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 2ajc_1_D DATA FIRST_RESID 39 DATA SEQUENCE SRRTYTLTDY LKSTFRVKFY TLQWISDHEY LYKQENNILL FNAEYGNSSI DATA SEQUENCE FLENSTFDEL GYSTNDYSVS PDRQFILFEY NYVKQWRHSY TASYDIYDLN DATA SEQUENCE KRQLITEERI PNNTQWITWS PVGHKLAYVW NNDIYVKNEP NLSSQRITWT DATA SEQUENCE GKENVIYNGV TDWVYEEEVF SAYSALWWSP NGTFLAYAQF NDTEVPLIEY DATA SEQUENCE SFYSDESLQY PKTVRIPYPK AGAENPTVKF FVVDTRTLSP NASVTSYQIV DATA SEQUENCE PPASVLIGDH YLCGVTWVTE ERISLQWIRR AQNYSIIDIC DYDESTGRWI DATA SEQUENCE SSVARQHIEI STTGWVGRFR PAEPHFTSDG NSFYKIISNE EGYKHIcHFQ DATA SEQUENCE TDKSNcTFIT KGAWEVIGIE ALTSDYLYYI SNEHKGMPGG RNLYRIQLND DATA SEQUENCE YTKVTCLSCE LNPERcQYYS ASFSNKAKYY QLRcFGPGLP LYTLHSSSSD DATA SEQUENCE KELRVLEDNS ALDKMLQDVQ MPSKKLDVIN LHGTKFWYQM ILPPHFDKSK DATA SEQUENCE KYPLLIEVYA GPCSQKVDTV FRLSWATYLA STENIIVASF DGRGSGYQGD DATA SEQUENCE KIMHAINRRL GTFEVEDQIE ATRQFSKMGF VDDKRIAIWG WSYGGYVTSM DATA SEQUENCE VLGAGSGVFK cGIAVAPVSK WEYYDSVYTE RYMGLPTPED NLDYYRNSTV DATA SEQUENCE MSRAENFKQV EYLLIHGTAD DNVHFQQSAQ LSKALVDAGV DFQTMWYTDE DATA SEQUENCE DHGIASNMAH QHIYTHMSHF LKQcFSLP VARS RESID RESNAME ATOMNAME SS_SHIFT SHIFT RC_SHIFT HM_SHIFT EF_SHIFT SIGMA FORMAT %4d %4s %4s %9.3f %9.3f %9.3f %9.3f %9.3f %9.3f 39 S HA 0.000 nan 4.470 nan 0.000 0.327 39 S C 0.000 174.637 174.600 0.062 0.000 1.055 39 S CA 0.000 58.228 58.200 0.046 0.000 1.107 39 S CB 0.000 63.229 63.200 0.049 0.000 0.593 40 R N 2.212 122.758 120.500 0.077 0.000 2.491 40 R HA 0.496 4.835 4.340 -0.000 0.000 0.283 40 R C 0.110 176.471 176.300 0.102 0.000 1.072 40 R CA -0.132 56.023 56.100 0.092 0.000 1.048 40 R CB 0.435 30.795 30.300 0.100 0.000 0.983 40 R HN 0.381 nan 8.270 nan 0.000 0.450 41 R N 0.344 120.913 120.500 0.115 0.000 2.801 41 R HA 0.118 4.458 4.340 -0.000 0.000 0.273 41 R C 0.484 176.872 176.300 0.146 0.000 1.080 41 R CA -0.043 56.134 56.100 0.129 0.000 1.197 41 R CB 0.198 30.590 30.300 0.154 0.000 1.109 41 R HN 0.670 nan 8.270 nan 0.000 0.535 42 T N -2.667 111.983 114.554 0.159 0.000 2.948 42 T HA 0.233 4.583 4.350 -0.000 0.000 0.285 42 T C -0.851 173.997 174.700 0.246 0.000 1.019 42 T CA -0.743 61.468 62.100 0.185 0.000 1.013 42 T CB 0.777 69.747 68.868 0.171 0.000 1.117 42 T HN 0.478 nan 8.240 nan 0.000 0.533 43 Y N 2.528 122.912 120.300 0.140 0.000 2.452 43 Y HA 0.400 4.950 4.550 -0.000 0.000 0.348 43 Y C 0.885 176.955 175.900 0.284 0.000 0.985 43 Y CA -0.391 57.822 58.100 0.189 0.000 1.214 43 Y CB 0.019 38.545 38.460 0.110 0.000 1.136 43 Y HN 1.024 nan 8.280 nan 0.000 0.523 44 T N 2.740 117.276 114.554 -0.030 0.000 2.881 44 T HA 0.137 4.487 4.350 -0.000 0.000 0.278 44 T C 0.968 175.536 174.700 -0.221 0.000 0.982 44 T CA -0.723 61.394 62.100 0.028 0.000 0.989 44 T CB 1.229 70.089 68.868 -0.014 0.000 1.058 44 T HN 0.705 nan 8.240 nan 0.000 0.529 45 L N 1.019 121.914 121.223 -0.547 0.000 2.046 45 L HA 0.018 4.358 4.340 -0.000 0.000 0.208 45 L C 2.623 179.328 176.870 -0.276 0.000 1.077 45 L CA 2.137 56.531 54.840 -0.744 0.000 0.747 45 L CB -1.547 39.961 42.059 -0.918 0.000 0.896 45 L HN 0.956 nan 8.230 nan 0.000 0.432 46 T N -0.369 114.053 114.554 -0.220 0.000 2.746 46 T HA -0.162 4.188 4.350 -0.000 0.000 0.267 46 T C 1.482 176.089 174.700 -0.155 0.000 1.039 46 T CA 1.492 63.502 62.100 -0.150 0.000 1.142 46 T CB -0.329 68.475 68.868 -0.107 0.000 0.866 46 T HN 0.431 nan 8.240 nan 0.000 0.444 47 D N 0.089 120.364 120.400 -0.208 0.000 2.104 47 D HA -0.111 4.528 4.640 -0.000 0.000 0.194 47 D C 1.749 177.965 176.300 -0.139 0.000 0.994 47 D CA 1.163 55.025 54.000 -0.229 0.000 0.830 47 D CB -0.413 40.144 40.800 -0.406 0.000 0.959 47 D HN 0.437 nan 8.370 nan 0.000 0.452 48 Y N 1.579 121.700 120.300 -0.298 0.000 2.145 48 Y HA -0.125 4.425 4.550 -0.000 0.000 0.286 48 Y C 2.246 178.168 175.900 0.038 0.000 1.145 48 Y CA 1.236 59.353 58.100 0.028 0.000 1.148 48 Y CB -0.603 37.937 38.460 0.133 0.000 0.981 48 Y HN -0.100 nan 8.280 nan 0.000 0.507 49 L N 0.053 121.081 121.223 -0.325 0.000 2.046 49 L HA -0.192 4.147 4.340 -0.000 0.000 0.208 49 L C 2.048 178.806 176.870 -0.187 0.000 1.077 49 L CA 1.730 56.355 54.840 -0.359 0.000 0.747 49 L CB -0.478 41.455 42.059 -0.210 0.000 0.896 49 L HN 0.121 nan 8.230 nan 0.000 0.432 50 K N -0.547 119.774 120.400 -0.132 0.000 2.404 50 K HA 0.141 4.461 4.320 -0.000 0.000 0.194 50 K C 0.405 176.964 176.600 -0.068 0.000 1.023 50 K CA 0.027 56.262 56.287 -0.087 0.000 1.094 50 K CB 0.509 32.960 32.500 -0.082 0.000 0.841 50 K HN 0.051 nan 8.250 nan 0.000 0.523 51 S N 1.152 116.824 115.700 -0.048 0.000 3.628 51 S HA -0.153 4.317 4.470 -0.000 0.000 0.373 51 S C 1.229 175.835 174.600 0.011 0.000 0.968 51 S CA 0.919 59.142 58.200 0.039 0.000 1.215 51 S CB -1.779 61.439 63.200 0.031 0.000 0.912 51 S HN 0.689 nan 8.310 nan 0.000 0.495 52 T N -2.194 112.316 114.554 -0.074 0.000 2.833 52 T HA -0.031 4.319 4.350 -0.000 0.000 0.269 52 T C 0.436 174.936 174.700 -0.333 0.000 1.054 52 T CA 0.947 62.883 62.100 -0.273 0.000 1.135 52 T CB -0.385 68.191 68.868 -0.487 0.000 0.869 52 T HN 0.408 nan 8.240 nan 0.000 0.466 53 F N 2.255 122.296 119.950 0.151 0.000 2.313 53 F HA 0.595 5.121 4.527 -0.000 0.000 0.369 53 F C 0.461 176.365 175.800 0.173 0.000 1.109 53 F CA -1.360 56.749 58.000 0.180 0.000 1.132 53 F CB 0.610 39.776 39.000 0.276 0.000 1.291 53 F HN -0.256 nan 8.300 nan 0.000 0.496 54 R N 1.647 122.289 120.500 0.235 0.000 2.298 54 R HA 0.431 4.770 4.340 -0.000 0.000 0.310 54 R C -0.826 175.594 176.300 0.200 0.000 1.068 54 R CA -0.374 55.836 56.100 0.183 0.000 0.957 54 R CB 0.830 31.182 30.300 0.087 0.000 1.003 54 R HN 0.371 nan 8.270 nan 0.000 0.454 55 V N 5.273 125.330 119.914 0.238 0.000 2.368 55 V HA 0.172 4.292 4.120 -0.000 0.000 0.266 55 V C 0.371 176.585 176.094 0.200 0.000 1.045 55 V CA -0.383 62.073 62.300 0.260 0.000 0.899 55 V CB 0.713 32.752 31.823 0.360 0.000 1.006 55 V HN 0.621 nan 8.190 nan 0.000 0.470 56 K N 4.942 125.397 120.400 0.090 0.000 2.154 56 K HA 0.634 4.953 4.320 -0.000 0.000 0.264 56 K C -0.513 176.057 176.600 -0.049 0.000 1.008 56 K CA -0.149 56.072 56.287 -0.111 0.000 0.937 56 K CB 1.071 33.488 32.500 -0.138 0.000 1.002 56 K HN 0.590 nan 8.250 nan 0.000 0.469 57 F N -1.147 118.728 119.950 -0.125 0.000 2.790 57 F HA 0.539 5.065 4.527 -0.000 0.000 0.337 57 F C -1.278 174.184 175.800 -0.564 0.000 1.163 57 F CA -1.408 56.267 58.000 -0.542 0.000 0.997 57 F CB 0.762 39.662 39.000 -0.166 0.000 1.437 57 F HN 0.377 nan 8.300 nan 0.000 0.512 58 Y N 0.556 120.463 120.300 -0.655 0.000 2.317 58 Y HA 0.497 5.047 4.550 -0.000 0.000 0.329 58 Y C -1.218 174.697 175.900 0.027 0.000 1.101 58 Y CA -0.726 57.227 58.100 -0.245 0.000 1.228 58 Y CB 1.391 39.582 38.460 -0.448 0.000 1.123 58 Y HN 0.758 nan 8.280 nan 0.000 0.457 59 T N 7.477 122.142 114.554 0.186 0.000 2.744 59 T HA 0.594 4.944 4.350 -0.000 0.000 0.291 59 T C -0.833 173.926 174.700 0.098 0.000 0.957 59 T CA -0.354 61.842 62.100 0.160 0.000 1.002 59 T CB 0.161 69.125 68.868 0.160 0.000 0.919 59 T HN 0.507 nan 8.240 nan 0.000 0.468 60 L N 1.753 122.982 121.223 0.010 0.000 2.333 60 L HA 0.736 5.076 4.340 -0.000 0.000 0.263 60 L C -0.674 176.151 176.870 -0.076 0.000 1.014 60 L CA -1.087 53.691 54.840 -0.105 0.000 0.820 60 L CB 1.561 43.225 42.059 -0.658 0.000 1.352 60 L HN 0.405 nan 8.230 nan 0.000 0.421 61 Q N 1.085 120.897 119.800 0.020 0.000 2.363 61 Q HA 0.377 4.716 4.340 -0.000 0.000 0.265 61 Q C -1.701 174.396 176.000 0.162 0.000 1.032 61 Q CA -0.263 55.608 55.803 0.113 0.000 0.746 61 Q CB 1.320 30.169 28.738 0.185 0.000 1.237 61 Q HN 0.639 nan 8.270 nan 0.000 0.475 62 W N 3.918 125.351 121.300 0.221 0.000 2.223 62 W HA 0.088 4.748 4.660 -0.001 0.000 0.334 62 W C 1.180 177.805 176.519 0.178 0.000 1.334 62 W CA -0.192 57.292 57.345 0.232 0.000 1.246 62 W CB 0.480 30.068 29.460 0.214 0.000 1.184 62 W HN 0.668 nan 8.180 nan 0.000 0.563 63 I N 0.576 121.395 120.570 0.415 0.000 4.225 63 I HA 0.379 4.549 4.170 -0.000 0.000 0.327 63 I C 0.302 176.527 176.117 0.180 0.000 1.422 63 I CA -0.220 61.218 61.300 0.232 0.000 1.150 63 I CB -0.206 37.856 38.000 0.105 0.000 1.192 63 I HN 0.264 nan 8.210 nan 0.000 0.440 64 S N 0.142 115.979 115.700 0.228 0.000 2.714 64 S HA 0.241 4.710 4.470 -0.000 0.000 0.280 64 S C -0.320 174.384 174.600 0.173 0.000 1.200 64 S CA 0.104 58.389 58.200 0.141 0.000 0.900 64 S CB 0.873 64.069 63.200 -0.006 0.000 1.235 64 S HN 0.225 nan 8.310 nan 0.000 0.512 65 D N -0.055 120.462 120.400 0.195 0.000 2.355 65 D HA 0.059 4.699 4.640 -0.000 0.000 0.218 65 D C 1.088 177.603 176.300 0.358 0.000 1.004 65 D CA 1.167 55.291 54.000 0.206 0.000 0.880 65 D CB -0.430 40.501 40.800 0.218 0.000 0.911 65 D HN 0.797 nan 8.370 nan 0.000 0.528 66 H N -1.758 117.495 119.070 0.305 0.000 3.297 66 H HA 0.412 4.968 4.556 -0.000 0.000 0.254 66 H C -0.792 174.739 175.328 0.339 0.000 1.192 66 H CA -0.462 55.791 56.048 0.342 0.000 1.058 66 H CB -0.248 29.716 29.762 0.338 0.000 1.777 66 H HN 0.055 nan 8.280 nan 0.000 0.696 67 E N 1.147 121.416 120.200 0.115 0.000 2.317 67 E HA 0.460 4.809 4.350 -0.000 0.000 0.270 67 E C -1.555 175.228 176.600 0.306 0.000 0.885 67 E CA -1.206 55.235 56.400 0.068 0.000 0.760 67 E CB 2.790 32.400 29.700 -0.150 0.000 1.227 67 E HN 0.304 nan 8.360 nan 0.000 0.434 68 Y N -0.492 119.844 120.300 0.059 0.000 2.571 68 Y HA 0.607 5.157 4.550 -0.000 0.000 0.341 68 Y C -1.813 174.109 175.900 0.038 0.000 1.076 68 Y CA -1.397 56.666 58.100 -0.062 0.000 1.029 68 Y CB 0.789 38.902 38.460 -0.579 0.000 1.308 68 Y HN 0.376 nan 8.280 nan 0.000 0.461 69 L N 3.399 124.812 121.223 0.317 0.000 2.343 69 L HA 0.538 4.878 4.340 -0.000 0.000 0.275 69 L C -1.241 175.942 176.870 0.522 0.000 1.056 69 L CA -0.998 54.013 54.840 0.284 0.000 0.804 69 L CB 1.551 43.671 42.059 0.102 0.000 1.203 69 L HN 0.797 nan 8.230 nan 0.000 0.440 70 Y N 2.229 122.740 120.300 0.352 0.000 2.479 70 Y HA 0.343 4.893 4.550 -0.000 0.000 0.338 70 Y C -0.899 175.133 175.900 0.219 0.000 1.055 70 Y CA -1.230 57.029 58.100 0.265 0.000 1.023 70 Y CB 1.696 40.355 38.460 0.331 0.000 1.287 70 Y HN 0.418 nan 8.280 nan 0.000 0.447 71 K N 4.753 124.878 120.400 -0.458 0.000 2.211 71 K HA 0.397 4.716 4.320 -0.000 0.000 0.275 71 K C -1.257 174.941 176.600 -0.669 0.000 1.024 71 K CA -0.507 55.577 56.287 -0.338 0.000 0.887 71 K CB 0.996 33.429 32.500 -0.112 0.000 1.084 71 K HN 0.849 nan 8.250 nan 0.000 0.463 72 Q N 3.149 122.782 119.800 -0.279 0.000 2.289 72 Q HA 0.109 4.449 4.340 -0.000 0.000 0.270 72 Q C -1.165 174.799 176.000 -0.060 0.000 1.038 72 Q CA -0.310 55.395 55.803 -0.163 0.000 0.812 72 Q CB 1.442 30.239 28.738 0.098 0.000 1.300 72 Q HN 0.723 nan 8.270 nan 0.000 0.427 73 E N 2.913 123.074 120.200 -0.065 0.000 2.328 73 E HA -0.371 3.979 4.350 -0.000 0.000 0.233 73 E C -0.574 175.999 176.600 -0.045 0.000 1.219 73 E CA 0.635 57.008 56.400 -0.044 0.000 0.717 73 E CB -1.059 28.635 29.700 -0.009 0.000 1.210 73 E HN 0.826 nan 8.360 nan 0.000 0.381 74 N N -1.666 116.983 118.700 -0.084 0.000 2.828 74 N HA -0.179 4.561 4.740 -0.000 0.000 0.248 74 N C -0.674 174.872 175.510 0.061 0.000 1.044 74 N CA 1.627 54.621 53.050 -0.094 0.000 0.851 74 N CB -1.309 37.112 38.487 -0.110 0.000 1.136 74 N HN 0.448 nan 8.380 nan 0.000 0.572 75 N N 0.161 118.892 118.700 0.053 0.000 2.443 75 N HA 0.621 5.361 4.740 -0.000 0.000 0.293 75 N C -0.129 175.427 175.510 0.078 0.000 1.159 75 N CA -0.482 52.628 53.050 0.100 0.000 0.904 75 N CB 1.549 40.066 38.487 0.050 0.000 1.214 75 N HN 0.053 nan 8.380 nan 0.000 0.513 76 I N 1.949 122.568 120.570 0.081 0.000 2.321 76 I HA 0.306 4.476 4.170 -0.000 0.000 0.291 76 I C -0.681 175.498 176.117 0.103 0.000 0.998 76 I CA -0.506 60.823 61.300 0.048 0.000 1.227 76 I CB 0.576 38.554 38.000 -0.038 0.000 1.368 76 I HN 0.218 nan 8.210 nan 0.000 0.466 77 L N 6.435 127.732 121.223 0.123 0.000 2.330 77 L HA 0.532 4.872 4.340 -0.000 0.000 0.271 77 L C -0.723 176.134 176.870 -0.022 0.000 1.013 77 L CA -1.000 53.846 54.840 0.010 0.000 0.816 77 L CB 2.079 44.087 42.059 -0.086 0.000 1.287 77 L HN 0.395 nan 8.230 nan 0.000 0.435 78 L N 2.172 123.291 121.223 -0.174 0.000 2.276 78 L HA 0.520 4.860 4.340 -0.000 0.000 0.286 78 L C -1.142 175.501 176.870 -0.378 0.000 1.024 78 L CA 0.214 54.958 54.840 -0.160 0.000 0.826 78 L CB 0.514 42.567 42.059 -0.010 0.000 1.211 78 L HN 0.197 nan 8.230 nan 0.000 0.422 79 F N 3.746 123.464 119.950 -0.386 0.000 2.421 79 F HA 0.420 4.947 4.527 -0.000 0.000 0.337 79 F C 0.745 176.261 175.800 -0.473 0.000 1.105 79 F CA -0.354 57.326 58.000 -0.533 0.000 1.049 79 F CB 1.194 39.574 39.000 -1.034 0.000 1.139 79 F HN 0.502 nan 8.300 nan 0.000 0.479 80 N N 2.604 121.269 118.700 -0.058 0.000 2.457 80 N HA 0.406 5.145 4.740 -0.000 0.000 0.250 80 N C -0.486 175.051 175.510 0.045 0.000 0.982 80 N CA -0.189 52.897 53.050 0.060 0.000 0.941 80 N CB 1.324 39.928 38.487 0.195 0.000 1.120 80 N HN 0.772 nan 8.380 nan 0.000 0.505 81 A N 2.683 125.473 122.820 -0.050 0.000 2.536 81 A HA 0.074 4.393 4.320 -0.000 0.000 0.234 81 A C 1.094 178.490 177.584 -0.313 0.000 1.076 81 A CA 0.884 52.740 52.037 -0.301 0.000 0.769 81 A CB -0.097 18.373 19.000 -0.882 0.000 1.020 81 A HN 0.991 nan 8.150 nan 0.000 0.508 82 E N -0.820 119.210 120.200 -0.284 0.000 4.277 82 E HA -0.359 3.991 4.350 -0.000 0.000 0.189 82 E C 1.028 177.570 176.600 -0.097 0.000 1.264 82 E CA 2.068 58.382 56.400 -0.144 0.000 2.321 82 E CB -1.554 28.048 29.700 -0.163 0.000 1.841 82 E HN 0.781 nan 8.360 nan 0.000 0.373 83 Y N 0.189 120.500 120.300 0.019 0.000 2.315 83 Y HA -0.041 4.509 4.550 -0.000 0.000 0.288 83 Y C 2.374 178.286 175.900 0.019 0.000 1.154 83 Y CA 2.191 60.305 58.100 0.024 0.000 1.229 83 Y CB -0.457 38.021 38.460 0.030 0.000 0.980 83 Y HN 0.590 nan 8.280 nan 0.000 0.540 84 G N -0.004 108.890 108.800 0.157 0.000 2.257 84 G HA2 -0.382 3.577 3.960 -0.000 0.000 0.267 84 G HA3 -0.382 3.577 3.960 -0.000 0.000 0.267 84 G C 0.397 175.401 174.900 0.173 0.000 0.984 84 G CA 0.424 45.603 45.100 0.131 0.000 0.626 84 G HN 0.546 nan 8.290 nan 0.000 0.540 85 N N 0.776 119.557 118.700 0.135 0.000 2.399 85 N HA 0.492 5.232 4.740 -0.000 0.000 0.250 85 N C 0.015 175.503 175.510 -0.035 0.000 1.272 85 N CA 0.852 53.934 53.050 0.053 0.000 0.928 85 N CB 1.249 39.741 38.487 0.007 0.000 1.158 85 N HN 1.093 nan 8.380 nan 0.000 0.463 86 S N -1.739 113.862 115.700 -0.165 0.000 2.570 86 S HA 0.675 5.145 4.470 -0.000 0.000 0.270 86 S C -0.965 173.460 174.600 -0.292 0.000 1.149 86 S CA -0.911 57.037 58.200 -0.420 0.000 0.837 86 S CB 1.158 63.690 63.200 -1.114 0.000 1.124 86 S HN 0.924 nan 8.310 nan 0.000 0.465 87 S N 0.454 115.986 115.700 -0.280 0.000 2.632 87 S HA 0.718 5.187 4.470 -0.000 0.000 0.289 87 S C -0.671 173.852 174.600 -0.127 0.000 1.115 87 S CA -1.083 57.023 58.200 -0.156 0.000 0.889 87 S CB 0.627 63.771 63.200 -0.093 0.000 1.116 87 S HN 0.775 nan 8.310 nan 0.000 0.486 88 I N 2.327 122.851 120.570 -0.077 0.000 2.436 88 I HA 0.177 4.346 4.170 -0.000 0.000 0.289 88 I C 0.414 176.533 176.117 0.004 0.000 1.083 88 I CA -0.195 61.083 61.300 -0.036 0.000 1.372 88 I CB 0.347 38.320 38.000 -0.046 0.000 1.408 88 I HN 0.767 nan 8.210 nan 0.000 0.516 89 F N 7.442 127.339 119.950 -0.089 0.000 2.262 89 F HA 0.240 4.767 4.527 -0.000 0.000 0.292 89 F C 0.323 176.083 175.800 -0.066 0.000 1.081 89 F CA 0.481 58.438 58.000 -0.071 0.000 1.355 89 F CB 0.525 39.491 39.000 -0.057 0.000 1.069 89 F HN 0.290 nan 8.300 nan 0.000 0.506 90 L N 0.951 122.217 121.223 0.072 0.000 2.505 90 L HA 0.339 4.679 4.340 -0.000 0.000 0.266 90 L C -1.132 175.696 176.870 -0.071 0.000 0.954 90 L CA -0.453 54.353 54.840 -0.056 0.000 0.852 90 L CB 1.813 43.848 42.059 -0.040 0.000 1.282 90 L HN -0.040 nan 8.230 nan 0.000 0.403 91 E N 2.070 122.200 120.200 -0.116 0.000 2.331 91 E HA 0.150 4.500 4.350 -0.000 0.000 0.272 91 E C 0.437 176.979 176.600 -0.096 0.000 1.036 91 E CA -0.116 56.236 56.400 -0.080 0.000 0.864 91 E CB 0.735 30.387 29.700 -0.079 0.000 1.035 91 E HN 0.680 nan 8.360 nan 0.000 0.408 92 N N 1.300 120.018 118.700 0.031 0.000 2.430 92 N HA -0.200 4.540 4.740 -0.000 0.000 0.186 92 N C 0.987 176.518 175.510 0.035 0.000 1.032 92 N CA 1.078 54.228 53.050 0.166 0.000 0.893 92 N CB -0.164 38.400 38.487 0.128 0.000 0.957 92 N HN 0.169 nan 8.380 nan 0.000 0.442 93 S N -0.212 115.454 115.700 -0.056 0.000 2.383 93 S HA -0.158 4.312 4.470 -0.000 0.000 0.229 93 S C 1.774 176.281 174.600 -0.156 0.000 1.030 93 S CA 1.668 59.818 58.200 -0.083 0.000 1.002 93 S CB -0.814 62.340 63.200 -0.078 0.000 0.829 93 S HN 0.534 nan 8.310 nan 0.000 0.467 94 T N 2.061 116.449 114.554 -0.277 0.000 2.665 94 T HA -0.110 4.240 4.350 -0.000 0.000 0.268 94 T C 1.407 175.801 174.700 -0.511 0.000 1.035 94 T CA 1.513 63.342 62.100 -0.452 0.000 1.151 94 T CB -0.571 67.872 68.868 -0.708 0.000 0.862 94 T HN 0.343 nan 8.240 nan 0.000 0.438 95 F N 1.922 121.662 119.950 -0.350 0.000 2.126 95 F HA -0.072 4.454 4.527 -0.000 0.000 0.299 95 F C 2.385 177.989 175.800 -0.327 0.000 1.096 95 F CA 0.753 58.516 58.000 -0.395 0.000 1.255 95 F CB -0.668 38.150 39.000 -0.305 0.000 0.997 95 F HN 0.153 nan 8.300 nan 0.000 0.479 96 D N 0.016 120.382 120.400 -0.057 0.000 2.264 96 D HA -0.129 4.510 4.640 -0.000 0.000 0.208 96 D C 1.761 177.975 176.300 -0.142 0.000 0.966 96 D CA 1.021 54.967 54.000 -0.091 0.000 0.864 96 D CB -0.287 40.475 40.800 -0.064 0.000 0.933 96 D HN 0.478 nan 8.370 nan 0.000 0.499 97 E N -0.064 120.030 120.200 -0.177 0.000 2.442 97 E HA 0.081 4.431 4.350 -0.000 0.000 0.195 97 E C 0.446 176.901 176.600 -0.243 0.000 1.030 97 E CA -0.063 56.233 56.400 -0.172 0.000 0.869 97 E CB 0.453 30.070 29.700 -0.138 0.000 0.857 97 E HN 0.225 nan 8.360 nan 0.000 0.505 98 L N 1.102 122.096 121.223 -0.381 0.000 2.331 98 L HA 0.206 4.546 4.340 -0.000 0.000 0.278 98 L C 1.118 177.572 176.870 -0.692 0.000 1.106 98 L CA -0.498 53.950 54.840 -0.653 0.000 0.824 98 L CB 0.889 42.351 42.059 -0.995 0.000 1.142 98 L HN 0.024 nan 8.230 nan 0.000 0.443 99 G N 3.706 112.155 108.800 -0.585 0.000 3.353 99 G HA2 0.268 4.228 3.960 -0.000 0.000 0.247 99 G HA3 0.268 4.228 3.960 -0.000 0.000 0.247 99 G C -0.445 174.323 174.900 -0.219 0.000 1.025 99 G CA 0.235 45.151 45.100 -0.306 0.000 1.863 99 G HN 0.646 nan 8.290 nan 0.000 0.635 100 Y N -3.813 116.399 120.300 -0.148 0.000 2.932 100 Y HA 0.548 5.098 4.550 -0.000 0.000 0.384 100 Y C -0.573 175.264 175.900 -0.104 0.000 1.193 100 Y CA -2.059 55.967 58.100 -0.125 0.000 1.161 100 Y CB 0.160 38.488 38.460 -0.220 0.000 1.500 100 Y HN -0.108 nan 8.280 nan 0.000 0.463 101 S N 1.201 117.062 115.700 0.268 0.000 2.439 101 S HA 0.441 4.910 4.470 -0.000 0.000 0.282 101 S C -0.530 174.220 174.600 0.251 0.000 1.170 101 S CA -0.512 57.779 58.200 0.152 0.000 1.054 101 S CB 0.395 63.640 63.200 0.075 0.000 0.956 101 S HN 0.565 nan 8.310 nan 0.000 0.490 102 T N 3.993 118.655 114.554 0.180 0.000 2.723 102 T HA 0.111 4.461 4.350 -0.000 0.000 0.297 102 T C 1.526 176.267 174.700 0.068 0.000 0.925 102 T CA -0.474 61.752 62.100 0.210 0.000 1.030 102 T CB 0.215 69.215 68.868 0.220 0.000 0.905 102 T HN 0.628 nan 8.240 nan 0.000 0.502 103 N N 2.652 121.395 118.700 0.072 0.000 2.244 103 N HA -0.092 4.648 4.740 -0.000 0.000 0.183 103 N C 0.091 175.586 175.510 -0.025 0.000 1.016 103 N CA 0.999 54.026 53.050 -0.038 0.000 0.866 103 N CB 0.378 38.808 38.487 -0.095 0.000 0.980 103 N HN 0.603 nan 8.380 nan 0.000 0.430 104 D N -1.991 118.467 120.400 0.096 0.000 2.710 104 D HA 0.174 4.813 4.640 -0.000 0.000 0.276 104 D C -1.686 174.817 176.300 0.339 0.000 1.267 104 D CA -0.435 53.628 54.000 0.107 0.000 0.772 104 D CB 0.881 41.700 40.800 0.031 0.000 1.299 104 D HN 0.094 nan 8.370 nan 0.000 0.421 105 Y N -1.132 119.368 120.300 0.333 0.000 2.588 105 Y HA 0.759 5.309 4.550 -0.000 0.000 0.343 105 Y C -1.231 174.888 175.900 0.365 0.000 1.065 105 Y CA -0.995 57.376 58.100 0.452 0.000 1.038 105 Y CB 1.764 40.563 38.460 0.564 0.000 1.297 105 Y HN 0.141 nan 8.280 nan 0.000 0.467 106 S N 2.330 118.404 115.700 0.623 0.000 2.720 106 S HA 0.581 5.051 4.470 -0.000 0.000 0.278 106 S C -1.419 173.603 174.600 0.705 0.000 1.172 106 S CA -0.528 58.009 58.200 0.563 0.000 1.019 106 S CB 0.567 64.031 63.200 0.439 0.000 1.049 106 S HN 1.468 nan 8.310 nan 0.000 0.483 107 V N 3.914 124.129 119.914 0.501 0.000 2.509 107 V HA 0.784 4.904 4.120 -0.000 0.000 0.284 107 V C 0.457 176.471 176.094 -0.133 0.000 1.047 107 V CA -0.394 62.061 62.300 0.259 0.000 0.952 107 V CB 0.951 32.862 31.823 0.148 0.000 0.988 107 V HN 1.009 nan 8.190 nan 0.000 0.469 108 S N 5.190 120.449 115.700 -0.736 0.000 2.560 108 S HA 0.248 4.718 4.470 -0.000 0.000 0.284 108 S C -0.947 173.356 174.600 -0.496 0.000 1.327 108 S CA -0.206 57.130 58.200 -1.439 0.000 1.055 108 S CB 0.655 62.907 63.200 -1.580 0.000 0.868 108 S HN 0.844 nan 8.310 nan 0.000 0.506 109 P HA -0.165 nan 4.420 nan 0.000 0.220 109 P C 0.525 177.781 177.300 -0.072 0.000 1.144 109 P CA 1.551 64.588 63.100 -0.105 0.000 0.800 109 P CB -0.223 31.448 31.700 -0.049 0.000 0.772 110 D N -1.440 118.903 120.400 -0.095 0.000 2.328 110 D HA -0.008 4.631 4.640 -0.000 0.000 0.221 110 D C 0.624 176.902 176.300 -0.038 0.000 1.072 110 D CA -0.431 53.549 54.000 -0.033 0.000 0.850 110 D CB -0.625 40.185 40.800 0.017 0.000 0.922 110 D HN -0.062 nan 8.370 nan 0.000 0.516 111 R N -0.955 119.515 120.500 -0.050 0.000 3.863 111 R HA -0.226 4.113 4.340 -0.000 0.000 0.313 111 R C 0.815 177.067 176.300 -0.079 0.000 1.202 111 R CA 1.246 57.370 56.100 0.040 0.000 0.852 111 R CB -2.481 27.912 30.300 0.155 0.000 1.292 111 R HN 0.370 nan 8.270 nan 0.000 0.519 112 Q N -1.199 118.454 119.800 -0.246 0.000 2.384 112 Q HA 0.230 4.570 4.340 -0.000 0.000 0.207 112 Q C -0.372 175.032 176.000 -0.995 0.000 0.904 112 Q CA 0.572 56.014 55.803 -0.602 0.000 0.933 112 Q CB 0.558 28.871 28.738 -0.708 0.000 1.077 112 Q HN 0.178 nan 8.270 nan 0.000 0.522 113 F N -0.585 119.242 119.950 -0.205 0.000 2.662 113 F HA 0.530 5.057 4.527 -0.000 0.000 0.312 113 F C -0.784 175.021 175.800 0.009 0.000 1.113 113 F CA -1.158 56.773 58.000 -0.115 0.000 0.951 113 F CB 1.710 40.659 39.000 -0.086 0.000 1.344 113 F HN -0.242 nan 8.300 nan 0.000 0.462 114 I N 2.032 122.820 120.570 0.362 0.000 2.686 114 I HA 0.535 4.704 4.170 -0.000 0.000 0.295 114 I C -1.999 174.240 176.117 0.204 0.000 1.114 114 I CA -0.996 60.504 61.300 0.332 0.000 1.038 114 I CB 1.774 39.911 38.000 0.229 0.000 1.238 114 I HN 0.466 nan 8.210 nan 0.000 0.420 115 L N 7.461 128.910 121.223 0.377 0.000 2.289 115 L HA 0.516 4.855 4.340 -0.000 0.000 0.285 115 L C -1.268 175.798 176.870 0.326 0.000 1.049 115 L CA 0.169 55.153 54.840 0.240 0.000 0.804 115 L CB 1.057 43.234 42.059 0.197 0.000 1.195 115 L HN 0.357 nan 8.230 nan 0.000 0.428 116 F N 3.310 123.512 119.950 0.419 0.000 2.426 116 F HA 0.368 4.894 4.527 -0.000 0.000 0.348 116 F C 0.432 176.431 175.800 0.331 0.000 1.124 116 F CA -0.814 57.430 58.000 0.408 0.000 1.008 116 F CB 1.448 40.688 39.000 0.401 0.000 1.139 116 F HN 0.441 nan 8.300 nan 0.000 0.452 117 E N 4.988 125.444 120.200 0.428 0.000 2.197 117 E HA 0.354 4.704 4.350 -0.000 0.000 0.281 117 E C -1.569 175.066 176.600 0.058 0.000 0.995 117 E CA -0.513 55.878 56.400 -0.016 0.000 0.808 117 E CB 1.198 30.926 29.700 0.046 0.000 1.093 117 E HN 0.585 nan 8.360 nan 0.000 0.394 118 Y N 1.575 121.649 120.300 -0.376 0.000 2.705 118 Y HA 0.418 4.968 4.550 -0.000 0.000 0.332 118 Y C -0.411 175.336 175.900 -0.255 0.000 1.221 118 Y CA -1.644 56.276 58.100 -0.300 0.000 1.059 118 Y CB 0.463 38.585 38.460 -0.563 0.000 1.298 118 Y HN 0.548 nan 8.280 nan 0.000 0.459 119 N N -0.448 118.180 118.700 -0.121 0.000 2.754 119 N HA -0.287 4.453 4.740 -0.000 0.000 0.248 119 N C -1.025 174.421 175.510 -0.106 0.000 1.093 119 N CA 0.936 53.898 53.050 -0.147 0.000 0.699 119 N CB -1.784 36.502 38.487 -0.335 