 511 S CA -0.797 57.347 58.200 -0.093 0.000 1.013 511 S CB 1.494 64.632 63.200 -0.103 0.000 1.053 511 S HN 0.460 nan 8.310 nan 0.000 0.539 512 K N 0.350 120.701 120.400 -0.081 0.000 2.164 512 K HA 0.400 4.720 4.320 0.001 0.000 0.258 512 K C -1.076 175.474 176.600 -0.083 0.000 0.951 512 K CA -0.623 55.615 56.287 -0.081 0.000 0.844 512 K CB 1.170 33.647 32.500 -0.039 0.000 1.099 512 K HN 0.734 nan 8.250 nan 0.000 0.435 513 K N 5.138 125.484 120.400 -0.090 0.000 2.358 513 K HA 0.296 4.617 4.320 0.001 0.000 0.260 513 K C -1.411 175.169 176.600 -0.034 0.000 0.956 513 K CA -0.646 55.601 56.287 -0.067 0.000 0.834 513 K CB 1.004 33.445 32.500 -0.098 0.000 1.102 513 K HN 0.504 nan 8.250 nan 0.000 0.431 514 L N 4.790 126.005 121.223 -0.013 0.000 2.294 514 L HA 0.456 4.797 4.340 0.001 0.000 0.283 514 L C -1.214 175.667 176.870 0.018 0.000 1.015 514 L CA -0.106 54.752 54.840 0.031 0.000 0.831 514 L CB 1.121 43.252 42.059 0.119 0.000 1.217 514 L HN 0.880 nan 8.230 nan 0.000 0.420 515 D N 3.087 123.302 120.400 -0.307 0.000 2.825 515 D HA 0.502 5.142 4.640 0.001 0.000 0.327 515 D C -1.429 174.396 176.300 -0.792 0.000 1.277 515 D CA 0.023 53.722 54.000 -0.502 0.000 0.950 515 D CB 2.286 42.776 40.800 -0.516 0.000 1.438 515 D HN 0.228 nan 8.370 nan 0.000 0.526 516 F N -0.200 119.297 119.950 -0.756 0.000 2.629 516 F HA 0.752 5.280 4.527 0.001 0.000 0.316 516 F C -0.805 175.030 175.800 0.059 0.000 1.081 516 F CA -1.090 56.578 58.000 -0.553 0.000 0.954 516 F CB 0.950 39.146 39.000 -1.339 0.000 1.337 516 F HN 0.248 nan 8.300 nan 0.000 0.474 517 I N -0.004 120.823 120.570 0.428 0.000 2.785 517 I HA 0.647 4.817 4.170 0.001 0.000 0.302 517 I C -1.344 175.019 176.117 0.410 0.000 1.069 517 I CA -1.258 60.258 61.300 0.360 0.000 1.045 517 I CB 2.454 40.666 38.000 0.354 0.000 1.236 517 I HN 0.633 nan 8.210 nan 0.000 0.429 518 I N 5.320 126.072 120.570 0.303 0.000 2.304 518 I HA 0.396 4.567 4.170 0.001 0.000 0.291 518 I C -0.652 175.620 176.117 0.258 0.000 1.018 518 I CA -0.368 61.084 61.300 0.254 0.000 1.260 518 I CB 1.079 39.186 38.000 0.179 0.000 1.390 518 I HN 0.358 nan 8.210 nan 0.000 0.475 519 L N 6.166 127.611 121.223 0.370 0.000 2.341 519 L HA 0.402 4.743 4.340 0.001 0.000 0.278 519 L C 0.093 177.127 176.870 0.273 0.000 1.005 519 L CA -0.773 54.262 54.840 0.325 0.000 0.818 519 L CB 1.415 43.700 42.059 0.376 0.000 1.259 519 L HN 0.634 nan 8.230 nan 0.000 0.418 520 N N 2.596 121.387 118.700 0.152 0.000 2.669 520 N HA -0.245 4.495 4.740 0.001 0.000 0.266 520 N C 0.141 175.699 175.510 0.079 0.000 1.024 520 N CA 0.649 53.759 53.050 0.099 0.000 0.766 520 N CB -0.534 38.007 38.487 0.090 0.000 0.898 520 N HN 0.722 nan 8.380 nan 0.000 0.548 521 E N -3.209 117.029 120.200 0.064 0.000 3.870 521 E HA -0.214 4.137 4.350 0.001 0.000 0.329 521 E C -0.607 175.987 176.600 -0.010 0.000 0.702 521 E CA 1.986 58.403 56.400 0.028 0.000 1.174 521 E CB -0.974 28.733 29.700 0.013 0.000 1.619 521 E HN 0.602 nan 8.360 nan 0.000 0.441 522 T N 0.700 115.241 114.554 -0.023 0.000 2.823 522 T HA 0.425 4.775 4.350 0.001 0.000 0.279 522 T C -0.099 174.414 174.700 -0.312 0.000 0.998 522 T CA -0.770 61.197 62.100 -0.221 0.000 0.994 522 T CB 1.383 70.019 68.868 -0.385 0.000 0.960 522 T HN -0.028 nan 8.240 nan 0.000 0.448 523 K N 2.469 122.653 120.400 -0.360 0.000 2.379 523 K HA 0.326 4.646 4.320 0.001 0.000 0.284 523 K C -0.971 175.336 176.600 -0.488 0.000 1.044 523 K CA 0.129 56.215 56.287 -0.336 0.000 0.974 523 K CB 0.294 32.470 32.500 -0.539 0.000 0.962 523 K HN 0.411 nan 8.250 nan 0.000 0.474 524 F N 2.010 122.001 119.950 0.068 0.000 2.507 524 F HA 0.307 4.834 4.527 0.001 0.000 0.325 524 F C -0.497 175.294 175.800 -0.015 0.000 1.116 524 F CA -0.818 57.192 58.000 0.016 0.000 0.930 524 F CB 0.994 39.993 39.000 -0.002 0.000 1.146 524 F HN 0.408 nan 8.300 nan 0.000 0.447 525 W N 4.290 125.634 121.300 0.074 0.000 2.390 525 W HA 0.493 5.154 4.660 0.001 0.000 0.312 525 W C -0.525 176.050 176.519 0.093 0.000 1.123 525 W CA -0.770 56.639 57.345 0.107 0.000 1.202 525 W CB 0.644 30.144 29.460 0.066 0.000 1.251 525 W HN 0.454 nan 8.180 nan 0.000 0.511 526 Y N 0.264 120.819 120.300 0.425 0.000 2.650 526 Y HA 0.779 5.330 4.550 0.001 0.000 0.331 526 Y C -0.571 175.547 175.900 0.364 0.000 1.082 526 Y CA -1.840 56.550 58.100 0.483 0.000 1.171 526 Y CB 1.142 40.073 38.460 0.784 0.000 1.326 526 Y HN 0.524 nan 8.280 nan 0.000 0.513 527 Q N 1.439 121.508 119.800 0.449 0.000 2.345 527 Q HA 0.678 5.019 4.340 0.001 0.000 0.275 527 Q C -1.828 174.296 176.000 0.208 0.000 1.063 527 Q CA -1.076 54.868 55.803 0.236 0.000 0.819 527 Q CB 3.015 31.843 28.738 0.150 0.000 1.356 527 Q HN 0.817 nan 8.270 nan 0.000 0.418 528 M N 2.961 122.608 119.600 0.078 0.000 2.259 528 M HA 0.442 4.923 4.480 0.001 0.000 0.304 528 M C -1.069 175.162 176.300 -0.115 0.000 1.019 528 M CA -1.002 54.263 55.300 -0.059 0.000 0.922 528 M CB 1.988 34.483 32.600 -0.175 0.000 1.600 528 M HN 0.608 nan 8.290 nan 0.000 0.433 529 I N 5.179 125.686 120.570 -0.106 0.000 2.294 529 I HA 0.306 4.476 4.170 0.001 0.000 0.295 529 I C -0.219 175.777 176.117 -0.201 0.000 1.098 529 I CA -0.203 61.018 61.300 -0.132 0.000 1.277 529 I CB -0.197 37.747 38.000 -0.094 0.000 1.434 529 I HN 0.665 nan 8.210 nan 0.000 0.498 530 L N 8.506 129.564 121.223 -0.276 0.000 2.292 530 L HA 0.388 4.729 4.340 0.001 0.000 0.284 530 L C -2.069 174.665 176.870 -0.227 0.000 1.065 530 L CA -1.746 52.851 54.840 -0.405 0.000 0.806 530 L CB 1.059 42.713 42.059 -0.675 0.000 1.175 530 L HN 0.247 nan 8.230 nan 0.000 0.431 531 P HA 0.029 nan 4.420 nan 0.000 0.267 531 P C -2.398 174.928 177.300 0.043 0.000 1.200 531 P CA -0.789 62.312 63.100 0.003 0.000 0.772 531 P CB -0.228 31.557 31.700 0.142 0.000 0.855 532 P HA -0.099 nan 4.420 nan 0.000 0.268 532 P C -0.005 177.325 177.300 0.051 0.000 1.208 532 P CA 0.695 63.757 63.100 -0.064 0.000 0.777 532 P CB 0.009 31.667 31.700 -0.070 0.000 0.875 533 H N -1.909 117.219 119.070 0.096 0.000 2.791 533 H HA -0.206 4.350 4.556 0.001 0.000 0.302 533 H C 0.205 175.608 175.328 0.125 0.000 1.198 533 H CA 0.196 56.298 56.048 0.091 0.000 1.145 533 H CB -2.308 27.494 29.762 0.066 0.000 1.385 533 H HN 0.420 nan 8.280 nan 0.000 0.409 534 F N 2.451 122.421 119.950 0.033 0.000 2.629 534 F HA 0.119 4.647 4.527 0.001 0.000 0.377 534 F C 0.585 176.410 175.800 0.042 0.000 1.101 534 F CA 0.214 58.196 58.000 -0.030 0.000 1.301 534 F CB 0.531 39.380 39.000 -0.252 0.000 1.062 534 F HN 0.136 nan 8.300 nan 0.000 0.583 535 D N 5.988 125.985 120.400 -0.671 0.000 2.469 535 D HA 0.186 4.826 4.640 0.001 0.000 0.251 535 D C 0.462 176.372 176.300 -0.649 0.000 1.173 535 D CA -0.451 53.281 54.000 -0.447 0.000 0.882 535 D CB 1.259 41.966 40.800 -0.154 0.000 1.129 535 D HN 0.621 nan 8.370 nan 0.000 0.549 536 K N 1.031 121.124 120.400 -0.511 0.000 2.286 536 K HA -0.089 4.232 4.320 0.001 0.000 0.203 536 K C 1.525 178.125 176.600 -0.001 0.000 1.045 536 K CA 0.804 56.971 56.287 -0.200 0.000 0.935 536 K CB 0.216 32.736 32.500 0.033 0.000 0.737 536 K HN 0.247 nan 8.250 nan 0.000 0.460 537 S N 0.937 116.604 115.700 -0.053 0.000 2.383 537 S HA -0.055 4.416 4.470 0.001 0.000 0.227 537 S C 0.707 175.291 174.600 -0.027 0.000 1.026 537 S CA 0.947 59.133 58.200 -0.022 0.000 0.981 537 S CB 0.060 63.234 63.200 -0.043 0.000 0.818 537 S HN 0.210 nan 8.310 nan 0.000 0.472 538 K N 1.759 122.113 120.400 -0.076 0.000 2.219 538 K HA 0.157 4.477 4.320 0.001 0.000 0.258 538 K C -0.108 176.483 176.600 -0.016 0.000 1.008 538 K CA 0.308 56.506 56.287 -0.149 0.000 0.928 538 K CB 0.385 32.629 32.500 -0.426 0.000 0.983 538 K HN -0.114 nan 8.250 nan 0.000 0.484 539 K N 3.194 123.546 120.400 -0.080 0.000 2.347 539 K HA 0.177 4.498 4.320 0.001 0.000 0.262 539 K C -0.941 175.643 176.600 -0.026 0.000 1.052 539 K CA -0.269 56.035 56.287 0.030 0.000 0.946 539 K CB 0.570 33.059 32.500 -0.018 0.000 1.220 539 K HN 0.477 nan 8.250 nan 0.000 0.450 540 Y N 3.285 123.613 120.300 0.046 0.000 2.304 540 Y HA 0.149 4.700 4.550 0.001 0.000 0.327 540 Y C -1.482 174.368 175.900 -0.084 0.000 1.209 540 Y CA -1.862 56.241 58.100 0.004 0.000 1.299 540 Y CB 0.376 38.896 38.460 0.101 0.000 1.249 540 Y HN 0.425 nan 8.280 nan 0.000 0.519 541 P HA 0.117 nan 4.420 nan 0.000 0.272 541 P C -1.115 176.059 177.300 -0.211 0.000 1.240 541 P CA -0.150 62.693 63.100 -0.429 0.000 0.791 541 P CB 1.339 32.419 31.700 -1.035 0.000 0.978 542 L N 1.508 122.632 121.223 -0.164 0.000 2.464 542 L HA 0.489 4.830 4.340 0.001 0.000 0.266 542 L C -1.410 175.664 176.870 0.340 0.000 0.965 542 L CA -1.089 53.819 54.840 0.113 0.000 0.833 542 L CB 1.888 44.026 42.059 0.132 0.000 1.296 542 L HN 0.130 nan 8.230 nan 0.000 0.405 543 L N 4.828 126.266 121.223 0.359 0.000 2.295 543 L HA 0.535 4.876 4.340 0.001 0.000 0.285 543 L C -1.165 175.957 176.870 0.421 0.000 1.035 543 L CA -0.251 54.850 54.840 0.435 0.000 0.806 543 L CB 1.593 43.858 42.059 0.344 0.000 1.214 543 L HN 0.644 nan 8.230 nan 0.000 0.426 544 L N 4.939 126.456 