0.000 1.016 119 N HN 0.891 nan 8.380 nan 0.000 0.552 120 Y N 0.076 120.280 120.300 -0.159 0.000 2.620 120 Y HA 0.292 4.842 4.550 -0.000 0.000 0.330 120 Y C 0.061 175.910 175.900 -0.084 0.000 1.186 120 Y CA 0.060 58.074 58.100 -0.142 0.000 1.467 120 Y CB 0.710 39.045 38.460 -0.208 0.000 1.262 120 Y HN -0.010 nan 8.280 nan 0.000 0.550 121 V N 7.976 127.518 119.914 -0.618 0.000 2.462 121 V HA 0.178 4.297 4.120 -0.000 0.000 0.288 121 V C -0.376 175.329 176.094 -0.649 0.000 1.020 121 V CA -1.395 60.632 62.300 -0.455 0.000 0.857 121 V CB 1.310 32.995 31.823 -0.230 0.000 1.013 121 V HN 0.776 nan 8.190 nan 0.000 0.431 122 K N 3.653 123.693 120.400 -0.600 0.000 2.436 122 K HA 0.188 4.508 4.320 -0.000 0.000 0.275 122 K C 0.464 176.878 176.600 -0.309 0.000 0.999 122 K CA 0.351 56.419 56.287 -0.364 0.000 0.980 122 K CB 1.143 33.632 32.500 -0.018 0.000 0.919 122 K HN 0.819 nan 8.250 nan 0.000 0.484 123 Q N 2.934 122.521 119.800 -0.354 0.000 2.362 123 Q HA 0.166 4.506 4.340 -0.000 0.000 0.190 123 Q C -0.039 175.620 176.000 -0.568 0.000 0.763 123 Q CA -0.400 54.979 55.803 -0.706 0.000 0.681 123 Q CB 0.115 28.285 28.738 -0.946 0.000 2.020 123 Q HN 0.735 nan 8.270 nan 0.000 0.483 124 W N 0.184 121.452 121.300 -0.054 0.000 1.836 124 W HA 0.409 5.069 4.660 -0.001 0.000 0.639 124 W C 1.879 178.367 176.519 -0.053 0.000 1.404 124 W CA -0.692 56.652 57.345 -0.002 0.000 1.272 124 W CB -0.194 29.230 29.460 -0.061 0.000 3.422 124 W HN 0.233 nan 8.180 nan 0.000 0.765 125 R N -0.622 119.948 120.500 0.117 0.000 2.075 125 R HA -0.131 4.209 4.340 -0.000 0.000 0.232 125 R C 1.779 177.919 176.300 -0.267 0.000 1.126 125 R CA 1.694 57.696 56.100 -0.163 0.000 0.963 125 R CB -0.359 29.680 30.300 -0.436 0.000 0.858 125 R HN 0.490 nan 8.270 nan 0.000 0.435 126 H N -1.268 117.858 119.070 0.093 0.000 2.695 126 H HA 0.156 4.712 4.556 -0.000 0.000 0.267 126 H C 0.659 176.064 175.328 0.128 0.000 0.973 126 H CA 0.479 56.606 56.048 0.133 0.000 1.223 126 H CB 0.180 30.000 29.762 0.096 0.000 1.442 126 H HN 0.128 nan 8.280 nan 0.000 0.478 127 S N 1.393 117.072 115.700 -0.036 0.000 2.585 127 S HA 0.370 4.840 4.470 -0.000 0.000 0.273 127 S C -0.307 174.148 174.600 -0.242 0.000 1.339 127 S CA -0.474 57.423 58.200 -0.506 0.000 1.028 127 S CB 0.650 63.017 63.200 -1.387 0.000 0.906 127 S HN 0.446 nan 8.310 nan 0.000 0.528 128 Y N -2.296 117.842 120.300 -0.271 0.000 2.702 128 Y HA 0.663 5.213 4.550 -0.000 0.000 0.336 128 Y C -0.722 175.115 175.900 -0.106 0.000 1.203 128 Y CA -0.938 56.983 58.100 -0.299 0.000 1.072 128 Y CB 0.440 38.656 38.460 -0.406 0.000 1.327 128 Y HN 0.874 nan 8.280 nan 0.000 0.456 129 T N -0.189 114.390 114.554 0.041 0.000 2.940 129 T HA 1.032 5.382 4.350 -0.000 0.000 0.288 129 T C -0.404 174.370 174.700 0.122 0.000 1.045 129 T CA -0.222 61.932 62.100 0.091 0.000 1.018 129 T CB 1.820 70.698 68.868 0.016 0.000 1.151 129 T HN 1.946 nan 8.240 nan 0.000 0.529 130 A N 0.494 123.364 122.820 0.083 0.000 2.515 130 A HA 0.735 5.054 4.320 -0.000 0.000 0.292 130 A C -0.712 176.669 177.584 -0.339 0.000 1.065 130 A CA -0.960 50.983 52.037 -0.157 0.000 0.641 130 A CB 0.818 19.707 19.000 -0.186 0.000 1.306 130 A HN 0.848 nan 8.150 nan 0.000 0.441 131 S N -0.782 114.465 115.700 -0.754 0.000 2.593 131 S HA 0.833 5.303 4.470 -0.000 0.000 0.297 131 S C -1.554 172.412 174.600 -1.057 0.000 1.112 131 S CA -0.075 57.604 58.200 -0.869 0.000 1.043 131 S CB 0.729 63.093 63.200 -1.393 0.000 1.054 131 S HN 0.463 nan 8.310 nan 0.000 0.516 132 Y N 0.151 120.283 120.300 -0.280 0.000 2.504 132 Y HA 0.458 5.008 4.550 -0.000 0.000 0.344 132 Y C -0.417 175.555 175.900 0.119 0.000 1.023 132 Y CA -0.950 57.136 58.100 -0.024 0.000 1.020 132 Y CB 1.724 40.101 38.460 -0.139 0.000 1.282 132 Y HN 0.478 nan 8.280 nan 0.000 0.454 133 D N 2.290 122.928 120.400 0.397 0.000 2.457 133 D HA 0.545 5.185 4.640 -0.000 0.000 0.240 133 D C -0.881 175.536 176.300 0.195 0.000 1.041 133 D CA -0.316 53.877 54.000 0.321 0.000 0.861 133 D CB 2.434 43.514 40.800 0.467 0.000 1.394 133 D HN 0.403 nan 8.370 nan 0.000 0.473 134 I N 2.060 122.704 120.570 0.122 0.000 2.377 134 I HA 0.239 4.408 4.170 -0.000 0.000 0.293 134 I C -0.888 175.319 176.117 0.150 0.000 0.987 134 I CA -0.944 60.411 61.300 0.092 0.000 1.185 134 I CB 1.312 39.325 38.000 0.022 0.000 1.341 134 I HN 0.225 nan 8.210 nan 0.000 0.455 135 Y N 5.601 125.867 120.300 -0.056 0.000 2.335 135 Y HA 0.280 4.829 4.550 -0.000 0.000 0.338 135 Y C -0.194 175.785 175.900 0.132 0.000 0.977 135 Y CA -0.820 57.259 58.100 -0.035 0.000 1.114 135 Y CB 1.167 39.444 38.460 -0.305 0.000 1.182 135 Y HN 0.481 nan 8.280 nan 0.000 0.463 136 D N 6.499 126.708 120.400 -0.318 0.000 2.352 136 D HA 0.079 4.719 4.640 -0.000 0.000 0.245 136 D C 0.735 176.634 176.300 -0.669 0.000 1.224 136 D CA 0.300 54.089 54.000 -0.350 0.000 0.879 136 D CB 0.861 41.532 40.800 -0.215 0.000 1.057 136 D HN 0.873 nan 8.370 nan 0.000 0.491 137 L N 3.477 124.390 121.223 -0.517 0.000 2.275 137 L HA -0.114 4.226 4.340 -0.000 0.000 0.215 137 L C 1.979 178.621 176.870 -0.379 0.000 1.119 137 L CA 0.342 54.953 54.840 -0.383 0.000 0.790 137 L CB -0.252 41.618 42.059 -0.316 0.000 0.919 137 L HN 0.354 nan 8.230 nan 0.000 0.443 138 N N 1.282 119.732 118.700 -0.416 0.000 2.124 138 N HA -0.127 4.613 4.740 -0.000 0.000 0.189 138 N C 1.618 176.975 175.510 -0.255 0.000 1.050 138 N CA 1.331 54.195 53.050 -0.310 0.000 0.848 138 N CB -0.219 38.086 38.487 -0.303 0.000 1.027 138 N HN 0.413 nan 8.380 nan 0.000 0.435 139 K N 1.348 121.594 120.400 -0.257 0.000 2.525 139 K HA 0.115 4.435 4.320 -0.000 0.000 0.192 139 K C -0.268 176.196 176.600 -0.227 0.000 1.029 139 K CA 0.116 56.285 56.287 -0.198 0.000 1.029 139 K CB 0.076 32.484 32.500 -0.154 0.000 0.814 139 K HN 0.057 nan 8.250 nan 0.000 0.503 140 R N 1.508 121.797 120.500 -0.351 0.000 3.251 140 R HA -0.185 4.155 4.340 -0.000 0.000 0.249 140 R C -1.046 175.039 176.300 -0.358 0.000 0.949 140 R CA 0.795 56.653 56.100 -0.404 0.000 0.645 140 R CB -2.036 28.204 30.300 -0.100 0.000 1.065 140 R HN 0.592 nan 8.270 nan 0.000 0.452 141 Q N 0.232 119.724 119.800 -0.513 0.000 2.397 141 Q HA 0.494 4.834 4.340 -0.000 0.000 0.275 141 Q C -0.556 175.342 176.000 -0.171 0.000 1.090 141 Q CA -1.021 54.661 55.803 -0.203 0.000 0.809 141 Q CB 2.550 31.221 28.738 -0.112 0.000 1.362 141 Q HN 0.217 nan 8.270 nan 0.000 0.431 142 L N 3.357 124.650 121.223 0.118 0.000 2.261 142 L HA 0.369 4.709 4.340 -0.000 0.000 0.289 142 L C -0.519 176.421 176.870 0.117 0.000 1.059 142 L CA -0.466 54.517 54.840 0.238 0.000 0.816 142 L CB 0.378 42.617 42.059 0.301 0.000 1.191 142 L HN 0.606 nan 8.230 nan 0.000 0.431 143 I N 4.085 124.710 120.570 0.091 0.000 2.826 143 I HA -0.120 4.049 4.170 -0.000 0.000 0.295 143 I C 1.385 177.537 176.117 0.058 0.000 1.213 143 I CA 0.587 61.919 61.300 0.053 0.000 1.436 143 I CB 0.799 38.816 38.000 0.028 0.000 1.348 143 I HN 0.682 nan 8.210 nan 0.000 0.570 144 T N 1.050 115.627 114.554 0.038 0.000 3.010 144 T HA 0.154 4.504 4.350 -0.000 0.000 0.257 144 T C 0.341 175.049 174.700 0.014 0.000 1.020 144 T CA -0.467 61.655 62.100 0.036 0.000 0.938 144 T CB -0.031 68.859 68.868 0.036 0.000 1.049 144 T HN 0.694 nan 8.240 nan 0.000 0.522 145 E N 1.230 121.431 120.200 0.002 0.000 2.212 145 E HA 0.444 4.793 4.350 -0.000 0.000 0.270 145 E C -0.783 175.801 176.600 -0.028 0.000 0.956 145 E CA -0.976 55.417 56.400 -0.011 0.000 0.825 145 E CB 0.879 30.575 29.700 -0.006 0.000 1.167 145 E HN -0.090 nan 8.360 nan 0.000 0.400 146 E N 0.739 120.915 120.200 -0.039 0.000 2.360 146 E HA -0.205 4.145 4.350 -0.000 0.000 0.238 146 E C -0.613 175.936 176.600 -0.085 0.000 1.186 146 E CA 0.686 57.052 56.400 -0.057 0.000 0.719 146 E CB -1.397 28.281 29.700 -0.036 0.000 1.236 146 E HN 0.575 nan 8.360 nan 0.000 0.386 147 R N -0.355 120.089 120.500 -0.093 0.000 2.774 147 R HA 0.347 4.687 4.340 -0.000 0.000 0.269 147 R C 1.211 177.381 176.300 -0.218 0.000 1.068 147 R CA -0.324 55.708 56.100 -0.112 0.000 1.180 147 R CB 0.454 30.713 30.300 -0.068 0.000 1.077 147 R HN 0.112 nan 8.270 nan 0.000 0.513 148 I N 2.762 123.176 120.570 -0.259 0.000 2.634 148 I HA 0.107 4.276 4.170 -0.000 0.000 0.284 148 I C -1.802 174.054 176.117 -0.434 0.000 1.124 148 I CA -1.843 59.170 61.300 -0.479 0.000 1.417 148 I CB 0.633 38.374 38.000 -0.432 0.000 1.396 148 I HN 0.286 nan 8.210 nan 0.000 0.571 149 P HA 0.115 nan 4.420 nan 0.000 0.272 149 P C -0.856 176.243 177.300 -0.335 0.000 1.230 149 P CA -0.397 62.333 63.100 -0.616 0.000 0.788 149 P CB 0.415 31.336 31.700 -1.299 0.000 0.949 150 N N 1.942 120.527 118.700 -0.192 0.000 2.424 150 N HA 0.076 4.816 4.740 -0.000 0.000 0.257 150 N C 0.354 175.936 175.510 0.121 0.000 1.250 150 N CA 0.090 53.095 53.050 -0.075 0.000 0.946 150 N CB -0.250 38.205 38.487 -0.055 0.000 1.175 150 N HN 0.398 nan 8.380 nan 0.000 0.477 151 N N -0.921 117.829 118.700 0.084 0.000 2.747 151 N HA -0.154 4.586 4.740 -0.000 0.000 0.249 151 N C -0.852 174.831 175.510 0.289 0.000 1.107 151 N CA 0.724 53.866 53.050 0.153 0.000 0.707 151 N CB -1.581 37.011 38.487 0.174 0.000 1.054 151 N HN 0.470 nan 8.380 nan 0.000 0.555 152 T N 0.683 115.397 114.554 0.268 0.000 2.884 152 T HA 0.139 4.488 4.350 -0.000 0.000 0.298 152 T C 1.700 176.560 174.700 0.267 0.000 0.998 152 T CA 0.035 62.320 62.100 0.309 0.000 1.124 152 T CB 1.327 70.286 68.868 0.152 0.000 0.931 152 T HN 0.155 nan 8.240 nan 0.000 0.531 153 Q N 1.829 121.779 119.800 0.250 0.000 2.204 153 Q HA 0.147 4.487 4.340 -0.000 0.000 0.198 153 Q C 0.187 176.351 176.000 0.274 0.000 0.946 153 Q CA 0.533 56.494 55.803 0.263 0.000 0.859 153 Q CB 0.697 29.558 28.738 0.205 0.000 0.946 153 Q HN 0.696 nan 8.270 nan 0.000 0.474 154 W N -0.292 120.980 121.300 -0.046 0.000 3.419 154 W HA 0.571 5.231 4.660 -0.001 0.000 0.298 154 W C -2.294 174.152 176.519 -0.121 0.000 1.260 154 W CA -0.733 56.541 57.345 -0.119 0.000 1.199 154 W CB 1.180 30.511 29.460 -0.215 0.000 1.349 154 W HN -0.071 nan 8.180 nan 0.000 0.557 155 I N 3.618 123.432 120.570 -1.260 0.000 2.918 155 I HA 0.613 4.783 4.170 -0.000 0.000 0.301 155 I C -1.622 173.886 176.117 -1.016 0.000 1.312 155 I CA -0.046 60.716 61.300 -0.897 0.000 1.007 155 I CB 2.563 39.999 38.000 -0.941 0.000 1.281 155 I HN 0.365 nan 8.210 nan 0.000 0.440 156 T N 4.328 118.595 114.554 -0.478 0.000 3.047 156 T HA 0.405 4.754 4.350 -0.000 0.000 0.340 156 T C -1.774 172.940 174.700 0.024 0.000 1.421 156 T CA -0.306 61.671 62.100 -0.205 0.000 1.090 156 T CB 0.588 69.548 68.868 0.153 0.000 1.292 156 T HN 0.535 nan 8.240 nan 0.000 0.480 157 W N 2.880 124.244 121.300 0.106 0.000 2.129 157 W HA 0.487 5.146 4.660 -0.000 0.000 0.349 157 W C 1.264 177.714 176.519 -0.115 0.000 1.279 157 W CA -0.593 56.775 57.345 0.040 0.000 1.306 157 W CB 0.624 30.103 29.460 0.031 0.000 1.140 157 W HN 0.793 nan 8.180 nan 0.000 0.613 158 S N 1.019 116.565 115.700 -0.255 0.000 2.608 158 S HA 0.151 4.620 4.470 -0.000 0.000 0.261 158 S C -1.911 172.501 174.600 -0.314 0.000 1.314 158 S CA -0.948 56.601 58.200 -1.084 0.000 0.992 158 S CB 0.525 62.928 63.200 -1.328 0.000 0.935 158 S HN 0.278 nan 8.310 nan 0.000 0.564 159 P HA 0.102 nan 4.420 nan 0.000 0.229 159 P C 0.031 177.300 177.300 -0.051 0.000 1.160 159 P CA 0.450 63.534 63.100 -0.026 0.000 0.777 159 P CB -0.125 31.593 31.700 0.030 0.000 0.814 160 V N -6.553 113.280 119.914 -0.135 0.000 3.078 160 V HA 0.894 5.013 4.120 -0.000 0.000 0.311 160 V C 0.462 176.457 176.094 -0.166 0.000 1.138 160 V CA -0.340 61.894 62.300 -0.111 0.000 1.007 160 V CB 1.100 32.867 31.823 -0.094 0.000 1.045 160 V HN 0.356 nan 8.190 nan 0.000 0.432 161 G N 2.112 110.831 108.800 -0.134 0.000 2.509 161 G HA2 -0.155 3.805 3.960 -0.000 0.000 0.259 161 G HA3 -0.155 3.805 3.960 -0.000 0.000 0.259 161 G C 0.211 175.025 174.900 -0.143 0.000 1.169 161 G CA 0.900 45.887 45.100 -0.188 0.000 0.953 161 G HN 2.626 nan 8.290 nan 0.000 0.563 162 H N -0.608 118.438 119.070 -0.039 0.000 3.411 162 H HA 0.407 4.963 4.556 -0.000 0.000 0.232 162 H C 0.125 175.611 175.328 0.263 0.000 1.322 162 H CA -0.114 55.951 56.048 0.028 0.000 1.077 162 H CB -0.431 29.364 29.762 0.055 0.000 2.741 162 H HN 0.544 nan 8.280 nan 0.000 0.596 163 K N 1.515 121.966 120.400 0.085 0.000 2.107 163 K HA 0.589 4.908 4.320 -0.000 0.000 0.251 163 K C -0.375 176.384 176.600 0.264 0.000 1.012 163 K CA -0.514 55.833 56.287 0.100 0.000 0.920 163 K CB 1.705 34.116 32.500 -0.147 0.000 1.033 163 K HN 0.114 nan 8.250 nan 0.000 0.478 164 L N 0.772 122.155 121.223 0.265 0.000 2.388 164 L HA 0.618 4.957 4.340 -0.000 0.000 0.264 164 L C -1.048 176.034 176.870 0.354 0.000 0.998 164 L CA -0.923 54.040 54.840 0.206 0.000 0.817 164 L CB 2.212 44.229 42.059 -0.071 0.000 1.338 164 L HN 0.708 nan 8.230 nan 0.000 0.414 165 A N 2.146 125.165 122.820 0.331 0.000 2.371 165 A HA 0.862 5.182 4.320 -0.000 0.000 0.311 165 A C -1.617 175.996 177.584 0.048 0.000 1.068 165 A CA -0.378 51.714 52.037 0.092 0.000 0.744 165 A CB 1.288 20.215 19.000 -0.121 0.000 1.239 165 A HN 0.657 nan 8.150 nan 0.000 0.435 166 Y N -0.842 119.423 120.300 -0.059 0.000 2.625 166 Y HA 0.774 5.324 4.550 -0.000 0.000 0.338 166 Y C -1.255 174.666 175.900 0.035 0.000 1.123 166 Y CA -1.604 56.444 58.100 -0.087 0.000 1.046 166 Y CB 1.046 39.390 38.460 -0.193 0.000 1.299 166 Y HN 0.419 nan 8.280 nan 0.000 0.464 167 V N 1.762 121.840 119.914 0.274 0.000 2.495 167 V HA 0.411 4.530 4.120 -0.000 0.000 0.298 167 V C -1.512 174.819 176.094 0.395 0.000 1.031 167 V CA -0.598 61.832 62.300 0.216 0.000 0.871 167 V CB 1.441 33.307 31.823 0.071 0.000 0.988 167 V HN 0.869 nan 8.190 nan 0.000 0.432 168 W N 4.776 126.193 121.300 0.195 0.000 3.097 168 W HA 0.460 5.120 4.660 -0.001 0.000 0.335 168 W C 0.257 176.840 176.519 0.106 0.000 1.114 168 W CA -0.769 56.656 57.345 0.135 0.000 1.231 168 W CB 1.278 30.790 29.460 0.086 0.000 1.388 168 W HN 0.781 nan 8.180 nan 0.000 0.485 169 N N 5.250 123.580 118.700 -0.617 0.000 2.721 169 N HA -0.356 4.383 4.740 -0.000 0.000 0.249 169 N C 0.171 175.517 175.510 -0.273 0.000 1.072 169 N CA 1.064 53.754 53.050 -0.599 0.000 0.710 169 N CB -1.140 36.763 38.487 -0.973 0.000 0.993 169 N HN 0.847 nan 8.380 nan 0.000 0.547 170 N N -1.814 116.793 118.700 -0.155 0.000 2.828 170 N HA -0.176 4.564 4.740 -0.000 0.000 0.248 170 N C -1.315 174.119 175.510 -0.126 0.000 1.044 170 N CA 1.052 54.031 53.050 -0.120 0.000 0.851 170 N CB -0.273 38.091 38.487 -0.204 0.000 1.136 170 N HN 0.422 nan 8.380 nan 0.000 0.572 171 D N 0.317 120.655 120.400 -0.103 0.000 2.433 171 D HA 0.491 5.131 4.640 -0.000 0.000 0.236 171 D C 0.006 176.156 176.300 -0.249 0.000 1.026 171 D CA -0.376 53.484 54.000 -0.233 0.000 0.884 171 D CB 1.620 42.223 40.800 -0.329 0.000 1.384 171 D HN 0.018 nan 8.370 nan 0.000 0.477 172 I N 1.644 121.896 120.570 -0.531 0.000 2.385 172 I HA 0.242 4.412 4.170 -0.000 0.000 0.294 172 I C -0.715 174.910 176.117 -0.819 0.000 0.988 172 I CA -0.465 60.507 61.300 -0.547 0.000 1.265 172 I CB 0.616 38.231 38.000 -0.641 0.000 1.388 172 I HN 0.150 nan 8.210 nan 0.000 0.480 173 Y N 4.187 124.100 120.300 -0.644 0.000 2.462 173 Y HA 0.615 5.165 4.550 -0.000 0.000 0.346 173 Y C -0.367 175.169 175.900 -0.606 0.000 0.976 173 Y CA -0.970 56.703 58.100 -0.713 0.000 1.044 173 Y CB 2.029 39.825 38.460 -1.105 0.000 1.230 173 Y HN 0.107 nan 8.280 nan 0.000 0.455 174 V N 3.280 123.075 119.914 -0.197 0.000 2.487 174 V HA 0.433 4.553 4.120 -0.000 0.000 0.298 174 V C -0.725 175.402 176.094 0.055 0.000 1.028 174 V CA -1.311 60.964 62.300 -0.042 0.000 0.860 174 V CB 1.740 33.564 31.823 0.000 0.000 0.991 174 V HN 0.624 nan 8.190 nan 0.000 0.427 175 K N 3.692 124.169 120.400 0.128 0.000 2.449 175 K HA 0.418 4.738 4.320 -0.000 0.000 0.257 175 K C 0.624 177.307 176.600 0.138 0.000 0.989 175 K CA -0.265 56.099 56.287 0.129 0.000 0.916 175 K CB 1.233 33.817 32.500 0.140 0.000 1.136 175 K HN 0.636 nan 8.250 nan 0.000 0.439 176 N N 1.380 120.150 118.700 0.115 0.000 2.188 176 N HA -0.107 4.633 4.740 -0.000 0.000 0.184 176 N C -0.259 175.325 175.510 0.122 0.000 1.018 176 N CA 0.922 54.032 53.050 0.101 0.000 0.858 176 N CB 0.361 38.891 38.487 0.072 0.000 0.989 176 N HN 0.427 nan 8.380 nan 0.000 0.426 177 E N -0.714 119.548 120.200 0.103 0.000 2.248 177 E HA 0.192 4.542 4.350 -0.000 0.000 0.267 177 E C -1.952 174.630 176.600 -0.030 0.000 0.877 177 E CA -1.970 54.483 56.400 0.089 0.000 0.759 177 E CB 1.873 31.625 29.700 0.086 0.000 1.182 177 E HN -0.118 nan 8.360 nan 0.000 0.418 178 P HA -0.182 nan 4.420 nan 0.000 0.216 178 P C 0.816 178.020 177.300 -0.159 0.000 1.150 178 P CA 1.405 64.324 63.100 -0.301 0.000 0.843 178 P CB 0.310 31.523 31.700 -0.811 0.000 0.787 179 N N -1.807 116.829 118.700 -0.107 0.000 2.280 179 N HA 0.004 4.743 4.740 -0.000 0.000 0.192 179 N C 0.202 175.701 175.510 -0.019 0.000 1.109 179 N CA 0.421 53.444 53.050 -0.044 0.000 0.855 179 N CB -0.067 38.411 38.487 -0.015 0.000 0.974 179 N HN 0.087 nan 8.380 nan 0.000 0.482 180 L N 0.928 122.145 121.223 -0.010 0.000 2.365 180 L HA 0.385 4.724 4.340 -0.000 0.000 0.267 180 L C 0.572 177.450 176.870 0.013 0.000 1.033 180 L CA -0.562 54.284 54.840 0.010 0.000 0.802 180 L CB 1.345 43.421 42.059 0.028 0.000 1.267 180 L HN -0.050 nan 8.230 nan 0.000 0.457 181 S N 0.436 116.149 115.700 0.021 0.000 2.568 181 S HA 0.157 4.626 4.470 -0.000 0.000 0.282 181 S C 0.319 174.948 174.600 0.050 0.000 1.338 181 S CA -0.466 57.750 58.200 0.026 0.000 1.045 181 S CB 0.592 63.811 63.200 0.032 0.000 0.873 181 S HN 0.677 nan 8.310 nan 0.000 0.516 182 S N 1.779 117.517 115.700 0.063 0.000 2.632 182 S HA 0.470 4.939 4.470 -0.000 0.000 0.271 182 S C -0.531 174.129 174.600 0.101 0.000 1.260 182 S CA -0.837 57.422 58.200 0.098 0.000 1.010 182 S CB 1.035 64.325 63.200 0.151 0.000 0.965 182 S HN 0.635 nan 8.310 nan 0.000 0.534 183 Q N 1.289 121.131 119.800 0.070 0.000 2.348 183 Q HA 0.360 4.699 4.340 -0.000 0.000 0.265 183 Q C -0.465 175.486 176.000 -0.082 0.000 0.998 183 Q CA -0.483 55.342 55.803 0.036 0.000 0.831 183 Q CB 1.173 29.930 28.738 0.031 0.000 1.251 183 Q HN 0.734 nan 8.270 nan 0.000 0.456 184 R N 4.515 124.915 120.500 -0.167 0.000 2.537 184 R HA 0.095 4.435 4.340 -0.000 0.000 0.280 184 R C 0.050 176.055 176.300 -0.491 0.000 1.058 184 R CA 0.001 55.691 56.100 -0.683 0.000 1.057 184 R CB 0.454 30.146 30.300 -1.012 0.000 0.973 184 R HN 0.800 nan 8.270 nan 0.000 0.438 185 I N 1.934 122.116 120.570 -0.646 0.000 3.172 185 I HA -0.008 4.162 4.170 -0.000 0.000 0.278 185 I C 0.982 176.870 176.117 -0.381 0.000 1.174 185 I CA 0.918 61.979 61.300 -0.399 0.000 1.445 185 I CB -0.258 37.481 38.000 -0.434 0.000 1.175 185 I HN 0.656 nan 8.210 nan 0.000 0.447 186 T N -3.835 110.338 114.554 -0.635 0.000 2.907 186 T HA 0.409 4.758 4.350 -0.000 0.000 0.292 186 T C -0.713 173.607 174.700 -0.634 0.000 1.043 186 T CA -0.487 61.352 62.100 -0.436 0.000 1.003 186 T CB 1.900 70.510 68.868 -0.430 0.000 1.084 186 T HN 0.137 nan 8.240 nan 0.000 0.483 187 W N 0.298 121.486 121.300 -0.186 0.000 2.518 187 W HA 0.248 4.908 4.660 0.000 0.000 0.352 187 W C 1.822 178.283 176.519 -0.096 0.000 0.952 187 W CA -0.104 57.164 57.345 -0.127 0.000 1.624 187 W CB 0.068 29.472 29.460 -0.094 0.000 1.135 187 W HN 0.916 nan 8.180 nan 0.000 0.540 188 T N -2.677 111.904 114.554 0.044 0.000 3.086 188 T HA 0.278 4.628 4.350 -0.000 0.000 0.250 188 T C 1.246 175.927 174.700 -0.032 0.000 1.074 188 T CA 0.191 62.305 62.100 0.023 0.000 0.988 188 T CB -0.157 68.729 68.868 0.030 0.000 0.988 188 T HN 0.015 nan 8.240 nan 0.000 0.530 189 G N 1.405 110.153 108.800 -0.085 0.000 2.265 189 G HA2 0.344 4.304 3.960 -0.000 0.000 0.240 189 G HA3 0.344 4.304 3.960 -0.000 0.000 0.240 189 G C -0.585 174.235 174.900 -0.132 0.000 1.270 189 G CA -0.354 44.669 45.100 -0.128 0.000 0.901 189 G HN 0.619 nan 8.290 nan 0.000 0.507 190 K N 1.760 122.053 120.400 -0.178 0.000 2.565 190 K HA 0.221 4.541 4.320 -0.000 0.000 0.251 190 K C -0.251 176.206 176.600 -0.238 0.000 0.956 190 K CA -0.720 55.470 56.287 -0.163 0.000 0.809 190 K CB 1.640 34.082 32.500 -0.096 0.000 1.267 190 K HN 0.592 nan 8.250 nan 0.000 0.438 191 E N 3.522 123.605 120.200 -0.195 0.000 2.529 191 E HA -0.137 4.213 4.350 -0.000 0.000 0.259 191 E C -0.394 176.124 176.600 -0.136 0.000 0.966 191 E CA 1.064 57.355 56.400 -0.182 0.000 0.937 191 E CB 0.065 29.698 29.700 -0.113 0.000 0.923 191 E HN 0.796 nan 8.360 nan 0.000 0.468 192 N N 1.579 120.209 118.700 -0.116 0.000 2.778 192 N HA -0.265 4.475 4.740 -0.000 0.000 0.249 192 N C 0.141 175.697 175.510 0.075 0.000 1.069 192 N CA 0.547 53.644 53.050 0.078 0.000 0.831 192 N CB -0.435 38.104 38.487 0.087 0.000 1.142 192 N HN 0.301 nan 8.380 nan 0.000 0.573 193 V N -0.813 119.044 119.914 -0.094 0.000 3.161 193 V HA 0.274 4.394 4.120 -0.000 0.000 0.221 193 V C 0.215 176.338 176.094 0.048 0.000 1.296 193 V CA 0.444 62.758 62.300 0.023 0.000 1.306 193 V CB 0.745 32.565 31.823 -0.005 0.000 1.171 193 V HN 0.086 nan 8.190 nan 0.000 0.513 194 I N 1.081 121.576 120.570 -0.126 0.000 2.418 194 I HA 0.451 4.621 4.170 -0.000 0.000 0.287 194 I C -1.547 174.472 176.117 -0.164 0.000 1.008 194 I CA -0.499 60.793 61.300 -0.013 0.000 1.104 194 I CB 1.198 39.199 38.000 0.002 0.000 1.264 194 I HN 0.236 nan 8.210 nan 0.000 0.438 195 Y N 4.654 125.032 120.300 0.130 0.000 2.334 195 Y HA 0.414 4.964 4.550 -0.000 0.000 0.336 195 Y C 0.378 176.340 175.900 0.103 0.000 0.960 195 Y CA -0.802 57.378 58.100 0.134 0.000 1.164 195 Y CB 1.128 39.733 38.460 0.241 0.000 1.155 195 Y HN 0.407 nan 8.280 nan 0.000 0.478 196 N N 2.052 120.818 118.700 0.110 0.000 2.417 196 N HA 0.380 5.120 4.740 -0.000 0.000 0.274 196 N C 0.797 176.262 175.510 -0.075 0.000 0.987 196 N CA 0.400 53.452 53.050 0.004 0.000 0.912 196 N CB 1.923 40.291 38.487 -0.198 0.000 1.177 196 N HN 0.969 nan 8.380 nan 0.000 0.490 197 G N 0.450 109.240 108.800 -0.016 0.000 2.199 197 G HA2 -0.273 3.687 3.960 -0.000 0.000 0.254 197 G HA3 -0.273 3.687 3.960 -0.000 0.000 0.254 197 G C -0.003 174.790 174.900 -0.178 0.000 0.982 197 G CA 0.702 45.729 45.100 -0.121 0.000 0.632 197 G HN 0.728 nan 8.290 nan 0.000 0.529 198 V N -1.944 117.918 119.914 -0.087 0.000 3.078 198 V HA 0.929 5.048 4.120 -0.000 0.000 0.311 198 V C 0.327 176.422 176.094 0.002 0.000 1.138 198 V CA 0.036 62.160 62.300 -0.294 0.000 1.007 198 V CB 1.462 32.807 31.823 -0.797 0.000 1.045 198 V HN 1.186 nan 8.190 nan 0.000 0.432 199 T N 0.049 114.486 114.554 -0.196 0.000 2.849 199 T HA 0.479 4.829 4.350 -0.000 0.000 0.284 199 T C -0.062 174.305 174.700 -0.554 0.000 1.004 199 T CA -0.039 61.676 62.100 -0.640 0.000 1.021 199 T CB 1.067 69.566 68.868 -0.616 0.000 1.013 199 T HN 1.111 nan 8.240 nan 0.000 0.527 200 D N 0.019 119.864 120.400 -0.925 0.000 2.478 200 D HA 0.039 4.679 4.640 -0.000 0.000 0.274 200 D C 0.953 177.049 176.300 -0.339 0.000 1.234 200 D CA -1.068 52.417 54.000 -0.859 0.000 1.069 200 D CB 0.020 40.357 40.800 -0.772 0.000 1.113 200 D HN 0.701 nan 8.370 nan 0.000 0.571 201 W N -0.123 121.013 121.300 -0.272 0.000 2.354 201 W HA -0.173 4.487 4.660 -0.001 0.000 0.315 201 W C 2.155 178.497 176.519 -0.295 0.000 1.206 201 W CA 2.033 59.227 57.345 -0.251 0.000 1.290 201 W CB -0.404 28.863 29.460 -0.322 0.000 1.152 201 W HN 0.174 nan 8.180 nan 0.000 0.489 202 V N -0.099 119.807 119.914 -0.013 0.000 2.667 202 V HA -0.268 3.852 4.120 -0.000 0.000 0.252 202 V C 1.775 177.616 176.094 -0.423 0.000 1.065 202 V CA 1.821 64.004 62.300 -0.196 0.000 1.083 202 V CB -0.685 31.050 31.823 -0.146 0.000 0.692 202 V HN 0.290 nan 8.190 nan 0.000 0.468 203 Y N 0.616 120.599 120.300 -0.528 0.000 2.263 203 Y HA -0.131 4.419 4.550 -0.000 0.000 0.292 203 Y C 2.554 178.113 175.900 -0.569 0.000 1.130 203 Y CA 2.027 59.727 58.100 -0.666 0.000 1.179 203 Y CB -0.014 37.777 38.460 -1.116 0.000 0.998 203 Y HN 0.389 nan 