121.223 0.491 0.000 2.259 544 L HA 0.370 4.711 4.340 0.001 0.000 0.288 544 L C -0.616 176.522 176.870 0.446 0.000 1.051 544 L CA 0.031 55.151 54.840 0.467 0.000 0.824 544 L CB 0.462 42.820 42.059 0.498 0.000 1.206 544 L HN 0.590 nan 8.230 nan 0.000 0.429 545 D N 3.895 124.552 120.400 0.429 0.000 2.352 545 D HA 0.168 4.809 4.640 0.001 0.000 0.245 545 D C -0.866 175.567 176.300 0.221 0.000 1.224 545 D CA 0.233 54.441 54.000 0.346 0.000 0.879 545 D CB 0.994 42.051 40.800 0.427 0.000 1.057 545 D HN 0.272 nan 8.370 nan 0.000 0.491 546 V N 5.776 125.741 119.914 0.085 0.000 2.555 546 V HA 0.410 4.531 4.120 0.001 0.000 0.302 546 V C -0.834 175.363 176.094 0.173 0.000 1.038 546 V CA -0.399 61.992 62.300 0.153 0.000 0.887 546 V CB 1.596 33.496 31.823 0.129 0.000 0.991 546 V HN 0.654 nan 8.190 nan 0.000 0.434 547 Y N 5.659 126.040 120.300 0.136 0.000 3.011 547 Y HA 0.529 5.080 4.550 0.001 0.000 0.231 547 Y C 1.635 177.672 175.900 0.228 0.000 0.983 547 Y CA 1.105 59.306 58.100 0.168 0.000 1.429 547 Y CB 0.319 38.858 38.460 0.133 0.000 1.491 547 Y HN 0.993 nan 8.280 nan 0.000 0.444 548 A N 0.996 123.936 122.820 0.200 0.000 2.847 548 A HA -0.177 4.144 4.320 0.001 0.000 0.263 548 A C 0.890 178.370 177.584 -0.174 0.000 1.391 548 A CA 0.951 53.056 52.037 0.113 0.000 0.866 548 A CB -2.427 16.689 19.000 0.193 0.000 1.057 548 A HN 0.877 nan 8.150 nan 0.000 0.673 549 G N -1.096 107.360 108.800 -0.574 0.000 2.616 549 G HA2 0.515 4.475 3.960 0.001 0.000 0.268 549 G HA3 0.515 4.475 3.960 0.001 0.000 0.268 549 G C -2.422 172.210 174.900 -0.447 0.000 1.213 549 G CA -1.033 43.389 45.100 -1.130 0.000 0.926 549 G HN 0.278 nan 8.290 nan 0.000 0.523 550 P HA 0.109 nan 4.420 nan 0.000 0.263 550 P C 0.480 177.672 177.300 -0.179 0.000 1.195 550 P CA 0.100 62.919 63.100 -0.468 0.000 0.762 550 P CB 0.674 31.590 31.700 -1.307 0.000 0.799 551 C N 2.809 122.045 119.300 -0.108 0.000 4.432 551 C HA -0.142 4.318 4.460 0.001 0.000 0.294 551 C C 0.863 175.888 174.990 0.059 0.000 1.398 551 C CA 1.043 59.952 59.018 -0.181 0.000 1.988 551 C CB -2.762 24.668 27.740 -0.516 0.000 1.251 551 C HN 0.776 nan 8.230 nan 0.000 0.791 552 S N 0.161 115.962 115.700 0.168 0.000 2.617 552 S HA 0.581 5.052 4.470 0.001 0.000 0.269 552 S C -0.635 174.143 174.600 0.297 0.000 1.292 552 S CA -0.027 58.368 58.200 0.326 0.000 1.010 552 S CB 1.701 65.174 63.200 0.454 0.000 0.944 552 S HN 0.805 nan 8.310 nan 0.000 0.536 553 Q N 0.479 120.484 119.800 0.341 0.000 2.294 553 Q HA 0.362 4.702 4.340 0.001 0.000 0.264 553 Q C -0.485 175.650 176.000 0.226 0.000 0.992 553 Q CA -0.718 55.271 55.803 0.310 0.000 0.747 553 Q CB 1.022 30.002 28.738 0.402 0.000 1.262 553 Q HN 0.650 nan 8.270 nan 0.000 0.452 554 K N 1.033 121.568 120.400 0.225 0.000 2.354 554 K HA 0.305 4.626 4.320 0.001 0.000 0.194 554 K C -0.158 176.550 176.600 0.180 0.000 1.045 554 K CA 0.405 56.812 56.287 0.200 0.000 1.026 554 K CB 1.119 33.772 32.500 0.256 0.000 0.866 554 K HN 0.520 nan 8.250 nan 0.000 0.530 555 A N 3.084 126.019 122.820 0.192 0.000 2.341 555 A HA 0.364 4.685 4.320 0.001 0.000 0.326 555 A C -0.689 176.956 177.584 0.102 0.000 1.402 555 A CA -0.524 51.621 52.037 0.180 0.000 0.957 555 A CB -0.094 19.066 19.000 0.266 0.000 1.151 555 A HN 0.232 nan 8.150 nan 0.000 0.533 556 D N 0.064 120.494 120.400 0.051 0.000 2.732 556 D HA 0.409 5.050 4.640 0.001 0.000 0.292 556 D C 0.542 176.827 176.300 -0.024 0.000 1.135 556 D CA 0.241 54.242 54.000 0.002 0.000 1.071 556 D CB 0.240 41.006 40.800 -0.056 0.000 1.457 556 D HN 0.132 nan 8.370 nan 0.000 0.547 557 T N -2.455 112.087 114.554 -0.020 0.000 3.122 557 T HA 0.281 4.631 4.350 0.001 0.000 0.250 557 T C 0.648 175.298 174.700 -0.083 0.000 1.067 557 T CA -0.299 61.802 62.100 0.002 0.000 0.966 557 T CB -0.543 68.387 68.868 0.103 0.000 1.002 557 T HN 0.273 nan 8.240 nan 0.000 0.542 558 V N 2.456 122.212 119.914 -0.263 0.000 2.614 558 V HA 0.344 4.465 4.120 0.001 0.000 0.291 558 V C 0.081 176.122 176.094 -0.090 0.000 1.049 558 V CA -1.176 60.952 62.300 -0.286 0.000 1.038 558 V CB 0.115 31.626 31.823 -0.519 0.000 0.980 558 V HN 0.466 nan 8.190 nan 0.000 0.481 559 F N 5.827 125.688 119.950 -0.147 0.000 2.456 559 F HA 0.527 5.055 4.527 0.001 0.000 0.358 559 F C 0.551 176.302 175.800 -0.082 0.000 1.095 559 F CA -0.075 57.864 58.000 -0.102 0.000 1.216 559 F CB 0.306 39.255 39.000 -0.084 0.000 1.125 559 F HN 0.429 nan 8.300 nan 0.000 0.549 560 R N 6.403 126.399 120.500 -0.841 0.000 2.628 560 R HA 0.514 4.855 4.340 0.001 0.000 0.288 560 R C -1.543 174.326 176.300 -0.717 0.000 0.980 560 R CA -0.971 54.800 56.100 -0.548 0.000 0.891 560 R CB 1.983 32.119 30.300 -0.274 0.000 1.188 560 R HN 0.666 nan 8.270 nan 0.000 0.450 561 L N 4.615 125.622 121.223 -0.359 0.000 2.356 561 L HA 0.370 4.711 4.340 0.001 0.000 0.264 561 L C -0.699 176.189 176.870 0.030 0.000 1.029 561 L CA -0.665 54.025 54.840 -0.250 0.000 0.897 561 L CB 0.265 42.284 42.059 -0.065 0.000 1.256 561 L HN 0.727 nan 8.230 nan 0.000 0.444 562 N N -0.260 118.390 118.700 -0.084 0.000 3.283 562 N HA 0.184 4.925 4.740 0.001 0.000 0.338 562 N C 0.359 175.575 175.510 -0.490 0.000 1.517 562 N CA -0.887 52.032 53.050 -0.217 0.000 0.733 562 N CB 0.183 38.649 38.487 -0.036 0.000 1.797 562 N HN 0.215 nan 8.380 nan 0.000 0.637 563 W N 0.712 121.429 121.300 -0.972 0.000 2.318 563 W HA -0.030 4.630 4.660 0.001 0.000 0.313 563 W C 2.164 178.643 176.519 -0.067 0.000 1.221 563 W CA 3.142 60.178 57.345 -0.514 0.000 1.266 563 W CB -1.101 28.258 29.460 -0.167 0.000 1.150 563 W HN 0.703 nan 8.180 nan 0.000 0.496 564 A N -0.529 122.303 122.820 0.021 0.000 1.917 564 A HA -0.271 4.050 4.320 0.001 0.000 0.219 564 A C 1.962 179.469 177.584 -0.128 0.000 1.182 564 A CA 2.912 54.897 52.037 -0.087 0.000 0.633 564 A CB -1.392 17.637 19.000 0.048 0.000 0.819 564 A HN 0.335 nan 8.150 nan 0.000 0.448 565 T N -1.356 113.144 114.554 -0.090 0.000 2.684 565 T HA -0.231 4.120 4.350 0.001 0.000 0.267 565 T C 1.771 176.532 174.700 0.102 0.000 1.036 565 T CA 1.712 63.753 62.100 -0.099 0.000 1.148 565 T CB -0.575 68.096 68.868 -0.329 0.000 0.863 565 T HN 0.688 nan 8.240 nan 0.000 0.436 566 Y N 1.887 122.287 120.300 0.167 0.000 2.128 566 Y HA -0.131 4.419 4.550 0.001 0.000 0.284 566 Y C 2.070 177.952 175.900 -0.030 0.000 1.154 566 Y CA 1.159 59.352 58.100 0.154 0.000 1.149 566 Y CB -0.529 37.978 38.460 0.078 0.000 0.976 566 Y HN 0.093 nan 8.280 nan 0.000 0.505 567 L N 0.311 121.104 121.223 -0.716 0.000 2.042 567 L HA -0.246 4.094 4.340 0.001 0.000 0.210 567 L C 2.884 179.521 176.870 -0.389 0.000 1.076 567 L CA 1.242 55.605 54.840 -0.795 0.000 0.749 567 L CB -0.970 40.657 42.059 -0.719 0.000 0.893 567 L HN 0.468 nan 8.230 nan 0.000 0.432 568 A N -0.946 121.735 122.820 -0.232 0.000 1.854 568 A HA -0.203 4.117 4.320 0.001 0.000 0.214 568 A C 2.536 180.086 177.584 -0.056 0.000 1.192 568 A CA 1.884 53.852 52.037 -0.117 0.000 0.611 568 A CB -0.724 18.210 19.000 -0.110 0.000 0.832 568 A HN 0.368 nan 8.150 nan 0.000 0.442 569 S N -1.359 114.324 115.700 -0.027 0.000 2.355 569 S HA -0.117 4.354 4.470 0.001 0.000 0.222 569 S C 2.001 176.642 174.600 0.070 0.000 1.031 569 S CA 2.286 60.518 58.200 0.053 0.000 0.993 569 S CB -0.484 62.794 63.200 0.130 0.000 0.859 569 S HN 0.543 nan 8.310 nan 0.000 0.453 570 T N 1.240 115.815 114.554 0.036 0.000 2.983 570 T HA 0.183 4.533 4.350 0.001 0.000 0.250 570 T C 1.379 176.065 174.700 -0.023 0.000 1.037 570 T CA 0.651 62.788 62.100 0.061 0.000 1.142 570 T CB -0.104 68.901 68.868 0.227 0.000 0.876 570 T HN 0.337 nan 8.240 nan 0.000 0.455 571 E N 1.300 121.390 120.200 -0.184 0.000 2.474 571 E HA 0.159 4.509 4.350 0.001 0.000 0.195 571 E C 0.259 176.840 176.600 -0.031 0.000 1.039 571 E CA -0.066 56.257 56.400 -0.128 0.000 0.881 571 E CB -0.032 29.514 29.700 -0.257 0.000 0.970 571 E HN 0.291 nan 8.360 nan 0.000 0.486 572 N N 0.574 119.277 118.700 0.004 0.000 2.708 572 N HA -0.212 4.528 4.740 0.001 0.000 0.251 572 N C -0.229 175.381 175.510 0.165 0.000 1.123 572 N CA 0.688 53.812 53.050 0.124 0.000 0.739 572 N CB -1.734 36.840 38.487 0.144 0.000 1.113 572 N HN 0.310 nan 8.380 nan 0.000 0.561 573 I N 1.195 121.794 120.570 0.047 0.000 2.519 573 I HA 0.158 4.328 4.170 0.001 0.000 0.287 573 I C 1.143 177.272 176.117 0.021 0.000 1.047 573 I CA -0.312 61.022 61.300 0.057 0.000 1.381 573 I CB 0.676 38.716 38.000 0.067 0.000 1.417 573 I HN -0.051 nan 8.210 nan 0.000 0.540 574 I N 6.225 126.816 120.570 0.034 0.000 2.395 574 I HA 0.205 4.376 4.170 0.001 0.000 0.289 574 I C -0.416 175.707 176.117 0.010 0.000 1.023 574 I CA -0.531 60.744 61.300 -0.042 0.000 1.350 574 I CB 1.132 39.090 38.000 -0.070 0.000 1.409 574 I HN 0.192 nan 8.210 nan 0.000 0.507 575 V N 6.106 126.011 119.914 -0.014 0.000 2.370 575 V HA 0.692 4.813 4.120 0.001 0.000 0.283 575 V C 0.250 176.387 176.094 0.072 0.000 1.023 575 V CA -0.452 61.889 62.300 0.068 0.000 0.857 575 V CB 1.233 33.093 31.823 0.062 0.000 0.985 575 V HN 0.850 nan 8.190 nan 0.000 0.443 576 A N 3.864 126.772 122.820 0.146 0.000 2.374 576 A HA 0.942 5.263 4.320 0.001 0.000 0.317 576 A C -0.292 177.491 177.584 0.331 0.000 1.094 576 A CA -0.490 51.635 52.037 0.147 0.000 0.765 576 A CB 1.889 20.845 19.000 -0.073 0.000 1.268 576 A HN 0.697 nan 8.150 nan 0.000 0.438 577 S N -0.214 115.719 115.700 0.389 0.000 2.599 577 S HA 0.837 5.307 4.470 0.001 0.000 0.287 577 S C -1.495 173.488 174.600 0.638 0.000 1.105 577 S CA -0.331 58.143 58.200 0.456 0.000 0.899 577 S CB 1.457 64.858 63.200 0.335 0.000 1.100 577 S HN 0.883 nan 8.310 nan 0.000 0.482 578 F N 1.607 121.803 119.950 0.410 0.000 2.605 578 F HA 0.369 4.896 4.527 0.001 0.000 0.320 578 F C -1.830 174.175 175.800 0.343 0.000 1.159 578 F CA -0.621 57.637 58.000 0.431 0.000 0.999 578 F CB 1.341 40.567 39.000 0.377 0.000 1.258 578 F HN 0.398 nan 8.300 nan 0.000 0.464 579 D N 4.870 125.209 120.400 -0.102 0.000 2.396 579 D HA 0.402 5.043 4.640 0.001 0.000 0.225 579 D C 0.397 176.604 176.300 -0.155 0.000 1.121 579 D CA 0.160 54.166 54.000 0.010 0.000 0.853 579 D CB 1.537 42.416 40.800 0.132 0.000 1.043 579 D HN 0.739 nan 8.370 nan 0.000 0.500 580 G N 1.377 110.232 108.800 0.092 0.000 2.736 580 G HA2 0.295 4.255 3.960 0.001 0.000 0.229 580 G HA3 0.295 4.255 3.960 0.001 0.000 0.229 580 G C 0.048 175.053 174.900 0.174 0.000 1.380 580 G CA -0.801 44.353 45.100 0.090 0.000 1.040 580 G HN 0.294 nan 8.290 nan 0.000 0.568 581 R N -0.586 119.970 120.500 0.094 0.000 2.538 581 R HA 0.359 4.700 4.340 0.001 0.000 0.282 581 R C 1.233 177.649 176.300 0.194 0.000 1.009 581 R CA 1.583 57.802 56.100 0.198 0.000 1.063 581 R CB 0.404 30.784 30.300 0.133 0.000 0.945 581 R HN 1.062 nan 8.270 nan 0.000 0.414 582 G N 1.304 110.205 108.800 0.167 0.000 2.232 582 G HA2 -0.320 3.640 3.960 0.001 0.000 0.226 582 G HA3 -0.320 3.640 3.960 0.001 0.000 0.226 582 G C 0.162 175.103 174.900 0.068 0.000 0.996 582 G CA 0.126 45.301 45.100 0.126 0.000 0.626 582 G HN 0.723 nan 8.290 nan 0.000 0.509 583 S N 0.263 116.019 115.700 0.093 0.000 2.608 583 S HA 0.671 5.141 4.470 0.001 0.000 0.261 583 S C 0.808 175.393 174.600 -0.026 0.000 1.314 583 S CA 0.434 58.678 58.200 0.073 0.000 0.992 583 S CB 1.693 64.980 63.200 0.144 0.000 0.935 583 S HN 1.681 nan 8.310 nan 0.000 0.564 584 G N -1.339 107.399 108.800 -0.104 0.000 2.491 584 G HA2 0.523 4.484 3.960 0.001 0.000 0.327 584 G HA3 0.523 4.484 3.960 0.001 0.000 0.327 584 G C -0.820 173.892 174.900 -0.313 0.000 1.189 584 G CA -1.013 43.819 45.100 -0.446 0.000 0.956 584 G HN 1.058 nan 8.290 nan 0.000 0.491 585 Y N -2.370 117.926 120.300 -0.008 0.000 4.929 585 Y HA -0.247 4.304 4.550 0.001 0.000 0.252 585 Y C 1.532 177.434 175.900 0.003 0.000 0.950 585 Y CA 1.021 59.124 58.100 0.005 0.000 1.935 585 Y CB -1.677 36.806 38.460 0.038 0.000 1.440 585 Y HN 0.533 nan 8.280 nan 0.000 0.567 586 Q N 0.597 120.414 119.800 0.030 0.000 2.135 586 Q HA 0.514 4.855 4.340 0.001 0.000 0.222 586 Q C 0.891 176.796 176.000 -0.157 0.000 0.808 586 Q CA 0.297 56.120 55.803 0.033 0.000 1.049 586 Q CB 1.847 30.605 28.738 0.034 0.000 1.168 586 Q HN 0.529 nan 8.270 nan 0.000 0.483 587 G N 0.605 109.201 108.800 -0.341 0.000 2.619 587 G HA2 -0.172 3.789 3.960 0.001 0.000 0.686 587 G HA3 -0.172 3.789 3.960 0.001 0.000 0.686 587 G C -0.646 173.911 174.900 -0.571 0.000 1.256 587 G CA -0.603 44.052 45.100 -0.742 0.000 0.826 587 G HN 0.083 nan 8.290 nan 0.000 0.619 588 D N -0.290 119.734 120.400 -0.626 0.000 2.277 588 D HA -0.011 4.630 4.640 0.001 0.000 0.208 588 D C 2.208 178.242 176.300 -0.444 0.000 0.962 588 D CA 1.088 54.684 54.000 -0.674 0.000 0.865 588 D CB 0.090 40.499 40.800 -0.653 0.000 0.939 588 D HN 0.537 nan 8.370 nan 0.000 0.510 589 K N 0.562 120.759 120.400 -0.339 0.000 2.032 589 K HA -0.113 4.208 4.320 0.001 0.000 0.209 589 K C 2.035 178.561 176.600 -0.125 0.000 1.048 589 K CA 0.915 57.088 56.287 -0.191 0.000 0.927 589 K CB -0.055 32.339 32.500 -0.176 0.000 0.712 589 K HN 0.095 nan 8.250 nan 0.000 0.441 590 I N 0.515 121.000 120.570 -0.143 0.000 2.233 590 I HA -0.247 3.923 4.170 0.001 0.000 0.243 590 I C 2.690 178.794 176.117 -0.022 0.000 1.093 590 I CA 0.999 62.286 61.300 -0.021 0.000 1.380 590 I CB -0.123 37.881 38.000 0.006 0.000 1.067 590 I HN 0.298 nan 8.210 nan 0.000 0.413 591 M N -0.036 119.469 119.600 -0.158 0.000 2.132 591 M HA -0.204 4.276 4.480 0.001 0.000 0.263 591 M C 2.112 178.414 176.300 0.002 0.000 1.065 591 M CA 1.788 57.004 55.300 -0.140 0.000 1.122 591 M CB -0.220 32.173 32.600 -0.345 0.000 1.365 591 M HN 0.256 nan 8.290 nan 0.000 0.411 592 H N -0.181 118.802 119.070 -0.146 0.000 2.551 592 H HA 0.210 4.767 4.556 0.001 0.000 0.266 592 H C 1.946 177.318 175.328 0.074 0.000 0.977 592 H CA 0.816 56.799 56.048 -0.108 0.000 1.163 592 H CB -0.505 29.102 29.762 -0.259 0.000 1.381 592 H HN 0.485 nan 8.280 nan 0.000 0.581 593 A N 1.515 124.443 122.820 0.181 0.000 1.986 593 A HA -0.153 4.168 4.320 0.001 0.000 0.220 593 A C 2.036 179.829 177.584 0.349 0.000 1.171 593 A CA 1.610 53.757 52.037 0.183 0.000 0.640 593 A CB -0.541 18.516 19.000 0.096 0.000 0.811 593 A HN 0.394 nan 8.150 nan 0.000 0.451 594 I N -1.561 119.209 120.570 0.333 0.000 3.904 594 I HA 0.118 4.289 4.170 0.001 0.000 0.333 594 I C 0.189 176.427 176.117 0.201 0.000 1.361 594 I CA -0.606 60.864 61.300 0.284 0.000 1.116 594 I CB -1.922 36.206 38.000 0.214 0.000 1.028 594 I HN 0.300 nan 8.210 nan 0.000 0.398 595 N N 2.925 121.795 118.700 0.284 0.000 2.412 595 N HA -0.090 4.651 4.740 0.001 0.000 0.258 595 N C 0.051 175.621 175.510 0.099 0.000 1.236 595 N CA 0.247 53.461 53.050 0.275 0.000 0.882 595 N CB 0.270 38.917 38.487 0.266 0.000 1.066 595 N HN 0.309 nan 8.380 nan 0.000 0.465 596 R N 0.848 121.374 120.500 0.044 0.000 3.758 596 R HA -0.199 4.141 4.340 0.001 0.000 0.299 596 R C -0.325 175.892 176.300 -0.139 0.000 1.182 596 R CA 0.681 56.758 56.100 -0.038 0.000 0.809 596 R CB -0.914 29.377 30.300 -0.015 0.000 1.249 596 R HN 0.632 nan 8.270 nan 0.000 0.497 597 R N 0.266 120.689 120.500 -0.128 0.000 2.470 597 R HA 0.284 4.624 4.340 0.001 0.000 0.354 597 R C -0.580 175.717 176.300 -0.004 0.000 1.058 597 R CA -0.186 55.738 56.100 -0.294 0.000 1.183 597 R CB 0.557 30.693 30.300 -0.273 0.000 1.398 597 R HN 0.056 nan 8.270 nan 0.000 0.679 598 L N -0.285 121.000 121.223 0.104 0.000 2.461 598 L HA 0.280 4.621 4.340 0.001 0.000 0.272 598 L C 1.305 178.431 176.870 0.427 0.000 1.197 598 L CA 1.009 55.959 54.840 0.184 0.000 0.836 598 L CB 0.628 42.603 42.059 -0.139 0.000 1.105 598 L HN 0.671 nan 8.230 nan 0.000 0.477 599 G N 0.796 109.878 108.800 0.470 0.000 2.136 599 G HA2 -0.295 3.665 3.960 0.001 0.000 0.242 599 G HA3 -0.295 3.665 3.960 0.001 0.000 0.242 599 G C 0.465 175.440 174.900 0.124 0.000 0.989 599 G CA 0.602 45.894 45.100 0.320 0.000 0.682 599 G HN 0.846 nan 8.290 nan 0.000 0.522 600 T N -3.337 111.253 114.554 0.059 0.000 3.066 600 T HA 0.510 4.860 4.350 0.001 0.000 0.176 600 T C 1.666 176.300 174.700 -0.109 0.000 0.826 600 T CA 0.967 62.971 62.100 -0.160 0.000 1.280 600 T CB -0.049 68.505 68.868 -0.523 0.000 2.214 600 T HN 0.143 nan 8.240 nan 0.000 0.399 601 F N 3.042 123.037 119.950 0.075 0.000 2.102 601 F HA 0.095 4.623 4.527 0.001 0.000 0.298 601 F C 2.650 178.482 175.800 0.053 0.000 1.105 601 F CA 1.460 59.489 58.000 0.049 0.000 1.239 601 F CB -1.070 37.959 39.000 0.048 0.000 0.991 601 F HN 0.566 nan 8.300 nan 0.000 0.474 602 E N 0.127 120.487 120.200 0.267 0.000 2.097 602 E HA -0.178 4.173 4.350 0.001 0.000 0.196 602 E C 2.103 178.802 176.600 0.165 0.000 1.000 602 E CA 1.786 58.314 56.400 0.213 0.000 0.804 602 E CB -1.034 28.802 29.700 0.227 0.000 0.740 602 E HN 0.251 nan 8.360 nan 0.000 0.454 603 V N 1.494 121.480 119.914 0.121 0.000 2.270 603 V HA -0.240 3.881 4.120 0.001 0.000 0.245 603 V C 2.240 178.354 176.094 0.033 0.000 1.043 603 V CA 2.224 64.547 62.300 0.038 0.000 1.014 603 V CB -0.625 31.179 31.823 -0.033 0.000 0.645 603 V HN 0.231 nan 8.190 nan 0.000 0.447 604 E N 0.098 120.332 120.200 0.056 0.000 2.130 604 E HA -0.257 4.094 4.350 0.001 0.000 0.196 604 E C 1.897 178.508 176.600 0.018 0.000 0.998 604 E CA 1.620 58.051 56.400 0.052 0.000 0.806 604 E CB -0.177 29.590 29.700 0.112 0.000 0.738 604 E HN 0.595 nan 8.360 nan 0.000 0.459 605 D N -0.033 120.389 120.400 0.038 0.000 2.224 605 D HA -0.106 4.535 4.640 0.001 0.000 0.205 605 D C 1.931 178.149 176.300 -0.137 0.000 0.965 605 D CA 0.578 54.553 54.000 -0.042 0.000 0.852 605 D CB -0.061 40.768 40.800 0.048 0.000 0.947 605 D HN 0.076 nan 8.370 nan 0.000 0.494 606 Q N 0.333 120.134 119.800 0.002 0.000 2.084 606 Q HA -0.059 4.282 4.340 0.001 0.000 0.202 606 Q C 2.529 178.532 176.000 0.004 0.000 0.978 606 Q CA 0.625 56.434 55.803 0.010 0.000 0.844 606 Q CB -0.273 28.509 28.738 0.074 0.000 0.898 606 Q HN 0.424 nan 8.270 nan 0.000 0.426 607 I N 0.636 121.234 120.570 0.047 0.000 2.179 607 I HA -0.273 3.898 4.170 0.001 0.000 0.242 607 I C 2.390 178.444 176.117 -0.104 0.000 1.088 607 I CA 1.390 62.766 61.300 0.127 0.000 