8.280 nan 0.000 0.532 204 E N 0.398 120.381 120.200 -0.362 0.000 2.031 204 E HA -0.289 4.061 4.350 -0.000 0.000 0.193 204 E C 2.023 178.510 176.600 -0.188 0.000 0.994 204 E CA 1.567 57.840 56.400 -0.212 0.000 0.800 204 E CB -0.019 29.576 29.700 -0.176 0.000 0.752 204 E HN 0.401 nan 8.360 nan 0.000 0.447 205 E N 0.256 120.152 120.200 -0.506 0.000 2.072 205 E HA -0.156 4.194 4.350 -0.000 0.000 0.190 205 E C 1.586 178.053 176.600 -0.220 0.000 0.982 205 E CA 1.554 57.676 56.400 -0.464 0.000 0.803 205 E CB 0.167 29.238 29.700 -1.049 0.000 0.755 205 E HN 0.254 nan 8.360 nan 0.000 0.453 206 E N -0.849 119.194 120.200 -0.262 0.000 2.473 206 E HA 0.102 4.452 4.350 -0.000 0.000 0.204 206 E C 1.566 178.080 176.600 -0.143 0.000 0.994 206 E CA 0.314 56.628 56.400 -0.144 0.000 0.945 206 E CB 1.171 30.768 29.700 -0.171 0.000 0.990 206 E HN 0.200 nan 8.360 nan 0.000 0.493 207 V N -0.145 119.661 119.914 -0.180 0.000 2.840 207 V HA 0.034 4.154 4.120 -0.000 0.000 0.234 207 V C 1.523 177.793 176.094 0.295 0.000 1.159 207 V CA 0.553 62.824 62.300 -0.049 0.000 1.194 207 V CB -0.195 31.455 31.823 -0.288 0.000 0.971 207 V HN 0.031 nan 8.190 nan 0.000 0.494 208 F N 0.726 120.677 119.950 0.001 0.000 2.569 208 F HA 0.297 4.824 4.527 -0.000 0.000 0.295 208 F C 1.679 177.434 175.800 -0.075 0.000 1.115 208 F CA 0.066 58.077 58.000 0.018 0.000 1.450 208 F CB -0.968 38.064 39.000 0.052 0.000 1.107 208 F HN 0.160 nan 8.300 nan 0.000 0.563 209 S N 0.198 115.937 115.700 0.064 0.000 3.581 209 S HA 0.037 4.507 4.470 -0.000 0.000 0.354 209 S C 0.135 174.343 174.600 -0.654 0.000 1.059 209 S CA 0.501 58.589 58.200 -0.186 0.000 1.060 209 S CB -1.644 61.508 63.200 -0.081 0.000 0.908 209 S HN 0.697 nan 8.310 nan 0.000 0.475 210 A N -0.615 122.040 122.820 -0.276 0.000 2.597 210 A HA 0.678 4.998 4.320 -0.000 0.000 0.292 210 A C -0.425 177.183 177.584 0.039 0.000 1.057 210 A CA -0.431 51.494 52.037 -0.187 0.000 0.674 210 A CB 0.283 19.212 19.000 -0.117 0.000 1.278 210 A HN 0.406 nan 8.150 nan 0.000 0.416 211 Y N 1.674 121.872 120.300 -0.169 0.000 2.476 211 Y HA 0.180 4.730 4.550 -0.000 0.000 0.283 211 Y C 1.514 177.190 175.900 -0.372 0.000 1.109 211 Y CA 0.711 58.697 58.100 -0.189 0.000 1.246 211 Y CB 0.030 38.419 38.460 -0.118 0.000 1.068 211 Y HN 0.778 nan 8.280 nan 0.000 0.552 212 S N 0.706 115.964 115.700 -0.736 0.000 2.564 212 S HA 0.500 4.970 4.470 -0.000 0.000 0.278 212 S C 0.318 174.533 174.600 -0.641 0.000 1.333 212 S CA -0.102 57.362 58.200 -1.226 0.000 1.048 212 S CB 1.402 63.288 63.200 -2.190 0.000 0.900 212 S HN 0.457 nan 8.310 nan 0.000 0.505 213 A N 3.445 125.880 122.820 -0.643 0.000 2.806 213 A HA 0.575 4.894 4.320 -0.000 0.000 0.266 213 A C -0.418 176.588 177.584 -0.964 0.000 0.926 213 A CA -0.585 51.114 52.037 -0.563 0.000 1.068 213 A CB -0.081 19.021 19.000 0.171 0.000 1.189 213 A HN 0.789 nan 8.150 nan 0.000 0.481 214 L N 0.271 120.765 121.223 -1.215 0.000 2.408 214 L HA 0.629 4.968 4.340 -0.000 0.000 0.268 214 L C -1.268 175.174 176.870 -0.712 0.000 0.986 214 L CA -0.555 53.884 54.840 -0.668 0.000 0.820 214 L CB 2.107 44.002 42.059 -0.273 0.000 1.303 214 L HN 0.462 nan 8.230 nan 0.000 0.411 215 W N 2.320 123.715 121.300 0.159 0.000 2.728 215 W HA 0.215 4.874 4.660 -0.001 0.000 0.324 215 W C -1.084 175.743 176.519 0.514 0.000 1.012 215 W CA -1.055 56.497 57.345 0.345 0.000 1.279 215 W CB 1.211 30.869 29.460 0.331 0.000 1.289 215 W HN 0.484 nan 8.180 nan 0.000 0.418 216 W N 2.602 124.185 121.300 0.473 0.000 2.181 216 W HA 0.198 4.858 4.660 -0.000 0.000 0.335 216 W C 1.353 177.802 176.519 -0.117 0.000 1.310 216 W CA 0.420 57.903 57.345 0.230 0.000 1.226 216 W CB 0.883 30.427 29.460 0.140 0.000 1.155 216 W HN 0.180 nan 8.180 nan 0.000 0.565 217 S N 2.682 118.212 115.700 -0.283 0.000 2.600 217 S HA 0.190 4.660 4.470 -0.000 0.000 0.265 217 S C -1.807 172.524 174.600 -0.447 0.000 1.325 217 S CA -1.058 56.322 58.200 -1.367 0.000 1.002 217 S CB 1.115 63.552 63.200 -1.271 0.000 0.921 217 S HN 0.287 nan 8.310 nan 0.000 0.554 218 P HA -0.118 nan 4.420 nan 0.000 0.216 218 P C 0.782 178.033 177.300 -0.081 0.000 1.154 218 P CA 1.271 64.323 63.100 -0.080 0.000 0.865 218 P CB -0.004 31.696 31.700 -0.000 0.000 0.789 219 N N -2.095 116.538 118.700 -0.111 0.000 2.251 219 N HA 0.105 4.844 4.740 -0.000 0.000 0.217 219 N C 1.002 176.420 175.510 -0.154 0.000 1.124 219 N CA 0.762 53.747 53.050 -0.109 0.000 0.843 219 N CB 0.049 38.489 38.487 -0.079 0.000 1.024 219 N HN 0.070 nan 8.380 nan 0.000 0.501 220 G N 0.182 108.888 108.800 -0.157 0.000 2.168 220 G HA2 -0.338 3.622 3.960 -0.000 0.000 0.263 220 G HA3 -0.338 3.622 3.960 -0.000 0.000 0.263 220 G C 1.156 176.050 174.900 -0.011 0.000 0.977 220 G CA 1.219 46.225 45.100 -0.156 0.000 0.659 220 G HN 0.360 nan 8.290 nan 0.000 0.533 221 T N -0.251 114.213 114.554 -0.150 0.000 2.737 221 T HA 0.207 4.556 4.350 -0.000 0.000 0.265 221 T C 0.830 175.308 174.700 -0.370 0.000 1.038 221 T CA 1.370 63.244 62.100 -0.376 0.000 1.144 221 T CB -0.058 68.352 68.868 -0.764 0.000 0.866 221 T HN 0.315 nan 8.240 nan 0.000 0.434 222 F N 0.241 120.246 119.950 0.092 0.000 2.492 222 F HA 0.656 5.183 4.527 -0.001 0.000 0.327 222 F C -0.318 175.601 175.800 0.199 0.000 1.079 222 F CA -1.759 56.338 58.000 0.162 0.000 0.967 222 F CB 1.253 40.383 39.000 0.217 0.000 1.169 222 F HN -0.133 nan 8.300 nan 0.000 0.472 223 L N 2.652 124.071 121.223 0.327 0.000 2.377 223 L HA 0.806 5.146 4.340 -0.000 0.000 0.270 223 L C -0.628 176.369 176.870 0.212 0.000 0.991 223 L CA -0.584 54.276 54.840 0.032 0.000 0.851 223 L CB 0.664 42.440 42.059 -0.471 0.000 1.218 223 L HN 0.682 nan 8.230 nan 0.000 0.420 224 A N 4.650 127.689 122.820 0.365 0.000 2.293 224 A HA 0.768 5.088 4.320 -0.000 0.000 0.302 224 A C -1.292 176.431 177.584 0.231 0.000 1.119 224 A CA -0.181 51.930 52.037 0.122 0.000 0.823 224 A CB 0.540 19.592 19.000 0.087 0.000 1.097 224 A HN 0.922 nan 8.150 nan 0.000 0.491 225 Y N -1.819 118.380 120.300 -0.169 0.000 2.609 225 Y HA 0.743 5.293 4.550 -0.001 0.000 0.336 225 Y C -0.429 175.460 175.900 -0.019 0.000 1.129 225 Y CA -0.881 57.216 58.100 -0.006 0.000 1.040 225 Y CB 0.884 39.278 38.460 -0.110 0.000 1.310 225 Y HN 0.938 nan 8.280 nan 0.000 0.460 226 A N 2.281 125.267 122.820 0.276 0.000 2.340 226 A HA 0.660 4.980 4.320 -0.000 0.000 0.331 226 A C -1.259 176.226 177.584 -0.164 0.000 1.140 226 A CA -0.872 51.145 52.037 -0.034 0.000 0.801 226 A CB 1.761 20.756 19.000 -0.009 0.000 1.234 226 A HN 0.818 nan 8.150 nan 0.000 0.469 227 Q N 1.248 120.856 119.800 -0.320 0.000 2.331 227 Q HA 0.600 4.940 4.340 -0.000 0.000 0.267 227 Q C -2.006 173.691 176.000 -0.505 0.000 1.006 227 Q CA -0.382 55.326 55.803 -0.157 0.000 0.818 227 Q CB 0.952 29.825 28.738 0.225 0.000 1.276 227 Q HN 0.584 nan 8.270 nan 0.000 0.450 228 F N 2.502 122.528 119.950 0.126 0.000 2.443 228 F HA 0.402 4.928 4.527 -0.000 0.000 0.335 228 F C 0.419 176.345 175.800 0.210 0.000 1.104 228 F CA -0.890 57.154 58.000 0.074 0.000 1.013 228 F CB 1.357 40.311 39.000 -0.078 0.000 1.136 228 F HN 0.444 nan 8.300 nan 0.000 0.470 229 N N 2.071 120.955 118.700 0.307 0.000 2.524 229 N HA 0.220 4.959 4.740 -0.000 0.000 0.261 229 N C -1.001 174.656 175.510 0.245 0.000 0.998 229 N CA -0.348 52.851 53.050 0.248 0.000 0.915 229 N CB 1.011 39.591 38.487 0.155 0.000 1.187 229 N HN 0.549 nan 8.380 nan 0.000 0.507 230 D N 1.394 121.962 120.400 0.279 0.000 2.463 230 D HA 0.143 4.782 4.640 -0.000 0.000 0.224 230 D C 1.170 177.570 176.300 0.166 0.000 1.174 230 D CA 0.096 54.237 54.000 0.234 0.000 0.829 230 D CB 0.593 41.578 40.800 0.309 0.000 0.993 230 D HN 0.449 nan 8.370 nan 0.000 0.497 231 T N 0.210 114.844 114.554 0.133 0.000 2.653 231 T HA -0.202 4.148 4.350 -0.000 0.000 0.268 231 T C 1.446 176.192 174.700 0.075 0.000 1.035 231 T CA 1.306 63.460 62.100 0.091 0.000 1.154 231 T CB -0.033 68.877 68.868 0.072 0.000 0.862 231 T HN 0.304 nan 8.240 nan 0.000 0.441 232 E N 0.274 120.519 120.200 0.075 0.000 2.474 232 E HA 0.130 4.479 4.350 -0.000 0.000 0.195 232 E C -0.267 176.372 176.600 0.064 0.000 1.039 232 E CA -0.227 56.208 56.400 0.059 0.000 0.881 232 E CB 0.487 30.215 29.700 0.048 0.000 0.970 232 E HN 0.219 nan 8.360 nan 0.000 0.486 233 V N 3.637 123.601 119.914 0.084 0.000 2.508 233 V HA 0.093 4.213 4.120 -0.000 0.000 0.281 233 V C -2.020 174.120 176.094 0.077 0.000 1.041 233 V CA -1.493 60.860 62.300 0.088 0.000 1.016 233 V CB 0.366 32.256 31.823 0.112 0.000 0.984 233 V HN 0.025 nan 8.190 nan 0.000 0.478 234 P HA 0.239 nan 4.420 nan 0.000 0.270 234 P C -0.707 176.622 177.300 0.047 0.000 1.223 234 P CA -0.242 62.888 63.100 0.050 0.000 0.785 234 P CB 0.499 32.228 31.700 0.048 0.000 0.923 235 L N 1.968 123.198 121.223 0.012 0.000 2.309 235 L HA 0.456 4.795 4.340 -0.000 0.000 0.282 235 L C 0.347 177.165 176.870 -0.088 0.000 1.036 235 L CA -0.979 53.849 54.840 -0.021 0.000 0.806 235 L CB 1.044 43.085 42.059 -0.031 0.000 1.220 235 L HN 0.300 nan 8.230 nan 0.000 0.429 236 I N 2.482 122.951 120.570 -0.169 0.000 2.472 236 I HA 0.255 4.424 4.170 -0.000 0.000 0.290 236 I C -0.345 175.618 176.117 -0.257 0.000 1.016 236 I CA 0.338 61.443 61.300 -0.324 0.000 1.348 236 I CB 0.856 38.397 38.000 -0.765 0.000 1.417 236 I HN 0.578 nan 8.210 nan 0.000 0.521 237 E N 7.091 127.163 120.200 -0.214 0.000 2.272 237 E HA 0.507 4.857 4.350 -0.000 0.000 0.269 237 E C -1.830 174.698 176.600 -0.120 0.000 0.877 237 E CA -0.610 55.661 56.400 -0.216 0.000 0.755 237 E CB 2.175 31.783 29.700 -0.155 0.000 1.192 237 E HN 0.576 nan 8.360 nan 0.000 0.422 238 Y N -1.886 118.317 120.300 -0.162 0.000 2.609 238 Y HA 0.523 5.073 4.550 -0.000 0.000 0.336 238 Y C -0.722 175.096 175.900 -0.136 0.000 1.129 238 Y CA -1.245 56.766 58.100 -0.148 0.000 1.040 238 Y CB 0.811 39.185 38.460 -0.143 0.000 1.310 238 Y HN 0.206 nan 8.280 nan 0.000 0.460 239 S N 2.000 117.684 115.700 -0.027 0.000 2.580 239 S HA 0.485 4.954 4.470 -0.000 0.000 0.274 239 S C -1.363 173.058 174.600 -0.298 0.000 1.329 239 S CA -0.354 57.677 58.200 -0.283 0.000 1.036 239 S CB 0.475 63.372 63.200 -0.506 0.000 0.919 239 S HN 0.554 nan 8.310 nan 0.000 0.515 240 F N 2.119 121.770 119.950 -0.498 0.000 2.536 240 F HA 0.431 4.958 4.527 -0.000 0.000 0.322 240 F C -0.338 175.207 175.800 -0.425 0.000 1.144 240 F CA -0.879 56.935 58.000 -0.310 0.000 0.924 240 F CB 0.817 39.770 39.000 -0.079 0.000 1.181 240 F HN 0.643 nan 8.300 nan 0.000 0.438 241 Y N 2.825 122.872 120.300 -0.421 0.000 2.397 241 Y HA 0.132 4.682 4.550 -0.000 0.000 0.292 241 Y C 1.720 177.537 175.900 -0.138 0.000 1.115 241 Y CA 1.148 59.113 58.100 -0.224 0.000 1.208 241 Y CB -0.506 37.811 38.460 -0.238 0.000 1.046 241 Y HN 0.752 nan 8.280 nan 0.000 0.552 242 S N -0.162 115.436 115.700 -0.171 0.000 3.633 242 S HA -0.315 4.155 4.470 -0.000 0.000 0.637 242 S C -0.192 174.453 174.600 0.075 0.000 2.289 242 S CA 0.160 58.428 58.200 0.113 0.000 2.476 242 S CB -1.399 61.966 63.200 0.276 0.000 0.330 242 S HN 0.621 nan 8.310 nan 0.000 1.787 243 D N 0.989 121.453 120.400 0.107 0.000 2.449 243 D HA 0.171 4.810 4.640 -0.000 0.000 0.236 243 D C 1.411 177.742 176.300 0.051 0.000 1.149 243 D CA 0.984 55.027 54.000 0.071 0.000 0.878 243 D CB 0.429 41.272 40.800 0.072 0.000 1.198 243 D HN 0.538 nan 8.370 nan 0.000 0.446 244 E N 1.195 121.414 120.200 0.031 0.000 2.219 244 E HA -0.268 4.081 4.350 -0.000 0.000 0.198 244 E C 1.528 178.139 176.600 0.019 0.000 0.998 244 E CA 1.327 57.736 56.400 0.016 0.000 0.818 244 E CB -0.005 29.698 29.700 0.005 0.000 0.741 244 E HN 0.572 nan 8.360 nan 0.000 0.477 245 S N 0.095 115.812 115.700 0.029 0.000 2.447 245 S HA -0.091 4.379 4.470 -0.000 0.000 0.233 245 S C 1.153 175.777 174.600 0.040 0.000 1.006 245 S CA 0.064 58.282 58.200 0.030 0.000 0.957 245 S CB -0.219 63.001 63.200 0.034 0.000 0.773 245 S HN 0.260 nan 8.310 nan 0.000 0.507 246 L N 2.349 123.604 121.223 0.054 0.000 2.433 246 L HA 0.130 4.469 4.340 -0.000 0.000 0.275 246 L C 1.629 178.535 176.870 0.059 0.000 1.128 246 L CA 0.038 54.922 54.840 0.074 0.000 0.875 246 L CB 0.886 43.002 42.059 0.095 0.000 1.171 246 L HN 0.448 nan 8.230 nan 0.000 0.463 247 Q N 3.993 123.834 119.800 0.069 0.000 2.079 247 Q HA -0.104 4.236 4.340 -0.000 0.000 0.200 247 Q C -0.629 175.294 176.000 -0.129 0.000 0.974 247 Q CA 1.391 57.186 55.803 -0.013 0.000 0.840 247 Q CB 0.223 28.981 28.738 0.034 0.000 0.898 247 Q HN 0.583 nan 8.270 nan 0.000 0.430 248 Y N 0.529 120.840 120.300 0.020 0.000 2.341 248 Y HA 0.381 4.931 4.550 -0.000 0.000 0.338 248 Y C -2.021 173.886 175.900 0.012 0.000 0.965 248 Y CA -3.009 55.099 58.100 0.014 0.000 1.108 248 Y CB 1.271 39.731 38.460 -0.000 0.000 1.180 248 Y HN 0.144 nan 8.280 nan 0.000 0.458 249 P HA 0.055 nan 4.420 nan 0.000 0.270 249 P C -0.839 176.467 177.300 0.010 0.000 1.223 249 P CA -0.584 62.528 63.100 0.019 0.000 0.785 249 P CB 0.754 32.400 31.700 -0.090 0.000 0.923 250 K N 0.627 121.011 120.400 -0.026 0.000 2.138 250 K HA 0.367 4.687 4.320 -0.000 0.000 0.263 250 K C -0.845 175.702 176.600 -0.088 0.000 0.965 250 K CA -0.387 55.888 56.287 -0.020 0.000 0.868 250 K CB 0.655 33.176 32.500 0.036 0.000 1.083 250 K HN 0.308 nan 8.250 nan 0.000 0.443 251 T N 3.164 117.654 114.554 -0.107 0.000 2.733 251 T HA 0.215 4.565 4.350 -0.000 0.000 0.294 251 T C -0.448 174.118 174.700 -0.223 0.000 0.956 251 T CA -0.579 61.421 62.100 -0.167 0.000 0.987 251 T CB 0.999 69.786 68.868 -0.134 0.000 0.920 251 T HN 0.314 nan 8.240 nan 0.000 0.470 252 V N 6.049 125.729 119.914 -0.389 0.000 2.607 252 V HA 0.516 4.636 4.120 -0.000 0.000 0.289 252 V C 0.387 176.210 176.094 -0.452 0.000 1.053 252 V CA -0.625 61.401 62.300 -0.457 0.000 0.996 252 V CB 0.789 32.165 31.823 -0.745 0.000 0.995 252 V HN 0.777 nan 8.190 nan 0.000 0.476 253 R N 5.137 125.495 120.500 -0.238 0.000 2.575 253 R HA 0.722 5.061 4.340 -0.000 0.000 0.293 253 R C -1.732 174.537 176.300 -0.051 0.000 0.983 253 R CA -0.659 55.341 56.100 -0.167 0.000 0.887 253 R CB 1.787 32.023 30.300 -0.106 0.000 1.184 253 R HN 0.580 nan 8.270 nan 0.000 0.445 254 I N 2.543 123.075 120.570 -0.064 0.000 2.533 254 I HA 0.337 4.507 4.170 -0.000 0.000 0.290 254 I C -2.519 173.621 176.117 0.039 0.000 1.056 254 I CA -2.737 58.576 61.300 0.022 0.000 1.057 254 I CB 3.065 40.992 38.000 -0.121 0.000 1.240 254 I HN 0.269 nan 8.210 nan 0.000 0.423 255 P HA 0.092 nan 4.420 nan 0.000 0.276 255 P C -1.500 175.886 177.300 0.142 0.000 1.264 255 P CA 0.220 63.402 63.100 0.137 0.000 0.769 255 P CB -0.023 31.797 31.700 0.199 0.000 0.840 256 Y N 6.649 126.916 120.300 -0.056 0.000 2.315 256 Y HA 0.406 4.956 4.550 -0.001 0.000 0.324 256 Y C -2.752 173.118 175.900 -0.051 0.000 1.062 256 Y CA -2.904 55.123 58.100 -0.121 0.000 1.159 256 Y CB 1.868 40.141 38.460 -0.313 0.000 1.145 256 Y HN 0.282 nan 8.280 nan 0.000 0.442 257 P HA 0.267 nan 4.420 nan 0.000 0.287 257 P C -0.974 176.374 177.300 0.079 0.000 1.307 257 P CA -0.237 62.896 63.100 0.056 0.000 0.777 257 P CB 1.499 33.211 31.700 0.020 0.000 0.883 258 K N 1.996 122.520 120.400 0.206 0.000 2.117 258 K HA 0.527 4.846 4.320 -0.000 0.000 0.240 258 K C 0.526 177.222 176.600 0.161 0.000 1.031 258 K CA -0.758 55.671 56.287 0.237 0.000 0.909 258 K CB 0.577 33.231 32.500 0.257 0.000 1.097 258 K HN 0.457 nan 8.250 nan 0.000 0.492 259 A N 0.611 123.553 122.820 0.203 0.000 2.580 259 A HA 0.266 4.586 4.320 -0.000 0.000 0.244 259 A C 1.160 178.791 177.584 0.079 0.000 1.045 259 A CA 1.062 53.209 52.037 0.185 0.000 0.761 259 A CB -1.217 17.979 19.000 0.327 0.000 0.962 259 A HN 0.901 nan 8.150 nan 0.000 0.512 260 G N 0.860 109.696 108.800 0.059 0.000 2.179 260 G HA2 0.109 4.069 3.960 -0.000 0.000 0.260 260 G HA3 0.109 4.069 3.960 -0.000 0.000 0.260 260 G C 0.638 175.550 174.900 0.021 0.000 0.977 260 G CA 0.775 45.882 45.100 0.012 0.000 0.641 260 G HN 2.185 nan 8.290 nan 0.000 0.533 261 A N -0.170 122.678 122.820 0.046 0.000 2.246 261 A HA 0.665 4.985 4.320 -0.000 0.000 0.291 261 A C 0.573 178.182 177.584 0.042 0.000 1.103 261 A CA -0.274 51.790 52.037 0.046 0.000 0.844 261 A CB 0.378 19.419 19.000 0.069 0.000 1.136 261 A HN 0.282 nan 8.150 nan 0.000 0.500 262 E N 1.354 121.577 120.200 0.040 0.000 2.415 262 E HA 0.034 4.384 4.350 -0.000 0.000 0.263 262 E C -0.571 176.062 176.600 0.055 0.000 0.995 262 E CA 0.211 56.634 56.400 0.038 0.000 0.915 262 E CB 0.295 30.018 29.700 0.038 0.000 0.951 262 E HN 0.472 nan 8.360 nan 0.000 0.449 263 N N 2.945 121.677 118.700 0.053 0.000 2.482 263 N HA 0.378 5.117 4.740 -0.000 0.000 0.279 263 N C -2.362 173.217 175.510 0.116 0.000 1.182 263 N CA -1.640 51.464 53.050 0.089 0.000 0.969 263 N CB 0.694 39.235 38.487 0.090 0.000 1.201 263 N HN 0.203 nan 8.380 nan 0.000 0.523 264 P HA 0.105 nan 4.420 nan 0.000 0.274 264 P C -0.504 176.933 177.300 0.228 0.000 1.231 264 P CA -0.123 63.112 63.100 0.226 0.000 0.790 264 P CB 0.383 32.262 31.700 0.298 0.000 0.951 265 T N -1.366 113.295 114.554 0.179 0.000 2.943 265 T HA 0.575 4.925 4.350 -0.000 0.000 0.284 265 T C -0.222 174.565 174.700 0.144 0.000 1.015 265 T CA -0.841 61.325 62.100 0.109 0.000 1.042 265 T CB 1.530 70.428 68.868 0.051 0.000 1.055 265 T HN 0.333 nan 8.240 nan 0.000 0.500 266 V N 0.522 120.496 119.914 0.099 0.000 2.876 266 V HA 0.731 4.851 4.120 -0.000 0.000 0.312 266 V C -1.513 174.598 176.094 0.027 0.000 1.085 266 V CA -0.914 61.396 62.300 0.016 0.000 0.945 266 V CB 2.084 33.960 31.823 0.088 0.000 1.017 266 V HN 1.017 nan 8.190 nan 0.000 0.428 267 K N 4.703 125.035 120.400 -0.114 0.000 2.422 267 K HA 0.535 4.854 4.320 -0.000 0.000 0.251 267 K C -1.836 174.545 176.600 -0.364 0.000 0.933 267 K CA -0.438 55.707 56.287 -0.236 0.000 0.798 267 K CB 2.727 35.035 32.500 -0.320 0.000 1.238 267 K HN 0.581 nan 8.250 nan 0.000 0.428 268 F N 3.176 122.774 119.950 -0.586 0.000 2.482 268 F HA 0.549 5.076 4.527 -0.000 0.000 0.331 268 F C -1.446 173.865 175.800 -0.815 0.000 1.115 268 F CA -0.679 57.002 58.000 -0.531 0.000 0.955 268 F CB 0.723 39.560 39.000 -0.272 0.000 1.136 268 F HN 0.382 nan 8.300 nan 0.000 0.452 269 F N 4.383 123.624 119.950 -1.181 0.000 2.577 269 F HA 0.708 5.235 4.527 -0.000 0.000 0.318 269 F C -0.888 174.375 175.800 -0.894 0.000 1.065 269 F CA -1.273 56.185 58.000 -0.904 0.000 0.929 269 F CB 2.071 40.485 39.000 -0.977 0.000 1.237 269 F HN 0.082 nan 8.300 nan 0.000 0.468 270 V N 3.098 122.900 119.914 -0.187 0.000 2.407 270 V HA 0.432 4.552 4.120 -0.000 0.000 0.291 270 V C -0.656 175.574 176.094 0.226 0.000 1.018 270 V CA -0.803 61.442 62.300 -0.092 0.000 0.842 270 V CB 1.593 33.164 31.823 -0.421 0.000 0.996 270 V HN 0.524 nan 8.190 nan 0.000 0.426 271 V N 3.523 123.606 119.914 0.283 0.000 2.439 271 V HA 0.341 4.461 4.120 -0.000 0.000 0.282 271 V C 0.029 176.396 176.094 0.456 0.000 1.039 271 V CA -0.452 62.041 62.300 0.322 0.000 0.913 271 V CB 1.817 33.767 31.823 0.211 0.000 0.983 271 V HN 0.865 nan 8.190 nan 0.000 0.460 272 D N 3.456 124.128 120.400 0.454 0.000 2.380 272 D HA 0.099 4.739 4.640 -0.000 0.000 0.230 272 D C 1.366 177.769 176.300 0.173 0.000 1.154 272 D CA 0.035 54.265 54.000 0.384 0.000 0.859 272 D CB 1.689 42.737 40.800 0.414 0.000 1.045 272 D HN 0.746 nan 8.370 nan 0.000 0.495 273 T N 1.444 116.058 114.554 0.101 0.000 3.072 273 T HA -0.056 4.294 4.350 -0.000 0.000 0.266 273 T C 1.663 176.396 174.700 0.056 0.000 1.127 273 T CA 0.492 62.650 62.100 0.097 0.000 1.107 273 T CB 0.008 68.983 68.868 0.179 0.000 0.910 273 T HN 0.317 nan 8.240 nan 0.000 0.513 274 R N 1.319 121.821 120.500 0.004 0.000 2.120 274 R HA -0.047 4.293 4.340 -0.000 0.000 0.234 274 R C 2.566 178.887 176.300 0.034 0.000 1.123 274 R CA 1.813 57.911 56.100 -0.002 0.000 0.975 274 R CB -0.613 29.663 30.300 -0.040 0.000 0.866 274 R HN 0.690 nan 8.270 nan 0.000 0.446 275 T N -1.742 112.848 114.554 0.060 0.000 3.107 275 T HA 0.146 4.496 4.350 -0.000 0.000 0.249 275 T C 0.496 175.235 174.700 0.065 0.000 1.096 275 T CA -0.354 61.785 62.100 0.066 0.000 1.012 275 T CB 0.063 68.982 68.868 0.085 0.000 0.977 275 T HN -0.155 nan 8.240 nan 0.000 0.527 276 L N 2.728 123.991 121.223 0.065 0.000 2.559 276 L HA 0.472 4.812 4.340 -0.000 0.000 0.274 276 L C 0.400 177.305 176.870 0.058 0.000 1.205 276 L CA 0.572 55.450 54.840 0.063 0.000 0.907 276 L CB 0.114 42.211 42.059 0.063 0.000 1.153 276 L HN 0.395 nan 8.230 nan 0.000 0.490 277 S N 4.440 120.175 115.700 0.059 0.000 2.556 277 S HA 0.469 4.938 4.470 -0.000 0.000 0.280 277 S C -2.047 172.590 174.600 0.062 0.000 1.141 277 S CA -0.713 57.520 58.200 0.055 0.000 0.883 277 S CB 1.649 64.878 63.200 0.048 0.000 1.103 277 S HN 0.429 nan 8.310 nan 0.000 0.453 278 P HA -0.099 nan 4.420 nan 0.000 0.217 278 P C 0.408 177.744 177.300 0.060 0.000 1.148 278 P CA 1.322 64.465 63.100 0.071 0.000 0.828 278 P CB -0.028 31.711 31.700 0.064 0.000 0.783 279 N N -0.641 118.086 118.700 0.045 0.000 2.235 279 N HA 0.229 4.969 4.740 -0.000 0.000 0.209 279 N C 0.408 175.935 175.510 0.028 0.000 1.122 279 N CA 0.027 53.096 53.050 0.031 0.000 0.845 279 N CB 0.726 39.228 38.487 0.025 0.000 1.004 279 N HN 0.152 nan 8.380 nan 0.000 0.499 280 A N 0.535 123.378 122.820 0.039 0.000 2.337 280 A HA 0.620 4.940 4.320 -0.000 0.000 0.331 280 A C 0.589 178.199 177.584 0.042 0.000 1.137 280 A CA -0.514 51.547 52.037 0.039 0.000 0.807 280 A CB 0.984 20.013 19.000 0.049 0.000 1.250 280 A HN 0.169 nan 8.150 nan 0.000 0.468 281 S N 0.102 115.824 115.700 0.036 0.000 2.661 281 S HA 0.545 5.015 4.470 -0.000 0.000 0.265 281 S C 0.011 174.649 174.600 0.062 0.000 1.225 281 S CA -0.536 57.684 58.200 0.034 0.000 0.986 281 S CB 0.673 63.885 63.200 0.021 0.000 1.008 281 S HN 0.804 nan 8.310 nan 0.000 0.565 282 V N 1.401 121.357 119.914 0.069 0.000 2.465 282 V HA 0.318 4.437 4.120 -0.000 0.000 0.279 282 V C 0.345 176.500 176.094 0.101 0.000 1.045 282 V CA -0.460 61.890 62.300 0.084 0.000 0.938 282 V CB 1.058 32.925 31.823 0.074 0.000 0.986 282 V HN 0.989 nan 8.190 nan 0.000 0.467 283 T N 4.799 119.434 114.554 0.135 0.000 2.727 283 T HA 0.512 4.862 4.350 -0.000 0.000 0.298 283 T C 0.040 174.884 174.700 0.240 0.000 0.942 283 T CA -0.194 62.017 62.100 0.185 0.000 0.997 283 T CB 0.493 69.484 68.868 0.206 0.000 0.917 283 T HN 0.954 nan 8.240 nan 0.000 0.487 284 S N 3.201 119.050 115.700 0.249 0.000 2.579 284 S HA 0.703 5.173 4.470 -0.000 0.000 0.272 284 S C -1.728 173.105 174.600 0.388 0.000 1.141 284 S CA -0.991 57.389 58.200 0.300 0.000 0.843 284 S CB 1.635 64.938 63.200 0.172 0.000 1.122 284 S HN 0.572 nan 8.310 nan 0.000 0.468 285 Y N 1.183 121.666 120.300 0.304 0.000 2.406 285 Y HA 0.517 5.066 4.550 -0.000 0.000 0.340 285 Y C -0.503 175.540 175.900 0.238 0.000 0.975 285 Y CA -0.443 57.838 58.100 0.302 0.000 1.056 285 Y CB 1.930 40.647 38.460 0.428 0.000 1.210 285 Y HN 0.944 nan 8.280 nan 0.000 0.448 286 Q N 6.477 126.078 119.800 -0.332 0.000 2.274 286 Q HA 0.497 4.837 4.340 -0.000 0.000 0.256 286 Q C -1.315 174.455 176.000 -0.383 0.000 0.927 286 Q CA -0.480 55.084 55.803 -0.398 0.000 0.939 286 Q CB 0.761 29.233 28.738 -0.443 0.000 1.201 286 Q HN 0.769 nan 8.270 nan 0.000 0.426 287 I N 4.641 125.172 120.570 -0.064 0.000 2.315 287 I HA 0.253 4.423 4.170 -0.000 0.000 0.291 287 I C -0.325 175.821 176.117 0.048 0.000 1.006 287 I CA -0.781 60.589 61.300 0.118 0.000 1.265 287 I CB 1.414 39.572 38.000 0.263 0.000 1.387 287 I HN 0.392 nan 8.210 nan 0.000 0.475 288 V N 8.006 127.876 119.914 -0.073 0.000 2.837 288 V HA 0.397 4.516 4.120 -0.000 0.000 0.310 288 V C -1.897 173.905 176.094 -0.488 0.000 1.059 288 V CA -1.569 60.574 62.300 -0.261 0.000 1.004 288 V CB 1.378 33.052 31.823 -0.249 0.000 1.045 288 V HN 0.620 nan 8.190 nan 0.000 0.465 289 P HA 0.289 nan 4.420 nan 0.000 0.274 289 P C -2.796 174.079 177.300 -0.708 0.000 1.246 289 P CA -1.622 60.594 63.100 -1.473 0.000 0.795 289 P CB -0.150 30.171 31.700 -2.298 0.000 1.006 