1.357 607 I CB -0.292 37.777 38.000 0.114 0.000 1.051 607 I HN 0.155 nan 8.210 nan 0.000 0.409 608 E N 1.513 121.589 120.200 -0.206 0.000 2.110 608 E HA -0.198 4.153 4.350 0.001 0.000 0.193 608 E C 2.085 178.358 176.600 -0.546 0.000 0.988 608 E CA 1.562 57.778 56.400 -0.307 0.000 0.804 608 E CB -0.166 29.379 29.700 -0.258 0.000 0.745 608 E HN 0.421 nan 8.360 nan 0.000 0.458 609 A N 1.047 123.361 122.820 -0.844 0.000 1.865 609 A HA -0.111 4.210 4.320 0.001 0.000 0.217 609 A C 2.514 179.335 177.584 -1.271 0.000 1.191 609 A CA 2.396 53.605 52.037 -1.379 0.000 0.623 609 A CB -1.301 16.744 19.000 -1.591 0.000 0.826 609 A HN 0.418 nan 8.150 nan 0.000 0.444 610 A N -0.117 122.336 122.820 -0.613 0.000 1.873 610 A HA -0.253 4.067 4.320 0.001 0.000 0.218 610 A C 2.253 179.635 177.584 -0.337 0.000 1.193 610 A CA 1.882 53.727 52.037 -0.321 0.000 0.629 610 A CB -0.595 18.238 19.000 -0.279 0.000 0.826 610 A HN 0.593 nan 8.150 nan 0.000 0.447 611 R N -1.126 119.171 120.500 -0.340 0.000 2.080 611 R HA -0.165 4.175 4.340 0.001 0.000 0.236 611 R C 2.467 178.610 176.300 -0.262 0.000 1.137 611 R CA 1.522 57.464 56.100 -0.262 0.000 0.943 611 R CB -0.465 29.705 30.300 -0.216 0.000 0.846 611 R HN 0.539 nan 8.270 nan 0.000 0.431 612 Q N -0.061 119.523 119.800 -0.360 0.000 2.152 612 Q HA -0.169 4.171 4.340 0.001 0.000 0.206 612 Q C 2.087 177.969 176.000 -0.196 0.000 0.985 612 Q CA 1.561 57.179 55.803 -0.308 0.000 0.863 612 Q CB -0.249 28.246 28.738 -0.405 0.000 0.904 612 Q HN 0.270 nan 8.270 nan 0.000 0.422 613 F N 0.949 120.744 119.950 -0.259 0.000 2.060 613 F HA -0.160 4.367 4.527 0.001 0.000 0.295 613 F C 2.762 178.352 175.800 -0.351 0.000 1.120 613 F CA 1.327 59.156 58.000 -0.284 0.000 1.205 613 F CB -1.518 37.371 39.000 -0.186 0.000 0.986 613 F HN 0.087 nan 8.300 nan 0.000 0.470 614 S N -0.143 115.512 115.700 -0.074 0.000 2.383 614 S HA -0.245 4.225 4.470 0.001 0.000 0.229 614 S C 1.924 176.402 174.600 -0.204 0.000 1.030 614 S CA 1.278 59.382 58.200 -0.161 0.000 1.002 614 S CB -0.774 62.349 63.200 -0.127 0.000 0.829 614 S HN 0.351 nan 8.310 nan 0.000 0.467 615 K N 0.460 120.758 120.400 -0.170 0.000 2.519 615 K HA 0.179 4.500 4.320 0.001 0.000 0.196 615 K C 1.768 178.266 176.600 -0.169 0.000 1.041 615 K CA 0.694 56.893 56.287 -0.147 0.000 0.954 615 K CB -0.268 32.160 32.500 -0.121 0.000 0.774 615 K HN 0.458 nan 8.250 nan 0.000 0.480 616 M N -1.576 117.862 119.600 -0.270 0.000 2.506 616 M HA 0.036 4.517 4.480 0.001 0.000 0.260 616 M C 1.056 177.086 176.300 -0.451 0.000 1.104 616 M CA 1.007 56.101 55.300 -0.344 0.000 1.112 616 M CB 0.756 33.085 32.600 -0.451 0.000 1.401 616 M HN 0.387 nan 8.290 nan 0.000 0.473 617 G N 0.497 109.014 108.800 -0.471 0.000 2.184 617 G HA2 -0.248 3.713 3.960 0.001 0.000 0.206 617 G HA3 -0.248 3.713 3.960 0.001 0.000 0.206 617 G C 0.298 175.141 174.900 -0.096 0.000 0.995 617 G CA 0.054 45.023 45.100 -0.218 0.000 0.651 617 G HN 0.593 nan 8.290 nan 0.000 0.511 618 F N -0.630 119.378 119.950 0.095 0.000 2.817 618 F HA 0.738 5.266 4.527 0.001 0.000 0.319 618 F C -0.022 175.885 175.800 0.178 0.000 1.136 618 F CA -0.959 57.130 58.000 0.148 0.000 1.177 618 F CB 0.413 39.555 39.000 0.237 0.000 1.088 618 F HN 0.055 nan 8.300 nan 0.000 0.520 619 V N 1.495 121.444 119.914 0.057 0.000 2.459 619 V HA 0.242 4.363 4.120 0.001 0.000 0.295 619 V C -0.742 175.357 176.094 0.007 0.000 1.029 619 V CA -0.657 61.687 62.300 0.074 0.000 0.874 619 V CB 1.664 33.479 31.823 -0.014 0.000 0.985 619 V HN 0.152 nan 8.190 nan 0.000 0.438 620 D N 3.999 124.396 120.400 -0.004 0.000 2.336 620 D HA 0.109 4.750 4.640 0.001 0.000 0.249 620 D C 1.042 177.302 176.300 -0.066 0.000 1.213 620 D CA 0.051 54.020 54.000 -0.052 0.000 0.870 620 D CB 0.784 41.531 40.800 -0.087 0.000 1.076 620 D HN 0.405 nan 8.370 nan 0.000 0.483 621 N N 3.488 122.150 118.700 -0.064 0.000 2.120 621 N HA -0.142 4.599 4.740 0.001 0.000 0.188 621 N C 1.110 176.585 175.510 -0.058 0.000 1.024 621 N CA 0.871 53.876 53.050 -0.074 0.000 0.852 621 N CB 0.004 38.445 38.487 -0.076 0.000 1.003 621 N HN 0.536 nan 8.380 nan 0.000 0.424 622 K N 0.515 120.891 120.400 -0.041 0.000 2.519 622 K HA -0.017 4.304 4.320 0.001 0.000 0.196 622 K C 0.117 176.728 176.600 0.018 0.000 1.041 622 K CA 0.659 56.938 56.287 -0.013 0.000 0.954 622 K CB 0.132 32.625 32.500 -0.013 0.000 0.774 622 K HN 0.169 nan 8.250 nan 0.000 0.480 623 R N 0.849 121.339 120.500 -0.017 0.000 2.644 623 R HA 0.339 4.679 4.340 0.001 0.000 0.271 623 R C -1.016 175.288 176.300 0.006 0.000 1.687 623 R CA -0.158 55.943 56.100 0.001 0.000 1.655 623 R CB 0.639 30.780 30.300 -0.264 0.000 1.285 623 R HN -0.018 nan 8.270 nan 0.000 0.643 624 I N 1.161 121.821 120.570 0.150 0.000 2.406 624 I HA 0.580 4.751 4.170 0.001 0.000 0.290 624 I C 0.041 176.443 176.117 0.475 0.000 0.999 624 I CA -0.709 60.718 61.300 0.212 0.000 1.124 624 I CB 1.976 39.944 38.000 -0.053 0.000 1.289 624 I HN 0.337 nan 8.210 nan 0.000 0.441 625 A N 6.761 129.963 122.820 0.637 0.000 2.387 625 A HA 0.943 5.264 4.320 0.001 0.000 0.298 625 A C -1.114 176.830 177.584 0.600 0.000 1.165 625 A CA -0.672 51.725 52.037 0.600 0.000 0.814 625 A CB 1.911 21.166 19.000 0.426 0.000 1.357 625 A HN 0.717 nan 8.150 nan 0.000 0.443 626 I N 0.537 121.373 120.570 0.444 0.000 2.680 626 I HA 0.612 4.783 4.170 0.001 0.000 0.291 626 I C -1.972 174.382 176.117 0.394 0.000 1.244 626 I CA -0.372 61.117 61.300 0.316 0.000 1.042 626 I CB 1.391 39.303 38.000 -0.148 0.000 1.277 626 I HN 0.903 nan 8.210 nan 0.000 0.423 627 W N 7.581 129.006 121.300 0.207 0.000 3.127 627 W HA 0.878 5.538 4.660 0.001 0.000 0.330 627 W C -1.506 175.152 176.519 0.232 0.000 1.187 627 W CA -1.184 56.286 57.345 0.208 0.000 1.198 627 W CB 1.344 30.976 29.460 0.286 0.000 1.408 627 W HN 0.784 nan 8.180 nan 0.000 0.529 628 G N 1.771 110.438 108.800 -0.222 0.000 2.720 628 G HA2 0.475 4.436 3.960 0.001 0.000 0.295 628 G HA3 0.475 4.436 3.960 0.001 0.000 0.295 628 G C -2.587 172.171 174.900 -0.237 0.000 1.437 628 G CA -0.687 44.169 45.100 -0.407 0.000 0.886 628 G HN 0.586 nan 8.290 nan 0.000 0.509 629 W N 1.457 122.552 121.300 -0.342 0.000 2.570 629 W HA 0.581 5.242 4.660 0.001 0.000 0.337 629 W C 0.870 177.412 176.519 0.038 0.000 1.067 629 W CA 0.483 57.749 57.345 -0.132 0.000 1.229 629 W CB 1.853 31.232 29.460 -0.135 0.000 1.355 629 W HN 1.046 nan 8.180 nan 0.000 0.555 630 S N 2.442 118.365 115.700 0.371 0.000 4.059 630 S HA -0.425 4.046 4.470 0.001 0.000 0.624 630 S C 1.210 175.939 174.600 0.216 0.000 2.019 630 S CA 1.740 60.205 58.200 0.442 0.000 4.197 630 S CB -1.869 61.760 63.200 0.716 0.000 0.215 630 S HN 0.723 nan 8.310 nan 0.000 0.609 631 Y N 2.033 122.387 120.300 0.090 0.000 2.193 631 Y HA -0.081 4.470 4.550 0.001 0.000 0.285 631 Y C 2.398 178.258 175.900 -0.066 0.000 1.166 631 Y CA 2.644 60.702 58.100 -0.071 0.000 1.181 631 Y CB -1.025 37.225 38.460 -0.349 0.000 0.976 631 Y HN 0.562 nan 8.280 nan 0.000 0.520 632 G N -0.895 107.984 108.800 0.133 0.000 2.432 632 G HA2 -0.258 3.703 3.960 0.001 0.000 0.219 632 G HA3 -0.258 3.703 3.960 0.001 0.000 0.219 632 G C 1.852 176.780 174.900 0.047 0.000 1.135 632 G CA 0.777 45.943 45.100 0.111 0.000 0.767 632 G HN 0.589 nan 8.290 nan 0.000 0.550 633 G N -0.083 108.745 108.800 0.046 0.000 2.421 633 G HA2 -0.259 3.702 3.960 0.001 0.000 0.216 633 G HA3 -0.259 3.702 3.960 0.001 0.000 0.216 633 G C 1.567 176.474 174.900 0.012 0.000 1.171 633 G CA 1.083 46.187 45.100 0.007 0.000 0.775 633 G HN 0.476 nan 8.290 nan 0.000 0.543 634 Y N 1.232 121.424 120.300 -0.180 0.000 2.097 634 Y HA -0.211 4.339 4.550 0.001 0.000 0.282 634 Y C 2.870 178.663 175.900 -0.179 0.000 1.152 634 Y CA 2.134 60.071 58.100 -0.270 0.000 1.136 634 Y CB -0.315 37.820 38.460 -0.542 0.000 0.975 634 Y HN 0.039 nan 8.280 nan 0.000 0.498 635 V N -0.174 119.618 119.914 -0.204 0.000 2.332 635 V HA -0.348 3.773 4.120 0.001 0.000 0.248 635 V C 2.294 178.270 176.094 -0.197 0.000 1.055 635 V CA 2.366 64.542 62.300 -0.208 0.000 1.038 635 V CB -1.300 30.543 31.823 0.032 0.000 0.651 635 V HN 0.516 nan 8.190 nan 0.000 0.450 636 T N 0.151 114.642 114.554 -0.106 0.000 2.635 636 T HA -0.227 4.123 4.350 0.001 0.000 0.267 636 T C 2.155 176.791 174.700 -0.106 0.000 1.040 636 T CA 2.182 64.231 62.100 -0.085 0.000 1.156 636 T CB -0.325 68.564 68.868 0.036 0.000 0.863 636 T HN 0.547 nan 8.240 nan 0.000 0.430 637 S N 1.039 116.708 115.700 -0.050 0.000 2.356 637 S HA -0.024 4.447 4.470 0.001 0.000 0.223 637 S C 2.174 176.671 174.600 -0.171 0.000 1.032 637 S CA 0.981 59.176 58.200 -0.008 0.000 1.005 637 S CB -0.320 62.926 63.200 0.078 0.000 0.867 637 S HN 0.317 nan 8.310 nan 0.000 0.449 638 M N 0.991 120.394 119.600 -0.329 0.000 2.149 638 M HA -0.067 4.414 4.480 0.001 0.000 0.261 638 M C 2.209 178.328 176.300 -0.302 0.000 1.064 638 M CA 1.103 56.186 55.300 -0.362 0.000 1.102 638 M CB -1.373 30.892 32.600 -0.557 0.000 1.369 638 M HN 0.186 nan 8.290 nan 0.000 0.408 639 V N 0.717 120.445 119.914 -0.310 0.000 2.244 639 V HA -0.259 3.862 4.120 0.001 0.000 0.244 639 V C 2.532 178.403 176.094 -0.372 0.000 1.042 639 V CA 1.507 63.612 62.300 -0.324 0.000 1.006 639 V CB -0.642 30.914 31.823 -0.446 0.000 0.641 639 V HN 0.400 nan 8.190 nan 0.000 0.446 640 L N 0.501 121.448 121.223 -0.460 0.000 2.079 640 L HA -0.138 4.203 4.340 0.001 0.000 0.210 640 L C 2.414 178.758 176.870 -0.877 0.000 1.081 640 L CA 1.725 56.206 54.840 -0.599 0.000 0.752 640 L CB -1.001 40.664 42.059 -0.655 0.000 0.896 640 L HN 0.502 nan 8.230 nan 0.000 0.433 641 G N -1.055 107.221 108.800 -0.872 0.000 2.776 641 G HA2 -0.147 3.813 3.960 0.001 0.000 0.209 641 G HA3 -0.147 3.813 3.960 0.001 0.000 0.209 641 G C 1.608 176.330 174.900 -0.296 0.000 1.145 641 G CA 0.729 45.450 45.100 -0.631 0.000 0.791 641 G HN 0.500 nan 8.290 nan 0.000 0.530 642 S N -0.600 114.950 115.700 -0.250 0.000 2.527 642 S HA 0.310 4.780 4.470 0.001 0.000 0.222 642 S C 1.852 176.399 174.600 -0.089 0.000 0.985 642 S CA 0.903 59.023 58.200 -0.133 0.000 0.921 642 S CB -0.153 62.987 63.200 -0.100 0.000 0.772 642 S HN 1.355 nan 8.310 nan 0.000 0.529 643 G N 1.670 110.407 108.800 -0.105 0.000 2.249 643 G HA2 -0.322 3.639 3.960 0.001 0.000 0.273 643 G HA3 -0.322 3.639 3.960 0.001 0.000 0.273 643 G C 0.794 175.678 174.900 -0.027 0.000 1.036 643 G CA 0.756 45.820 45.100 -0.060 0.000 0.824 643 G HN 1.264 nan 8.290 nan 0.000 0.504 644 S N -1.311 114.386 115.700 -0.005 0.000 2.496 644 S HA 0.361 4.831 4.470 0.001 0.000 0.224 644 S C 2.421 177.025 174.600 0.006 0.000 0.996 644 S CA 1.388 59.597 58.200 0.016 0.000 0.927 644 S CB 0.073 63.313 63.200 0.067 0.000 0.774 644 S HN 2.352 nan 8.310 nan 0.000 0.524 645 G N 0.395 109.204 108.800 0.015 0.000 2.212 645 G HA2 -0.322 3.639 3.960 0.001 0.000 0.266 645 G HA3 -0.322 3.639 3.960 0.001 0.000 0.266 645 G C 0.822 175.705 174.900 -0.029 0.000 0.978 645 G CA 0.463 45.562 45.100 -0.002 0.000 0.632 645 G HN 0.700 nan 8.290 nan 0.000 0.537 646 V N -0.392 119.488 119.914 -0.057 0.000 2.488 646 V HA 0.271 4.391 4.120 0.001 0.000 0.246 646 V C 1.252 177.113 176.094 -0.387 0.000 1.046 646 V CA 1.522 63.647 62.300 -0.293 0.000 1.053 646 V CB -0.402 31.103 31.823 -0.530 0.000 0.679 646 V HN 0.289 nan 8.190 nan 0.000 0.458 647 F N -0.102 119.860 119.950 0.021 0.000 2.421 647 F HA 0.426 4.954 4.527 0.001 0.000 0.337 647 F C 1.121 176.968 175.800 0.078 0.000 1.105 647 F CA -0.601 57.440 58.000 0.068 0.000 1.049 647 F CB 1.445 40.486 39.000 0.068 0.000 1.139 647 F HN -0.268 nan 8.300 nan 0.000 0.479 648 K N 1.345 121.917 120.400 0.287 0.000 2.067 648 K HA 0.088 4.409 4.320 0.001 0.000 0.203 648 K C -0.007 176.737 176.600 0.240 0.000 1.048 648 K CA 1.037 57.456 56.287 0.221 0.000 0.954 648 K CB 0.239 32.874 32.500 0.225 0.000 0.737 648 K HN 0.817 nan 8.250 nan 0.000 0.444 649 c N -2.817 115.968 118.600 0.308 0.000 3.323 649 c HA 0.915 5.486 4.570 0.001 0.000 0.324 649 c C -0.207 174.125 174.090 0.402 0.000 1.428 649 c CA -0.655 55.889 56.329 0.358 0.000 1.368 649 c CB 1.090 43.788 42.510 0.313 0.000 1.731 649 c HN 0.389 nan 8.230 nan 0.000 0.455 650 G N -0.091 108.993 108.800 0.475 0.000 2.667 650 G HA2 0.640 4.601 3.960 0.001 0.000 0.294 650 G HA3 0.640 4.601 3.960 0.001 0.000 0.294 650 G C -1.915 173.129 174.900 0.241 0.000 1.467 650 G CA -0.651 44.671 45.100 0.371 0.000 0.852 650 G HN 0.933 nan 8.290 nan 0.000 0.521 651 I N 0.991 121.678 120.570 0.195 0.000 2.404 651 I HA 0.642 4.813 4.170 0.001 0.000 0.293 651 I C 0.405 176.593 176.117 0.118 0.000 0.992 651 I CA -0.867 60.429 61.300 -0.006 0.000 1.149 651 I CB 2.167 40.167 38.000 -0.000 0.000 1.315 651 I HN 0.640 nan 8.210 nan 0.000 0.446 652 A N 6.415 129.196 122.820 -0.065 0.000 2.318 652 A HA 0.791 5.112 4.320 0.001 0.000 0.317 652 A C -0.816 176.659 177.584 -0.181 0.000 1.159 652 A CA -0.512 51.506 52.037 -0.032 0.000 0.799 652 A CB 1.181 20.228 19.000 0.078 0.000 1.194 652 A HN 0.444 nan 8.150 nan 0.000 0.479 653 V N 1.910 121.663 119.914 -0.268 0.000 2.448 653 V HA 0.592 4.713 4.120 0.001 0.000 0.295 653 V C 0.933 176.622 176.094 -0.675 0.000 1.025 653 V CA 0.271 62.209 62.300 -0.604 0.000 0.859 653 V CB 0.946 32.101 31.823 -1.113 0.000 0.988 653 V HN 2.152 nan 8.190 nan 0.000 0.431 654 A N 5.231 127.651 122.820 -0.668 0.000 2.596 654 A HA -0.106 4.215 4.320 0.001 0.000 0.300 654 A C -1.851 175.585 177.584 -0.246 0.000 1.495 654 A CA 0.541 52.113 52.037 -0.775 0.000 0.769 654 A CB -1.667 17.060 19.000 -0.455 0.000 1.047 654 A HN 0.609 nan 8.150 nan 0.000 0.436 655 P HA 0.445 nan 4.420 nan 0.000 0.279 655 P C 0.160 177.419 177.300 -0.068 0.000 1.252 655 P CA -0.293 62.779 63.100 -0.047 0.000 0.811 655 P CB 1.134 32.827 31.700 -0.011 0.000 1.035 656 V N 1.892 121.673 119.914 -0.223 0.000 2.614 656 V HA 0.059 4.179 4.120 0.001 0.000 0.291 656 V C 1.813 177.749 176.094 -0.265 0.000 1.049 656 V CA 0.874 62.904 62.300 -0.451 0.000 1.038 656 V CB 0.590 31.709 31.823 -1.174 0.000 0.980 656 V HN 0.807 nan 8.190 nan 0.000 0.481 657 S N 4.449 120.034 115.700 -0.192 0.000 2.502 657 S HA 0.225 4.696 4.470 0.001 0.000 0.228 657 S C 0.539 175.033 174.600 -0.176 0.000 1.061 657 S CA -0.316 57.838 58.200 -0.076 0.000 0.935 657 S CB 0.291 63.501 63.200 0.017 0.000 0.809 657 S HN 0.842 nan 8.310 nan 0.000 0.510 658 R N -1.701 118.585 120.500 -0.356 0.000 2.680 658 R HA 0.510 4.851 4.340 0.001 0.000 0.269 658 R C -0.937 175.052 176.300 -0.518 0.000 1.026 658 R CA -0.958 54.850 56.100 -0.486 0.000 0.889 658 R CB -0.034 30.005 30.300 -0.434 0.000 1.241 658 R HN 0.142 nan 8.270 nan 0.000 0.463 659 W N 0.789 122.018 121.300 -0.119 0.000 2.465 659 W HA 0.035 4.696 4.660 0.001 0.000 0.268 659 W C 1.049 177.704 176.519 0.227 0.000 1.242 659 W CA 0.623 57.990 57.345 0.036 0.000 1.248 659 W CB 0.222 29.640 29.460 -0.070 0.000 1.118 659 W HN 0.744 nan 8.180 nan 0.000 0.587 660 E N -0.861 119.508 120.200 0.280 0.000 2.333 660 E HA -0.204 4.146 4.350 0.001 0.000 0.198 660 E C 1.351 178.070 176.600 0.199 0.000 1.007 660 E CA 1.036 57.513 56.400 0.127 0.000 0.845 660 E CB -0.337 29.319 29.700 -0.074 0.000 0.766 660 E HN 0.356 nan 8.360 nan 0.000 0.507 661 Y N -1.304 119.085 120.300 0.149 0.000 2.420 661 Y HA 0.040 4.591 4.550 0.001 0.000 0.292 661 Y C 0.869 176.868 175.900 0.165 0.000 1.119 661 Y CA -0.251 57.908 58.100 0.099 0.000 1.229 661 Y CB -0.530 37.932 38.460 0.003 0.000 1.026 661 Y HN 0.036 nan 8.280 nan 0.000 0.554 662 Y N 2.163 122.616 120.300 0.256 0.000 2.295 662 Y HA 0.236 4.787 4.550 0.001 0.000 0.331 662 Y C 0.365 176.486 175.900 0.369 0.000 1.311 662 Y CA -1.903 56.360 58.100 0.270 0.000 1.430 662 Y CB 0.216 38.878 38.460 0.336 0.000 1.339 662 Y HN 0.199 nan 8.280 nan 0.000 0.552 663 D N -0.400 119.691 120.400 -0.515 0.000 2.382 663 D HA 0.071 4.712 4.640 0.001 0.000 0.240 663 D C 0.921 177.181 176.300 -0.067 0.000 1.146 663 D CA 0.380 54.164 54.000 -0.359 0.000 0.897 663 D CB 0.854 41.231 40.800 -0.705 0.000 1.197 663 D HN 0.487 nan 8.370 nan 0.000 0.432 664 S N 1.623 117.307 115.700 -0.026 0.000 2.353 664 S HA -0.279 4.192 4.470 0.001 0.000 0.222 664 S C 2.011 176.632 174.600 0.035 0.000 1.035 664 S CA 1.113 59.348 58.200 0.057 0.000 1.025 664 S CB -1.014 62.229 63.200 0.073 0.000 0.902 664 S HN 0.590 nan 8.310 nan 0.000 0.440 665 V N 0.242 120.123 119.914 -0.054 0.000 2.453 665 V HA -0.062 4.059 4.120 0.001 0.000 0.247 665 V C 2.015 178.011 176.094 -0.163 0.000 1.048 665 V CA 1.643 63.833 62.300 -0.182 0.000 1.049 665 V CB -0.830 30.663 31.823 -0.551 0.000 0.672 665 V HN 0.572 nan 8.190 nan 0.000 0.457 666 Y N 1.694 121.915 120.300 -0.133 0.000 2.109 666 Y HA -0.157 4.394 4.550 0.001 0.000 0.285 666 Y C 2.683 178.522 175.900 -0.102 0.000 1.131 666 Y CA 2.799 60.889 58.100 -0.017 0.000 1.121 666 Y CB -0.708 37.955 38.460 0.338 0.000 0.987 666 Y HN 0.324 nan 8.280 nan 0.000 0.495 667 T N 0.396 115.132 114.554 0.304 0.000 2.607 667 T HA -0.257 4.093 4.350 0.001 0.000 0.267 667 T C 1.574 176.203 174.700 -0.118 0.000 1.049 667 T CA 2.068 64.263 62.100 0.158 0.000 1.162 667 T CB -0.496 68.616 68.868 0.406 0.000 0.863 667 T HN 0.430 nan 8.240 nan 0.000 0.424 668 E N 0.437 120.615 120.200 -0.037 0.000 2.209 668 E HA -0.123 4.227 4.350 0.001 0.000 0.196 668 E C 2.378 178.845 176.600 -0.222 0.000 0.993 668 E CA 0.486 56.864 56.400 -0.037 0.000 0.819 668 E CB -0.140 29.587 29.700 0.045 0.000 0.745 668 E HN 0.329 nan 8.360 nan 0.000 0.477 669 R N -0.026 120.174 120.500 -0.499 0.000 2.091 669 R HA -0.191 4.149 4.340 0.001 0.000 0.238 669 R C 1.308 177.080 176.300 -0.879 0.000 1.136 669 R CA 1.660 57.276 56.100 -0.806 0.000 0.959 669 R CB 0.002 29.474 30.300 -1.379 0.000 0.856 669 R HN 0.263 nan 8.270 nan 0.000 0.437 670 Y N -2.423 117.567 120.300 -0.516 0.000 2.507 670 Y HA 0.201 4.752 4.550 0.001 0.000 0.263 670 Y C 1.663 177.366 175.900 -0.328 0.000 1.093 670 Y CA 0.012 57.801 58.100 -0.519 0.000 1.285 670 Y CB 0.385 38.420 38.460 -0.708 0.000 1.115 670 Y HN -0.043 nan 8.280 nan 0.000 0.533 671 M N -0.382 119.087 119.600 -0.218 0.000 2.308 671 M HA 0.365 4.845 4.480 0.001 0.000 0.269 671 M C 1.124 177.406 176.300 -0.029 0.000 1.040 671 M CA 0.637 55.794 55.300 -0.238 0.000 1.024 671 M CB -0.417 31.862 32.600 -0.534 0.000 1.465 671 M HN 0.345 nan 8.290 nan 0.000 0.517 672 G N 1.758 110.577 108.800 0.032 0.000 2.601 672 G HA2 -0.236 3.724 3.960 0.001 0.000 0.261 672 G HA3 -0.236 3.724 3.960 0.001 0.000 0.261 672 G C -0.694 174.349 174.900 0.239 0.000 1.289 672 G CA -0.640 44.529 45.100 0.114 0.000 0.920 672 G HN 0.293 nan 8.290 nan 0.000 0.571 673 L N 2.241 123.581 121.223 0.195 0.000 2.343 673 L HA 0.552 4.892 4.340 0.001 0.000 0.275 673 L C -1.389 175.511 176.870 0.051 0.000 1.056 673 L CA -1.596 53.313 54.840 0.116 0.000 0.804 673 L CB 1.703 43.785 42.059 0.038 0.000 1.203 673 L HN 0.421 nan 8.230 nan 0.000 0.440 674 P HA 0.095 nan 4.420 nan 0.000 0.226 674 P C -0.611 176.559 177.300 -0.216 0.000 1.758 674 P CA -0.175 62.539 63.100 -0.643 0.000 0.896 674 P CB -0.485 30.543 31.700 -1.120 0.000 1.784 675 T N -3.737 110.777 114.554 -0.068 0.000 2.940 675 T HA 0.484 4.835 4.350 0.001 0.000 0.288 675 T C -2.182 172.526 174.700 0.014 0.000 1.033 675 T CA -2.472 59.612 62.100 -0.027 0.000 1.033 675 T CB 1.843 70.701 68.868 -0.016 0.000 1.079 675 T HN -0.295 nan 8.240 nan 0.000 0.496 676 P HA -0.091 nan 4.420 nan 0.000 0.218 676 P C 1.278 178.595 177.300 0.029 0.000 1.149 676 P CA 0.889 64.004 63.100 0.025 0.000 0.817 676 P CB 0.077 31.787 31.700 0.016 0.000 0.785 677 E N -1.355 118.858 120.200 0.022 0.000 2.502 677 E HA -0.031 4.319 4.350 0.001 0.000 0.194 677 E C 0.599 177.217 176.600 0.030 0.000 1.062 677 E CA 0.608 57.021 56.400 0.022 0.000 0.867 677 E CB -0.241 29.466 29.700 0.012 0.000 0.888 677 E HN 0.250 nan 8.360 nan 0.000 0.510 678 D N 0.818 121.245 120.400 0.045 0.000 3.100 678 D HA 0.042 4.682 4.640 0.001 0.000 0.197 678 D C 0.245 176.602 176.300 0.095 0.000 1.362 678 D CA -0.102 53.936 54.000 0.064 0.000 1.477 678 D CB -0.066 40.775 40.800 0.068 0.000 1.048 678 D HN 0.024 nan 8.370 nan 0.000 0.186 679 N N -0.015 118.778 118.700 0.155 0.000 2.240 679 N HA 0.095 4.836 4.740 0.001 0.000 0.240 679 N C 1.049 176.758 175.510 0.332 0.000 1.277 679 N CA -0.083 53.098 53.050 0.217 0.000 0.873 679 N CB 0.283 38.901 38.487 0.220 0.000 1.222 679 N HN 0.110 nan 8.380 nan 0.000 0.507 680 L N 0.827 122.189 121.223 0.231 0.000 2.051 680 L HA -0.162 4.179 4.340 0.001 0.000 0.214 680 L C 1.337 178.333 176.870 0.210 0.000 1.076 680 L CA 1.959 56.918 54.840 0.198 0.000 0.758 680 L CB -0.606 41.494 42.059 0.069 0.000 0.890 680 L HN 0.130 nan 8.230 nan 0.000 0.433 681 D N -1.497 118.999 120.400 0.159 0.000 2.149 681 D HA -0.276 4.365 4.640 0.001 0.000 0.194 681 D C 2.130 178.533 176.300 0.171 0.000 1.001 681 D CA 1.821 55.903 54.000 0.137 0.000 0.849 681 D CB -0.075 40.793 40.800 0.113 0.000 0.939 681 D HN 0.589 nan 8.370 nan 0.000 0.449 682 H N -1.452 117.675 119.070 0.095 0.000 2.448 682 H HA 0.021 4.577 4.556 0.001 0.000 0.292 682 H C 1.585 176.955 175.328 0.071 0.000 1.035 682 H CA 0.929 57.006 56.048 0.048 0.000 1.349 682 H CB -0.220 29.531 29.762 -0.018 0.000 1.425 682 H HN 0.164 nan 8.280 nan 0.000 0.539 683 Y N 0.494 120.814 120.300 0.034 0.000 2.151 683 Y HA -0.221 4.330 4.550 0.001 0.000 0.284 683 Y C 2.463 178.336 175.900 -0.045 0.000 1.166 683 Y CA 1.597 59.708 58.100 0.018 0.000 1.163 683 Y CB 0.072 38.559 38.460 0.045 0.000 0.974 683 Y HN 0.136 nan 8.280 nan 0.000 0.511 684 R N -0.550 120.025 120.500 0.125 0.000 2.115 684 R HA -0.113 4.227 4.340 0.001 0.000 0.226 684 R C 1.425 177.716 176.300 -0.014 0.000 1.100 684 R CA 1.265 57.391 56.100 0.043 0.000 0.980 684 R CB -0.771 29.558 30.300 0.049 0.000 0.875 684 R HN 0.322 nan 8.270 nan 0.000 0.445 685 N N 0.500 119.166 118.700 -0.058 0.000 2.398 685 N HA -0.049 4.692 4.740 0.001 0.000 0.188 685 N C -0.267 175.145 175.510 -0.163 0.000 1.122 685 N CA 0.162 53.167 53.050 -0.075 0.000 0.866 685 N CB 0.444 38.935 38.487 0.007 0.000 0.970 685 N HN 0.073 nan 8.380 nan 0.000 0.462 686 S N -1.408 114.169 115.700 -0.204 0.000 2.740 686 S HA 0.154 4.624 4.470 0.001 0.000 0.244 686 S C -0.072 174.550 174.600 0.036 0.000 1.101 686 S CA -0.789 57.339 58.200 -0.120 0.000 1.123 686 S CB -0.482 62.565 63.200 -0.254 0.000 1.012 686 S HN 0.128 nan 8.310 nan 0.000 0.491 687 T N -1.529 113.013 114.554 -0.020 0.000 2.867 687 T HA 0.550 4.901 4.350 0.001 0.000 0.282 687 T C 1.235 175.915 174.700 -0.033 0.000 1.000 687 T CA -0.151 61.930 62.100 -0.032 0.000 1.042 687 T CB 1.535 70.361 68.868 -0.069 0.000 0.973 687 T HN 0.557 nan 8.240 nan 0.000 0.465 688 V N 3.240 123.132 119.914 -0.038 0.000 2.548 688 V HA -0.059 4.062 4.120 0.001 0.000 0.249 688 V C 2.211 178.270 176.094 -0.059 0.000 1.055 688 V CA 1.583 63.849 62.300 -0.057 0.000 1.065 688 V CB -1.107 30.674 31.823 -0.070 0.000 0.681 688 V HN 0.899 nan 8.190 nan 0.000 0.462 689 M N 2.300 121.852 119.600 -0.079 0.000 2.089 689 M HA -0.196 4.285 4.480 0.001 0.000 0.257 689 M C 2.405 178.670 176.300 -0.057 0.000 1.071 689 M CA 2.734 57.982 55.300 -0.088 0.000 1.096 689 M CB -1.022 31.544 32.600 -0.058 0.000 1.330 689 M HN 0.727 nan 8.290 nan 0.000 0.403 690 S N -0.956 114.722 115.700 -0.037 0.000 2.547 690 S HA -0.057 4.414 4.470 0.001 0.000 0.235 690 S C 1.794 176.391 174.600 -0.005 0.000 0.980 690 S CA 0.756 58.943 58.200 -0.021 0.000 0.941 690 S CB -0.438 62.750 63.200 -0.020 0.000 0.763 690 S HN 0.494 nan 8.310 nan 0.000 0.532 691 R N 0.297 120.804 120.500 0.011 0.000 2.362 691 R HA 0.447 4.787 4.340 0.001 0.000 0.227 691 R C 2.310 178.696 176.300 0.144 0.000 0.905 691 R CA 0.482 56.612 56.100 0.051 0.000 1.067 691 R CB -0.318 30.004 30.300 0.037 0.000 1.078 691 R HN 0.449 nan 8.270 nan 0.000 0.516 692 A N 1.497 124.363 122.820 0.077 0.000 1.954 692 A HA -0.338 3.983 4.320 0.001 0.000 0.222 692 A C 1.985 179.655 177.584 0.143 0.000 1.199 692 A CA 2.181 54.236 52.037 0.031 0.000 0.657 692 A CB -0.403 18.529 19.000 -0.113 0.000 0.823 692 A HN 0.317 nan 8.150 nan 0.000 0.463 693 E N 0.509 120.761 120.200 0.087 0.000 2.130 693 E HA -0.196 4.155 4.350 0.001 0.000 0.196 693 E C 1.606 178.261 176.600 0.092 0.000 0.998 693 E CA 1.737 58.182 56.400 0.075 0.000 0.806 693 E CB -0.251 29.474 29.700 0.041 0.000 0.738 693 E HN 0.659 nan 8.360 nan 0.000 0.459 694 N N -0.456 118.294 118.700 0.083 0.000 2.459 694 N HA -0.107 4.633 4.740 0.001 0.000 0.181 694 N C 1.010 176.501 175.510 -0.032 0.000 1.046 694 N CA 0.551 53.601 53.050 -0.001 0.000 0.904 694 N CB -0.294 38.142 38.487 -0.086 0.000 0.964 694 N HN 0.229 nan 8.380 nan 0.000 0.444 695 F N 1.491 121.396 119.950 -0.076 0.000 2.494 695 F HA -0.025 4.502 4.527 0.001 0.000 0.298 695 F C 2.000 177.806 175.800 0.010 0.000 1.106 695 F CA 0.696 58.651 58.000 -0.076 0.000 1.452 695 F CB -0.073 38.835 39.000 -0.154 0.000 1.085 695 F HN -0.058 nan 8.300 nan 0.000 0.569 696 K N -0.014 120.483 120.400 0.162 0.000 2.280 696 K HA -0.180 4.141 4.320 0.001 0.000 0.202 696 K C 1.512 178.168 176.600 0.093 0.000 1.047 696 K CA 1.113 57.474 56.287 0.124 0.000 0.942 696 K CB -0.130 32.424 32.500 0.089 0.000 0.739 696 K HN 0.410 nan 8.250 nan 0.000 0.457 697 Q N -0.061 119.775 119.800 0.059 0.000 2.319 697 Q HA 0.063 4.404 4.340 0.001 0.000 0.202 697 Q C -0.210 175.826 176.000 0.061 0.000 0.896 697 Q CA -0.061 55.768 55.803 0.043 0.000 0.942 697 Q CB 0.855 29.599 28.738 0.011 0.000 1.083 697 Q HN 0.102 nan 8.270 nan 0.000 0.510 698 V N -3.001 116.967 119.914 0.089 0.000 3.087 698 V HA 0.457 4.578 4.120 0.001 0.000 0.306 698 V C -1.493 174.741 176.094 0.235 0.000 1.187 698 V CA -1.286 61.090 62.300 0.128 0.000 0.999 698 V CB 2.313 34.161 31.823 0.043 0.000 1.049 698 V HN 0.017 nan 8.190 nan 0.000 0.431 699 E N 2.523 122.893 120.200 0.282 0.000 2.115 699 E HA 0.448 4.799 4.350 0.001 0.000 0.282 699 E C -1.759 175.238 176.600 0.662 0.000 0.987 699 E CA -0.414 56.224 56.400 0.397 0.000 0.797 699 E CB 1.720 31.556 29.700 0.226 0.000 1.086 699 E HN 0.690 nan 8.360 nan 0.000 0.397 700 Y N 3.285 123.879 120.300 0.490 0.000 2.352 700 Y HA 0.434 4.985 4.550 0.001 0.000 0.339 700 Y C -1.399 174.630 175.900 0.215 0.000 0.992 700 Y CA -1.606 56.721 58.100 0.378 0.000 1.100 700 Y CB 1.048 39.760 38.460 0.420 0.000 1.192 700 Y HN 0.428 nan 8.280 nan 0.000 0.458 701 L N 7.666 128.603 121.223 -0.477 0.000 2.325 701 L HA 0.590 4.930 4.340 0.001 0.000 0.281 701 L C -2.169 174.261 176.870 -0.734 0.000 1.004 701 L CA -0.794 53.634 54.840 -0.687 0.000 0.823 701 L CB 1.312 42.617 42.059 -1.258 0.000 1.236 701 L HN 0.616 nan 8.230 nan 0.000 0.415 702 L N 6.755 127.660 121.223 -0.529 0.000 2.305 702 L HA 0.685 5.026 4.340 0.001 0.000 0.284 702 L C -1.101 175.653 176.870 -0.194 0.000 1.013 702 L CA -0.016 54.545 54.840 -0.464 0.000 0.819 702 L CB 1.062 42.897 42.059 -0.373 0.000 1.227 702 L HN 0.597 nan 8.230 nan 0.000 0.417 703 I N 4.470 124.933 120.570 -0.177 0.000 2.608 703 I HA 0.493 4.664 4.170 