290 P HA -0.031 nan 4.420 nan 0.000 0.269 290 P C 0.875 178.008 177.300 -0.279 0.000 1.217 290 P CA 0.277 63.221 63.100 -0.260 0.000 0.783 290 P CB 0.068 31.686 31.700 -0.137 0.000 0.898 291 A N 2.052 124.758 122.820 -0.192 0.000 1.948 291 A HA -0.220 4.099 4.320 -0.000 0.000 0.220 291 A C 2.097 179.569 177.584 -0.186 0.000 1.177 291 A CA 2.418 54.348 52.037 -0.178 0.000 0.636 291 A CB -1.842 17.085 19.000 -0.121 0.000 0.815 291 A HN 0.630 nan 8.150 nan 0.000 0.449 292 S N -1.169 114.436 115.700 -0.158 0.000 2.469 292 S HA -0.034 4.436 4.470 -0.000 0.000 0.238 292 S C 1.394 175.813 174.600 -0.302 0.000 0.998 292 S CA 1.422 59.501 58.200 -0.203 0.000 0.957 292 S CB -0.222 62.914 63.200 -0.106 0.000 0.764 292 S HN 0.285 nan 8.310 nan 0.000 0.514 293 V N 0.416 120.170 119.914 -0.267 0.000 3.151 293 V HA 0.287 4.407 4.120 -0.000 0.000 0.241 293 V C 2.021 177.891 176.094 -0.374 0.000 1.173 293 V CA 0.274 62.402 62.300 -0.286 0.000 1.154 293 V CB -0.171 31.502 31.823 -0.251 0.000 0.898 293 V HN 0.429 nan 8.190 nan 0.000 0.473 294 L N 0.136 121.087 121.223 -0.455 0.000 2.265 294 L HA -0.139 4.200 4.340 -0.000 0.000 0.215 294 L C 2.226 178.976 176.870 -0.201 0.000 1.117 294 L CA 1.581 56.162 54.840 -0.431 0.000 0.782 294 L CB -0.146 41.687 42.059 -0.377 0.000 0.914 294 L HN 0.321 nan 8.230 nan 0.000 0.441 295 I N -0.408 120.055 120.570 -0.178 0.000 2.423 295 I HA -0.165 4.005 4.170 -0.000 0.000 0.254 295 I C 1.273 177.343 176.117 -0.078 0.000 1.151 295 I CA 1.077 62.304 61.300 -0.122 0.000 1.421 295 I CB -0.472 37.446 38.000 -0.137 0.000 1.079 295 I HN 0.370 nan 8.210 nan 0.000 0.431 296 G N -0.875 107.894 108.800 -0.051 0.000 2.782 296 G HA2 0.255 4.215 3.960 -0.000 0.000 0.304 296 G HA3 0.255 4.215 3.960 -0.000 0.000 0.304 296 G C -1.530 173.393 174.900 0.039 0.000 1.315 296 G CA -0.535 44.550 45.100 -0.024 0.000 0.791 296 G HN -0.133 nan 8.290 nan 0.000 0.519 297 D N 1.264 121.631 120.400 -0.054 0.000 2.488 297 D HA 0.360 4.999 4.640 -0.000 0.000 0.238 297 D C 0.455 176.646 176.300 -0.182 0.000 1.138 297 D CA 0.886 54.785 54.000 -0.169 0.000 0.873 297 D CB 0.295 40.977 40.800 -0.198 0.000 1.183 297 D HN 0.535 nan 8.370 nan 0.000 0.458 298 H N -0.649 118.262 119.070 -0.265 0.000 2.933 298 H HA 0.456 5.012 4.556 -0.001 0.000 0.310 298 H C -1.328 173.847 175.328 -0.255 0.000 1.351 298 H CA -0.824 55.073 56.048 -0.253 0.000 1.137 298 H CB 0.383 30.116 29.762 -0.048 0.000 1.853 298 H HN 0.288 nan 8.280 nan 0.000 0.539 299 Y N 0.034 120.573 120.300 0.398 0.000 2.545 299 Y HA 0.397 4.946 4.550 -0.000 0.000 0.348 299 Y C -0.372 175.898 175.900 0.617 0.000 1.002 299 Y CA -1.155 57.202 58.100 0.428 0.000 1.039 299 Y CB 2.000 40.543 38.460 0.139 0.000 1.271 299 Y HN 0.505 nan 8.280 nan 0.000 0.467 300 L N 3.103 124.799 121.223 0.789 0.000 2.265 300 L HA 0.458 4.798 4.340 -0.000 0.000 0.288 300 L C 0.331 177.440 176.870 0.399 0.000 1.058 300 L CA -0.292 54.687 54.840 0.233 0.000 0.809 300 L CB 0.492 42.541 42.059 -0.016 0.000 1.179 300 L HN 0.953 nan 8.230 nan 0.000 0.429 301 C N 1.779 121.148 119.300 0.114 0.000 3.491 301 C HA 0.867 5.327 4.460 -0.000 0.000 0.298 301 C C 0.605 175.561 174.990 -0.056 0.000 1.424 301 C CA -0.012 59.120 59.018 0.190 0.000 1.772 301 C CB -0.874 26.959 27.740 0.154 0.000 2.447 301 C HN 0.986 nan 8.230 nan 0.000 0.670 302 G N 0.123 108.729 108.800 -0.323 0.000 2.733 302 G HA2 0.556 4.516 3.960 -0.000 0.000 0.297 302 G HA3 0.556 4.516 3.960 -0.000 0.000 0.297 302 G C -1.870 172.590 174.900 -0.733 0.000 1.452 302 G CA -0.181 44.640 45.100 -0.466 0.000 0.940 302 G HN 0.367 nan 8.290 nan 0.000 0.547 303 V N 1.069 120.475 119.914 -0.845 0.000 2.569 303 V HA 0.775 4.895 4.120 -0.000 0.000 0.301 303 V C -0.411 175.228 176.094 -0.757 0.000 1.044 303 V CA -0.639 61.005 62.300 -1.094 0.000 0.874 303 V CB 2.071 32.745 31.823 -1.915 0.000 1.002 303 V HN 0.889 nan 8.190 nan 0.000 0.424 304 T N 3.352 117.536 114.554 -0.617 0.000 2.949 304 T HA 0.358 4.708 4.350 -0.000 0.000 0.300 304 T C -0.869 173.622 174.700 -0.348 0.000 0.988 304 T CA -0.398 61.498 62.100 -0.339 0.000 0.993 304 T CB 0.806 69.574 68.868 -0.166 0.000 0.984 304 T HN 0.546 nan 8.240 nan 0.000 0.442 305 W N 2.739 123.957 121.300 -0.136 0.000 2.266 305 W HA 0.341 5.001 4.660 -0.001 0.000 0.317 305 W C 1.090 177.530 176.519 -0.132 0.000 1.310 305 W CA -0.428 56.861 57.345 -0.095 0.000 1.207 305 W CB 0.723 30.212 29.460 0.047 0.000 1.199 305 W HN 0.472 nan 8.180 nan 0.000 0.544 306 V N 1.744 121.684 119.914 0.042 0.000 2.521 306 V HA 0.092 4.211 4.120 -0.000 0.000 0.239 306 V C 0.880 177.032 176.094 0.097 0.000 1.053 306 V CA 1.438 63.658 62.300 -0.134 0.000 1.073 306 V CB -0.244 31.257 31.823 -0.537 0.000 0.746 306 V HN 0.653 nan 8.190 nan 0.000 0.476 307 T N -4.317 110.352 114.554 0.193 0.000 2.754 307 T HA 0.350 4.699 4.350 -0.000 0.000 0.296 307 T C 0.445 175.315 174.700 0.283 0.000 1.205 307 T CA -0.476 61.745 62.100 0.201 0.000 1.009 307 T CB 1.987 70.953 68.868 0.162 0.000 1.368 307 T HN -0.077 nan 8.240 nan 0.000 0.509 308 E N 0.475 120.795 120.200 0.199 0.000 2.267 308 E HA -0.087 4.262 4.350 -0.000 0.000 0.197 308 E C 0.892 177.752 176.600 0.434 0.000 0.998 308 E CA 1.274 57.802 56.400 0.213 0.000 0.830 308 E CB 0.061 29.845 29.700 0.139 0.000 0.751 308 E HN 0.767 nan 8.360 nan 0.000 0.491 309 E N -0.249 120.178 120.200 0.379 0.000 2.734 309 E HA 0.162 4.511 4.350 -0.000 0.000 0.211 309 E C 0.088 176.932 176.600 0.407 0.000 0.991 309 E CA -0.177 56.431 56.400 0.347 0.000 1.065 309 E CB 0.909 30.730 29.700 0.203 0.000 1.047 309 E HN -0.111 nan 8.360 nan 0.000 0.470 310 R N 1.448 122.256 120.500 0.513 0.000 2.522 310 R HA 0.494 4.834 4.340 -0.000 0.000 0.283 310 R C -1.899 174.533 176.300 0.220 0.000 1.074 310 R CA -0.450 55.852 56.100 0.337 0.000 0.925 310 R CB 1.332 31.706 30.300 0.124 0.000 1.205 310 R HN 0.076 nan 8.270 nan 0.000 0.436 311 I N 2.253 122.816 120.570 -0.012 0.000 2.608 311 I HA 0.399 4.569 4.170 -0.000 0.000 0.295 311 I C -1.173 174.670 176.117 -0.456 0.000 1.049 311 I CA -0.503 60.515 61.300 -0.469 0.000 1.063 311 I CB 2.391 39.736 38.000 -1.091 0.000 1.248 311 I HN 0.650 nan 8.210 nan 0.000 0.424 312 S N 7.431 122.798 115.700 -0.554 0.000 2.433 312 S HA 0.644 5.114 4.470 -0.000 0.000 0.310 312 S C -0.922 173.346 174.600 -0.555 0.000 1.097 312 S CA -0.652 57.282 58.200 -0.443 0.000 1.103 312 S CB 0.551 63.555 63.200 -0.327 0.000 0.992 312 S HN 0.492 nan 8.310 nan 0.000 0.469 313 L N 4.347 125.265 121.223 -0.509 0.000 2.329 313 L HA 0.575 4.914 4.340 -0.000 0.000 0.279 313 L C -0.102 176.434 176.870 -0.556 0.000 1.014 313 L CA -0.652 53.747 54.840 -0.734 0.000 0.814 313 L CB 1.947 43.526 42.059 -0.800 0.000 1.257 313 L HN 0.627 nan 8.230 nan 0.000 0.424 314 Q N 2.162 121.558 119.800 -0.673 0.000 2.333 314 Q HA 0.414 4.754 4.340 -0.000 0.000 0.268 314 Q C -1.934 173.832 176.000 -0.391 0.000 1.007 314 Q CA -0.577 54.999 55.803 -0.378 0.000 0.810 314 Q CB 1.658 30.229 28.738 -0.278 0.000 1.264 314 Q HN 0.476 nan 8.270 nan 0.000 0.452 315 W N 3.717 124.984 121.300 -0.054 0.000 2.799 315 W HA 0.708 5.368 4.660 -0.000 0.000 0.349 315 W C -0.653 175.924 176.519 0.097 0.000 1.100 315 W CA -0.686 56.681 57.345 0.036 0.000 1.174 315 W CB 1.341 30.792 29.460 -0.014 0.000 1.427 315 W HN 0.541 nan 8.180 nan 0.000 0.547 316 I N 1.119 121.960 120.570 0.450 0.000 2.802 316 I HA 0.468 4.638 4.170 -0.000 0.000 0.298 316 I C -0.266 176.048 176.117 0.329 0.000 1.176 316 I CA -1.094 60.418 61.300 0.353 0.000 1.025 316 I CB 1.462 39.641 38.000 0.300 0.000 1.243 316 I HN 0.414 nan 8.210 nan 0.000 0.424 317 R N 4.255 124.908 120.500 0.254 0.000 2.679 317 R HA 0.274 4.614 4.340 -0.000 0.000 0.269 317 R C 1.042 177.372 176.300 0.051 0.000 1.076 317 R CA -0.308 55.862 56.100 0.117 0.000 1.160 317 R CB 0.528 30.862 30.300 0.057 0.000 1.054 317 R HN 0.605 nan 8.270 nan 0.000 0.507 318 R N 1.352 121.784 120.500 -0.114 0.000 2.105 318 R HA -0.107 4.233 4.340 -0.000 0.000 0.239 318 R C 0.113 176.436 176.300 0.038 0.000 1.135 318 R CA 1.677 57.675 56.100 -0.171 0.000 0.967 318 R CB -0.070 30.099 30.300 -0.218 0.000 0.861 318 R HN 0.649 nan 8.270 nan 0.000 0.442 319 A N 1.526 124.362 122.820 0.025 0.000 2.437 319 A HA 0.092 4.412 4.320 -0.000 0.000 0.303 319 A C -0.245 177.391 177.584 0.086 0.000 1.324 319 A CA -0.284 51.778 52.037 0.042 0.000 0.983 319 A CB 0.395 19.409 19.000 0.023 0.000 1.142 319 A HN 0.456 nan 8.150 nan 0.000 0.541 320 Q N 1.737 121.590 119.800 0.088 0.000 2.292 320 Q HA -0.031 4.308 4.340 -0.000 0.000 0.235 320 Q C 0.469 176.543 176.000 0.123 0.000 0.910 320 Q CA 0.096 55.969 55.803 0.117 0.000 0.952 320 Q CB -0.146 28.628 28.738 0.060 0.000 1.089 320 Q HN 0.873 nan 8.270 nan 0.000 0.431 321 N N -0.901 117.873 118.700 0.124 0.000 2.177 321 N HA -0.044 4.695 4.740 -0.000 0.000 0.218 321 N C -1.034 174.561 175.510 0.141 0.000 1.182 321 N CA -0.198 52.912 53.050 0.100 0.000 0.882 321 N CB 0.353 38.877 38.487 0.061 0.000 1.052 321 N HN 0.170 nan 8.380 nan 0.000 0.519 322 Y N 0.448 120.773 120.300 0.042 0.000 2.331 322 Y HA 0.605 5.155 4.550 -0.000 0.000 0.326 322 Y C -1.144 174.793 175.900 0.062 0.000 1.020 322 Y CA -1.148 56.976 58.100 0.040 0.000 1.136 322 Y CB 1.486 39.960 38.460 0.023 0.000 1.157 322 Y HN 0.006 nan 8.280 nan 0.000 0.444 323 S N 6.394 122.025 115.700 -0.115 0.000 2.600 323 S HA 0.822 5.291 4.470 -0.000 0.000 0.300 323 S C -1.666 172.865 174.600 -0.116 0.000 1.087 323 S CA -0.657 57.550 58.200 0.013 0.000 0.965 323 S CB 1.152 64.362 63.200 0.018 0.000 1.089 323 S HN 0.740 nan 8.310 nan 0.000 0.496 324 I N 3.026 123.626 120.570 0.050 0.000 2.644 324 I HA 0.512 4.681 4.170 -0.000 0.000 0.291 324 I C -1.732 174.432 176.117 0.078 0.000 1.180 324 I CA -0.826 60.498 61.300 0.039 0.000 1.040 324 I CB 1.470 39.536 38.000 0.110 0.000 1.255 324 I HN 0.672 nan 8.210 nan 0.000 0.422 325 I N 6.050 126.633 120.570 0.021 0.000 2.359 325 I HA 0.321 4.490 4.170 -0.000 0.000 0.294 325 I C -1.015 175.131 176.117 0.047 0.000 0.987 325 I CA -0.230 61.055 61.300 -0.024 0.000 1.225 325 I CB 1.434 39.344 38.000 -0.151 0.000 1.366 325 I HN 0.469 nan 8.210 nan 0.000 0.466 326 D N 7.580 128.000 120.400 0.035 0.000 2.481 326 D HA 0.437 5.077 4.640 -0.000 0.000 0.246 326 D C -0.752 175.541 176.300 -0.012 0.000 1.109 326 D CA -0.292 53.737 54.000 0.047 0.000 0.845 326 D CB 1.122 41.987 40.800 0.109 0.000 1.160 326 D HN 0.255 nan 8.370 nan 0.000 0.534 327 I N 4.033 124.619 120.570 0.027 0.000 2.306 327 I HA 0.287 4.456 4.170 -0.000 0.000 0.288 327 I C -0.235 175.902 176.117 0.034 0.000 1.036 327 I CA -0.704 60.597 61.300 0.002 0.000 1.221 327 I CB 0.916 38.969 38.000 0.088 0.000 1.385 327 I HN 0.253 nan 8.210 nan 0.000 0.472 328 C N 4.484 123.804 119.300 0.033 0.000 2.350 328 C HA 0.425 4.885 4.460 -0.000 0.000 0.348 328 C C 0.003 175.145 174.990 0.255 0.000 1.260 328 C CA -0.636 58.470 59.018 0.146 0.000 1.966 328 C CB 0.591 28.447 27.740 0.194 0.000 2.380 328 C HN 0.585 nan 8.230 nan 0.000 0.535 329 D N 0.846 121.349 120.400 0.172 0.000 2.278 329 D HA 0.242 4.881 4.640 -0.000 0.000 0.245 329 D C -0.524 175.683 176.300 -0.155 0.000 1.052 329 D CA -0.203 53.846 54.000 0.082 0.000 0.834 329 D CB 1.112 41.925 40.800 0.021 0.000 1.194 329 D HN 0.576 nan 8.370 nan 0.000 0.481 330 Y N 1.590 121.509 120.300 -0.635 0.000 2.411 330 Y HA 0.148 4.697 4.550 -0.001 0.000 0.333 330 Y C 0.033 175.605 175.900 -0.546 0.000 1.186 330 Y CA 0.039 57.445 58.100 -1.157 0.000 1.381 330 Y CB 0.710 38.370 38.460 -1.334 0.000 1.273 330 Y HN 0.156 nan 8.280 nan 0.000 0.546 331 D N 5.084 124.855 120.400 -1.049 0.000 2.460 331 D HA 0.138 4.778 4.640 -0.000 0.000 0.232 331 D C 0.281 176.040 176.300 -0.901 0.000 1.079 331 D CA -0.214 53.371 54.000 -0.692 0.000 0.864 331 D CB 0.719 41.220 40.800 -0.498 0.000 1.048 331 D HN 0.790 nan 8.370 nan 0.000 0.523 332 E N 1.247 121.113 120.200 -0.557 0.000 2.267 332 E HA -0.169 4.181 4.350 -0.000 0.000 0.197 332 E C 1.453 177.921 176.600 -0.219 0.000 0.998 332 E CA 1.057 57.267 56.400 -0.318 0.000 0.830 332 E CB 0.166 29.851 29.700 -0.024 0.000 0.751 332 E HN 0.517 nan 8.360 nan 0.000 0.491 333 S N -0.344 115.224 115.700 -0.219 0.000 2.528 333 S HA -0.027 4.443 4.470 -0.000 0.000 0.219 333 S C 1.830 176.349 174.600 -0.135 0.000 0.985 333 S CA 0.949 59.069 58.200 -0.132 0.000 0.914 333 S CB 0.180 63.320 63.200 -0.100 0.000 0.776 333 S HN 0.283 nan 8.310 nan 0.000 0.526 334 T N -4.497 109.924 114.554 -0.222 0.000 2.986 334 T HA 0.539 4.889 4.350 -0.000 0.000 0.264 334 T C 1.573 176.161 174.700 -0.188 0.000 0.964 334 T CA 0.620 62.619 62.100 -0.169 0.000 0.895 334 T CB 0.077 68.844 68.868 -0.169 0.000 1.163 334 T HN 1.112 nan 8.240 nan 0.000 0.517 335 G N 2.325 110.901 108.800 -0.374 0.000 2.184 335 G HA2 -0.271 3.688 3.960 -0.000 0.000 0.264 335 G HA3 -0.271 3.688 3.960 -0.000 0.000 0.264 335 G C 0.229 174.904 174.900 -0.374 0.000 0.975 335 G CA 0.077 45.033 45.100 -0.239 0.000 0.642 335 G HN 0.708 nan 8.290 nan 0.000 0.536 336 R N -1.117 119.015 120.500 -0.614 0.000 2.615 336 R HA 0.428 4.768 4.340 -0.000 0.000 0.270 336 R C -0.587 175.123 176.300 -0.983 0.000 1.081 336 R CA -0.170 55.338 56.100 -0.986 0.000 1.154 336 R CB 0.520 30.407 30.300 -0.688 0.000 1.063 336 R HN 0.214 nan 8.270 nan 0.000 0.519 337 W N 2.419 123.175 121.300 -0.908 0.000 2.329 337 W HA 0.416 5.076 4.660 -0.001 0.000 0.312 337 W C -0.257 176.157 176.519 -0.176 0.000 1.054 337 W CA -0.295 56.882 57.345 -0.281 0.000 1.245 337 W CB 0.750 30.191 29.460 -0.031 0.000 1.255 337 W HN 0.271 nan 8.180 nan 0.000 0.436 338 I N 3.884 124.446 120.570 -0.013 0.000 2.392 338 I HA 0.383 4.553 4.170 -0.000 0.000 0.295 338 I C 0.467 176.619 176.117 0.058 0.000 0.985 338 I CA -0.728 60.578 61.300 0.010 0.000 1.221 338 I CB 1.395 39.354 38.000 -0.069 0.000 1.366 338 I HN 0.336 nan 8.210 nan 0.000 0.467 339 S N 3.704 119.441 115.700 0.060 0.000 2.621 339 S HA 0.831 5.300 4.470 -0.000 0.000 0.302 339 S C -0.390 174.222 174.600 0.019 0.000 1.093 339 S CA -0.663 57.565 58.200 0.046 0.000 1.017 339 S CB 1.942 65.170 63.200 0.046 0.000 1.077 339 S HN 0.707 nan 8.310 nan 0.000 0.517 340 S N -0.043 115.664 115.700 0.012 0.000 2.541 340 S HA 0.443 4.913 4.470 -0.000 0.000 0.271 340 S C 0.504 175.094 174.600 -0.016 0.000 1.133 340 S CA -0.748 57.451 58.200 -0.002 0.000 0.876 340 S CB 0.921 64.122 63.200 0.002 0.000 1.105 340 S HN 0.559 nan 8.310 nan 0.000 0.470 341 V N 2.002 121.900 119.914 -0.026 0.000 2.380 341 V HA -0.220 3.900 4.120 -0.000 0.000 0.251 341 V C 2.956 179.011 176.094 -0.065 0.000 1.063 341 V CA 2.699 64.973 62.300 -0.043 0.000 1.055 341 V CB -1.496 30.306 31.823 -0.035 0.000 0.657 341 V HN 1.046 nan 8.190 nan 0.000 0.455 342 A N -0.522 122.272 122.820 -0.044 0.000 2.019 342 A HA -0.179 4.141 4.320 -0.000 0.000 0.219 342 A C 2.258 179.805 177.584 -0.062 0.000 1.164 342 A CA 1.541 53.552 52.037 -0.044 0.000 0.644 342 A CB -0.399 18.597 19.000 -0.007 0.000 0.805 342 A HN 0.511 nan 8.150 nan 0.000 0.449 343 R N -0.510 119.971 120.500 -0.032 0.000 2.388 343 R HA 0.181 4.521 4.340 -0.000 0.000 0.247 343 R C -0.287 175.990 176.300 -0.039 0.000 0.931 343 R CA -0.015 56.108 56.100 0.037 0.000 1.082 343 R CB 0.210 30.567 30.300 0.095 0.000 1.135 343 R HN 0.607 nan 8.270 nan 0.000 0.525 344 Q N -0.300 119.369 119.800 -0.218 0.000 2.274 344 Q HA 0.271 4.611 4.340 -0.000 0.000 0.260 344 Q C -1.138 174.575 176.000 -0.478 0.000 0.974 344 Q CA -0.530 55.159 55.803 -0.190 0.000 0.876 344 Q CB 1.918 30.602 28.738 -0.090 0.000 1.297 344 Q HN 0.224 nan 8.270 nan 0.000 0.446 345 H N 1.135 120.208 119.070 0.005 0.000 2.906 345 H HA 0.376 4.932 4.556 -0.000 0.000 0.324 345 H C -0.901 174.386 175.328 -0.068 0.000 0.973 345 H CA -0.371 55.672 56.048 -0.009 0.000 1.321 345 H CB 0.845 30.587 29.762 -0.033 0.000 1.535 345 H HN 0.440 nan 8.280 nan 0.000 0.518 346 I N 2.341 122.906 120.570 -0.009 0.000 2.395 346 I HA 0.148 4.318 4.170 -0.000 0.000 0.289 346 I C 0.250 176.284 176.117 -0.138 0.000 1.023 346 I CA 0.075 61.283 61.300 -0.154 0.000 1.350 346 I CB 0.951 38.836 38.000 -0.192 0.000 1.409 346 I HN 0.600 nan 8.210 nan 0.000 0.507 347 E N 8.115 128.179 120.200 -0.226 0.000 2.216 347 E HA 0.568 4.917 4.350 -0.000 0.000 0.260 347 E C -1.206 175.275 176.600 -0.198 0.000 0.880 347 E CA -0.628 55.693 56.400 -0.132 0.000 0.765 347 E CB 1.418 31.081 29.700 -0.062 0.000 1.174 347 E HN 0.614 nan 8.360 nan 0.000 0.417 348 I N 0.343 120.835 120.570 -0.129 0.000 2.957 348 I HA 0.716 4.886 4.170 -0.000 0.000 0.310 348 I C -0.783 175.316 176.117 -0.031 0.000 1.063 348 I CA -0.938 60.312 61.300 -0.085 0.000 1.033 348 I CB 2.318 40.289 38.000 -0.049 0.000 1.230 348 I HN 0.348 nan 8.210 nan 0.000 0.447 349 S N 0.752 116.442 115.700 -0.017 0.000 2.614 349 S HA 0.423 4.893 4.470 -0.000 0.000 0.288 349 S C 0.342 174.926 174.600 -0.026 0.000 1.137 349 S CA 0.046 58.229 58.200 -0.030 0.000 0.992 349 S CB 1.364 64.520 63.200 -0.073 0.000 1.026 349 S HN 0.910 nan 8.310 nan 0.000 0.486 350 T N 0.367 114.910 114.554 -0.019 0.000 3.065 350 T HA 0.056 4.406 4.350 -0.000 0.000 0.252 350 T C 1.447 176.131 174.700 -0.027 0.000 1.099 350 T CA 0.919 63.010 62.100 -0.014 0.000 1.063 350 T CB -0.355 68.511 68.868 -0.004 0.000 0.948 350 T HN 0.676 nan 8.240 nan 0.000 0.506 351 T N -2.466 112.070 114.554 -0.030 0.000 3.014 351 T HA 0.619 4.968 4.350 -0.000 0.000 0.250 351 T C 1.200 175.790 174.700 -0.183 0.000 1.060 351 T CA 0.370 62.460 62.100 -0.016 0.000 1.040 351 T CB 0.449 69.372 68.868 0.091 0.000 0.971 351 T HN 0.590 nan 8.240 nan 0.000 0.497 352 G N 0.593 109.132 108.800 -0.435 0.000 2.929 352 G HA2 0.459 4.419 3.960 -0.000 0.000 0.123 352 G HA3 0.459 4.419 3.960 -0.000 0.000 0.123 352 G C -1.679 172.974 174.900 -0.412 0.000 1.212 352 G CA -0.433 44.226 45.100 -0.734 0.000 1.238 352 G HN 0.518 nan 8.290 nan 0.000 0.617 353 W N 0.169 121.157 121.300 -0.520 0.000 2.578 353 W HA 0.795 5.455 4.660 -0.000 0.000 0.364 353 W C -0.476 175.970 176.519 -0.122 0.000 1.144 353 W CA -1.394 55.799 57.345 -0.254 0.000 1.242 353 W CB 1.069 30.361 29.460 -0.280 0.000 1.382 353 W HN 0.271 nan 8.180 nan 0.000 0.625 354 V N 3.472 123.446 119.914 0.099 0.000 2.461 354 V HA 0.636 4.755 4.120 -0.000 0.000 0.275 354 V C 0.894 177.060 176.094 0.120 0.000 1.047 354 V CA 0.729 63.057 62.300 0.047 0.000 0.955 354 V CB -0.035 31.823 31.823 0.058 0.000 0.988 354 V HN 1.288 nan 8.190 nan 0.000 0.471 355 G N 5.663 114.488 108.800 0.041 0.000 2.741 355 G HA2 -0.210 3.749 3.960 -0.000 0.000 0.222 355 G HA3 -0.210 3.749 3.960 -0.000 0.000 0.222 355 G C 0.389 175.360 174.900 0.117 0.000 1.364 355 G CA 0.380 45.525 45.100 0.076 0.000 0.866 355 G HN 0.619 nan 8.290 nan 0.000 0.555 356 R N -1.412 119.145 120.500 0.094 0.000 2.048 356 R HA 0.290 4.630 4.340 -0.000 0.000 0.224 356 R C 2.049 178.204 176.300 -0.240 0.000 1.163 356 R CA 1.880 57.956 56.100 -0.040 0.000 0.956 356 R CB -0.087 30.188 30.300 -0.043 0.000 0.849 356 R HN 0.414 nan 8.270 nan 0.000 0.435 357 F N -0.256 119.830 119.950 0.226 0.000 2.767 357 F HA 0.305 4.832 4.527 -0.000 0.000 0.323 357 F C 0.284 176.137 175.800 0.088 0.000 1.091 357 F CA -0.395 57.692 58.000 0.145 0.000 1.192 357 F CB 0.773 39.871 39.000 0.164 0.000 1.056 357 F HN -0.069 nan 8.300 nan 0.000 0.571 358 R N -0.571 120.071 120.500 0.236 0.000 2.825 358 R HA 0.295 4.634 4.340 -0.000 0.000 0.274 358 R C -3.473 172.912 176.300 0.142 0.000 1.026 358 R CA -1.529 54.668 56.100 0.161 0.000 0.867 358 R CB 0.362 30.750 30.300 0.147 0.000 1.268 358 R HN -0.335 nan 8.270 nan 0.000 0.491 359 P HA 0.051 nan 4.420 nan 0.000 0.266 359 P C -0.104 177.237 177.300 0.068 0.000 1.195 359 P CA 0.133 63.277 63.100 0.072 0.000 0.768 359 P CB 0.518 32.241 31.700 0.038 0.000 0.838 360 A N 3.166 126.031 122.820 0.075 0.000 2.448 360 A HA 0.077 4.397 4.320 -0.000 0.000 0.239 360 A C 0.470 178.082 177.584 0.048 0.000 1.080 360 A CA -0.033 52.061 52.037 0.096 0.000 0.779 360 A CB -0.243 18.828 19.000 0.118 0.000 1.026 360 A HN 0.579 nan 8.150 nan 0.000 0.499 361 E N 1.453 121.689 120.200 0.059 0.000 2.248 361 E HA 0.367 4.716 4.350 -0.000 0.000 0.272 361 E C -2.387 174.176 176.600 -0.061 0.000 1.008 361 E CA -1.829 54.543 56.400 -0.047 0.000 0.856 361 E CB 0.988 30.637 29.700 -0.085 0.000 1.120 361 E HN 0.519 nan 8.360 nan 0.000 0.397 362 P HA 0.080 nan 4.420 nan 0.000 0.280 362 P C -1.041 176.081 177.300 -0.296 0.000 1.244 362 P CA 0.055 62.967 63.100 -0.313 0.000 0.784 362 P CB 0.733 31.909 31.700 -0.874 0.000 0.913 363 H N 3.081 122.139 119.070 -0.021 0.000 2.638 363 H HA 0.280 4.836 4.556 -0.000 0.000 0.303 363 H C -0.154 175.260 175.328 0.143 0.000 1.034 363 H CA -0.334 55.789 56.048 0.125 0.000 1.225 363 H CB 0.265 30.127 29.762 0.166 0.000 1.394 363 H HN 0.315 nan 8.280 nan 0.000 0.477 364 F N 1.665 121.775 119.950 0.266 0.000 2.375 364 F HA 0.079 4.606 4.527 -0.000 0.000 0.333 364 F C 1.572 177.541 175.800 0.282 0.000 1.104 364 F CA -0.555 57.616 58.000 0.285 0.000 1.149 364 F CB 0.972 40.075 39.000 0.171 0.000 1.190 364 F HN 0.355 nan 8.300 nan 0.000 0.533 365 T N -1.775 113.062 114.554 0.471 0.000 2.813 365 T HA 0.053 4.403 4.350 -0.000 0.000 0.297 365 T C 1.329 176.212 174.700 0.304 0.000 1.036 365 T CA -0.236 62.074 62.100 0.350 0.000 1.044 365 T CB 1.219 70.272 68.868 0.308 0.000 0.993 365 T HN 0.634 nan 8.240 nan 0.000 0.535 366 S N 0.636 116.472 115.700 0.227 0.000 2.387 366 S HA -0.186 4.284 4.470 -0.000 0.000 0.230 366 S C 1.667 176.371 174.600 0.173 0.000 1.035 366 S CA 1.863 60.175 58.200 0.186 0.000 1.014 366 S CB -0.940 62.348 63.200 0.147 0.000 0.836 366 S HN 0.886 nan 8.310 nan 0.000 0.466 367 D N -0.922 119.582 120.400 0.173 0.000 2.317 367 D HA 0.096 4.735 4.640 -0.000 0.000 0.211 367 D C 1.506 177.909 176.300 0.172 0.000 0.966 367 D CA 0.918 55.009 54.000 0.153 0.000 0.876 367 D CB -0.586 40.296 40.800 0.137 0.000 0.927 367 D HN 0.605 nan 8.370 nan 0.000 0.519 368 G N 1.447 110.386 108.800 0.232 0.000 2.159 368 G HA2 -0.341 3.619 3.960 -0.000 0.000 0.256 368 G HA3 -0.341 3.619 3.960 -0.000 0.000 0.256 368 G C 0.667 175.758 174.900 0.318 0.000 0.977 368 G CA 0.410 45.671 45.100 0.270 0.000 0.652 368 G HN 0.452 nan 8.290 nan 0.000 0.531 369 N N 0.010 118.868 118.700 0.264 0.000 2.412 369 N HA 0.309 5.048 4.740 -0.000 0.000 0.184 369 N C 0.838 176.487 175.510 0.232 0.000 1.101 369 N CA 0.755 53.940 53.050 0.225 0.000 0.881 369 N CB 0.257 38.835 38.487 0.152 0.000 0.969 369 N HN 0.707 nan 8.380 nan 0.000 0.459 370 S N -0.267 115.600 115.700 0.279 0.000 2.596 370 S HA 0.685 5.154 4.470 -0.000 0.000 0.270 370 S C -1.223 173.473 174.600 0.159 0.000 1.155 370 S CA -1.093 57.190 58.200 0.140 0.000 0.827 370 S CB 1.306 64.570 63.200 0.108 0.000 1.130 370 S HN 0.159 nan 8.310 nan 0.000 0.467 371 F N -1.449 118.354 119.950 -0.246 0.000 2.662 371 F HA 0.843 5.370 4.527 -0.000 0.000 0.312 371 F C -2.209 173.356 175.800 -0.391 0.000 1.113 371 F CA -1.499 56.237 58.000 -0.439 0.000 0.951 371 F CB 0.737 38.979 39.000 -1.262 0.000 1.344 371 F HN 0.593 nan 8.300 nan 0.000 0.462 372 Y N 1.338 121.718 120.300 0.134 0.000 2.364 372 Y HA 0.644 5.194 4.550 -0.000 0.000 0.340 372 Y C -0.313 175.722 175.900 0.226 0.000 0.975 372 Y CA -0.838 57.328 58.100 0.110 0.000 1.089 372 Y CB 2.120 40.590 38.460 0.016 0.000 1.192 372 Y HN 0.741 nan 8.280 nan 0.000 0.454 373 K N 3.653 124.254 120.400 0.335 0.000 2.525 373 K HA 0.530 4.850 4.320 -0.000 0.000 0.254 373 K C -1.620 175.115 176.600 0.226 0.000 0.934 373 K CA -0.575 55.881 56.287 0.282 0.000 0.802 373 K CB 1.565 34.199 32.500 0.222 0.000 1.295 373 K HN 0.734 nan 8.250 nan 0.000 0.433 374 I N 6.246 126.921 120.570 0.175 0.000 2.533 374 I HA 0.218 4.387 4.170 -0.000 0.000 0.284 374 I C 0.332 176.542 176.117 0.154 0.000 1.109 374 I CA -0.155 61.232 61.300 0.146 0.000 1.412 374 I CB 0.258 38.321 38.000 0.106 0.000 1.396 374 I HN 0.515 nan 8.210 nan 0.000 0.543 375 I N 1.310 122.001 120.570 0.201 0.000 3.102 375 I HA 0.490 4.660 4.170 -0.000 0.000 0.310 375 I C -0.472 175.766 176.117 0.201 0.000 1.246 375 I CA -0.854 60.559 61.300 0.188 0.000 0.979 375 I CB 2.134 40.269 38.000 0.225 0.000 1.267 375 I HN 0.238 nan 8.210 nan 0.000 0.451 376 S N 2.640 118.402 115.700 0.102 0.000 2.549 376 S HA 0.253 4.723 4.470 -0.000 0.000 0.279 376 S C 0.130 174.772 174.600 0.069 0.000 1.321 376 S CA -0.388 57.818 58.200 0.010 0.000 1.054 376 S CB 0.130 63.280 63.200 -0.083 0.000 0.899 376 S HN 0.573 nan 8.310 nan 0.000 0.497 377 N N 1.799 120.434 118.700 -0.108 0.000 2.294 377 N HA 0.102 4.842 4.740 -0.000 0.000 0.248 377 N C 0.889 176.319 175.510 -0.133 0.000 1.300 377 N CA -0.228 52.634 53.050 -0.313 0.000 0.925 377 N CB 0.211 38.478 38.487 -0.366 0.000 1.188 377 N HN 0.503 nan 8.380 nan 0.000 0.512 378 E N 0.058 120.172 120.200 -0.142 0.000 2.481 378 E HA -0.047 4.303 4.350 -0.000 0.000 0.195 378 E C 0.673 177.227 176.600 -0.077 0.000 1.047 378 E CA 0.470 56.828 56.400 -0.069 0.000 0.867 378 E CB 0.075 29.744 29.700 -0.051 0.000 0.858 378 E HN 0.604 nan 8.360 nan 0.000 0.513 379 E N -0.650 119.497 120.200 -0.088 0.000 2.476 379 E HA 0.091 4.440 4.350 -0.000 0.000 0.199 379 E C 0.780 177.356 176.600 -0.040 0.000 1.021 379 E CA 0.530 56.920 56.400 -0.016 0.000 0.907 379 E CB 0.210 29.933 29.700 0.038 0.000 0.974 379 E HN 0.201 nan 8.360 nan 0.000 0.489 380 G N 0.344 109.061 108.800 -0.137 0.000 2.157 380 G HA2 -0.276 3.684 3.960 -0.000 0.000 0.239 380 G HA3 -0.276 3.684 3.960 -0.000 0.000 0.239 380 G C -0.456 174.165 174.900 -0.465 0.000 0.982 380 G CA 0.316 45.231 45.100 -0.309 0.000 0.650 380 G HN 0.236 nan 8.290 nan 0.000 0.527 381 Y N 0.937 121.108 120.300 -0.214 0.000 2.342 381 Y HA 0.547 5.096 4.550 -0.000 0.000 0.334 381 Y C 0.972 176.721 175.900 -0.252 0.000 1.067 381 Y CA -0.702 57.256 58.100 -0.236 0.000 1.128 381 Y CB 1.133 39.467 38.460 -0.210 0.000 1.200 381 Y HN -0.018 nan 8.280 nan 0.000 0.464 382 K N 4.486 124.761 120.400 -0.208 0.000 2.349 382 K HA 0.237 4.556 4.320 -0.000 0.000 0.288 382 K C -0.730 175.635 176.600 -0.390 0.000 1.058 382 K CA -0.122 56.054 56.287 -0.185 0.000 0.953 382 K CB 0.281 32.703 32.500 -0.129 0.000 0.997 382 K HN 0.660 nan 8.250 nan 0.000 0.477 383 H N 1.340 120.371 119.070 -0.066 0.000 2.949 383 H HA 0.339 4.895 4.556 -0.000 0.000 0.356 383 H C -0.196 175.195 175.328 0.104 0.000 1.212 383 H CA -0.918 55.067 56.048 -0.105 0.000 1.136 383 H CB 1.469 31.043 29.762 -0.314 0.000 1.869 383 H HN 0.346 nan 8.280 nan 0.000 0.556 384 I N 1.425 122.074 120.570 0.131 0.000 2.452 384 I HA 0.016 4.185 4.170 -0.000 0.000 0.287 384 I C 0.417 176.574 176.117 0.067 0.000 1.079 384 I CA 0.197 61.538 61.300 0.068 0.000 1.387 384 I CB 0.281 38.220 38.000 -0.101 0.000 1.404 384 I HN 0.143 nan 8.210 nan 0.000 0.522 385 c N 6.754 125.310 118.600 -0.074 0.000 2.411 385 c HA 0.326 4.895 4.570 -0.000 0.000 0.330 385 c C 0.065 173.944 174.090 -0.353 0.000 1.224 385 c CA -0.432 55.594 56.329 -0.505 0.000 1.770 385 c CB 0.713 42.618 42.510 -1.007 0.000 2.297 385 c HN 0.764 nan 8.230 nan 0.000 0.507 386 H N 3.799 122.495 119.070 -0.623 0.000 2.552 386 H HA 0.496 5.052 4.556 -0.000 0.000 0.311 386 H C -1.260 173.539 175.328 -0.882 0.000 1.071 386 H CA -0.313 55.311 56.048 -0.708 0.000 1.307 386 H CB 0.476 29.947 29.762 -0.484 0.000 1.416 386 H HN 0.582 nan 8.280 nan 0.000 0.464 387 F N 2.563 121.911 119.950 -1.003 0.000 2.492 387 F HA 0.183 4.710 4.527 -0.000 0.000 0.327 387 F C 0.096 175.283 175.800 -1.021 0.000 1.079 387 F CA -0.868 56.429 58.000 -1.172 0.000 0.967 387 F CB 1.885 39.704 39.000 -1.967 0.000 1.169 387 F HN 0.513 nan 8.300 nan 0.000 0.472 388 Q N 0.599 120.124 119.800 -0.457 0.000 2.257 388 Q HA 0.303 4.642 4.340 -0.000 0.000 0.255 388 Q C 0.878 176.885 176.000 0.012 0.000 0.920 388 Q CA 0.026 55.690 55.803 -0.231 0.000 0.927 388 Q CB 1.719 30.356 28.738 -0.168 0.000 1.229 388 Q HN 0.764 nan 8.270 nan 0.000 0.433 389 T N 1.917 116.569 114.554 0.163 0.000 2.760 389 T HA -0.203 4.146 4.350 -0.000 0.000 0.269 389 T C 0.146 175.093 174.700 0.411 0.000 1.047 389 T CA 1.971 64.308 62.100 0.396 0.000 1.139 389 T CB -0.112 68.992 68.868 0.393 0.000 0.855 389 T HN 0.762 nan 8.240 nan 0.000 0.471 390 D N -0.422 120.120 120.400 0.237 0.000 2.462 390 D HA 0.146 4.785 4.640 -0.000 0.000 0.221 390 D C 0.094 176.455 176.300 0.103 0.000 1.173 390 D CA -0.333 53.762 54.000 0.159 0.000 0.831 390 D CB 0.290 41.148 40.800 0.097 0.000 1.001 390 D HN 0.078 nan 8.370 nan 0.000 0.499 391 K N 0.074 120.563 120.400 0.148 0.000 2.318 391 K HA 0.346 4.666 4.320 -0.000 0.000 0.249 391 K C 0.584 177.275 176.600 0.150 0.000 0.942 391 K CA -0.481 55.849 56.287 0.072 0.000 0.808 391 K CB 1.990 34.487 32.500 -0.004 0.000 1.189 391 K HN 0.023 nan 8.250 nan 0.000 0.428 392 S N 0.242 115.979 115.700 0.062 0.000 2.478 392 S HA -0.082 4.388 4.470 -0.000 0.000 0.222 392 S C 0.454 175.109 174.600 0.092 0.000 1.008 392 S CA 0.037 58.300 58.200 0.106 0.000 0.928 392 S CB -0.479 62.729 63.200 0.013 0.000 0.781 392 S HN 0.710 nan 8.310 nan 0.000 0.518 393 N N 1.506 120.184 118.700 -0.036 0.000 2.518 393 N HA 0.513 5.253 4.740 -0.000 0.000 0.283 393 N C -0.162 175.139 175.510 -0.349 0.000 1.119 393 N CA -0.539 52.419 53.050 -0.153 0.000 0.983 393 N CB 1.023 39.430 38.487 -0.133 0.000 1.139 393 N HN 0.497 nan 8.380 nan 0.000 0.465 394 c N -0.923 117.325 118.600 -0.587 0.000 2.771 394 c HA 0.801 5.370 4.570 -0.000 0.000 0.333 394 c C -0.371 173.304 174.090 -0.693 0.000 1.267 394 c CA -0.724 55.031 56.329 -0.957 0.000 1.721 394 c CB 1.160 42.431 42.510 -2.065 0.000 2.222 394 c HN 0.715 nan 8.230 nan 0.000 0.485 395 T N 1.977 116.157 114.554 -0.622 0.000 2.786 395 T HA 0.485 4.835 4.350 -0.000 0.000 0.283 395 T C -0.722 173.755 174.700 -0.372 0.000 0.992 395 T CA 0.131 62.020 62.100 -0.353 0.000 0.954 395 T CB 0.326 69.127 68.868 -0.112 0.000 0.934 395 T HN 0.481 nan 8.240 nan 0.000 0.440 396 F N 3.528 123.348 119.950 -0.217 0.000 2.543 396 F HA 0.209 4.736 4.527 -0.000 0.000 0.375 396 F C 1.645 177.273 175.800 -0.287 0.000 1.075 396 F CA -0.755 57.105 58.000 -0.234 0.000 1.225 396 F CB 0.357 39.227 39.000 -0.217 0.000 1.099 396 F HN 0.580 nan 8.300 nan 0.000 0.561 397 I N -0.070 120.360 120.570 -0.234 0.000 3.956 397 I HA 0.238 4.408 4.170 -0.000 0.000 0.333 397 I C 0.114 176.063 176.117 -0.280 0.000 1.302 397 I CA 0.115 61.065 61.300 -0.583 0.000 1.122 397 I CB -0.083 37.217 38.000 -1.166 0.000 1.013 397 I HN 0.503 nan 8.210 nan 0.000 0.405 398 T N -0.123 114.326 114.554 -0.175 0.000 2.896 398 T HA 0.711 5.060 4.350 -0.000 0.000 0.297 398 T C -0.812 173.548 174.700 -0.567 0.000 1.108 398 T CA -0.659 61.334 62.100 -0.178 0.000 1.004 398 T CB 2.783 71.608 68.868 -0.071 0.000 1.159 398 T HN 0.349 nan 8.240 nan 0.000 0.499 399 K N -0.003 119.893 120.400 -0.841 0.000 2.642 399 K HA 0.747 5.066 4.320 -0.000 0.000 0.290 399 K C -0.459 175.537 176.600 -1.008 0.000 1.006 399 K CA -0.313 55.131 56.287 -1.404 0.000 0.869 399 K CB 1.214 33.294 32.500 -0.700 0.000 1.499 399 K HN 1.974 nan 8.250 nan 0.000 0.403 400 G N -0.732 107.490 108.800 -0.964 0.000 2.326 400 G HA2 0.414 4.374 3.960 -0.000 0.000 0.413 400 G HA3 0.414 4.374 3.960 -0.000 0.000 0.413 400 G C -1.068 173.342 174.900 -0.817 0.000 1.444 400 G CA -0.227 44.511 45.100 -0.602 0.000 1.002 400 G HN 1.052 nan 8.290 nan 0.000 0.649 401 A N 1.124 123.598 122.820 -0.577 0.000 3.074 401 A HA 0.598 4.918 4.320 -0.000 0.000 0.251 401 A C 0.452 177.825 177.584 -0.353 0.000 1.695 401 A CA 0.733 52.193 52.037 -0.963 0.000 1.343 401 A CB -1.202 17.500 19.000 -0.496 0.000 1.078 401 A HN 1.630 nan 8.150 nan 0.000 0.644 402 W N -1.146 120.003 121.300 -0.252 0.000 2.940 402 W HA 0.716 5.376 4.660 -0.000 0.000 0.394 402 W C -0.960 175.556 176.519 -0.006 0.000 1.155 402 W CA -0.790 56.552 57.345 -0.005 0.000 1.165 402 W CB 0.457 29.909 29.460 -0.014 0.000 1.492 402 W HN 0.200 nan 8.180 nan 0.000 0.593 403 E N 0.581 120.956 120.200 0.292 0.000 2.367 403 E HA 0.441 4.791 4.350 -0.000 0.000 0.273 403 E C -1.357 175.359 176.600 0.193 0.000 0.903 403 E CA -1.084 55.283 56.400 -0.054 0.000 0.764 403 E CB 3.400 33.118 29.700 0.031 0.000 1.252 403 E HN 0.133 nan 8.360 nan 0.000 0.446 404 V N 3.570 123.466 119.914 -0.029 0.000 2.498 404 V HA 0.047 4.166 4.120 -0.000 0.000 0.279 404 V C 1.074 177.269 176.094 0.169 0.000 1.048 404 V CA -0.155 62.248 62.300 0.171 0.000 0.967 404 V CB 0.793 32.617 31.823 0.003 0.000 0.988 404 V HN 0.669 nan 8.190 nan 0.000 0.473 405 I N 3.106 123.811 120.570 0.225 0.000 2.339 405 I HA 0.265 4.435 4.170 -0.000 0.000 0.245 405 I C 1.132 177.374 176.117 0.209 0.000 1.096 405 I CA 1.137 62.568 61.300 0.218 0.000 1.408 405 I CB -0.943 37.142 38.000 0.141 0.000 1.092 405 I HN 0.746 nan 8.210 nan 0.000 0.423 406 G N 0.415 109.336 108.800 0.201 0.000 2.632 406 G HA2 0.550 4.510 3.960 -0.000 0.000 0.292 406 G HA3 0.550 4.510 3.960 -0.000 0.000 0.292 406 G C -1.328 173.653 174.900 0.135 0.000 1.465 406 G CA -0.575 44.629 45.100 0.173 0.000 0.824 406 G HN -0.035 nan 8.290 nan 0.000 0.509 407 I N 1.537 122.100 120.570 -0.012 0.000 2.325 407 I HA 0.243 4.413 4.170 -0.000 0.000 0.291 407 I C 0.871 176.896 176.117 -0.153 0.000 1.019 407 I CA -0.543 60.638 61.300 -0.199 0.000 1.302 407 I CB 1.793 39.373 38.000 -0.701 0.000 1.401 407 I HN 0.498 nan 8.210 nan 0.000 0.485 408 E N 4.650 124.833 120.200 -0.028 0.000 2.127 408 E HA 0.259 4.608 4.350 -0.000 0.000 0.191 408 E C 0.229 176.759 176.600 -0.115 0.000 0.964 408 E CA 0.415 56.833 56.400 0.030 0.000 0.832 408 E CB 0.630 30.425 29.700 0.159 0.000 0.790 408 E HN 0.722 nan 8.360 nan 0.000 0.465 409 A N 0.293 122.926 122.820 -0.312 0.000 2.609 409 A HA 0.647 4.967 4.320 -0.000 0.000 0.291 409 A C -1.885 175.615 177.584 -0.141 0.000 1.096 409 A CA -0.595 51.223 52.037 -0.364 0.000 0.684 409 A CB 1.488 19.841 19.000 -1.078 0.000 1.282 409 A HN 0.050 nan 8.150 nan 0.000 0.412 410 L N 0.904 122.101 121.223 -0.043 0.000 2.505 410 L HA 0.761 5.101 4.340 -0.000 0.000 0.266 410 L C -0.009 176.898 176.870 0.061 0.000 0.954 410 L CA 0.493 55.338 54.840 0.008 0.000 0.852 410 L CB 2.060 44.133 42.059 0.024 0.000 1.282 410 L HN 1.242 nan 8.230 nan 0.000 0.403 411 T N -0.224 114.380 114.554 0.084 0.000 2.841 411 T HA 0.466 4.816 4.350 -0.000 0.000 0.276 411 T C 1.026 175.765 174.700 0.066 0.000 1.003 411 T CA 0.077 62.240 62.100 0.105 0.000 0.995 411 T CB 1.096 70.067 68.868 0.172 0.000 1.260 411 T HN 0.663 nan 8.240 nan 0.000 0.581 412 S N -0.010 115.729 115.700 0.065 0.000 2.402 412 S HA -0.093 4.377 4.470 -0.000 0.000 0.229 412 S C 1.022 175.598 174.600 -0.041 0.000 1.021 412 S CA 1.090 59.311 58.200 0.036 0.000 0.974 412 S CB -0.529 62.697 63.200 0.043 0.000 0.800 412 S HN 0.742 nan 8.310 nan 0.000 0.484 413 D N -0.381 119.965 120.400 -0.091 0.000 2.379 413 D HA 0.233 4.873 4.640 -0.000 0.000 0.218 413 D C -0.205 175.733 176.300 -0.603 0.000 1.006 413 D CA 0.668 54.451 54.000 -0.362 0.000 0.893 413 D CB 0.189 40.703 40.800 -0.477 0.000 1.019 413 D HN 0.436 nan 8.370 nan 0.000 0.503 414 Y N -0.309 119.938 120.300 -0.088 0.000 2.605 414 Y HA 0.565 5.115 4.550 -0.000 0.000 0.343 414 Y C -0.469 175.288 175.900 -0.238 0.000 1.036 414 Y CA -1.135 56.841 58.100 -0.206 0.000 1.065 414 Y CB 2.316 40.567 38.460 -0.347 0.000 1.288 414 Y HN -0.296 nan 8.280 nan 0.000 0.481 415 L N 1.548 122.676 121.223 -0.158 0.000 2.409 415 L HA 0.605 4.944 4.340 -0.000 0.000 0.272 415 L C -2.057 174.713 176.870 -0.167 0.000 0.980 415 L CA -0.616 54.118 54.840 -0.175 0.000 0.826 415 L CB 1.277 43.133 42.059 -0.337 0.000 1.268 415 L HN 0.606 nan 8.230 nan 0.000 0.407 416 Y N 4.591 124.793 120.300 -0.164 0.000 2.360 416 Y HA 0.579 5.128 4.550 -0.000 0.000 0.337 416 Y C -0.358 175.530 175.900 -0.020 0.000 1.039 416 Y CA -0.453 57.554 58.100 -0.156 0.000 1.109 416 Y CB 1.374 39.582 38.460 -0.420 0.000 1.201 416 Y HN 0.540 nan 8.280 nan 0.000 0.458 417 Y N -0.066 120.284 120.300 0.084 0.000 2.644 417 Y HA 0.859 5.409 4.550 -0.000 0.000 0.338 417 Y C -1.723 174.264 175.900 0.146 0.000 1.119 417 Y CA -1.950 56.192 58.100 0.071 0.000 1.060 417 Y CB 1.341 39.817 38.460 0.026 0.000 1.294 417 Y HN 0.400 nan 8.280 nan 0.000 0.472 418 I N 2.650 123.369 120.570 0.248 0.000 2.474 418 I HA 0.642 4.811 4.170 -0.000 0.000 0.294 418 I C -0.612 175.660 176.117 0.259 0.000 1.005 418 I CA -0.569 60.827 61.300 0.160 0.000 1.113 418 I CB 2.135 40.212 38.000 0.129 0.000 1.289 418 I HN 0.883 nan 8.210 nan 0.000 0.436 419 S N 3.010 118.815 115.700 0.175 0.000 2.625 419 S HA 0.394 4.864 4.470 -0.000 0.000 0.271 419 S C -0.643 174.001 174.600 0.073 0.000 1.161 419 S CA -0.884 57.423 58.200 0.179 0.000 0.820 419 S CB 1.709 65.054 63.200 0.242 0.000 1.137 419 S HN 0.648 nan 8.310 nan 0.000 0.470 420 N N -0.274 118.481 118.700 0.092 0.000 2.376 420 N HA 0.152 4.891 4.740 -0.000 0.000 0.249 420 N C 0.570 176.069 175.510 -0.019 0.000 1.140 420 N CA -0.244 52.822 53.050 0.025 0.000 0.870 420 N CB 0.270 38.768 38.487 0.017 0.000 1.124 420 N HN 0.812 nan 8.380 nan 0.000 0.505 421 E N 0.192 120.233 120.200 -0.264 0.000 2.072 421 E HA -0.228 4.122 4.350 -0.000 0.000 0.191 421 E C -0.136 176.322 176.600 -0.235 0.000 0.985 421 E CA 0.411 56.422 56.400 -0.648 0.000 0.801 421 E CB -0.126 28.530 29.700 -1.740 0.000 0.750 421 E HN 0.519 nan 8.360 nan 0.000 0.452 422 H N 0.783 119.774 119.070 -0.132 0.000 3.094 422 H HA -0.052 4.504 4.556 -0.000 0.000 0.320 422 H C 0.234 175.538 175.328 -0.040 0.000 1.000 422 H CA 1.167 57.186 56.048 -0.050 0.000 1.413 422 H CB 0.332 30.090 29.762 -0.006 0.000 1.405 422 H HN 0.060 nan 8.280 nan 0.000 0.586 423 K N 2.858 123.011 120.400 -0.412 0.000 3.363 423 K HA -0.207 4.113 4.320 -0.000 0.000 0.313 423 K C 1.001 177.568 176.600 -0.056 0.000 1.259 423 K CA 1.311 57.437 56.287 -0.269 0.000 0.942 423 K CB -1.491 30.841 32.500 -0.281 0.000 1.229 423 K HN 1.108 nan 8.250 nan 0.000 0.440 424 G N -0.252 108.528 108.800 -0.033 0.000 2.203 424 G HA2 -0.353 3.607 3.960 -0.000 0.000 0.263 424 G HA3 -0.353 3.607 3.960 -0.000 0.000 0.263 424 G C 0.027 174.972 174.900 0.074 0.000 1.012 424 G CA 0.702 45.840 45.100 0.063 0.000 0.749 424 G HN 0.294 nan 8.290 nan 0.000 0.512 425 M N 0.980 120.533 119.600 -0.077 0.000 2.069 425 M HA 0.210 4.689 4.480 -0.000 0.000 0.349 425 M C -0.792 175.284 176.300 -0.373 0.000 1.194 425 M CA -1.964 53.103 55.300 -0.387 0.000 1.081 425 M CB 1.507 33.903 32.600 -0.341 0.000 1.500 425 M HN -0.055 nan 8.290 nan 0.000 0.438 426 P HA -0.080 nan 4.420 nan 0.000 0.222 426 P C 0.981 178.148 177.300 -0.221 0.000 1.147 426 P CA 1.179 64.136 63.100 -0.237 0.000 0.790 426 P CB 0.104 31.703 31.700 -0.169 0.000 0.780 427 G N -0.566 108.024 108.800 -0.351 0.000 3.233 427 G HA2 0.312 4.271 3.960 -0.000 0.000 0.227 427 G HA3 0.312 4.271 3.960 -0.000 0.000 0.227 427 G C 0.638 175.534 174.900 -0.006 0.000 1.175 427 G CA 0.078 45.094 45.100 -0.140 0.000 0.781 427 G HN 0.433 nan 8.290 nan 0.000 0.542 428 G N -0.248 108.495 108.800 -0.096 0.000 2.489 428 G HA2 0.672 4.631 3.960 -0.000 0.000 0.327 428 G HA3 0.672 4.631 3.960 -0.000 0.000 0.327 428 G C -0.920 173.866 174.900 -0.189 0.000 1.189 428 G CA -0.793 44.284 45.100 -0.037 0.000 0.962 428 G HN 0.084 nan 8.290 nan 0.000 0.486 429 R N 0.895 121.252 120.500 -0.239 0.000 2.564 429 R HA 0.461 4.800 4.340 -0.000 0.000 0.284 429 R C -1.304 174.991 176.300 -0.007 0.000 1.031 429 R CA -0.834 55.117 56.100 -0.248 0.000 0.904 429 R CB 2.154 32.078 30.300 -0.625 0.000 1.199 429 R HN 0.610 nan 8.270 nan 0.000 0.443 430 N N 1.456 120.170 118.700 0.022 0.000 2.329 430 N HA 0.310 5.050 4.740 -0.000 0.000 0.282 430 N C -1.357 174.057 175.510 -0.160 0.000 1.198 430 N CA -0.814 52.170 53.050 -0.111 0.000 0.790 430 N CB 2.728 41.043 38.487 -0.286 0.000 1.579 430 N HN 0.253 nan 8.380 nan 0.000 0.475 431 L N 2.251 123.238 121.223 -0.393 0.000 2.276 431 L HA 0.478 4.818 4.340 -0.000 0.000 0.286 431 L C -1.411 175.149 176.870 -0.518 0.000 1.061 431 L CA 0.005 54.655 54.840 -0.317 0.000 0.807 431 L CB -0.219 41.647 42.059 -0.321 0.000 1.177 431 L HN 0.393 nan 8.230 nan 0.000 0.429 432 Y N 4.190 124.166 120.300 -0.540 0.000 2.562 432 Y HA 0.670 5.220 4.550 -0.000 0.000 0.343 432 Y C -0.112 175.498 175.900 -0.483 0.000 1.025 432 Y CA -0.833 56.907 58.100 -0.599 0.000 1.082 432 Y CB 1.521 39.416 38.460 -0.941 0.000 1.264 432 Y HN 0.521 nan 8.280 nan 0.000 0.478 433 R N 2.893 123.268 120.500 -0.208 0.000 2.502 433 R HA 0.604 4.943 4.340 -0.000 0.000 0.300 433 R C -1.881 174.368 176.300 -0.086 0.000 0.984 433 R CA -0.541 55.352 56.100 -0.343 0.000 0.882 433 R CB 1.341 31.264 30.300 -0.629 0.000 1.180 433 R HN 0.909 nan 8.270 nan 0.000 0.444 434 I N 2.576 123.158 120.570 0.021 0.000 2.525 434 I HA 0.280 4.449 4.170 -0.000 0.000 0.301 434 I C -0.540 175.646 176.117 0.116 0.000 0.992 434 I CA -0.755 60.620 61.300 0.125 0.000 1.162 434 I CB 2.008 40.110 38.000 0.169 0.000 1.332 434 I HN 0.636 nan 8.210 nan 0.000 0.458 435 Q N 4.918 124.792 119.800 0.124 0.000 2.294 435 Q HA 0.174 4.514 4.340 -0.000 0.000 0.257 435 Q C 0.452 176.454 176.000 0.005 0.000 0.955 435 Q CA -0.590 55.204 55.803 -0.015 0.000 0.936 435 Q CB 1.601 30.328 28.738 -0.018 0.000 1.188 435 Q HN 0.638 nan 8.270 nan 0.000 0.420 436 L N 3.029 124.190 121.223 -0.102 0.000 2.191 436 L HA -0.225 4.114 4.340 -0.000 0.000 0.212 436 L C 1.651 178.506 176.870 -0.025 0.000 1.103 436 L CA 1.616 56.465 54.840 0.015 0.000 0.769 436 L CB -0.603 41.407 42.059 -0.082 0.000 0.908 436 L HN 0.671 nan 8.230 nan 0.000 0.438 437 N N -1.940 116.679 118.700 -0.135 0.000 2.398 437 N HA 0.003 4.743 4.740 -0.000 0.000 0.188 437 N C -0.439 174.930 175.510 -0.234 0.000 1.122 437 N CA 0.253 53.199 53.050 -0.173 0.000 0.866 437 N CB 0.104 38.507 38.487 -0.139 0.000 0.970 437 N HN 0.239 nan 8.380 nan 0.000 0.462 438 D N -0.783 119.481 120.400 -0.228 0.000 2.296 438 D HA 0.066 4.706 4.640 -0.000 0.000 0.224 438 D C -0.887 175.395 176.300 -0.031 0.000 1.324 438 D CA -0.540 53.337 54.000 -0.205 0.000 0.940 438 D CB -0.222 40.518 40.800 -0.101 0.000 1.492 438 D HN -0.047 nan 8.370 nan 0.000 0.531 439 Y N 1.444 121.740 120.300 -0.006 0.000 2.688 439 Y HA 0.070 4.620 4.550 -0.000 0.000 0.311 439 Y C 2.128 178.043 175.900 0.025 0.000 1.185 439 Y CA 0.468 58.574 58.100 0.010 0.000 1.336 439 Y CB -0.706 37.760 38.460 0.010 0.000 1.015 439 Y HN 0.329 nan 8.280 nan 0.000 0.522 440 T N -1.000 113.631 114.554 0.127 0.000 3.031 440 T HA 0.017 4.367 4.350 -0.000 0.000 0.254 440 T C 0.811 175.562 174.700 0.085 0.000 1.060 440 T CA 0.356 62.508 62.100 0.087 0.000 1.135 440 T CB 0.059 68.950 68.868 0.038 0.000 0.896 440 T HN 0.127 nan 8.240 nan 0.000 0.472 441 K N 2.600 123.050 120.400 0.083 0.000 2.231 441 K HA 0.444 4.764 4.320 -0.000 0.000 0.275 441 K C -1.298 175.367 176.600 0.108 0.000 1.105 441 K CA -0.131 56.205 56.287 0.081 0.000 0.931 441 K CB 1.042 33.583 32.500 0.067 0.000 1.296 441 K HN 0.035 nan 8.250 nan 0.000 0.446 442 V N 2.475 122.453 119.914 0.107 0.000 2.444 442 V HA 0.283 4.403 4.120 -0.000 0.000 0.294 442 V C -0.154 175.990 176.094 0.083 0.000 1.022 442 V CA -0.777 61.600 62.300 0.128 0.000 0.850 442 V CB 1.905 33.840 31.823 0.187 0.000 0.992 442 V HN 0.599 nan 8.190 nan 0.000 0.426 443 T N 3.135 117.704 114.554 0.024 0.000 2.829 443 T HA 0.279 4.629 4.350 -0.000 0.000 0.280 443 T C -0.476 174.118 174.700 -0.177 0.000 0.999 443 T CA -0.309 61.755 62.100 -0.061 0.000 0.983 443 T CB 1.487 70.297 68.868 -0.096 0.000 0.968 443 T HN 0.783 nan 8.240 nan 0.000 0.446 444 C N 5.475 124.588 119.300 -0.313 0.000 2.281 444 C HA 0.425 4.885 4.460 -0.000 0.000 0.336 444 C C 1.688 176.357 174.990 -0.535 0.000 1.217 444 C CA -0.659 57.922 59.018 -0.728 0.000 1.730 444 C CB -2.106 25.082 27.740 -0.920 0.000 2.338 444 C HN 0.983 nan 8.230 nan 0.000 0.521 445 L N 4.620 125.531 121.223 -0.521 0.000 2.478 445 L HA 0.039 4.378 4.340 -0.000 0.000 0.223 445 L C 2.138 178.725 176.870 -0.472 0.000 1.140 445 L CA 1.154 55.759 54.840 -0.393 0.000 0.842 445 L CB -0.294 41.568 42.059 -0.328 0.000 0.953 445 L HN 0.895 nan 8.230 nan 0.000 0.452 446 S N -3.621 111.695 115.700 -0.641 0.000 2.593 446 S HA -0.008 4.462 4.470 -0.000 0.000 0.235 446 S C 1.847 176.107 174.600 -0.566 0.000 1.059 446 S CA -0.067 57.673 58.200 -0.767 0.000 0.953 446 S CB -0.318 62.047 63.200 -1.391 0.000 0.897 446 S HN 0.292 nan 8.310 nan 0.000 0.507 447 C N 2.209 121.152 119.300 -0.594 0.000 2.363 447 C HA -0.072 4.388 4.460 -0.000 0.000 0.274 447 C C 2.281 177.095 174.990 -0.292 0.000 1.183 447 C CA 1.637 60.294 59.018 -0.601 0.000 1.771 447 C CB -1.082 26.113 27.740 -0.908 0.000 2.059 447 C HN 0.621 nan 8.230 nan 0.000 0.455 448 E N -0.155 119.912 120.200 -0.221 0.000 2.465 448 E HA 0.216 4.566 4.350 -0.000 0.000 0.195 448 E C 1.710 178.278 176.600 -0.053 0.000 1.028 448 E CA -0.093 56.253 56.400 -0.091 0.000 0.899 448 E CB -0.169 29.486 29.700 -0.075 0.000 1.032 448 E HN 0.568 nan 8.360 nan 0.000 0.468 449 L N -0.309 120.880 121.223 -0.056 0.000 2.056 449 L HA -0.027 4.313 4.340 -0.000 0.000 0.207 449 L C 0.071 176.961 176.870 0.033 0.000 1.078 449 L CA 1.015 55.853 54.840 -0.003 0.000 0.749 449 L CB -0.083 41.984 42.059 0.012 0.000 0.901 449 L HN 0.081 nan 8.230 nan 0.000 0.433 450 N N -1.830 116.905 118.700 0.059 0.000 2.679 450 N HA 0.077 4.816 4.740 -0.000 0.000 0.240 450 N C -2.080 173.459 175.510 0.048 0.000 1.537 450 N CA -0.542 52.532 53.050 0.040 0.000 0.793 450 N CB 0.851 39.354 38.487 0.027 0.000 1.391 450 N HN -0.110 nan 8.380 nan 0.000 0.524 451 P HA -0.233 nan 4.420 nan 0.000 0.218 451 P C 0.495 177.831 177.300 0.059 0.000 1.146 451 P CA 1.526 64.671 63.100 0.075 0.000 0.820 451 P CB 0.584 32.332 31.700 0.080 0.000 0.778 452 E N -0.535 119.683 120.200 0.030 0.000 2.102 452 E HA -0.055 4.295 4.350 -0.000 0.000 0.190 452 E C 2.288 178.888 176.600 -0.001 0.000 0.971 452 E CA 0.562 56.971 56.400 0.016 0.000 0.821 452 E CB -0.356 29.347 29.700 0.005 0.000 0.777 452 E HN 0.332 nan 8.360 nan 0.000 0.460 453 R N 0.005 120.493 120.500 -0.019 0.000 2.127 453 R HA 0.059 4.398 4.340 -0.000 0.000 0.217 453 R C 0.081 176.332 176.300 -0.083 0.000 1.074 453 R CA 0.666 56.734 56.100 -0.054 0.000 0.991 453 R CB 0.314 30.572 30.300 -0.070 0.000 0.895 453 R HN 0.007 nan 8.270 nan 0.000 0.450 454 c N 1.229 119.781 118.600 -0.080 0.000 2.321 454 c HA 0.418 4.987 4.570 -0.000 0.000 0.323 454 c C 0.001 174.050 174.090 -0.069 0.000 1.191 454 c CA -0.667 55.539 56.329 -0.204 0.000 1.455 454 c CB 1.216 43.527 42.510 -0.331 0.000 2.083 454 c HN 0.543 nan 8.230 nan 0.000 0.442 455 Q N 0.410 120.184 119.800 -0.044 0.000 2.113 455 Q HA 0.202 4.542 4.340 -0.000 0.000 0.225 455 Q C -0.932 175.155 176.000 0.146 0.000 0.786 455 Q CA 0.099 55.965 55.803 0.105 0.000 0.989 455 Q CB 1.246 30.052 28.738 0.114 0.000 1.174 455 Q HN 0.794 nan 8.270 nan 0.000 0.470 456 Y N 0.438 120.676 120.300 -0.103 0.000 2.373 456 Y HA 0.383 4.932 4.550 -0.000 0.000 0.327 456 Y C -1.710 174.157 175.900 -0.056 0.000 1.036 456 Y CA -1.115 56.986 58.100 0.002 0.000 1.265 456 Y CB 0.726 39.211 38.460 0.042 0.000 1.108 456 Y HN -0.091 nan 8.280 nan 0.000 0.471 457 Y N 1.963 122.313 120.300 0.084 0.000 2.562 457 Y HA 0.706 5.256 4.550 -0.000 0.000 0.343 457 Y C 0.129 176.104 175.900 0.125 0.000 1.025 457 Y CA -0.782 57.361 58.100 0.071 0.000 1.082 457 Y CB 2.338 40.756 38.460 -0.071 0.000 1.264 457 Y HN 0.479 nan 8.280 nan 0.000 0.478 458 