0.001 0.000 0.295 703 I C -1.128 174.984 176.117 -0.008 0.000 1.049 703 I CA -0.746 60.513 61.300 -0.069 0.000 1.063 703 I CB 2.051 39.985 38.000 -0.110 0.000 1.248 703 I HN 0.672 nan 8.210 nan 0.000 0.424 704 H N 2.167 121.298 119.070 0.102 0.000 3.140 704 H HA 0.451 5.008 4.556 0.001 0.000 0.336 704 H C -0.541 175.068 175.328 0.467 0.000 1.142 704 H CA -0.574 55.588 56.048 0.189 0.000 1.308 704 H CB 1.809 31.581 29.762 0.017 0.000 1.970 704 H HN 0.768 nan 8.280 nan 0.000 0.521 705 G N 0.995 110.167 108.800 0.620 0.000 2.395 705 G HA2 0.261 4.221 3.960 0.001 0.000 0.283 705 G HA3 0.261 4.221 3.960 0.001 0.000 0.283 705 G C 1.155 176.361 174.900 0.511 0.000 1.178 705 G CA 0.102 45.522 45.100 0.533 0.000 0.837 705 G HN 0.732 nan 8.290 nan 0.000 0.518 706 T N -0.873 113.823 114.554 0.237 0.000 2.995 706 T HA 0.082 4.433 4.350 0.001 0.000 0.269 706 T C 1.666 176.366 174.700 0.000 0.000 1.091 706 T CA 1.349 63.398 62.100 -0.085 0.000 1.128 706 T CB 0.113 68.876 68.868 -0.175 0.000 0.891 706 T HN 0.717 nan 8.240 nan 0.000 0.492 707 A N 1.159 124.046 122.820 0.113 0.000 2.833 707 A HA 0.325 4.646 4.320 0.001 0.000 0.293 707 A C 0.349 177.932 177.584 -0.003 0.000 1.338 707 A CA -0.504 51.577 52.037 0.074 0.000 0.959 707 A CB -0.358 18.947 19.000 0.510 0.000 1.094 707 A HN 0.387 nan 8.150 nan 0.000 0.569 708 D N 1.518 121.934 120.400 0.027 0.000 2.359 708 D HA -0.003 4.638 4.640 0.001 0.000 0.250 708 D C 0.490 176.783 176.300 -0.012 0.000 1.264 708 D CA 0.034 54.138 54.000 0.173 0.000 0.911 708 D CB 0.606 41.653 40.800 0.412 0.000 1.056 708 D HN 0.577 nan 8.370 nan 0.000 0.499 709 D N 2.508 122.929 120.400 0.035 0.000 2.277 709 D HA -0.165 4.476 4.640 0.001 0.000 0.208 709 D C 1.012 177.288 176.300 -0.040 0.000 0.962 709 D CA 0.066 54.025 54.000 -0.069 0.000 0.865 709 D CB 0.401 41.122 40.800 -0.132 0.000 0.939 709 D HN 0.250 nan 8.370 nan 0.000 0.510 710 N N 1.082 119.860 118.700 0.130 0.000 2.255 710 N HA -0.093 4.648 4.740 0.001 0.000 0.192 710 N C 0.390 175.872 175.510 -0.046 0.000 1.049 710 N CA 0.844 54.029 53.050 0.225 0.000 0.886 710 N CB 0.396 39.027 38.487 0.240 0.000 1.064 710 N HN 0.105 nan 8.380 nan 0.000 0.457 711 V N 2.519 122.343 119.914 -0.151 0.000 2.333 711 V HA 0.349 4.469 4.120 0.001 0.000 0.274 711 V C -0.794 175.324 176.094 0.040 0.000 1.028 711 V CA -0.657 61.571 62.300 -0.121 0.000 0.851 711 V CB -0.193 31.541 31.823 -0.148 0.000 1.000 711 V HN 0.288 nan 8.190 nan 0.000 0.456 712 H N 4.555 123.615 119.070 -0.016 0.000 2.790 712 H HA 0.138 4.694 4.556 0.001 0.000 0.358 712 H C 0.520 175.730 175.328 -0.197 0.000 1.103 712 H CA 0.583 56.553 56.048 -0.130 0.000 1.426 712 H CB 0.803 30.388 29.762 -0.295 0.000 1.424 712 H HN 0.770 nan 8.280 nan 0.000 0.599 713 F N 1.732 121.496 119.950 -0.310 0.000 2.184 713 F HA -0.323 4.204 4.527 0.001 0.000 0.301 713 F C 2.614 178.117 175.800 -0.496 0.000 1.076 713 F CA 1.825 59.405 58.000 -0.699 0.000 1.295 713 F CB -0.178 38.624 39.000 -0.330 0.000 1.026 713 F HN 0.667 nan 8.300 nan 0.000 0.494 714 Q N 0.177 119.847 119.800 -0.216 0.000 2.142 714 Q HA -0.337 4.004 4.340 0.001 0.000 0.213 714 Q C 2.106 177.845 176.000 -0.434 0.000 1.004 714 Q CA 2.495 58.107 55.803 -0.319 0.000 0.883 714 Q CB -0.401 28.116 28.738 -0.367 0.000 0.939 714 Q HN 0.588 nan 8.270 nan 0.000 0.413 715 Q N -0.602 118.976 119.800 -0.369 0.000 2.135 715 Q HA -0.112 4.228 4.340 0.001 0.000 0.204 715 Q C 2.169 178.037 176.000 -0.221 0.000 0.981 715 Q CA 1.594 57.284 55.803 -0.188 0.000 0.856 715 Q CB -0.005 28.716 28.738 -0.028 0.000 0.902 715 Q HN 0.314 nan 8.270 nan 0.000 0.425 716 S N 0.345 115.779 115.700 -0.443 0.000 2.421 716 S HA 0.053 4.524 4.470 0.001 0.000 0.224 716 S C 2.032 176.351 174.600 -0.468 0.000 1.035 716 S CA 0.569 58.507 58.200 -0.436 0.000 0.953 716 S CB -0.001 62.904 63.200 -0.492 0.000 0.810 716 S HN 0.459 nan 8.310 nan 0.000 0.497 717 A N 1.756 124.216 122.820 -0.600 0.000 1.917 717 A HA -0.188 4.133 4.320 0.001 0.000 0.219 717 A C 2.110 179.586 177.584 -0.179 0.000 1.182 717 A CA 1.385 53.238 52.037 -0.308 0.000 0.633 717 A CB -0.551 18.343 19.000 -0.176 0.000 0.819 717 A HN 0.385 nan 8.150 nan 0.000 0.448 718 Q N -0.520 119.172 119.800 -0.180 0.000 2.119 718 Q HA -0.054 4.287 4.340 0.001 0.000 0.201 718 Q C 2.163 178.098 176.000 -0.107 0.000 0.972 718 Q CA 1.151 56.901 55.803 -0.089 0.000 0.847 718 Q CB -0.405 28.345 28.738 0.020 0.000 0.903 718 Q HN 0.789 nan 8.270 nan 0.000 0.433 719 I N 1.217 121.694 120.570 -0.155 0.000 2.142 719 I HA -0.306 3.864 4.170 0.001 0.000 0.240 719 I C 2.560 178.491 176.117 -0.310 0.000 1.078 719 I CA 1.554 62.718 61.300 -0.225 0.000 1.343 719 I CB -0.430 37.444 38.000 -0.209 0.000 1.046 719 I HN 0.201 nan 8.210 nan 0.000 0.405 720 S N 0.796 116.340 115.700 -0.259 0.000 2.359 720 S HA -0.292 4.178 4.470 0.001 0.000 0.224 720 S C 2.007 176.554 174.600 -0.088 0.000 1.035 720 S CA 1.517 59.588 58.200 -0.214 0.000 1.018 720 S CB -0.521 62.744 63.200 0.108 0.000 0.876 720 S HN 0.347 nan 8.310 nan 0.000 0.448 721 K N 1.913 122.279 120.400 -0.058 0.000 2.044 721 K HA -0.090 4.231 4.320 0.001 0.000 0.210 721 K C 2.346 178.920 176.600 -0.044 0.000 1.049 721 K CA 1.412 57.686 56.287 -0.021 0.000 0.927 721 K CB -0.803 31.683 32.500 -0.024 0.000 0.713 721 K HN 0.444 nan 8.250 nan 0.000 0.443 722 A N 0.950 123.711 122.820 -0.098 0.000 1.908 722 A HA -0.158 4.163 4.320 0.001 0.000 0.218 722 A C 2.136 179.642 177.584 -0.129 0.000 1.181 722 A CA 1.672 53.643 52.037 -0.109 0.000 0.627 722 A CB -0.707 18.210 19.000 -0.138 0.000 0.818 722 A HN 0.345 nan 8.150 nan 0.000 0.445 723 L N -0.729 120.354 121.223 -0.232 0.000 2.056 723 L HA -0.143 4.198 4.340 0.001 0.000 0.207 723 L C 2.503 179.391 176.870 0.030 0.000 1.078 723 L CA 0.929 55.641 54.840 -0.215 0.000 0.749 723 L CB -0.703 41.009 42.059 -0.578 0.000 0.901 723 L HN 0.226 nan 8.230 nan 0.000 0.433 724 V N 0.027 120.003 119.914 0.103 0.000 2.287 724 V HA -0.317 3.803 4.120 0.001 0.000 0.248 724 V C 1.986 178.120 176.094 0.065 0.000 1.053 724 V CA 2.033 64.415 62.300 0.136 0.000 1.027 724 V CB -0.540 31.363 31.823 0.132 0.000 0.646 724 V HN 0.452 nan 8.190 nan 0.000 0.447 725 D N -0.015 120.402 120.400 0.027 0.000 2.309 725 D HA -0.081 4.560 4.640 0.001 0.000 0.212 725 D C 1.516 177.827 176.300 0.019 0.000 0.968 725 D CA 1.524 55.534 54.000 0.017 0.000 0.882 725 D CB 0.062 40.863 40.800 0.001 0.000 0.918 725 D HN 0.589 nan 8.370 nan 0.000 0.503 726 V N -4.463 115.464 119.914 0.022 0.000 3.253 726 V HA 0.522 4.642 4.120 0.001 0.000 0.320 726 V C 0.999 177.123 176.094 0.049 0.000 1.442 726 V CA 0.080 62.397 62.300 0.029 0.000 1.097 726 V CB 0.106 31.941 31.823 0.020 0.000 1.008 726 V HN 0.063 nan 8.190 nan 0.000 0.463 727 G N 0.726 109.564 108.800 0.064 0.000 2.333 727 G HA2 -0.125 3.836 3.960 0.001 0.000 0.296 727 G HA3 -0.125 3.836 3.960 0.001 0.000 0.296 727 G C -0.191 174.771 174.900 0.105 0.000 1.059 727 G CA 0.562 45.709 45.100 0.079 0.000 1.050 727 G HN 1.678 nan 8.290 nan 0.000 0.508 728 V N -0.183 119.819 119.914 0.147 0.000 2.448 728 V HA 0.673 4.793 4.120 0.001 0.000 0.295 728 V C 0.010 176.292 176.094 0.313 0.000 1.025 728 V CA -0.889 61.529 62.300 0.196 0.000 0.859 728 V CB 1.806 33.741 31.823 0.187 0.000 0.988 728 V HN 0.361 nan 8.190 nan 0.000 0.431 729 D N 5.821 126.366 120.400 0.243 0.000 2.389 729 D HA 0.476 5.116 4.640 0.001 0.000 0.247 729 D C -0.489 176.028 176.300 0.362 0.000 1.128 729 D CA 0.513 54.635 54.000 0.203 0.000 0.884 729 D CB 0.568 41.429 40.800 0.101 0.000 1.194 729 D HN 0.568 nan 8.370 nan 0.000 0.441 730 F N -0.264 119.775 119.950 0.148 0.000 2.685 730 F HA 0.509 5.037 4.527 0.001 0.000 0.315 730 F C -0.853 175.032 175.800 0.142 0.000 1.126 730 F CA -1.189 56.934 58.000 0.205 0.000 0.950 730 F CB 1.017 40.174 39.000 0.261 0.000 1.360 730 F HN 0.097 nan 8.300 nan 0.000 0.469 731 Q N 1.204 121.120 119.800 0.194 0.000 2.274 731 Q HA 0.789 5.130 4.340 0.001 0.000 0.260 731 Q C -1.049 174.976 176.000 0.043 0.000 0.974 731 Q CA -1.214 54.615 55.803 0.043 0.000 0.876 731 Q CB 2.242 31.085 28.738 0.176 0.000 1.297 731 Q HN 0.920 nan 8.270 nan 0.000 0.446 732 A N 2.229 125.040 122.820 -0.014 0.000 2.454 732 A HA 0.878 5.198 4.320 0.001 0.000 0.302 732 A C -1.358 176.199 177.584 -0.044 0.000 1.079 732 A CA -0.596 51.465 52.037 0.039 0.000 0.731 732 A CB 1.779 20.854 19.000 0.125 0.000 1.299 732 A HN 0.652 nan 8.150 nan 0.000 0.413 733 M N 1.558 121.117 119.600 -0.069 0.000 2.274 733 M HA 0.551 5.032 4.480 0.001 0.000 0.272 733 M C -1.903 174.316 176.300 -0.136 0.000 1.053 733 M CA -0.466 54.648 55.300 -0.311 0.000 0.978 733 M CB 1.093 33.415 32.600 -0.464 0.000 1.836 733 M HN 0.909 nan 8.290 nan 0.000 0.484 734 W N 4.084 125.279 121.300 -0.176 0.000 2.509 734 W HA 0.790 5.450 4.660 0.001 0.000 0.351 734 W C -1.952 174.341 176.519 -0.376 0.000 1.107 734 W CA -0.788 56.539 57.345 -0.029 0.000 1.264 734 W CB 0.395 29.869 29.460 0.023 0.000 1.312 