S N 0.703 116.629 115.700 0.376 0.000 2.632 458 S HA 0.992 5.462 4.470 -0.000 0.000 0.289 458 S C -1.138 173.600 174.600 0.229 0.000 1.115 458 S CA -0.600 57.798 58.200 0.329 0.000 0.889 458 S CB 2.080 65.570 63.200 0.482 0.000 1.116 458 S HN 1.040 nan 8.310 nan 0.000 0.486 459 A N 0.392 123.338 122.820 0.209 0.000 2.527 459 A HA 0.894 5.214 4.320 -0.000 0.000 0.293 459 A C -0.662 177.053 177.584 0.218 0.000 1.117 459 A CA -0.706 51.416 52.037 0.142 0.000 0.723 459 A CB 1.692 20.700 19.000 0.013 0.000 1.313 459 A HN 1.428 nan 8.150 nan 0.000 0.411 460 S N 0.446 116.254 115.700 0.180 0.000 2.779 460 S HA 0.675 5.145 4.470 -0.000 0.000 0.293 460 S C -1.484 173.299 174.600 0.305 0.000 1.150 460 S CA -0.370 58.032 58.200 0.336 0.000 1.057 460 S CB -0.159 63.275 63.200 0.390 0.000 1.021 460 S HN 0.449 nan 8.310 nan 0.000 0.485 461 F N 3.172 123.223 119.950 0.168 0.000 2.379 461 F HA 0.474 5.001 4.527 -0.000 0.000 0.332 461 F C 1.408 176.885 175.800 -0.538 0.000 1.096 461 F CA -0.297 57.645 58.000 -0.096 0.000 1.105 461 F CB 1.506 40.401 39.000 -0.175 0.000 1.189 461 F HN 0.645 nan 8.300 nan 0.000 0.515 462 S N 1.231 116.379 115.700 -0.919 0.000 2.617 462 S HA 0.120 4.590 4.470 -0.000 0.000 0.259 462 S C 1.069 175.462 174.600 -0.346 0.000 1.301 462 S CA -0.419 56.989 58.200 -1.321 0.000 0.984 462 S CB 0.281 62.666 63.200 -1.359 0.000 0.954 462 S HN 0.752 nan 8.310 nan 0.000 0.572 463 N N 0.823 119.441 118.700 -0.135 0.000 2.069 463 N HA -0.206 4.534 4.740 -0.000 0.000 0.196 463 N C 1.332 176.865 175.510 0.039 0.000 1.024 463 N CA 1.632 54.701 53.050 0.031 0.000 0.869 463 N CB -0.209 38.336 38.487 0.097 0.000 1.035 463 N HN 0.644 nan 8.380 nan 0.000 0.434 464 K N 0.226 120.643 120.400 0.028 0.000 2.514 464 K HA 0.301 4.621 4.320 -0.000 0.000 0.207 464 K C -0.180 176.434 176.600 0.023 0.000 1.035 464 K CA 0.212 56.526 56.287 0.045 0.000 1.113 464 K CB 0.450 32.989 32.500 0.066 0.000 0.846 464 K HN 0.177 nan 8.250 nan 0.000 0.491 465 A N 1.003 123.820 122.820 -0.005 0.000 2.887 465 A HA -0.247 4.073 4.320 -0.000 0.000 0.257 465 A C 1.091 178.689 177.584 0.024 0.000 1.372 465 A CA 1.479 53.535 52.037 0.033 0.000 0.879 465 A CB -2.079 16.868 19.000 -0.088 0.000 1.082 465 A HN 0.564 nan 8.150 nan 0.000 0.703 466 K N -1.835 118.519 120.400 -0.077 0.000 2.217 466 K HA 0.111 4.431 4.320 -0.000 0.000 0.202 466 K C 0.065 176.338 176.600 -0.545 0.000 1.051 466 K CA 1.445 57.565 56.287 -0.277 0.000 0.952 466 K CB -0.015 32.318 32.500 -0.278 0.000 0.736 466 K HN 0.682 nan 8.250 nan 0.000 0.453 467 Y N -1.157 119.085 120.300 -0.097 0.000 2.581 467 Y HA 0.326 4.876 4.550 -0.000 0.000 0.345 467 Y C -1.001 174.803 175.900 -0.159 0.000 1.036 467 Y CA -1.343 56.686 58.100 -0.120 0.000 1.042 467 Y CB 1.721 40.145 38.460 -0.060 0.000 1.289 467 Y HN -0.031 nan 8.280 nan 0.000 0.471 468 Y N -1.110 119.185 120.300 -0.009 0.000 2.581 468 Y HA 0.547 5.097 4.550 -0.000 0.000 0.337 468 Y C -1.364 174.558 175.900 0.037 0.000 1.108 468 Y CA -1.448 56.490 58.100 -0.270 0.000 1.033 468 Y CB 1.536 39.251 38.460 -1.242 0.000 1.318 468 Y HN 0.604 nan 8.280 nan 0.000 0.459 469 Q N 3.301 123.234 119.800 0.221 0.000 2.256 469 Q HA 0.602 4.942 4.340 -0.000 0.000 0.257 469 Q C -1.891 174.197 176.000 0.147 0.000 0.936 469 Q CA -0.779 55.110 55.803 0.143 0.000 0.903 469 Q CB 1.594 30.392 28.738 0.101 0.000 1.263 469 Q HN 0.960 nan 8.270 nan 0.000 0.440 470 L N 3.786 125.094 121.223 0.141 0.000 2.317 470 L HA 0.537 4.877 4.340 -0.000 0.000 0.281 470 L C -0.738 176.132 176.870 0.000 0.000 1.024 470 L CA -0.819 54.080 54.840 0.099 0.000 0.810 470 L CB 1.458 43.553 42.059 0.060 0.000 1.240 470 L HN 0.664 nan 8.230 nan 0.000 0.427 471 R N 2.415 122.865 120.500 -0.083 0.000 2.320 471 R HA 0.272 4.612 4.340 -0.000 0.000 0.319 471 R C -0.918 174.902 176.300 -0.800 0.000 0.969 471 R CA -0.274 55.448 56.100 -0.629 0.000 0.857 471 R CB 1.230 31.180 30.300 -0.584 0.000 1.160 471 R HN 0.519 nan 8.270 nan 0.000 0.491 472 c N 4.569 122.626 118.600 -0.905 0.000 2.325 472 c HA 0.431 5.000 4.570 -0.000 0.000 0.347 472 c C 0.417 174.010 174.090 -0.829 0.000 1.263 472 c CA -0.471 55.301 56.329 -0.928 0.000 1.806 472 c CB -0.939 41.124 42.510 -0.744 0.000 2.405 472 c HN 0.966 nan 8.230 nan 0.000 0.537 473 F N 4.207 124.022 119.950 -0.225 0.000 2.678 473 F HA 0.441 4.968 4.527 -0.000 0.000 0.305 473 F C 1.471 177.234 175.800 -0.060 0.000 1.090 473 F CA 0.661 58.600 58.000 -0.102 0.000 1.272 473 F CB 0.330 39.289 39.000 -0.068 0.000 1.060 473 F HN 0.962 nan 8.300 nan 0.000 0.576 474 G N 0.102 108.916 108.800 0.024 0.000 2.324 474 G HA2 0.105 4.065 3.960 -0.000 0.000 0.293 474 G HA3 0.105 4.065 3.960 -0.000 0.000 0.293 474 G C -2.552 172.349 174.900 0.002 0.000 1.297 474 G CA -0.666 44.465 45.100 0.052 0.000 0.853 474 G HN -0.311 nan 8.290 nan 0.000 0.535 475 P HA 0.129 nan 4.420 nan 0.000 0.233 475 P C 1.220 178.559 177.300 0.065 0.000 1.167 475 P CA 1.382 64.526 63.100 0.073 0.000 0.770 475 P CB 0.319 32.053 31.700 0.056 0.000 0.837 476 G N 0.314 109.084 108.800 -0.050 0.000 2.525 476 G HA2 0.427 4.387 3.960 -0.000 0.000 0.287 476 G HA3 0.427 4.387 3.960 -0.000 0.000 0.287 476 G C -0.300 174.389 174.900 -0.352 0.000 1.350 476 G CA -0.800 44.194 45.100 -0.176 0.000 1.039 476 G HN 0.032 nan 8.290 nan 0.000 0.513 477 L N 1.156 122.081 121.223 -0.497 0.000 2.490 477 L HA 0.121 4.461 4.340 -0.000 0.000 0.274 477 L C -1.861 174.863 176.870 -0.243 0.000 1.201 477 L CA -1.149 53.365 54.840 -0.544 0.000 0.869 477 L CB 0.415 42.236 42.059 -0.396 0.000 1.123 477 L HN 0.235 nan 8.230 nan 0.000 0.484 478 P HA 0.008 nan 4.420 nan 0.000 0.265 478 P C -0.899 176.358 177.300 -0.071 0.000 1.187 478 P CA 0.078 63.137 63.100 -0.068 0.000 0.766 478 P CB 0.541 32.357 31.700 0.193 0.000 0.820 479 L N 5.051 126.121 121.223 -0.255 0.000 2.439 479 L HA 0.465 4.805 4.340 -0.000 0.000 0.270 479 L C -1.789 174.912 176.870 -0.282 0.000 0.972 479 L CA -0.628 54.129 54.840 -0.139 0.000 0.836 479 L CB 0.909 42.886 42.059 -0.137 0.000 1.255 479 L HN 0.203 nan 8.230 nan 0.000 0.404 480 Y N 2.881 123.104 120.300 -0.129 0.000 2.331 480 Y HA 0.754 5.303 4.550 -0.000 0.000 0.338 480 Y C 0.587 176.371 175.900 -0.193 0.000 0.992 480 Y CA -0.439 57.573 58.100 -0.147 0.000 1.121 480 Y CB 1.999 40.378 38.460 -0.134 0.000 1.184 480 Y HN 0.682 nan 8.280 nan 0.000 0.469 481 T N 1.372 115.905 114.554 -0.035 0.000 2.896 481 T HA 0.677 5.027 4.350 -0.000 0.000 0.297 481 T C -1.379 173.241 174.700 -0.133 0.000 1.108 481 T CA -0.949 61.083 62.100 -0.114 0.000 1.004 481 T CB 1.722 70.576 68.868 -0.023 0.000 1.159 481 T HN 0.588 nan 8.240 nan 0.000 0.499 482 L N 1.591 122.631 121.223 -0.305 0.000 2.329 482 L HA 0.650 4.990 4.340 -0.000 0.000 0.279 482 L C -1.277 175.299 176.870 -0.489 0.000 1.014 482 L CA -0.816 53.874 54.840 -0.251 0.000 0.814 482 L CB 1.302 43.236 42.059 -0.207 0.000 1.257 482 L HN 0.893 nan 8.230 nan 0.000 0.424 483 H N 1.323 120.135 119.070 -0.430 0.000 2.717 483 H HA 0.295 4.851 4.556 -0.000 0.000 0.366 483 H C -0.616 174.418 175.328 -0.489 0.000 1.132 483 H CA -0.432 55.247 56.048 -0.615 0.000 1.180 483 H CB 2.100 31.158 29.762 -1.173 0.000 1.678 483 H HN 0.433 nan 8.280 nan 0.000 0.537 484 S N 1.173 116.820 115.700 -0.090 0.000 2.475 484 S HA 0.138 4.608 4.470 -0.000 0.000 0.281 484 S C 0.683 175.243 174.600 -0.067 0.000 1.198 484 S CA -0.562 57.615 58.200 -0.038 0.000 1.063 484 S CB 0.570 63.786 63.200 0.027 0.000 0.972 484 S HN 0.676 nan 8.310 nan 0.000 0.486 485 S N 3.912 119.581 115.700 -0.053 0.000 2.442 485 S HA -0.126 4.344 4.470 -0.000 0.000 0.236 485 S C 2.228 176.847 174.600 0.032 0.000 1.007 485 S CA 1.194 59.482 58.200 0.146 0.000 0.965 485 S CB -0.498 62.797 63.200 0.157 0.000 0.773 485 S HN 0.968 nan 8.310 nan 0.000 0.504 486 S N 2.654 118.316 115.700 -0.063 0.000 2.365 486 S HA -0.146 4.323 4.470 -0.000 0.000 0.221 486 S C 1.712 176.299 174.600 -0.023 0.000 1.037 486 S CA 1.592 59.762 58.200 -0.050 0.000 1.060 486 S CB -0.620 62.535 63.200 -0.075 0.000 0.974 486 S HN 0.614 nan 8.310 nan 0.000 0.427 487 S N -0.333 115.359 115.700 -0.014 0.000 2.650 487 S HA 0.312 4.781 4.470 -0.000 0.000 0.240 487 S C -0.271 174.337 174.600 0.014 0.000 1.007 487 S CA 0.142 58.339 58.200 -0.004 0.000 0.984 487 S CB -0.069 63.127 63.200 -0.007 0.000 0.910 487 S HN 0.334 nan 8.310 nan 0.000 0.509 488 D N 1.366 121.792 120.400 0.043 0.000 2.860 488 D HA -0.181 4.458 4.640 -0.000 0.000 0.229 488 D C -0.031 176.325 176.300 0.093 0.000 1.169 488 D CA 1.227 55.286 54.000 0.098 0.000 0.737 488 D CB -1.066 39.781 40.800 0.079 0.000 1.080 488 D HN 0.676 nan 8.370 nan 0.000 0.424 489 K N 1.021 121.444 120.400 0.038 0.000 2.249 489 K HA 0.156 4.476 4.320 -0.000 0.000 0.280 489 K C 0.216 176.785 176.600 -0.051 0.000 1.033 489 K CA -0.423 55.870 56.287 0.009 0.000 0.946 489 K CB 0.776 33.267 32.500 -0.016 0.000 1.005 489 K HN 0.013 nan 8.250 nan 0.000 0.469 490 E N 5.102 125.236 120.200 -0.110 0.000 2.159 490 E HA -0.025 4.325 4.350 -0.000 0.000 0.272 490 E C 0.577 177.005 176.600 -0.287 0.000 1.138 490 E CA -0.114 56.044 56.400 -0.403 0.000 0.915 490 E CB 0.331 29.847 29.700 -0.306 0.000 1.028 490 E HN 0.650 nan 8.360 nan 0.000 0.423 491 L N 4.739 125.780 121.223 -0.304 0.000 2.017 491 L HA -0.080 4.260 4.340 -0.000 0.000 0.208 491 L C 1.222 177.989 176.870 -0.172 0.000 1.073 491 L CA 1.208 55.944 54.840 -0.174 0.000 0.745 491 L CB -0.507 41.477 42.059 -0.126 0.000 0.894 491 L HN 0.624 nan 8.230 nan 0.000 0.432 492 R N -2.364 117.994 120.500 -0.237 0.000 2.753 492 R HA 0.387 4.727 4.340 -0.000 0.000 0.272 492 R C -1.655 174.500 176.300 -0.241 0.000 1.034 492 R CA -0.921 55.059 56.100 -0.199 0.000 0.869 492 R CB 1.174 31.381 30.300 -0.155 0.000 1.264 492 R HN -0.281 nan 8.270 nan 0.000 0.481 493 V N 3.266 123.065 119.914 -0.192 0.000 2.488 493 V HA 0.156 4.275 4.120 -0.000 0.000 0.277 493 V C 1.359 177.300 176.094 -0.255 0.000 1.046 493 V CA -0.318 61.871 62.300 -0.186 0.000 0.986 493 V CB 1.111 32.863 31.823 -0.119 0.000 0.989 493 V HN 0.647 nan 8.190 nan 0.000 0.475 494 L N 2.638 123.644 121.223 -0.362 0.000 2.202 494 L HA 0.284 4.624 4.340 -0.000 0.000 0.205 494 L C 0.701 177.325 176.870 -0.410 0.000 1.083 494 L CA 0.684 55.117 54.840 -0.678 0.000 0.790 494 L CB 0.192 41.500 42.059 -1.252 0.000 0.942 494 L HN 0.696 nan 8.230 nan 0.000 0.452 495 E N 0.062 120.161 120.200 -0.169 0.000 2.406 495 E HA 0.072 4.421 4.350 -0.000 0.000 0.297 495 E C -1.148 175.482 176.600 0.050 0.000 0.917 495 E CA -0.309 56.076 56.400 -0.026 0.000 0.795 495 E CB 0.986 30.674 29.700 -0.021 0.000 1.285 495 E HN 0.152 nan 8.360 nan 0.000 0.400 496 D N 3.325 123.734 120.400 0.015 0.000 2.431 496 D HA 0.126 4.766 4.640 -0.000 0.000 0.213 496 D C -0.248 176.056 176.300 0.006 0.000 1.130 496 D CA -0.246 53.759 54.000 0.009 0.000 0.834 496 D CB -0.043 40.743 40.800 -0.022 0.000 0.985 496 D HN 0.449 nan 8.370 nan 0.000 0.504 497 N N 0.620 119.334 118.700 0.022 0.000 2.708 497 N HA -0.225 4.514 4.740 -0.000 0.000 0.249 497 N C 1.078 176.587 175.510 -0.001 0.000 1.097 497 N CA 0.934 53.994 53.050 0.017 0.000 0.710 497 N CB -1.387 37.112 38.487 0.020 0.000 1.032 497 N HN 0.497 nan 8.380 nan 0.000 0.551 498 S N -1.073 114.625 115.700 -0.003 0.000 2.383 498 S HA -0.104 4.366 4.470 -0.000 0.000 0.229 498 S C 2.088 176.694 174.600 0.011 0.000 1.030 498 S CA 1.128 59.325 58.200 -0.005 0.000 1.002 498 S CB -0.208 62.989 63.200 -0.005 0.000 0.829 498 S HN 0.506 nan 8.310 nan 0.000 0.467 499 A N 1.793 124.626 122.820 0.022 0.000 1.902 499 A HA 0.090 4.410 4.320 -0.000 0.000 0.217 499 A C 2.235 179.860 177.584 0.068 0.000 1.181 499 A CA 1.553 53.614 52.037 0.040 0.000 0.623 499 A CB -0.822 18.200 19.000 0.036 0.000 0.818 499 A HN 0.545 nan 8.150 nan 0.000 0.443 500 L N 0.286 121.550 121.223 0.070 0.000 2.093 500 L HA -0.103 4.237 4.340 -0.000 0.000 0.208 500 L C 1.841 178.748 176.870 0.061 0.000 1.085 500 L CA 2.722 57.627 54.840 0.108 0.000 0.755 500 L CB -0.749 41.372 42.059 0.103 0.000 0.904 500 L HN 0.487 nan 8.230 nan 0.000 0.435 501 D N -0.609 119.795 120.400 0.007 0.000 2.123 501 D HA -0.286 4.354 4.640 -0.000 0.000 0.196 501 D C 2.167 178.474 176.300 0.011 0.000 0.992 501 D CA 1.352 55.339 54.000 -0.022 0.000 0.833 501 D CB -0.002 40.776 40.800 -0.038 0.000 0.954 501 D HN 0.195 nan 8.370 nan 0.000 0.455 502 K N -0.158 120.262 120.400 0.033 0.000 2.097 502 K HA -0.086 4.233 4.320 -0.000 0.000 0.206 502 K C 1.998 178.646 176.600 0.080 0.000 1.049 502 K CA 1.339 57.654 56.287 0.047 0.000 0.933 502 K CB -0.223 32.306 32.500 0.048 0.000 0.717 502 K HN 0.272 nan 8.250 nan 0.000 0.442 503 M N -0.283 119.393 119.600 0.128 0.000 2.156 503 M HA -0.052 4.428 4.480 -0.000 0.000 0.264 503 M C 1.926 178.313 176.300 0.145 0.000 1.067 503 M CA 1.294 56.727 55.300 0.222 0.000 1.131 503 M CB -0.225 32.631 32.600 0.428 0.000 1.368 503 M HN 0.047 nan 8.290 nan 0.000 0.416 504 L N 0.580 121.817 121.223 0.023 0.000 2.362 504 L HA -0.181 4.159 4.340 -0.000 0.000 0.219 504 L C 2.544 179.395 176.870 -0.032 0.000 1.134 504 L CA 0.817 55.602 54.840 -0.092 0.000 0.807 504 L CB -0.723 41.267 42.059 -0.116 0.000 0.927 504 L HN 0.475 nan 8.230 nan 0.000 0.447 505 Q N -0.930 118.874 119.800 0.006 0.000 2.488 505 Q HA -0.181 4.159 4.340 -0.000 0.000 0.211 505 Q C 1.126 177.146 176.000 0.033 0.000 0.967 505 Q CA 1.093 56.903 55.803 0.011 0.000 0.926 505 Q CB -0.163 28.583 28.738 0.014 0.000 0.992 505 Q HN 0.404 nan 8.270 nan 0.000 0.506 506 D N 0.780 121.212 120.400 0.055 0.000 2.363 506 D HA 0.089 4.729 4.640 -0.000 0.000 0.214 506 D C -0.759 175.596 176.300 0.092 0.000 1.093 506 D CA -0.048 54.000 54.000 0.082 0.000 0.837 506 D CB 1.149 42.016 40.800 0.112 0.000 0.948 506 D HN 0.120 nan 8.370 nan 0.000 0.507 507 V N 0.953 120.900 119.914 0.055 0.000 2.709 507 V HA 0.286 4.406 4.120 -0.000 0.000 0.308 507 V C -0.793 175.330 176.094 0.048 0.000 1.062 507 V CA -0.685 61.651 62.300 0.061 0.000 0.901 507 V CB 2.013 33.833 31.823 -0.004 0.000 1.003 507 V HN -0.097 nan 8.190 nan 0.000 0.425 508 Q N 6.406 126.260 119.800 0.089 0.000 2.613 508 Q HA 0.246 4.585 4.340 -0.000 0.000 0.228 508 Q C -0.284 175.750 176.000 0.056 0.000 1.318 508 Q CA -0.078 55.779 55.803 0.090 0.000 0.907 508 Q CB 0.249 29.083 28.738 0.160 0.000 1.593 508 Q HN 0.599 nan 8.270 nan 0.000 0.559 509 M N 3.719 123.321 119.600 0.003 0.000 2.238 509 M HA 0.238 4.717 4.480 -0.000 0.000 0.347 509 M C -1.873 174.404 176.300 -0.038 0.000 1.173 509 M CA -2.192 53.090 55.300 -0.030 0.000 1.147 509 M CB -0.109 32.462 32.600 -0.050 0.000 1.547 509 M HN 0.285 nan 8.290 nan 0.000 0.455 510 P HA 0.244 nan 4.420 nan 0.000 0.276 510 P C -0.889 176.356 177.300 -0.091 0.000 1.261 510 P CA -0.410 62.645 63.100 -0.075 0.000 0.800 510 P CB 0.691 32.335 31.700 -0.093 0.000 1.066 511 S N -0.699 114.930 115.700 -0.119 0.000 2.568 511 S HA 0.517 4.986 4.470 -0.000 0.000 0.302 511 S C -0.507 174.014 174.600 -0.131 0.000 1.082 511 S CA -0.848 57.286 58.200 -0.109 0.000 1.009 511 S CB 1.707 64.837 63.200 -0.116 0.000 1.069 511 S HN 0.475 nan 8.310 nan 0.000 0.500 512 K N 1.435 121.782 120.400 -0.090 0.000 2.339 512 K HA 0.382 4.701 4.320 -0.000 0.000 0.264 512 K C -1.020 175.537 176.600 -0.071 0.000 0.986 512 K CA -0.472 55.766 56.287 -0.082 0.000 0.866 512 K CB 0.890 33.362 32.500 -0.047 0.000 1.103 512 K HN 0.748 nan 8.250 nan 0.000 0.441 513 K N 4.961 125.303 120.400 -0.096 0.000 2.270 513 K HA 0.350 4.670 4.320 -0.000 0.000 0.255 513 K C -1.385 175.163 176.600 -0.086 0.000 0.936 513 K CA -0.786 55.449 56.287 -0.087 0.000 0.809 513 K CB 0.950 33.374 32.500 -0.127 0.000 1.131 513 K HN 0.388 nan 8.250 nan 0.000 0.427 514 L N 3.301 124.496 121.223 -0.047 0.000 2.329 514 L HA 0.487 4.827 4.340 -0.000 0.000 0.279 514 L C -0.310 176.486 176.870 -0.123 0.000 1.014 514 L CA -0.039 54.784 54.840 -0.029 0.000 0.814 514 L CB 1.654 43.828 42.059 0.192 0.000 1.257 514 L HN 0.781 nan 8.230 nan 0.000 0.424 515 D N 0.820 120.943 120.400 -0.462 0.000 2.825 515 D HA 0.680 5.320 4.640 -0.000 0.000 0.327 515 D C -1.567 174.377 176.300 -0.592 0.000 1.277 515 D CA -0.148 53.553 54.000 -0.498 0.000 0.950 515 D CB 2.255 42.845 40.800 -0.349 0.000 1.438 515 D HN 0.119 nan 8.370 nan 0.000 0.526 516 V N 0.714 120.478 119.914 -0.250 0.000 3.102 516 V HA 0.677 4.797 4.120 -0.000 0.000 0.312 516 V C -0.331 175.948 176.094 0.308 0.000 1.135 516 V CA -0.766 61.491 62.300 -0.071 0.000 1.022 516 V CB 2.102 33.608 31.823 -0.527 0.000 1.056 516 V HN 0.563 nan 8.190 nan 0.000 0.436 517 I N -0.249 120.517 120.570 0.326 0.000 2.994 517 I HA 0.684 4.854 4.170 -0.000 0.000 0.306 517 I C -1.039 175.209 176.117 0.217 0.000 1.195 517 I CA -0.840 60.587 61.300 0.211 0.000 1.001 517 I CB 2.454 40.492 38.000 0.062 0.000 1.244 517 I HN 0.614 nan 8.210 nan 0.000 0.437 518 N N 3.729 122.512 118.700 0.137 0.000 2.421 518 N HA 0.694 5.434 4.740 -0.000 0.000 0.285 518 N C -1.703 173.927 175.510 0.199 0.000 1.027 518 N CA -0.437 52.714 53.050 0.168 0.000 0.918 518 N CB 1.319 39.857 38.487 0.085 0.000 1.152 518 N HN 0.682 nan 8.380 nan 0.000 0.485 519 L N 2.990 124.428 121.223 0.358 0.000 2.438 519 L HA 0.329 4.669 4.340 -0.000 0.000 0.270 519 L C -0.596 176.558 176.870 0.474 0.000 0.972 519 L CA -0.868 54.192 54.840 0.367 0.000 0.831 519 L CB 1.544 43.805 42.059 0.336 0.000 1.273 519 L HN 0.840 nan 8.230 nan 0.000 0.405 520 H N 1.573 120.699 119.070 0.093 0.000 2.776 520 H HA -0.180 4.376 4.556 -0.000 0.000 0.300 520 H C 1.178 176.553 175.328 0.078 0.000 1.161 520 H CA 1.165 57.252 56.048 0.064 0.000 1.147 520 H CB -1.351 28.441 29.762 0.049 0.000 1.366 520 H HN 1.043 nan 8.280 nan 0.000 0.397 521 G N -0.457 108.433 108.800 0.150 0.000 2.221 521 G HA2 -0.241 3.719 3.960 -0.000 0.000 0.265 521 G HA3 -0.241 3.719 3.960 -0.000 0.000 0.265 521 G C 0.121 175.070 174.900 0.081 0.000 1.041 521 G CA 0.600 45.756 45.100 0.092 0.000 0.807 521 G HN 0.743 nan 8.290 nan 0.000 0.502 522 T N -0.183 114.439 114.554 0.115 0.000 2.933 522 T HA 0.550 4.900 4.350 -0.000 0.000 0.305 522 T C -0.050 174.586 174.700 -0.107 0.000 1.092 522 T CA -0.576 61.486 62.100 -0.063 0.000 1.008 522 T CB 1.624 70.364 68.868 -0.214 0.000 1.102 522 T HN 0.596 nan 8.240 nan 0.000 0.469 523 K N 2.232 122.507 120.400 -0.208 0.000 2.276 523 K HA 0.599 4.919 4.320 -0.000 0.000 0.285 523 K C -1.292 175.156 176.600 -0.254 0.000 1.062 523 K CA -0.396 55.813 56.287 -0.130 0.000 0.918 523 K CB 0.438 32.867 32.500 -0.118 0.000 1.055 523 K HN 0.351 nan 8.250 nan 0.000 0.477 524 F N 1.851 121.883 119.950 0.137 0.000 2.532 524 F HA 0.389 4.916 4.527 -0.000 0.000 0.321 524 F C -0.514 175.433 175.800 0.246 0.000 1.089 524 F CA -0.847 57.283 58.000 0.216 0.000 0.926 524 F CB 1.204 40.350 39.000 0.244 0.000 1.168 524 F HN 0.503 nan 8.300 nan 0.000 0.459 525 W N 2.855 124.360 121.300 0.342 0.000 2.303 525 W HA 0.504 5.164 4.660 -0.000 0.000 0.334 525 W C -0.666 176.131 176.519 0.462 0.000 1.197 525 W CA -0.567 56.963 57.345 0.307 0.000 1.262 525 W CB 0.541 30.093 29.460 0.154 0.000 1.153 525 W HN 0.422 nan 8.180 nan 0.000 0.596 526 Y N -0.520 120.133 120.300 0.588 0.000 2.655 526 Y HA 0.688 5.238 4.550 -0.000 0.000 0.336 526 Y C -1.105 175.024 175.900 0.381 0.000 1.154 526 Y CA -1.852 56.590 58.100 0.570 0.000 1.055 526 Y CB 1.213 40.138 38.460 0.775 0.000 1.295 526 Y HN 0.557 nan 8.280 nan 0.000 0.465 527 Q N 2.020 122.028 119.800 0.347 0.000 2.379 527 Q HA 0.734 5.073 4.340 -0.000 0.000 0.278 527 Q C -1.845 174.250 176.000 0.159 0.000 1.068 527 Q CA -1.145 54.733 55.803 0.124 0.000 0.816 527 Q CB 3.327 32.135 28.738 0.117 0.000 1.387 527 Q HN 0.835 nan 8.270 nan 0.000 0.413 528 M N 2.448 122.068 119.600 0.034 0.000 2.395 528 M HA 0.477 4.956 4.480 -0.000 0.000 0.307 528 M C -1.215 175.013 176.300 -0.121 0.000 1.091 528 M CA -1.013 54.257 55.300 -0.050 0.000 0.919 528 M CB 2.184 34.717 32.600 -0.113 0.000 1.662 528 M HN 0.598 nan 8.290 nan 0.000 0.440 529 I N 4.917 125.411 120.570 -0.126 0.000 2.307 529 I HA 0.388 4.558 4.170 -0.000 0.000 0.289 529 I C -0.474 175.504 176.117 -0.231 0.000 1.021 529 I CA -0.368 60.843 61.300 -0.149 0.000 1.224 529 I CB 0.462 38.397 38.000 -0.110 0.000 1.376 529 I HN 0.631 nan 8.210 nan 0.000 0.470 530 L N 8.291 129.328 121.223 -0.311 0.000 2.295 530 L HA 0.451 4.790 4.340 -0.000 0.000 0.285 530 L C -2.206 174.507 176.870 -0.262 0.000 1.035 530 L CA -1.808 52.751 54.840 -0.468 0.000 0.806 530 L CB 1.240 42.817 42.059 -0.802 0.000 1.214 530 L HN 0.250 nan 8.230 nan 0.000 0.426 531 P HA 0.047 nan 4.420 nan 0.000 0.267 531 P C -2.426 174.920 177.300 0.077 0.000 1.200 531 P CA -0.676 62.432 63.100 0.014 0.000 0.772 531 P CB -0.093 31.695 31.700 0.148 0.000 0.855 532 P HA 0.012 nan 4.420 nan 0.000 0.270 532 P C -0.507 176.919 177.300 0.211 0.000 1.223 532 P CA 0.314 63.462 63.100 0.080 0.000 0.785 532 P CB -0.173 31.605 31.700 0.131 0.000 0.923 533 H N -2.566 116.558 119.070 0.089 0.000 2.741 533 H HA -0.221 4.335 4.556 -0.000 0.000 0.305 533 H C -0.067 175.337 175.328 0.127 0.000 1.169 533 H CA 0.047 56.147 56.048 0.087 0.000 1.144 533 H CB -2.505 27.296 29.762 0.064 0.000 1.397 533 H HN 0.283 nan 8.280 nan 0.000 0.409 534 F N 1.882 121.860 119.950 0.045 0.000 2.608 534 F HA 0.177 4.704 4.527 -0.000 0.000 0.380 534 F C 0.572 176.407 175.800 0.059 0.000 1.083 534 F CA -0.057 57.943 58.000 0.000 0.000 1.266 534 F CB 0.496 39.375 39.000 -0.201 0.000 1.076 534 F HN 0.292 nan 8.300 nan 0.000 0.574 535 D N 5.981 126.014 120.400 -0.612 0.000 2.421 535 D HA 0.183 4.823 4.640 -0.000 0.000 0.254 535 D C -0.873 175.110 176.300 -0.528 0.000 1.238 535 D CA -0.702 53.057 54.000 -0.400 0.000 0.919 535 D CB 0.696 41.413 40.800 -0.140 0.000 1.152 535 D HN 0.576 nan 8.370 nan 0.000 0.552 536 K N 1.639 121.775 120.400 -0.439 0.000 2.234 536 K HA 0.342 4.662 4.320 -0.000 0.000 0.251 536 K C 0.434 177.016 176.600 -0.030 0.000 1.011 536 K CA -0.292 55.922 56.287 -0.121 0.000 0.889 536 K CB 0.356 32.915 32.500 0.098 0.000 1.011 536 K HN 0.282 nan 8.250 nan 0.000 0.505 537 S N -1.474 114.264 115.700 0.062 0.000 1.736 537 S HA -0.175 4.294 4.470 -0.000 0.000 0.241 537 S C -0.090 174.502 174.600 -0.014 0.000 0.922 537 S CA 1.495 59.705 58.200 0.017 0.000 1.380 537 S CB -1.087 62.105 63.200 -0.013 0.000 1.705 537 S HN 0.804 nan 8.310 nan 0.000 0.532 538 K N 2.104 122.481 120.400 -0.038 0.000 2.156 538 K HA 0.375 4.694 4.320 -0.000 0.000 0.271 538 K C -0.909 175.665 176.600 -0.043 0.000 0.995 538 K CA -0.429 55.777 56.287 -0.135 0.000 0.890 538 K CB 0.594 32.907 32.500 -0.312 0.000 1.073 538 K HN 0.115 nan 8.250 nan 0.000 0.454 539 K N 3.887 124.230 120.400 -0.094 0.000 2.268 539 K HA 0.166 4.486 4.320 -0.000 0.000 0.276 539 K C -1.151 175.425 176.600 -0.041 0.000 1.080 539 K CA -0.466 55.827 56.287 0.011 0.000 0.910 539 K CB 0.550 33.033 32.500 -0.028 0.000 1.163 539 K HN 0.373 nan 8.250 nan 0.000 0.465 540 Y N 3.429 123.751 120.300 0.037 0.000 2.320 540 Y HA 0.208 4.758 4.550 -0.000 0.000 0.324 540 Y C -1.778 174.056 175.900 -0.111 0.000 1.190 540 Y CA -2.464 55.636 58.100 -0.000 0.000 1.215 540 Y CB 0.330 38.865 38.460 0.125 0.000 1.221 540 Y HN 0.492 nan 8.280 nan 0.000 0.486 541 P HA 0.189 nan 4.420 nan 0.000 0.274 541 P C -1.261 175.871 177.300 -0.280 0.000 1.237 541 P CA -0.264 62.522 63.100 -0.523 0.000 0.793 541 P CB 1.530 32.512 31.700 -1.197 0.000 0.977 542 L N 2.489 123.570 121.223 -0.237 0.000 2.409 542 L HA 0.548 4.888 4.340 -0.000 0.000 0.272 542 L C -1.492 175.549 176.870 0.285 0.000 0.980 542 L CA -0.941 53.927 54.840 0.046 0.000 0.826 542 L CB 1.613 43.703 42.059 0.052 0.000 1.268 542 L HN 0.152 nan 8.230 nan 0.000 0.407 543 L N 6.094 127.502 121.223 0.308 0.000 2.313 543 L HA 0.631 4.971 4.340 -0.000 0.000 0.283 543 L C -1.160 175.927 176.870 0.362 0.000 1.013 543 L CA -0.244 54.840 54.840 0.406 0.000 0.816 543 L CB 1.273 43.525 42.059 0.322 0.000 1.236 543 L HN 0.448 nan 8.230 nan 0.000 0.419 544 I N 4.202 125.038 120.570 0.443 0.000 2.331 544 I HA 0.337 4.507 4.170 -0.000 0.000 0.292 544 I C 0.143 176.511 176.117 0.418 0.000 0.998 544 I CA -0.159 61.391 61.300 0.416 0.000 1.267 544 I CB 1.227 39.521 38.000 0.491 0.000 1.386 544 I HN 0.719 nan 8.210 nan 0.000 0.476 545 E N 5.906 126.316 120.200 0.351 0.000 2.133 545 E HA 0.496 4.846 4.350 -0.000 0.000 0.274 545 E C -1.545 175.139 176.600 0.140 0.000 0.930 545 E CA -0.432 56.096 56.400 0.214 0.000 0.770 545 E CB 2.065 31.960 29.700 0.325 0.000 1.104 545 E HN 0.423 nan 8.360 nan 0.000 0.403 546 V N 5.810 125.746 119.914 0.036 0.000 2.769 546 V HA 0.387 4.507 4.120 -0.000 0.000 0.312 546 V C -1.060 175.147 176.094 0.189 0.000 1.061 546 V CA -0.267 62.123 62.300 0.150 0.000 0.931 546 V CB 1.711 33.636 31.823 0.171 0.000 1.010 546 V HN 0.942 nan 8.190 nan 0.000 0.433 547 Y N 4.869 125.237 120.300 0.114 0.000 3.154 547 Y HA 0.469 5.018 4.550 -0.000 0.000 0.179 547 Y C 1.611 177.636 175.900 0.209 0.000 0.900 547 Y CA 0.266 58.451 58.100 0.141 0.000 1.743 547 Y CB 0.510 39.036 38.460 0.108 0.000 1.362 547 Y HN 0.919 nan 8.280 nan 0.000 0.414 548 A N 1.252 124.063 122.820 -0.015 0.000 2.979 548 A HA -0.204 4.115 4.320 -0.000 0.000 0.260 548 A C 0.684 178.031 177.584 -0.396 0.000 1.282 548 A CA 0.944 52.907 52.037 -0.123 0.000 0.971 548 A CB -2.535 16.554 19.000 0.148 0.000 1.124 548 A HN 0.834 nan 8.150 nan 0.000 0.826 549 G N -0.498 107.785 108.800 -0.862 0.000 2.634 549 G HA2 0.498 4.458 3.960 -0.000 0.000 0.255 549 G HA3 0.498 4.458 3.960 -0.000 0.000 0.255 549 G C -1.965 172.449 174.900 -0.810 0.000 1.205 549 G CA -0.661 43.573 45.100 -1.444 0.000 0.884 549 G HN 0.384 nan 8.290 nan 0.000 0.549 550 P HA 0.025 nan 4.420 nan 0.000 0.263 550 P C 0.611 177.695 177.300 -0.359 0.000 1.195 550 P CA 0.262 63.008 63.100 -0.591 0.000 0.762 550 P CB 0.721 31.665 31.700 -1.261 0.000 0.799 551 C N 2.301 121.471 119.300 -0.216 0.000 4.465 551 C HA -0.155 4.305 4.460 -0.000 0.000 0.274 551 C C 1.142 176.091 174.990 -0.069 0.000 1.337 551 C CA 1.150 60.032 59.018 -0.226 0.000 1.822 551 C CB -2.592 24.867 27.740 -0.468 0.000 1.357 551 C HN 0.812 nan 8.230 nan 0.000 0.753 552 S N 0.120 115.706 115.700 -0.191 0.000 2.593 552 S HA 0.458 4.927 4.470 -0.000 0.000 0.269 552 S C -0.486 174.112 174.600 -0.003 0.000 1.334 552 S CA 0.425 58.443 58.200 -0.303 0.000 1.015 552 S CB 1.445 63.886 63.200 -1.266 0.000 0.912 552 S HN 0.835 nan 8.310 nan 0.000 0.541 553 Q N 0.145 120.051 119.800 0.176 0.000 2.650 553 Q HA 0.330 4.670 4.340 -0.000 0.000 0.239 553 Q C -0.344 175.797 176.000 0.235 0.000 0.893 553 Q CA -0.626 55.322 55.803 0.243 0.000 0.755 553 Q CB 0.826 29.783 28.738 0.364 0.000 1.349 553 Q HN 0.613 nan 8.270 nan 0.000 0.461 554 K N 1.505 122.022 120.400 0.195 0.000 2.356 554 K HA 0.194 4.514 4.320 -0.000 0.000 0.195 554 K C -0.133 176.575 176.600 0.180 0.000 1.037 554 K CA 0.391 56.812 56.287 0.224 0.000 1.014 554 K CB 0.851 33.495 32.500 0.240 0.000 0.815 554 K HN 0.402 nan 8.250 nan 0.000 0.507 555 V N 3.834 123.850 119.914 0.171 0.000 2.333 555 V HA 0.153 4.273 4.120 -0.000 0.000 0.274 555 V C -0.474 175.681 176.094 0.102 0.000 1.028 555 V CA -0.690 61.708 62.300 0.163 0.000 0.851 555 V CB 1.085 33.051 31.823 0.237 0.000 1.000 555 V HN 0.299 nan 8.190 nan 0.000 0.456 556 D N 2.311 122.754 120.400 0.072 0.000 2.759 556 D HA 0.323 4.962 4.640 -0.000 0.000 0.321 556 D C 0.295 176.613 176.300 0.030 0.000 1.267 556 D CA -0.097 53.935 54.000 0.054 0.000 0.933 556 D CB 1.528 42.361 40.800 0.056 0.000 1.431 556 D HN 0.347 nan 8.370 nan 0.000 0.504 557 T N -2.045 112.547 114.554 0.063 0.000 3.258 557 T HA 0.405 4.755 4.350 -0.000 0.000 0.263 557 T C 0.128 174.821 174.700 -0.013 0.000 0.983 557 T CA -0.445 61.687 62.100 0.054 0.000 0.907 557 T CB -0.764 68.170 68.868 0.111 0.000 1.096 557 T HN 0.270 nan 8.240 nan 0.000 0.556 558 V N 2.379 122.193 119.914 -0.166 0.000 2.607 558 V HA 0.422 4.542 4.120 -0.000 0.000 0.289 558 V C 0.002 176.084 176.094 -0.020 0.000 1.053 558 V CA -1.095 61.086 62.300 -0.198 0.000 0.996 558 V CB 0.628 32.192 31.823 -0.432 0.000 0.995 558 V HN 0.614 nan 8.190 nan 0.000 0.476 559 F N 6.099 126.013 119.950 -0.060 0.000 2.410 559 F HA 0.602 5.129 4.527 -0.000 0.000 0.348 559 F C 0.407 176.199 175.800 -0.014 0.000 1.106 559 F CA -0.186 57.795 58.000 -0.032 0.000 1.163 559 F CB 0.318 39.313 39.000 -0.009 0.000 1.129 559 F HN 0.412 nan 8.300 nan 0.000 0.516 560 R N 5.877 125.857 120.500 -0.866 0.000 2.604 560 R HA 0.444 4.783 4.340 -0.000 0.000 0.281 560 R C -2.001 173.853 176.300 -0.744 0.000 1.020 560 R CA -1.208 54.531 56.100 -0.601 0.000 0.899 560 R CB 1.874 32.016 30.300 -0.263 0.000 1.205 560 R HN 0.454 nan 8.270 nan 0.000 0.450 561 L N 2.822 123.786 121.223 -0.433 0.000 2.272 561 L HA 0.368 4.708 4.340 -0.000 0.000 0.284 561 L C 0.012 176.866 176.870 -0.026 0.000 1.045 561 L CA 0.163 54.825 54.840 -0.297 0.000 0.842 561 L CB 0.696 42.758 42.059 0.004 0.000 1.224 561 L HN 0.798 nan 8.230 nan 0.000 0.430 562 S N 1.791 117.394 115.700 -0.160 0.000 2.810 562 S HA 0.334 4.804 4.470 -0.000 0.000 0.315 562 S C 0.555 174.843 174.600 -0.521 0.000 1.138 562 S CA -0.692 57.351 58.200 -0.262 0.000 0.889 562 S CB 0.722 63.857 63.200 -0.108 0.000 1.236 562 S HN 0.511 nan 8.310 nan 0.000 0.548 563 W N 1.362 122.062 121.300 -1.000 0.000 2.338 563 W HA 0.019 4.679 4.660 -0.000 0.000 0.304 563 W C 2.416 178.870 176.519 -0.109 0.000 1.212 563 W CA 2.253 59.205 57.345 -0.654 0.000 1.264 563 W CB -1.094 28.146 29.460 -0.366 0.000 1.142 563 W HN 0.848 nan 8.180 nan 0.000 0.512 564 A N -0.332 122.445 122.820 -0.073 0.000 1.940 564 A HA -0.227 4.093 4.320 -0.000 0.000 0.219 564 A C 1.954 179.433 177.584 -0.175 0.000 1.176 564 A CA 2.618 54.551 52.037 -0.173 0.000 0.631 564 A CB -1.354 17.640 19.000 -0.010 0.000 0.814 564 A HN 0.311 nan 8.150 nan 0.000 0.446 565 T N -1.168 113.306 114.554 -0.133 0.000 2.720 565 T HA -0.226 4.124 4.350 -0.000 0.000 0.268 565 T C 1.798 176.530 174.700 0.054 0.000 1.037 565 T CA 1.855 63.868 62.100 -0.145 0.000 1.144 565 T CB -0.479 68.161 68.868 -0.381 0.000 0.864 565 T HN 0.726 nan 8.240 nan 0.000 0.444 566 Y N 1.977 122.355 120.300 0.130 0.000 2.163 566 Y HA 0.034 4.584 4.550 -0.000 0.000 0.288 566 Y C 1.945 177.842 175.900 -0.005 0.000 1.136 566 Y CA 0.817 59.036 58.100 0.198 0.000 1.147 566 Y CB -0.777 37.792 38.460 0.182 0.000 0.987 566 Y HN 0.113 nan 8.280 nan 0.000 0.509 567 L N 0.447 121.191 121.223 -0.798 0.000 2.079 567 L HA -0.236 4.104 4.340 -0.000 0.000 0.210 567 L C 2.831 179.453 176.870 -0.414 0.000 1.081 567 L CA 1.396 55.729 54.840 -0.845 0.000 0.752 567 L CB -1.039 40.579 42.059 -0.735 0.000 0.896 567 L HN 0.433 nan 8.230 nan 0.000 0.433 568 A N -1.122 121.546 122.820 -0.254 0.000 1.855 568 A HA -0.180 4.140 4.320 -0.000 0.000 0.213 568 A C 2.526 180.076 177.584 -0.057 0.000 1.195 568 A CA 1.749 53.709 52.037 -0.128 0.000 0.610 568 A CB -0.697 18.229 19.000 -0.124 0.000 0.837 568 A HN 0.320 nan 8.150 nan 0.000 0.444 569 S N -1.179 114.503 115.700 -0.029 0.000 2.348 569 S HA -0.126 4.344 4.470 -0.000 0.000 0.221 569 S C 2.018 176.661 174.600 0.073 0.000 1.033 569 S CA 2.329 60.564 58.200 0.058 0.000 1.010 569 S CB -0.423 62.861 63.200 0.140 0.000 0.891 569 S HN 0.586 nan 8.310 nan 0.000 0.442 570 T N 1.237 115.811 114.554 0.033 0.000 2.983 570 T HA 0.167 4.517 4.350 -0.000 0.000 0.250 570 T C 1.274 175.968 174.700 -0.010 0.000 1.037 570 T CA 0.576 62.713 62.100 0.061 0.000 1.142 570 T CB -0.083 68.913 68.868 0.214 0.000 0.876 570 T HN 0.337 nan 8.240 nan 0.000 0.455 571 E N 1.278 121.384 120.200 -0.157 0.000 2.474 571 E HA 0.174 4.524 4.350 -0.000 0.000 0.195 571 E C -0.164 176.429 176.600 -0.013 0.000 1.039 571 E CA -0.129 56.214 56.400 -0.094 0.000 0.881 571 E CB -0.352 29.234 29.700 -0.191 0.000 0.970 571 E HN 0.491 nan 8.360 nan 0.000 0.486 572 N N 0.861 119.574 118.700 0.022 0.000 2.714 572 N HA -0.197 4.543 4.740 -0.000 0.000 0.252 572 N C -0.916 174.708 175.510 0.189 0.000 1.014 572 N CA 0.362 53.501 53.050 0.148 0.000 0.735 572 N CB -1.167 37.434 38.487 0.189 0.000 0.924 572 N HN 0.247 nan 8.380 nan 0.000 0.540 573 I N 0.733 121.339 120.570 0.060 0.000 2.404 573 I HA 0.360 4.530 4.170 -0.000 0.000 0.293 573 I C 0.562 176.680 176.117 0.003 0.000 0.992 573 I CA -0.863 60.473 61.300 0.060 0.000 1.149 573 I CB 1.362 39.393 38.000 0.053 0.000 1.315 573 I HN 0.042 nan 8.210 nan 0.000 0.446 574 I N 6.387 126.962 120.570 0.008 0.000 2.441 574 I HA 0.191 4.360 4.170 -0.000 0.000 0.287 574 I C -0.424 175.681 176.117 -0.021 0.000 1.049 574 I CA -0.444 60.811 61.300 -0.074 0.000 1.381 574 I CB 1.133 39.083 38.000 -0.084 0.000 1.409 574 I HN 0.193 nan 8.210 nan 0.000 0.523 575 V N 6.383 126.271 119.914 -0.044 0.000 2.357 575 V HA 0.663 4.783 4.120 -0.000 0.000 0.284 575 V C 0.218 176.331 176.094 0.031 0.000 1.018 575 V CA -0.462 61.856 62.300 0.030 0.000 0.841 575 V CB 1.236 33.072 31.823 0.022 0.000 0.991 575 V HN 0.848 nan 8.190 nan 0.000 0.437 576 A N 3.793 126.657 122.820 0.073 0.000 2.380 576 A HA 0.947 5.267 4.320 -0.000 0.000 0.315 576 A C -0.271 177.445 177.584 0.220 0.000 1.101 576 A CA -0.527 51.550 52.037 0.067 0.000 0.771 576 A CB 1.920 20.807 19.000 -0.187 0.000 1.287 576 A HN 0.670 nan 8.150 nan 0.000 0.436 577 S N -0.212 115.665 115.700 0.294 0.000 2.570 577 S HA 0.798 5.268 4.470 -0.000 0.000 0.286 577 S C -1.520 173.414 174.600 0.557 0.000 1.099 577 S CA -0.284 58.139 58.200 0.372 0.000 0.913 577 S CB 1.336 64.706 63.200 0.283 0.000 1.085 577 S HN 0.797 nan 8.310 nan 0.000 0.480 578 F N 1.772 121.930 119.950 0.347 0.000 2.574 578 F HA 0.473 5.000 4.527 -0.000 0.000 0.313 578 F C -1.630 174.330 175.800 0.267 0.000 1.130 578 F CA -0.855 57.368 58.000 0.371 0.000 0.936 578 F CB 1.511 40.724 39.000 0.355 0.000 1.219 578 F HN 0.373 nan 8.300 nan 0.000 0.445 579 D N 4.422 124.544 120.400 -0.463 0.000 2.443 579 D HA 0.424 5.063 4.640 -0.000 0.000 0.221 579 D C 0.335 176.150 176.300 -0.808 0.000 1.097 579 D CA 0.160 53.926 54.000 -0.390 0.000 0.865 579 D CB 1.542 42.324 40.800 -0.031 0.000 1.034 579 D HN 0.780 nan 8.370 nan 0.000 0.511 580 G N 1.378 109.738 108.800 -0.733 0.000 2.849 580 G HA2 0.291 4.250 3.960 -0.000 0.000 0.174 580 G HA3 0.291 4.250 3.960 -0.000 0.000 0.174 580 G C 0.038 174.748 174.900 -0.317 0.000 1.370 580 G CA -0.631 44.006 45.100 -0.771 0.000 1.040 580 G HN 0.272 nan 8.290 nan 0.000 0.582 581 R N -0.626 119.702 120.500 -0.286 0.000 2.585 581 R HA 0.395 4.734 4.340 -0.000 0.000 0.275 581 R C 1.308 177.627 176.300 0.032 0.000 1.018 581 R CA 1.991 58.083 56.100 -0.013 0.000 1.072 581 R CB 0.411 30.720 30.300 0.016 0.000 0.953 581 R HN 1.236 nan 8.270 nan 0.000 0.419 582 G N 1.453 110.291 108.800 0.064 0.000 2.258 582 G HA2 -0.327 3.633 3.960 -0.000 0.000 0.233 582 G HA3 -0.327 3.633 3.960 -0.000 0.000 0.233 582 G C 0.066 174.939 174.900 -0.045 0.000 1.006 582 G CA 0.176 45.293 45.100 0.027 0.000 0.620 582 G HN 0.810 nan 8.290 nan 0.000 0.511 583 S N 0.444 116.116 115.700 -0.047 0.000 2.580 583 S HA 0.599 5.068 4.470 -0.000 0.000 0.266 583 S C 0.908 175.461 174.600 -0.079 0.000 1.354 583 S CA 0.498 58.656 58.200 -0.070 0.000 1.008 583 S CB 1.655 64.841 63.200 -0.022 0.000 0.898 583 S HN 1.691 nan 8.310 nan 0.000 0.555 584 G N -1.037 107.689 108.800 -0.123 0.000 2.705 584 G HA2 0.502 4.462 3.960 -0.000 0.000 0.299 584 G HA3 0.502 4.462 3.960 -0.000 0.000 0.299 584 G C -0.942 173.807 174.900 -0.251 0.000 1.315 584 G CA -1.068 43.815 45.100 -0.362 0.000 1.045 584 G HN 0.924 nan 8.290 nan 0.000 0.517 585 Y N -2.336 117.960 120.300 -0.008 0.000 4.604 585 Y HA -0.220 4.330 4.550 -0.000 0.000 0.230 585 Y C 1.387 177.297 175.900 0.017 0.000 1.066 585 Y CA 1.136 59.241 58.100 0.009 0.000 1.990 585 Y CB -2.120 36.364 38.460 0.039 0.000 1.619 585 Y HN 0.523 nan 8.280 nan 0.000 0.649 586 Q N -0.056 119.754 119.800 0.017 0.000 2.086 586 Q HA 0.505 4.845 4.340 -0.000 0.000 0.220 586 Q C 0.897 176.786 176.000 -0.184 0.000 0.792 586 Q CA 0.205 56.036 55.803 0.047 0.000 1.062 586 Q CB 1.609 30.383 28.738 0.060 0.000 1.198 586 Q HN 0.579 nan 8.270 nan 0.000 0.466 587 G N 0.758 109.309 108.800 -0.415 0.000 2.690 587 G HA2 -0.180 3.779 3.960 -0.000 0.000 0.686 587 G HA3 -0.180 3.779 3.960 -0.000 0.000 0.686 587 G C -0.453 174.062 174.900 -0.641 0.000 1.277 587 G CA -0.563 44.018 45.100 -0.865 0.000 0.799 587 G HN 0.129 nan 8.290 nan 0.000 0.613 588 D N 0.010 119.983 120.400 -0.711 0.000 2.264 588 D HA -0.058 4.582 4.640 -0.000 0.000 0.208 588 D C 2.161 178.125 176.300 -0.560 0.000 0.966 588 D CA 1.283 54.784 54.000 -0.831 0.000 0.864 588 D CB 0.060 40.300 40.800 -0.933 0.000 0.933 588 D HN 0.614 nan 8.370 nan 0.000 0.499 589 K N 0.526 120.691 120.400 -0.392 0.000 2.057 589 K HA -0.134 4.186 4.320 -0.000 0.000 0.207 589 K C 1.849 178.372 176.600 -0.129 0.000 1.049 589 K CA 0.823 56.986 56.287 -0.207 0.000 0.931 589 K CB 0.103 32.507 32.500 -0.160 0.000 0.714 589 K HN -0.045 nan 8.250 nan 0.000 0.440 590 I N 1.266 121.747 120.570 -0.149 0.000 2.133 590 I HA -0.247 3.923 4.170 -0.000 0.000 0.238 590 I C 2.555 178.661 176.117 -0.018 0.000 1.074 590 I CA 1.337 62.625 61.300 -0.020 0.000 1.342 590 I CB -1.040 36.960 38.000 -0.000 0.000 1.053 590 I HN 0.385 nan 8.210 nan 0.000 0.404 591 M N 0.105 119.624 119.600 -0.134 0.000 2.080 591 M HA -0.239 4.241 4.480 -0.000 0.000 0.260 591 M C 2.155 178.504 176.300 0.080 0.000 1.068 591 M CA 1.902 57.157 55.300 -0.076 0.000 1.109 591 M CB -0.420 32.042 32.600 -0.230 0.000 1.342 591 M HN 0.281 nan 8.290 nan 0.000 0.405 592 H N -0.739 118.198 119.070 -0.221 0.000 2.556 592 H HA 0.121 4.677 4.556 -0.000 0.000 0.268 592 H C 1.852 177.186 175.328 0.010 0.000 0.996 592 H CA 0.092 56.016 56.048 -0.208 0.000 1.157 592 H CB 0.048 29.590 29.762 -0.366 0.000 1.355 592 H HN 0.537 nan 8.280 nan 0.000 0.597 593 A N 1.645 124.570 122.820 0.176 0.000 2.024 593 A HA -0.142 4.178 4.320 -0.000 0.000 0.220 593 A C 2.105 179.878 177.584 0.314 0.000 1.164 593 A CA 1.154 53.342 52.037 0.251 0.000 0.643 593 A CB -0.674 18.471 19.000 0.241 0.000 0.806 593 A HN 0.592 nan 8.150 nan 0.000 0.451 594 I N -3.274 117.431 120.570 0.226 0.000 3.861 594 I HA 0.153 4.323 4.170 -0.000 0.000 0.329 594 I C 0.404 176.560 176.117 0.064 0.000 1.321 594 I CA -0.444 60.913 61.300 0.095 0.000 1.126 594 I CB -0.619 37.417 38.000 0.060 0.000 1.018 594 I HN 0.206 nan 8.210 nan 0.000 0.407 595 N N 3.053 121.850 118.700 0.161 0.000 2.359 595 N HA -0.076 4.663 4.740 -0.000 0.000 0.261 595 N C 0.153 175.647 175.510 -0.027 0.000 1.267 595 N CA 0.286 53.428 53.050 0.154 0.000 0.864 595 N CB 0.325 38.876 38.487 0.108 0.000 1.063 595 N HN 0.394 nan 8.380 nan 0.000 0.474 596 R N 0.448 120.907 120.500 -0.068 0.000 4.000 596 R HA -0.202 4.137 4.340 -0.000 0.000 0.362 596 R C -0.260 175.900 176.300 -0.234 0.000 1.183 596 R CA 1.499 57.500 56.100 -0.165 0.000 1.011 596 R CB -1.513 28.679 30.300 -0.181 0.000 1.501 596 R HN 0.771 nan 8.270 nan 0.000 0.553 597 R N -0.085 120.310 120.500 -0.174 0.000 2.583 597 R HA 0.276 4.616 4.340 -0.000 0.000 0.282 597 R C -0.447 175.812 176.300 -0.067 0.000 1.288 597 R CA -0.689 55.357 56.100 -0.089 0.000 1.415 597 R CB 0.269 30.448 30.300 -0.202 0.000 1.331 597 R HN -0.032 nan 8.270 nan 0.000 0.719 598 L N 0.954 122.119 121.223 -0.096 0.000 2.483 598 L HA 0.218 4.557 4.340 -0.000 0.000 0.276 598 L C 1.240 178.265 176.870 0.258 0.000 1.213 598 L CA 1.487 56.332 54.840 0.007 0.000 0.843 598 L CB 0.582 42.449 42.059 -0.321 0.000 1.107 598 L HN 0.856 nan 8.230 nan 0.000 0.487 599 G N 0.908 109.952 108.800 0.407 0.000 2.157 599 G HA2 -0.309 3.650 3.960 -0.000 0.000 0.248 599 G HA3 -0.309 3.650 3.960 -0.000 0.000 0.248 599 G C 0.540 175.515 174.900 0.123 0.000 0.979 599 G CA 0.614 45.915 45.100 0.335 0.000 0.650 599 G HN 0.785 nan 8.290 nan 0.000 0.529 600 T N -2.824 111.770 114.554 0.066 0.000 3.507 600 T HA 0.458 4.807 4.350 -0.000 0.000 0.197 600 T C 1.748 176.508 174.700 0.100 0.000 0.847 600 T CA 1.058 63.149 62.100 -0.015 0.000 1.531 600 T CB -0.204 68.512 68.868 -0.255 0.000 1.834 600 T HN 0.113 nan 8.240 nan 0.000 0.433 601 F N 3.515 123.508 119.950 0.072 0.000 2.126 601 F HA 0.048 4.575 4.527 -0.000 0.000 0.299 601 F C 2.813 178.617 175.800 0.008 0.000 1.096 601 F CA 1.095 59.106 58.000 0.019 0.000 1.255 601 F CB -0.938 38.056 39.000 -0.011 0.000 0.997 601 F HN 0.502 nan 8.300 nan 0.000 0.479 602 E N 1.031 121.367 120.200 0.226 0.000 2.150 602 E HA -0.149 4.200 4.350 -0.000 0.000 0.193 602 E C 2.325 179.019 176.600 0.157 0.000 0.985 602 E CA 1.466 57.960 56.400 0.156 0.000 0.814 602 E CB -1.305 28.485 29.700 0.150 0.000 0.752 602 E HN 0.334 nan 8.360 nan 0.000 0.466 603 V N 1.084 121.085 119.914 0.144 0.000 2.323 603 V HA -0.195 3.924 4.120 -0.000 0.000 0.244 603 V C 2.045 178.193 176.094 0.091 0.000 1.041 603 V CA 2.118 64.469 62.300 0.085 0.000 1.025 603 V CB -0.290 31.535 31.823 0.004 0.000 0.656 603 V HN 0.173 nan 8.190 nan 0.000 0.451 604 E N -0.074 120.196 120.200 0.116 0.000 2.097 604 E HA -0.261 4.088 4.350 -0.000 0.000 0.196 604 E C 1.946 178.600 176.600 0.090 0.000 1.000 604 E CA 1.809 58.279 56.400 0.116 0.000 0.804 604 E CB -0.226 29.578 29.700 0.173 0.000 0.740 604 E HN 0.643 nan 8.360 nan 0.000 0.454 605 D N 0.194 120.645 120.400 0.085 0.000 2.178 605 D HA -0.132 4.508 4.640 -0.000 0.000 0.201 605 D C 1.990 178.346 176.300 0.093 0.000 0.980 605 D CA 0.765 54.805 54.000 0.067 0.000 0.842 605 D CB -0.094 40.740 40.800 0.057 0.000 0.948 605 D HN 0.109 nan 8.370 nan 0.000 0.472 606 Q N 0.045 119.942 119.800 0.162 0.000 2.119 606 Q HA -0.034 4.306 4.340 -0.000 0.000 0.201 606 Q C 2.535 178.611 176.000 0.127 0.000 0.972 606 Q CA 0.515 56.430 55.803 0.186 0.000 0.847 606 Q CB -0.040 28.818 28.738 0.201 0.000 0.903 606 Q HN 0.432 nan 8.270 nan 0.000 0.433 607 I N 0.660 121.308 120.570 0.131 0.000 2.202 607 I HA -0.221 3.949 4.170 -0.000 0.000 0.242 607 I C 2.460 178.574 176.117 -0.005 0.000 1.091 607 I CA 0.921 62.326 61.300 0.176 0.000 1.368 607 I CB -0.231 37.862 38.000 0.156 0.000 1.058 607 I HN 0.126 nan 8.210 nan 0.000 0.410 608 E N 1.280 121.440 120.200 -0.067 0.000 2.058 608 E HA -0.222 4.128 4.350 -0.000 0.000 0.194 608 E C 2.259 178.640 176.600 -0.364 0.000 0.997 608 E CA 1.680 57.986 56.400 -0.156 0.000 0.801 608 E CB -0.161 29.489 29.700 -0.083 0.000 0.746 608 E HN 0.452 nan 8.360 nan 0.000 0.450 609 A N 0.057 122.529 122.820 -0.581 0.000 1.902 609 A HA -0.167 4.153 4.320 -0.000 0.000 0.217 609 A C 2.460 179.360 177.584 -1.140 0.000 1.181 609 A CA 2.272 53.642 52.037 -1.112 0.000 0.623 609 A CB -0.898 17.026 19.000 -1.794 0.000 0.818 609 A HN 0.312 nan 8.150 nan 0.000 0.443 610 T N -0.921 113.323 114.554 -0.518 0.000 2.777 610 T HA -0.114 4.236 4.350 -0.000 0.000 0.266 610 T C 2.038 176.576 174.700 -0.270 0.000 1.040 610 T CA 1.298 63.276 62.100 -0.203 0.000 1.141 610 T CB -0.227 68.667 68.868 0.044 0.000 0.868 610 T HN 0.539 nan 8.240 nan 0.000 0.444 611 R N 0.891 121.226 120.500 -0.274 0.000 2.105 611 R HA -0.125 4.215 4.340 -0.000 0.000 0.239 611 R C 2.479 178.632 176.300 -0.244 0.000 1.135 611 R CA 1.442 57.407 56.100 -0.224 0.000 0.967 611 R CB -0.122 30.076 30.300 -0.171 0.000 0.861 611 R HN 0.501 nan 8.270 nan 0.000 0.442 612 Q N -0.759 118.824 119.800 -0.362 0.000 2.046 612 Q HA -0.148 4.192 4.340 -0.000 0.000 0.200 612 Q C 1.970 177.814 176.000 -0.259 0.000 0.975 612 Q CA 1.461 57.058 55.803 -0.343 0.000 0.836 612 Q CB -0.101 28.360 28.738 -0.462 0.000 0.896 612 Q HN 0.305 nan 8.270 nan 0.000 0.428 613 F N 0.896 120.694 119.950 -0.253 0.000 2.161 613 F HA -0.195 4.332 4.527 -0.000 0.000 0.300 613 F C 2.754 178.407 175.800 -0.245 0.000 1.089 613 F CA 1.370 59.218 58.000 -0.254 0.000 1.282 613 F CB -1.188 37.689 39.000 -0.205 0.000 1.010 613 F HN 0.092 nan 8.300 nan 0.000 0.485 614 S N -0.246 115.428 115.700 -0.043 0.000 2.447 614 S HA -0.152 4.318 4.470 -0.000 0.000 0.233 614 S C 1.660 176.186 174.600 -0.124 0.000 1.006 614 S CA 0.871 59.011 58.200 -0.100 0.000 0.957 614 S CB -0.515 62.602 63.200 -0.139 0.000 0.773 614 S HN 0.436 nan 8.310 nan 0.000 0.507 615 K N 0.131 120.452 120.400 -0.132 0.000 2.404 615 K HA 0.312 4.632 4.320 -0.000 0.000 0.194 615 K C 0.268 176.777 176.600 -0.153 0.000 1.023 615 K CA -0.075 56.137 56.287 -0.126 0.000 1.094 615 K CB -0.005 32.428 32.500 -0.111 0.000 0.841 615 K HN 0.463 nan 8.250 nan 0.000 0.523 616 M N -0.245 119.223 119.600 -0.220 0.000 2.240 616 M HA 0.029 4.509 4.480 -0.000 0.000 0.333 616 M C 1.638 177.713 176.300 -0.375 0.000 1.110 616 M CA 0.054 55.139 55.300 -0.358 0.000 1.173 616 M CB 0.873 33.089 32.600 -0.639 0.000 1.458 616 M HN 0.182 nan 8.290 nan 0.000 0.458 617 G N 1.734 110.352 108.800 -0.303 0.000 2.422 617 G HA2 -0.196 3.764 3.960 -0.000 0.000 0.218 617 G HA3 -0.196 3.764 3.960 -0.000 0.000 0.218 617 G C 0.779 175.645 174.900 -0.056 0.000 1.146 617 G CA 0.702 45.727 45.100 -0.124 0.000 0.769 617 G HN 0.791 nan 8.290 nan 0.000 0.547 618 F N 0.107 120.120 119.950 0.106 0.000 2.692 618 F HA 0.629 5.156 4.527 -0.000 0.000 0.303 618 F C -0.184 175.742 175.800 0.210 0.000 1.114 618 F CA -1.421 56.681 58.000 0.171 0.000 1.361 618 F CB -0.322 38.836 39.000 0.262 0.000 1.063 618 F HN -0.177 nan 8.300 nan 0.000 0.550 619 V N 1.293 121.194 119.914 -0.022 0.000 2.495 619 V HA 0.214 4.333 4.120 -0.000 0.000 0.298 619 V C -0.776 175.306 176.094 -0.020 0.000 1.031 619 V CA -0.854 61.459 62.300 0.022 0.000 0.871 619 V CB 1.716 33.481 31.823 -0.098 0.000 0.988 619 V HN 0.062 nan 8.190 nan 0.000 0.432 620 D N 3.624 124.013 120.400 -0.018 0.000 2.422 620 D HA 0.079 4.719 4.640 -0.000 0.000 0.227 620 D C 1.186 177.440 176.300 -0.078 0.000 1.190 620 D CA -0.347 53.617 54.000 -0.061 0.000 0.905 620 D CB 0.922 41.667 40.800 -0.092 0.000 1.034 620 D HN 0.712 nan 8.370 nan 0.000 0.507 621 D N 2.909 123.265 120.400 -0.074 0.000 2.311 621 D HA -0.204 4.436 4.640 -0.000 0.000 0.212 621 D C 0.723 176.983 176.300 -0.065 0.000 0.972 621 D CA 0.648 54.599 54.000 -0.081 0.000 0.887 621 D CB 0.176 40.926 40.800 -0.083 0.000 0.915 621 D HN 0.421 nan 8.370 nan 0.000 0.497 622 K N -0.117 120.253 120.400 -0.050 0.000 2.426 622 K HA 0.134 4.454 4.320 -0.000 0.000 0.193 622 K C 0.595 177.198 176.600 0.006 0.000 1.028 622 K CA 0.083 56.358 56.287 -0.022 0.000 1.047 622 K CB 0.529 33.018 32.500 -0.019 0.000 0.821 622 K HN -0.007 nan 8.250 nan 0.000 0.513 623 R N 1.299 121.780 120.500 -0.032 0.000 2.629 623 R HA 0.358 4.698 4.340 -0.000 0.000 0.277 623 R C -1.022 175.265 176.300 -0.021 0.000 1.637 623 R CA -0.125 55.964 56.100 -0.017 0.000 1.663 623 R CB 0.694 30.841 30.300 -0.255 0.000 1.228 623 R HN -0.008 nan 8.270 nan 0.000 0.632 624 I N 1.137 121.808 120.570 0.169 0.000 2.465 624 I HA 0.604 4.773 4.170 -0.000 0.000 0.291 624 I C -0.082 176.313 176.117 0.464 0.000 1.014 624 I CA -0.852 60.577 61.300 0.214 0.000 1.093 624 I CB 2.003 39.967 38.000 -0.061 0.000 1.267 624 I HN 0.349 nan 8.210 nan 0.000 0.431 625 A N 6.922 130.116 122.820 0.624 0.000 2.387 625 A HA 0.929 5.249 4.320 -0.000 0.000 0.303 625 A C -1.192 176.760 177.584 0.612 0.000 1.145 625 A CA -0.649 51.730 52.037 0.571 0.000 0.801 625 A CB 2.219 21.410 19.000 0.317 0.000 1.342 625 A HN 0.737 nan 8.150 nan 0.000 0.440 626 I N 0.550 121.412 120.570 0.488 0.000 2.752 626 I HA 0.700 4.870 4.170 -0.000 0.000 0.295 626 I C -1.891 174.495 176.117 0.447 0.000 1.219 626 I CA -0.559 60.977 61.300 0.393 0.000 1.030 626 I CB 1.613 