734 W HN 0.602 nan 8.180 nan 0.000 0.608 735 Y N 1.896 122.355 120.300 0.265 0.000 2.376 735 Y HA 0.286 4.837 4.550 0.001 0.000 0.326 735 Y C 0.425 176.455 175.900 0.216 0.000 0.970 735 Y CA -1.209 56.963 58.100 0.120 0.000 1.248 735 Y CB 1.373 39.875 38.460 0.071 0.000 1.117 735 Y HN 0.422 nan 8.280 nan 0.000 0.476 736 T N 4.799 119.545 114.554 0.321 0.000 2.778 736 T HA -0.045 4.306 4.350 0.001 0.000 0.282 736 T C 0.177 174.944 174.700 0.111 0.000 0.983 736 T CA 0.916 63.126 62.100 0.184 0.000 1.193 736 T CB -0.219 68.700 68.868 0.084 0.000 0.938 736 T HN 0.742 nan 8.240 nan 0.000 0.523 737 D N 0.425 120.855 120.400 0.049 0.000 2.911 737 D HA -0.121 4.520 4.640 0.001 0.000 0.199 737 D C 0.245 176.649 176.300 0.173 0.000 1.041 737 D CA 1.077 55.011 54.000 -0.112 0.000 1.013 737 D CB -0.443 40.095 40.800 -0.437 0.000 1.093 737 D HN 0.577 nan 8.370 nan 0.000 0.431 738 E N 1.383 121.722 120.200 0.233 0.000 2.354 738 E HA 0.286 4.636 4.350 0.001 0.000 0.269 738 E C 0.743 177.535 176.600 0.320 0.000 1.036 738 E CA -0.026 56.541 56.400 0.277 0.000 0.876 738 E CB 0.918 30.776 29.700 0.263 0.000 1.009 738 E HN 0.415 nan 8.360 nan 0.000 0.416 739 D N -0.072 120.530 120.400 0.338 0.000 2.496 739 D HA -0.021 4.620 4.640 0.001 0.000 0.283 739 D C 1.069 177.609 176.300 0.401 0.000 1.214 739 D CA -0.203 54.020 54.000 0.372 0.000 1.089 739 D CB -0.084 40.962 40.800 0.410 0.000 1.141 739 D HN 0.402 nan 8.370 nan 0.000 0.580 740 H N -1.536 117.721 119.070 0.313 0.000 2.489 740 H HA 0.058 4.615 4.556 0.001 0.000 0.295 740 H C 1.918 177.513 175.328 0.445 0.000 1.082 740 H CA 2.061 58.316 56.048 0.344 0.000 1.295 740 H CB -0.440 29.510 29.762 0.312 0.000 1.380 740 H HN 0.497 nan 8.280 nan 0.000 0.548 741 G N -0.033 108.940 108.800 0.288 0.000 2.494 741 G HA2 -0.019 3.942 3.960 0.001 0.000 0.216 741 G HA3 -0.019 3.942 3.960 0.001 0.000 0.216 741 G C 0.641 175.716 174.900 0.291 0.000 1.140 741 G CA 0.364 45.548 45.100 0.140 0.000 0.801 741 G HN 0.532 nan 8.290 nan 0.000 0.536 742 I N 0.064 120.834 120.570 0.333 0.000 6.822 742 I HA -0.310 3.861 4.170 0.001 0.000 0.126 742 I C 1.519 177.761 176.117 0.209 0.000 1.756 742 I CA 0.095 61.547 61.300 0.253 0.000 2.250 742 I CB -1.530 36.607 38.000 0.229 0.000 3.407 742 I HN 0.257 nan 8.210 nan 0.000 0.229 743 A N 0.681 123.596 122.820 0.159 0.000 2.220 743 A HA 0.231 4.551 4.320 0.001 0.000 0.211 743 A C 1.240 178.875 177.584 0.085 0.000 1.176 743 A CA 0.317 52.410 52.037 0.093 0.000 0.834 743 A CB 0.196 19.231 19.000 0.058 0.000 0.868 743 A HN 0.473 nan 8.150 nan 0.000 0.488 744 S N 0.495 116.262 115.700 0.111 0.000 2.599 744 S HA 0.022 4.493 4.470 0.001 0.000 0.303 744 S C 1.536 176.196 174.600 0.100 0.000 1.267 744 S CA 0.477 58.737 58.200 0.100 0.000 1.055 744 S CB 0.865 64.126 63.200 0.103 0.000 0.790 744 S HN 0.575 nan 8.310 nan 0.000 0.500 745 S N 2.798 118.543 115.700 0.077 0.000 2.377 745 S HA -0.202 4.269 4.470 0.001 0.000 0.224 745 S C 2.427 177.091 174.600 0.106 0.000 1.042 745 S CA 2.294 60.542 58.200 0.081 0.000 1.086 745 S CB -0.892 62.336 63.200 0.047 0.000 0.995 745 S HN 0.999 nan 8.310 nan 0.000 0.428 746 T N 0.382 114.984 114.554 0.080 0.000 2.720 746 T HA -0.051 4.299 4.350 0.001 0.000 0.268 746 T C 1.900 176.653 174.700 0.087 0.000 1.037 746 T CA 1.728 63.873 62.100 0.076 0.000 1.144 746 T CB -1.036 67.866 68.868 0.057 0.000 0.864 746 T HN 0.476 nan 8.240 nan 0.000 0.444 747 A N 1.609 124.467 122.820 0.064 0.000 1.902 747 A HA -0.125 4.195 4.320 0.001 0.000 0.217 747 A C 2.236 179.800 177.584 -0.034 0.000 1.181 747 A CA 2.175 54.193 52.037 -0.031 0.000 0.623 747 A CB -1.333 17.627 19.000 -0.066 0.000 0.818 747 A HN 0.796 nan 8.150 nan 0.000 0.443 748 H N -0.254 118.816 119.070 -0.000 0.000 2.352 748 H HA -0.136 4.421 4.556 0.001 0.000 0.299 748 H C 2.074 177.487 175.328 0.142 0.000 1.097 748 H CA 2.340 58.442 56.048 0.090 0.000 1.311 748 H CB -0.234 29.568 29.762 0.066 0.000 1.377 748 H HN 0.581 nan 8.280 nan 0.000 0.504 749 Q N -1.119 118.658 119.800 -0.038 0.000 2.167 749 Q HA -0.160 4.180 4.340 0.001 0.000 0.202 749 Q C 2.152 178.143 176.000 -0.015 0.000 0.970 749 Q CA 1.167 56.916 55.803 -0.091 0.000 0.855 749 Q CB -0.121 28.610 28.738 -0.011 0.000 0.911 749 Q HN 0.657 nan 8.270 nan 0.000 0.438 750 H N 0.776 119.821 119.070 -0.041 0.000 2.299 750 H HA -0.079 4.477 4.556 0.001 0.000 0.302 750 H C 2.124 177.458 175.328 0.011 0.000 1.078 750 H CA 1.394 57.453 56.048 0.019 0.000 1.323 750 H CB -0.061 29.760 29.762 0.099 0.000 1.381 750 H HN 0.264 nan 8.280 nan 0.000 0.498 751 I N 0.315 120.881 120.570 -0.007 0.000 2.264 751 I HA -0.342 3.829 4.170 0.001 0.000 0.248 751 I C 1.767 177.678 176.117 -0.342 0.000 1.111 751 I CA 1.408 62.622 61.300 -0.144 0.000 1.382 751 I CB -0.256 37.514 38.000 -0.383 0.000 1.060 751 I HN 0.204 nan 8.210 nan 0.000 0.418 752 Y N 0.692 120.801 120.300 -0.318 0.000 2.337 752 Y HA -0.177 4.373 4.550 0.001 0.000 0.293 752 Y C 2.666 178.376 175.900 -0.316 0.000 1.123 752 Y CA 1.768 59.575 58.100 -0.488 0.000 1.201 752 Y CB -0.546 37.644 38.460 -0.450 0.000 1.011 752 Y HN 0.139 nan 8.280 nan 0.000 0.545 753 T N -1.471 113.015 114.554 -0.114 0.000 2.708 753 T HA -0.265 4.086 4.350 0.001 0.000 0.266 753 T C 1.527 176.070 174.700 -0.261 0.000 1.037 753 T CA 1.977 63.952 62.100 -0.208 0.000 1.146 753 T CB -0.537 68.214 68.868 -0.195 0.000 0.865 753 T HN 0.390 nan 8.240 nan 0.000 0.435 754 H N 0.906 119.827 119.070 -0.249 0.000 2.352 754 H HA 0.037 4.594 4.556 0.001 0.000 0.299 754 H C 2.148 177.448 175.328 -0.046 0.000 1.097 754 H CA 1.679 57.658 56.048 -0.114 0.000 1.311 754 H CB -0.267 29.412 29.762 -0.138 0.000 1.377 754 H HN 0.294 nan 8.280 nan 0.000 0.504 755 M N -1.079 118.445 119.600 -0.126 0.000 2.254 755 M HA -0.112 4.369 4.480 0.001 0.000 0.265 755 M C 2.364 178.787 176.300 0.204 0.000 1.066 755 M CA 1.262 56.486 55.300 -0.126 0.000 1.123 755 M CB 0.126 32.366 32.600 -0.600 0.000 1.388 755 M HN 0.169 nan 8.290 nan 0.000 0.425 756 S N -0.419 115.437 115.700 0.260 0.000 2.368 756 S HA -0.151 4.320 4.470 0.001 0.000 0.225 756 S C 1.580 176.299 174.600 0.198 0.000 1.030 756 S CA 1.229 59.672 58.200 0.406 0.000 0.999 756 S CB -0.626 62.820 63.200 0.409 0.000 0.844 756 S HN 0.558 nan 8.310 nan 0.000 0.459 757 H N -0.306 118.834 119.070 0.116 0.000 2.290 757 H HA -0.087 4.470 4.556 0.001 0.000 0.298 757 H C 1.977 177.310 175.328 0.008 0.000 1.087 757 H CA 1.718 57.782 56.048 0.028 0.000 1.291 757 H CB -0.266 29.461 29.762 -0.058 0.000 1.369 757 H HN 0.375 nan 8.280 nan 0.000 0.492 758 F N 1.045 120.985 119.950 -0.017 0.000 2.095 758 F HA -0.257 4.270 4.527 0.001 0.000 0.298 758 F C 2.138 177.891 175.800 -0.077 0.000 1.104 758 F CA 1.152 59.107 58.000 -0.076 0.000 1.232 758 F CB -0.145 38.784 39.000 -0.118 0.000 0.987 758 F HN 0.084 nan 8.300 nan 0.000 0.475 759 I N 0.539 121.190 120.570 0.135 0.000 2.163 759 I HA -0.259 3.911 4.170 0.001 0.000 0.240 759 I C 2.275 178.244 176.117 -0.247 0.000 1.081 759 I CA 1.509 62.714 61.300 -0.158 0.000 1.353 759 I CB -1.148 36.797 38.000 -0.093 0.000 1.054 759 I HN 0.194 nan 8.210 nan 0.000 0.407 760 K N 0.519 120.905 120.400 -0.024 0.000 2.063 760 K HA -0.272 4.049 4.320 0.001 0.000 0.208 760 K C 2.013 178.624 176.600 0.018 0.000 1.048 760 K CA 1.976 58.295 56.287 0.052 0.000 0.928 760 K CB -0.221 32.352 32.500 0.121 0.000 0.713 760 K HN 0.360 nan 8.250 nan 0.000 0.442 761 Q N 0.888 120.660 119.800 -0.046 0.000 2.123 761 Q HA -0.142 4.199 4.340 0.001 0.000 0.199 761 Q C 2.099 178.010 176.000 -0.149 0.000 0.966 761 Q CA 1.771 57.522 55.803 -0.088 0.000 0.845 761 Q CB -0.892 27.781 28.738 -0.108 0.000 0.907 761 Q HN 0.339 nan 8.270 nan 0.000 0.439 762 c N -0.418 118.003 118.600 -0.298 0.000 2.432 762 c HA 0.084 4.655 4.570 0.001 0.000 0.282 762 c C 1.454 175.568 174.090 0.039 0.000 1.388 762 c CA 0.222 56.392 56.329 -0.265 0.000 1.777 762 c CB -1.289 40.941 42.510 -0.467 0.000 1.882 762 c HN 0.599 nan 8.230 nan 0.000 0.520 763 F N 1.731 121.661 119.950 -0.033 0.000 2.727 763 F HA 0.237 4.765 4.527 0.001 0.000 0.302 763 F C 1.629 177.422 175.800 -0.013 0.000 1.097 763 F CA 0.342 58.338 58.000 -0.006 0.000 1.330 763 F CB -1.034 37.971 39.000 0.009 0.000 1.084 763 F HN 0.239 nan 8.300 nan 0.000 0.578 764 S N 0.631 116.419 115.700 0.147 0.000 3.682 764 S HA -0.236 4.234 4.470 0.001 0.000 0.354 764 S C 0.034 174.680 174.600 0.077 0.000 1.034 764 S CA 0.038 58.283 58.200 0.076 0.000 1.084 764 S CB -2.426 60.804 63.200 0.051 0.000 0.903 764 S HN 0.246 nan 8.310 nan 0.000 0.470 765 L N 2.396 123.682 121.223 0.104 0.000 2.290 765 L HA 0.392 4.732 4.340 0.001 0.000 0.284 765 L C -0.807 176.104 176.870 0.068 0.000 1.078 765 L CA -1.782 53.111 54.840 0.088 0.000 0.815 765 L CB 0.379 42.509 42.059 0.118 0.000 1.162 765 L HN 0.110 nan 8.230 nan 0.000 0.435 766 P HA 0.000 nan 4.420 nan 0.000 0.216 766 P CA 0.000 63.126 63.100 0.043 0.000 0.800 766 P CB 0.000 31.719 31.700 0.032 0.000 0.726