39.633 38.000 0.032 0.000 1.259 626 I HN 0.934 nan 8.210 nan 0.000 0.423 627 W N 7.233 128.681 121.300 0.248 0.000 3.118 627 W HA 0.861 5.521 4.660 -0.000 0.000 0.328 627 W C -1.446 175.229 176.519 0.261 0.000 1.239 627 W CA -0.927 56.568 57.345 0.251 0.000 1.176 627 W CB 1.201 30.860 29.460 0.333 0.000 1.433 627 W HN 0.841 nan 8.180 nan 0.000 0.562 628 G N 0.836 109.560 108.800 -0.128 0.000 2.547 628 G HA2 0.427 4.387 3.960 -0.000 0.000 0.291 628 G HA3 0.427 4.387 3.960 -0.000 0.000 0.291 628 G C -2.789 172.020 174.900 -0.151 0.000 1.471 628 G CA -0.774 44.046 45.100 -0.466 0.000 0.798 628 G HN 0.594 nan 8.290 nan 0.000 0.504 629 W N 1.162 122.260 121.300 -0.337 0.000 2.666 629 W HA 0.553 5.213 4.660 -0.001 0.000 0.334 629 W C 0.883 177.348 176.519 -0.090 0.000 1.051 629 W CA 0.529 57.769 57.345 -0.174 0.000 1.224 629 W CB 1.577 30.921 29.460 -0.193 0.000 1.405 629 W HN 1.166 nan 8.180 nan 0.000 0.513 630 S N 2.090 117.976 115.700 0.309 0.000 4.140 630 S HA -0.438 4.032 4.470 -0.000 0.000 0.618 630 S C 0.828 175.550 174.600 0.203 0.000 1.896 630 S CA 1.591 59.965 58.200 0.289 0.000 4.240 630 S CB -1.524 61.912 63.200 0.392 0.000 0.208 630 S HN 0.735 nan 8.310 nan 0.000 0.487 631 Y N 3.302 123.705 120.300 0.173 0.000 2.207 631 Y HA 0.006 4.555 4.550 -0.000 0.000 0.287 631 Y C 2.528 178.620 175.900 0.321 0.000 1.156 631 Y CA 2.207 60.482 58.100 0.292 0.000 1.182 631 Y CB -1.039 37.684 38.460 0.439 0.000 0.979 631 Y HN 0.573 nan 8.280 nan 0.000 0.521 632 G N -0.968 108.106 108.800 0.457 0.000 2.432 632 G HA2 -0.239 3.721 3.960 -0.000 0.000 0.219 632 G HA3 -0.239 3.721 3.960 -0.000 0.000 0.219 632 G C 1.901 176.894 174.900 0.155 0.000 1.135 632 G CA 0.784 46.060 45.100 0.293 0.000 0.767 632 G HN 0.584 nan 8.290 nan 0.000 0.550 633 G N -0.174 108.703 108.800 0.128 0.000 2.402 633 G HA2 -0.222 3.738 3.960 -0.000 0.000 0.216 633 G HA3 -0.222 3.738 3.960 -0.000 0.000 0.216 633 G C 1.606 176.561 174.900 0.091 0.000 1.162 633 G CA 1.041 46.190 45.100 0.080 0.000 0.777 633 G HN 0.408 nan 8.290 nan 0.000 0.539 634 Y N 1.403 121.650 120.300 -0.089 0.000 2.145 634 Y HA -0.130 4.420 4.550 -0.000 0.000 0.286 634 Y C 2.745 178.592 175.900 -0.088 0.000 1.145 634 Y CA 1.585 59.578 58.100 -0.179 0.000 1.148 634 Y CB -0.462 37.741 38.460 -0.428 0.000 0.981 634 Y HN 0.035 nan 8.280 nan 0.000 0.507 635 V N -0.437 119.406 119.914 -0.119 0.000 2.358 635 V HA -0.300 3.820 4.120 -0.000 0.000 0.246 635 V C 2.327 178.344 176.094 -0.127 0.000 1.047 635 V CA 2.372 64.590 62.300 -0.137 0.000 1.035 635 V CB -1.161 30.750 31.823 0.146 0.000 0.658 635 V HN 0.469 nan 8.190 nan 0.000 0.452 636 T N 0.086 114.620 114.554 -0.033 0.000 2.665 636 T HA -0.218 4.132 4.350 -0.000 0.000 0.268 636 T C 2.120 176.776 174.700 -0.072 0.000 1.035 636 T CA 2.130 64.210 62.100 -0.032 0.000 1.151 636 T CB -0.282 68.646 68.868 0.100 0.000 0.862 636 T HN 0.532 nan 8.240 nan 0.000 0.438 637 S N 0.904 116.593 115.700 -0.019 0.000 2.368 637 S HA -0.002 4.467 4.470 -0.000 0.000 0.224 637 S C 2.124 176.657 174.600 -0.113 0.000 1.029 637 S CA 0.860 59.068 58.200 0.014 0.000 0.988 637 S CB -0.262 62.999 63.200 0.102 0.000 0.838 637 S HN 0.292 nan 8.310 nan 0.000 0.462 638 M N 1.119 120.563 119.600 -0.261 0.000 2.117 638 M HA -0.029 4.451 4.480 -0.000 0.000 0.262 638 M C 2.230 178.384 176.300 -0.244 0.000 1.065 638 M CA 1.080 56.209 55.300 -0.284 0.000 1.114 638 M CB -1.548 30.784 32.600 -0.447 0.000 1.361 638 M HN 0.167 nan 8.290 nan 0.000 0.408 639 V N 0.655 120.412 119.914 -0.261 0.000 2.261 639 V HA -0.267 3.853 4.120 -0.000 0.000 0.246 639 V C 2.569 178.455 176.094 -0.347 0.000 1.047 639 V CA 1.537 63.665 62.300 -0.287 0.000 1.015 639 V CB -0.742 30.820 31.823 -0.435 0.000 0.642 639 V HN 0.402 nan 8.190 nan 0.000 0.446 640 L N 0.442 121.402 121.223 -0.438 0.000 2.079 640 L HA -0.114 4.226 4.340 -0.000 0.000 0.210 640 L C 2.299 178.688 176.870 -0.801 0.000 1.081 640 L CA 1.695 56.202 54.840 -0.556 0.000 0.752 640 L CB -0.859 40.826 42.059 -0.624 0.000 0.896 640 L HN 0.509 nan 8.230 nan 0.000 0.433 641 G N -1.372 106.925 108.800 -0.839 0.000 3.088 641 G HA2 0.164 4.124 3.960 -0.000 0.000 0.212 641 G HA3 0.164 4.124 3.960 -0.000 0.000 0.212 641 G C 1.468 176.199 174.900 -0.281 0.000 1.173 641 G CA 0.502 45.191 45.100 -0.685 0.000 0.779 641 G HN 0.401 nan 8.290 nan 0.000 0.540 642 A N -0.040 122.643 122.820 -0.227 0.000 2.119 642 A HA 0.434 4.754 4.320 -0.000 0.000 0.216 642 A C 2.112 179.654 177.584 -0.071 0.000 1.152 642 A CA 1.280 53.252 52.037 -0.108 0.000 0.708 642 A CB -0.382 18.578 19.000 -0.068 0.000 0.805 642 A HN 1.446 nan 8.150 nan 0.000 0.460 643 G N -0.118 108.627 108.800 -0.091 0.000 2.198 643 G HA2 -0.293 3.667 3.960 -0.000 0.000 0.260 643 G HA3 -0.293 3.667 3.960 -0.000 0.000 0.260 643 G C 0.980 175.874 174.900 -0.010 0.000 1.025 643 G CA 1.261 46.331 45.100 -0.049 0.000 0.769 643 G HN 1.449 nan 8.290 nan 0.000 0.507 644 S N -0.937 114.774 115.700 0.019 0.000 2.489 644 S HA 0.335 4.805 4.470 -0.000 0.000 0.228 644 S C 2.439 177.058 174.600 0.031 0.000 0.995 644 S CA 1.411 59.637 58.200 0.042 0.000 0.934 644 S CB -0.079 63.181 63.200 0.101 0.000 0.771 644 S HN 2.359 nan 8.310 nan 0.000 0.522 645 G N 0.278 109.101 108.800 0.038 0.000 2.175 645 G HA2 -0.294 3.666 3.960 -0.000 0.000 0.265 645 G HA3 -0.294 3.666 3.960 -0.000 0.000 0.265 645 G C 0.729 175.627 174.900 -0.002 0.000 0.979 645 G CA 0.490 45.602 45.100 0.020 0.000 0.663 645 G HN 0.662 nan 8.290 nan 0.000 0.533 646 V N -0.725 119.182 119.914 -0.011 0.000 2.535 646 V HA 0.295 4.415 4.120 -0.000 0.000 0.246 646 V C 1.196 177.092 176.094 -0.330 0.000 1.045 646 V CA 1.333 63.506 62.300 -0.212 0.000 1.058 646 V CB -0.288 31.311 31.823 -0.375 0.000 0.689 646 V HN 0.288 nan 8.190 nan 0.000 0.461 647 F N 0.095 120.066 119.950 0.035 0.000 2.421 647 F HA 0.397 4.924 4.527 -0.000 0.000 0.337 647 F C 1.115 176.961 175.800 0.076 0.000 1.105 647 F CA -0.451 57.594 58.000 0.076 0.000 1.049 647 F CB 1.380 40.424 39.000 0.075 0.000 1.139 647 F HN -0.235 nan 8.300 nan 0.000 0.479 648 K N 1.571 122.132 120.400 0.269 0.000 2.128 648 K HA 0.122 4.442 4.320 -0.000 0.000 0.202 648 K C -0.117 176.610 176.600 0.212 0.000 1.050 648 K CA 0.890 57.296 56.287 0.199 0.000 0.966 648 K CB 0.281 32.897 32.500 0.193 0.000 0.759 648 K HN 0.800 nan 8.250 nan 0.000 0.454 649 c N -2.485 116.277 118.600 0.270 0.000 3.318 649 c HA 0.911 5.481 4.570 -0.000 0.000 0.322 649 c C -0.168 174.150 174.090 0.381 0.000 1.398 649 c CA -0.668 55.840 56.329 0.298 0.000 1.339 649 c CB 1.089 43.693 42.510 0.157 0.000 1.668 649 c HN 0.370 nan 8.230 nan 0.000 0.462 650 G N -0.085 109.012 108.800 0.495 0.000 2.646 650 G HA2 0.733 4.693 3.960 -0.000 0.000 0.291 650 G HA3 0.733 4.693 3.960 -0.000 0.000 0.291 650 G C -2.007 173.161 174.900 0.447 0.000 1.445 650 G CA -0.698 44.673 45.100 0.452 0.000 0.814 650 G HN 0.980 nan 8.290 nan 0.000 0.495 651 I N 0.612 121.399 120.570 0.361 0.000 2.499 651 I HA 0.626 4.795 4.170 -0.000 0.000 0.288 651 I C 0.081 176.333 176.117 0.225 0.000 1.048 651 I CA -0.962 60.424 61.300 0.143 0.000 1.062 651 I CB 2.307 40.368 38.000 0.101 0.000 1.238 651 I HN 0.667 nan 8.210 nan 0.000 0.426 652 A N 6.298 129.149 122.820 0.051 0.000 2.318 652 A HA 0.810 5.129 4.320 -0.000 0.000 0.317 652 A C -0.860 176.643 177.584 -0.135 0.000 1.159 652 A CA -0.528 51.543 52.037 0.057 0.000 0.799 652 A CB 1.296 20.391 19.000 0.158 0.000 1.194 652 A HN 0.431 nan 8.150 nan 0.000 0.479 653 V N 2.009 121.789 119.914 -0.223 0.000 2.417 653 V HA 0.582 4.702 4.120 -0.000 0.000 0.291 653 V C 0.930 176.621 176.094 -0.672 0.000 1.024 653 V CA 0.331 62.278 62.300 -0.588 0.000 0.861 653 V CB 0.988 32.166 31.823 -1.074 0.000 0.985 653 V HN 2.136 nan 8.190 nan 0.000 0.436 654 A N 5.579 127.970 122.820 -0.715 0.000 2.415 654 A HA -0.104 4.215 4.320 -0.000 0.000 0.292 654 A C -1.770 175.629 177.584 -0.309 0.000 1.452 654 A CA 0.443 51.961 52.037 -0.865 0.000 0.750 654 A CB -1.543 17.108 19.000 -0.583 0.000 1.099 654 A HN 0.610 nan 8.150 nan 0.000 0.391 655 P HA 0.428 nan 4.420 nan 0.000 0.281 655 P C 0.153 177.417 177.300 -0.060 0.000 1.249 655 P CA -0.244 62.827 63.100 -0.049 0.000 0.810 655 P CB 1.438 33.139 31.700 0.003 0.000 1.008 656 V N 2.289 122.083 119.914 -0.201 0.000 2.732 656 V HA 0.106 4.226 4.120 -0.000 0.000 0.297 656 V C 1.631 177.544 176.094 -0.302 0.000 1.060 656 V CA 0.899 62.934 62.300 -0.441 0.000 1.038 656 V CB 0.941 32.113 31.823 -1.085 0.000 1.003 656 V HN 0.849 nan 8.190 nan 0.000 0.481 657 S N 2.530 118.078 115.700 -0.252 0.000 2.628 657 S HA 0.323 4.793 4.470 -0.000 0.000 0.246 657 S C 0.202 174.674 174.600 -0.214 0.000 1.062 657 S CA -0.292 57.842 58.200 -0.110 0.000 1.028 657 S CB 0.266 63.456 63.200 -0.017 0.000 0.985 657 S HN 0.653 nan 8.310 nan 0.000 0.551 658 K N -0.303 119.847 120.400 -0.417 0.000 2.589 658 K HA 0.298 4.618 4.320 -0.000 0.000 0.253 658 K C -1.080 175.214 176.600 -0.510 0.000 0.974 658 K CA -0.653 55.340 56.287 -0.491 0.000 0.835 658 K CB 0.660 32.734 32.500 -0.710 0.000 1.272 658 K HN 0.141 nan 8.250 nan 0.000 0.444 659 W N 2.099 123.341 121.300 -0.096 0.000 2.392 659 W HA -0.112 4.548 4.660 -0.001 0.000 0.279 659 W C 1.207 177.861 176.519 0.225 0.000 1.225 659 W CA 0.701 58.071 57.345 0.042 0.000 1.233 659 W CB 0.293 29.704 29.460 -0.083 0.000 1.122 659 W HN 0.749 nan 8.180 nan 0.000 0.561 660 E N -1.120 119.245 120.200 0.275 0.000 2.338 660 E HA -0.182 4.168 4.350 -0.000 0.000 0.197 660 E C 1.280 178.001 176.600 0.203 0.000 1.007 660 E CA 0.936 57.441 56.400 0.175 0.000 0.849 660 E CB -0.385 29.306 29.700 -0.016 0.000 0.774 660 E HN 0.357 nan 8.360 nan 0.000 0.506 661 Y N -1.452 118.936 120.300 0.147 0.000 2.523 661 Y HA 0.093 4.643 4.550 -0.000 0.000 0.279 661 Y C 0.600 176.593 175.900 0.155 0.000 1.139 661 Y CA -0.419 57.734 58.100 0.090 0.000 1.296 661 Y CB -0.398 38.057 38.460 -0.008 0.000 1.045 661 Y HN 0.023 nan 8.280 nan 0.000 0.538 662 Y N 1.835 122.276 120.300 0.236 0.000 2.392 662 Y HA 0.278 4.828 4.550 -0.000 0.000 0.323 662 Y C 0.329 176.434 175.900 0.343 0.000 1.291 662 Y CA -2.165 56.082 58.100 0.245 0.000 1.345 662 Y CB 0.331 38.969 38.460 0.295 0.000 1.320 662 Y HN 0.184 nan 8.280 nan 0.000 0.518 663 D N -0.591 119.530 120.400 -0.465 0.000 2.382 663 D HA 0.075 4.715 4.640 -0.000 0.000 0.240 663 D C 0.942 177.216 176.300 -0.044 0.000 1.146 663 D CA 0.410 54.200 54.000 -0.349 0.000 0.897 663 D CB 0.854 41.203 40.800 -0.751 0.000 1.197 663 D HN 0.475 nan 8.370 nan 0.000 0.432 664 S N 1.268 116.956 115.700 -0.021 0.000 2.359 664 S HA -0.226 4.244 4.470 -0.000 0.000 0.224 664 S C 1.907 176.540 174.600 0.055 0.000 1.035 664 S CA 1.179 59.421 58.200 0.069 0.000 1.018 664 S CB -0.996 62.248 63.200 0.074 0.000 0.876 664 S HN 0.436 nan 8.310 nan 0.000 0.448 665 V N 0.965 120.850 119.914 -0.048 0.000 2.233 665 V HA -0.197 3.923 4.120 -0.000 0.000 0.247 665 V C 2.324 178.357 176.094 -0.101 0.000 1.050 665 V CA 2.325 64.522 62.300 -0.171 0.000 1.010 665 V CB -1.141 30.413 31.823 -0.448 0.000 0.637 665 V HN 0.597 nan 8.190 nan 0.000 0.444 666 Y N 1.310 121.558 120.300 -0.087 0.000 2.133 666 Y HA -0.227 4.322 4.550 -0.000 0.000 0.287 666 Y C 2.720 178.646 175.900 0.043 0.000 1.134 666 Y CA 2.303 60.431 58.100 0.048 0.000 1.133 666 Y CB -0.667 38.013 38.460 0.366 0.000 0.987 666 Y HN 0.238 nan 8.280 nan 0.000 0.502 667 T N 0.361 115.177 114.554 0.436 0.000 2.674 667 T HA -0.209 4.141 4.350 -0.000 0.000 0.265 667 T C 1.594 176.298 174.700 0.007 0.000 1.039 667 T CA 1.957 64.243 62.100 0.310 0.000 1.150 667 T CB -0.339 68.844 68.868 0.526 0.000 0.864 667 T HN 0.437 nan 8.240 nan 0.000 0.427 668 E N 0.518 120.741 120.200 0.037 0.000 2.204 668 E HA -0.115 4.235 4.350 -0.000 0.000 0.195 668 E C 2.340 178.829 176.600 -0.186 0.000 0.990 668 E CA 0.553 56.953 56.400 -0.001 0.000 0.821 668 E CB -0.128 29.611 29.700 0.064 0.000 0.750 668 E HN 0.311 nan 8.360 nan 0.000 0.477 669 R N 0.001 120.244 120.500 -0.429 0.000 2.105 669 R HA -0.196 4.143 4.340 -0.000 0.000 0.239 669 R C 1.211 176.998 176.300 -0.855 0.000 1.135 669 R CA 1.613 57.273 56.100 -0.734 0.000 0.967 669 R CB -0.011 29.520 30.300 -1.283 0.000 0.861 669 R HN 0.237 nan 8.270 nan 0.000 0.442 670 Y N -2.538 117.466 120.300 -0.493 0.000 2.498 670 Y HA 0.246 4.796 4.550 -0.000 0.000 0.259 670 Y C 1.530 177.222 175.900 -0.347 0.000 1.086 670 Y CA -0.006 57.780 58.100 -0.523 0.000 1.287 670 Y CB 0.515 38.519 38.460 -0.761 0.000 1.146 670 Y HN -0.032 nan 8.280 nan 0.000 0.523 671 M N -0.501 118.982 119.600 -0.194 0.000 2.306 671 M HA 0.379 4.858 4.480 -0.000 0.000 0.292 671 M C 1.053 177.360 176.300 0.011 0.000 1.018 671 M CA 0.696 55.874 55.300 -0.204 0.000 1.007 671 M CB -0.122 32.153 32.600 -0.542 0.000 1.510 671 M HN 0.328 nan 8.290 nan 0.000 0.537 672 G N 1.924 110.747 108.800 0.038 0.000 2.601 672 G HA2 -0.218 3.742 3.960 -0.000 0.000 0.252 672 G HA3 -0.218 3.742 3.960 -0.000 0.000 0.252 672 G C -0.741 174.289 174.900 0.217 0.000 1.294 672 G CA -0.753 44.407 45.100 0.100 0.000 0.912 672 G HN 0.243 nan 8.290 nan 0.000 0.574 673 L N 2.709 124.025 121.223 0.155 0.000 2.307 673 L HA 0.516 4.856 4.340 -0.000 0.000 0.282 673 L C -1.245 175.617 176.870 -0.015 0.000 1.051 673 L CA -2.014 52.872 54.840 0.076 0.000 0.804 673 L CB 1.225 43.295 42.059 0.019 0.000 1.197 673 L HN 0.434 nan 8.230 nan 0.000 0.431 674 P HA 0.077 nan 4.420 nan 0.000 0.228 674 P C -0.645 176.500 177.300 -0.259 0.000 1.748 674 P CA -0.136 62.543 63.100 -0.701 0.000 0.909 674 P CB -0.509 30.463 31.700 -1.214 0.000 1.882 675 T N -2.992 111.501 114.554 -0.101 0.000 2.885 675 T HA 0.422 4.771 4.350 -0.000 0.000 0.285 675 T C -1.867 172.834 174.700 0.001 0.000 1.019 675 T CA -2.445 59.628 62.100 -0.044 0.000 1.010 675 T CB 1.987 70.838 68.868 -0.027 0.000 1.022 675 T HN -0.195 nan 8.240 nan 0.000 0.466 676 P HA -0.171 nan 4.420 nan 0.000 0.218 676 P C 1.201 178.520 177.300 0.032 0.000 1.148 676 P CA 1.221 64.337 63.100 0.027 0.000 0.822 676 P CB 0.182 31.893 31.700 0.018 0.000 0.784 677 E N -0.692 119.520 120.200 0.021 0.000 2.347 677 E HA -0.109 4.240 4.350 -0.000 0.000 0.196 677 E C 1.124 177.741 176.600 0.028 0.000 1.008 677 E CA 0.781 57.194 56.400 0.021 0.000 0.852 677 E CB -0.410 29.296 29.700 0.010 0.000 0.783 677 E HN 0.255 nan 8.360 nan 0.000 0.505 678 D N 1.162 121.585 120.400 0.037 0.000 2.970 678 D HA 0.055 4.694 4.640 -0.000 0.000 0.236 678 D C 0.531 176.882 176.300 0.085 0.000 1.415 678 D CA 0.041 54.071 54.000 0.050 0.000 1.279 678 D CB -0.192 40.636 40.800 0.047 0.000 0.932 678 D HN 0.082 nan 8.370 nan 0.000 0.216 679 N N -0.138 118.645 118.700 0.139 0.000 2.241 679 N HA 0.041 4.781 4.740 -0.000 0.000 0.238 679 N C 1.365 177.086 175.510 0.351 0.000 1.244 679 N CA -0.118 53.068 53.050 0.227 0.000 0.880 679 N CB 0.794 39.422 38.487 0.234 0.000 1.179 679 N HN 0.003 nan 8.380 nan 0.000 0.513 680 L N 1.467 122.817 121.223 0.212 0.000 2.051 680 L HA -0.227 4.112 4.340 -0.000 0.000 0.214 680 L C 1.335 178.345 176.870 0.233 0.000 1.076 680 L CA 2.022 56.964 54.840 0.170 0.000 0.758 680 L CB -0.480 41.606 42.059 0.046 0.000 0.890 680 L HN 0.180 nan 8.230 nan 0.000 0.433 681 D N -1.458 119.067 120.400 0.207 0.000 2.149 681 D HA -0.232 4.408 4.640 -0.000 0.000 0.198 681 D C 1.991 178.353 176.300 0.103 0.000 0.990 681 D CA 1.598 55.685 54.000 0.145 0.000 0.839 681 D CB -0.251 40.627 40.800 0.131 0.000 0.948 681 D HN 0.473 nan 8.370 nan 0.000 0.460 682 Y N -0.889 119.481 120.300 0.117 0.000 2.519 682 Y HA -0.027 4.523 4.550 -0.000 0.000 0.287 682 Y C 1.876 177.833 175.900 0.095 0.000 1.128 682 Y CA 0.234 58.377 58.100 0.070 0.000 1.282 682 Y CB -0.254 38.209 38.460 0.005 0.000 1.027 682 Y HN 0.030 nan 8.280 nan 0.000 0.551 683 Y N -0.518 119.888 120.300 0.177 0.000 2.243 683 Y HA -0.149 4.401 4.550 -0.000 0.000 0.293 683 Y C 2.355 178.315 175.900 0.101 0.000 1.124 683 Y CA 0.956 59.155 58.100 0.163 0.000 1.159 683 Y CB 0.061 38.596 38.460 0.125 0.000 1.008 683 Y HN -0.172 nan 8.280 nan 0.000 0.527 684 R N 0.611 121.249 120.500 0.230 0.000 2.096 684 R HA -0.127 4.213 4.340 -0.000 0.000 0.235 684 R C 1.145 177.476 176.300 0.051 0.000 1.127 684 R CA 1.533 57.695 56.100 0.105 0.000 0.968 684 R CB -1.003 29.334 30.300 0.062 0.000 0.861 684 R HN 0.498 nan 8.270 nan 0.000 0.440 685 N N -0.203 118.506 118.700 0.015 0.000 2.238 685 N HA -0.028 4.711 4.740 -0.000 0.000 0.222 685 N C 0.024 175.543 175.510 0.015 0.000 1.133 685 N CA 0.223 53.259 53.050 -0.022 0.000 0.854 685 N CB 0.413 38.838 38.487 -0.104 0.000 1.041 685 N HN 0.012 nan 8.380 nan 0.000 0.510 686 S N -1.452 114.305 115.700 0.096 0.000 2.593 686 S HA 0.088 4.558 4.470 -0.000 0.000 0.236 686 S C 0.555 175.295 174.600 0.233 0.000 0.991 686 S CA -0.406 57.910 58.200 0.194 0.000 0.963 686 S CB -0.648 62.737 63.200 0.308 0.000 0.865 686 S HN 0.338 nan 8.310 nan 0.000 0.488 687 T N -0.821 113.801 114.554 0.114 0.000 2.904 687 T HA 0.473 4.823 4.350 -0.000 0.000 0.290 687 T C 1.340 176.074 174.700 0.057 0.000 1.018 687 T CA -0.532 61.603 62.100 0.059 0.000 1.075 687 T CB 1.260 70.118 68.868 -0.015 0.000 0.986 687 T HN -0.037 nan 8.240 nan 0.000 0.523 688 V N 1.870 121.808 119.914 0.041 0.000 2.548 688 V HA -0.108 4.012 4.120 -0.000 0.000 0.249 688 V C 2.574 178.655 176.094 -0.022 0.000 1.055 688 V CA 1.410 63.713 62.300 0.005 0.000 1.065 688 V CB -0.993 30.819 31.823 -0.019 0.000 0.681 688 V HN 0.810 nan 8.190 nan 0.000 0.462 689 M N 1.272 120.843 119.600 -0.049 0.000 2.202 689 M HA -0.151 4.329 4.480 -0.000 0.000 0.262 689 M C 2.322 178.605 176.300 -0.028 0.000 1.063 689 M CA 2.005 57.265 55.300 -0.066 0.000 1.097 689 M CB -0.974 31.595 32.600 -0.051 0.000 1.382 689 M HN 0.527 nan 8.290 nan 0.000 0.413 690 S N -0.217 115.480 115.700 -0.006 0.000 2.507 690 S HA -0.079 4.391 4.470 -0.000 0.000 0.235 690 S C 1.739 176.350 174.600 0.018 0.000 0.988 690 S CA 0.723 58.926 58.200 0.004 0.000 0.944 690 S CB -0.395 62.808 63.200 0.005 0.000 0.762 690 S HN 0.552 nan 8.310 nan 0.000 0.526 691 R N 0.180 120.706 120.500 0.043 0.000 2.468 691 R HA 0.465 4.805 4.340 -0.000 0.000 0.280 691 R C 2.077 178.490 176.300 0.189 0.000 0.963 691 R CA 0.407 56.557 56.100 0.084 0.000 1.083 691 R CB -0.091 30.251 30.300 0.070 0.000 1.200 691 R HN 0.451 nan 8.270 nan 0.000 0.541 692 A N 1.697 124.583 122.820 0.109 0.000 1.903 692 A HA -0.271 4.049 4.320 -0.000 0.000 0.219 692 A C 1.770 179.455 177.584 0.168 0.000 1.191 692 A CA 1.737 53.818 52.037 0.073 0.000 0.638 692 A CB -0.236 18.723 19.000 -0.068 0.000 0.823 692 A HN 0.188 nan 8.150 nan 0.000 0.451 693 E N 0.156 120.415 120.200 0.099 0.000 2.147 693 E HA -0.191 4.159 4.350 -0.000 0.000 0.199 693 E C 1.690 178.349 176.600 0.099 0.000 1.005 693 E CA 1.582 58.033 56.400 0.085 0.000 0.810 693 E CB -0.476 29.254 29.700 0.050 0.000 0.736 693 E HN 0.798 nan 8.360 nan 0.000 0.460 694 N N -0.947 117.806 118.700 0.088 0.000 2.520 694 N HA -0.088 4.651 4.740 -0.000 0.000 0.185 694 N C 0.770 176.246 175.510 -0.056 0.000 1.068 694 N CA 0.062 53.109 53.050 -0.006 0.000 0.911 694 N CB -0.075 38.355 38.487 -0.096 0.000 0.961 694 N HN 0.121 nan 8.380 nan 0.000 0.446 695 F N 1.557 121.466 119.950 -0.068 0.000 2.604 695 F HA 0.025 4.552 4.527 -0.000 0.000 0.298 695 F C 1.983 177.794 175.800 0.019 0.000 1.131 695 F CA 0.667 58.624 58.000 -0.071 0.000 1.457 695 F CB 0.024 38.932 39.000 -0.154 0.000 1.095 695 F HN -0.111 nan 8.300 nan 0.000 0.574 696 K N 0.084 120.588 120.400 0.174 0.000 2.211 696 K HA -0.223 4.097 4.320 -0.000 0.000 0.204 696 K C 1.642 178.303 176.600 0.102 0.000 1.047 696 K CA 1.419 57.788 56.287 0.137 0.000 0.935 696 K CB -0.263 32.296 32.500 0.099 0.000 0.728 696 K HN 0.420 nan 8.250 nan 0.000 0.452 697 Q N 0.320 120.155 119.800 0.059 0.000 2.451 697 Q HA 0.008 4.348 4.340 -0.000 0.000 0.206 697 Q C 0.380 176.414 176.000 0.056 0.000 0.947 697 Q CA 0.226 56.054 55.803 0.041 0.000 0.937 697 Q CB 0.377 29.119 28.738 0.006 0.000 1.025 697 Q HN 0.159 nan 8.270 nan 0.000 0.511 698 V N -3.271 116.690 119.914 0.079 0.000 3.130 698 V HA 0.457 4.576 4.120 -0.000 0.000 0.310 698 V C -1.176 175.054 176.094 0.227 0.000 1.158 698 V CA -1.365 61.008 62.300 0.122 0.000 1.029 698 V CB 2.253 34.112 31.823 0.060 0.000 1.057 698 V HN -0.045 nan 8.190 nan 0.000 0.436 699 E N 1.437 121.798 120.200 0.267 0.000 2.146 699 E HA 0.484 4.834 4.350 -0.000 0.000 0.282 699 E C -1.802 175.165 176.600 0.612 0.000 0.989 699 E CA -0.301 56.321 56.400 0.370 0.000 0.799 699 E CB 1.674 31.502 29.700 0.214 0.000 1.088 699 E HN 0.691 nan 8.360 nan 0.000 0.397 700 Y N 3.364 123.946 120.300 0.469 0.000 2.425 700 Y HA 0.445 4.995 4.550 -0.000 0.000 0.344 700 Y C -1.655 174.353 175.900 0.180 0.000 0.969 700 Y CA -1.174 57.155 58.100 0.381 0.000 1.052 700 Y CB 1.102 39.814 38.460 0.420 0.000 1.215 700 Y HN 0.442 nan 8.280 nan 0.000 0.451 701 L N 7.999 128.934 121.223 -0.479 0.000 2.343 701 L HA 0.498 4.837 4.340 -0.000 0.000 0.278 701 L C -1.786 174.601 176.870 -0.805 0.000 0.996 701 L CA -0.820 53.579 54.840 -0.735 0.000 0.831 701 L CB 1.281 42.593 42.059 -1.245 0.000 1.232 701 L HN 0.698 nan 8.230 nan 0.000 0.413 702 L N 6.638 127.476 121.223 -0.642 0.000 2.280 702 L HA 0.561 4.901 4.340 -0.000 0.000 0.287 702 L C -0.826 175.901 176.870 -0.238 0.000 1.023 702 L CA -0.466 54.075 54.840 -0.499 0.000 0.819 702 L CB 1.517 43.353 42.059 -0.371 0.000 1.212 702 L HN 0.607 nan 8.230 nan 0.000 0.420 703 I N 4.163 124.604 120.570 -0.215 0.000 2.474 703 I HA 0.479 4.649 4.170 -0.000 0.000 0.294 703 I C -0.805 175.275 176.117 -0.062 0.000 1.005 703 I CA -0.733 60.489 61.300 -0.129 0.000 1.113 703 I CB 1.926 39.814 38.000 -0.188 0.000 1.289 703 I HN 0.518 nan 8.210 nan 0.000 0.436 704 H N 3.008 122.119 119.070 0.068 0.000 3.086 704 H HA 0.359 4.914 4.556 -0.000 0.000 0.353 704 H C -0.718 174.815 175.328 0.342 0.000 1.134 704 H CA -0.584 55.561 56.048 0.162 0.000 1.248 704 H CB 2.411 32.262 29.762 0.148 0.000 1.878 704 H HN 0.756 nan 8.280 nan 0.000 0.527 705 G N 1.279 110.411 108.800 0.554 0.000 2.380 705 G HA2 0.208 4.167 3.960 -0.000 0.000 0.262 705 G HA3 0.208 4.167 3.960 -0.000 0.000 0.262 705 G C 1.150 176.279 174.900 0.381 0.000 1.243 705 G CA 0.234 45.599 45.100 0.441 0.000 0.865 705 G HN 0.666 nan 8.290 nan 0.000 0.513 706 T N -0.448 114.165 114.554 0.099 0.000 2.962 706 T HA 0.023 4.372 4.350 -0.000 0.000 0.270 706 T C 1.716 176.343 174.700 -0.123 0.000 1.088 706 T CA 1.338 63.284 62.100 -0.256 0.000 1.127 706 T CB 0.118 68.773 68.868 -0.355 0.000 0.883 706 T HN 0.699 nan 8.240 nan 0.000 0.493 707 A N 1.032 123.870 122.820 0.031 0.000 2.684 707 A HA 0.314 4.633 4.320 -0.000 0.000 0.288 707 A C 0.384 177.945 177.584 -0.038 0.000 1.337 707 A CA -0.507 51.550 52.037 0.035 0.000 0.946 707 A CB -0.286 18.999 19.000 0.476 0.000 1.093 707 A HN 0.389 nan 8.150 nan 0.000 0.543 708 D N 1.448 121.826 120.400 -0.038 0.000 2.338 708 D HA 0.014 4.654 4.640 -0.000 0.000 0.255 708 D C 0.279 176.556 176.300 -0.038 0.000 1.237 708 D CA 0.014 54.108 54.000 0.155 0.000 0.883 708 D CB 0.726 41.775 40.800 0.416 0.000 1.087 708 D HN 0.550 nan 8.370 nan 0.000 0.485 709 D N 2.327 122.768 120.400 0.069 0.000 2.349 709 D HA -0.126 4.514 4.640 -0.000 0.000 0.215 709 D C 0.880 177.156 176.300 -0.040 0.000 1.016 709 D CA -0.099 53.885 54.000 -0.027 0.000 0.870 709 D CB 0.485 41.250 40.800 -0.058 0.000 0.917 709 D HN 0.222 nan 8.370 nan 0.000 0.524 710 N N 0.868 119.633 118.700 0.107 0.000 2.426 710 N HA -0.050 4.690 4.740 -0.000 0.000 0.205 710 N C -0.069 175.368 175.510 -0.122 0.000 1.040 710 N CA 0.458 53.583 53.050 0.125 0.000 0.990 710 N CB 0.340 38.913 38.487 0.143 0.000 1.215 710 N HN -0.119 nan 8.380 nan 0.000 0.491 711 V N 3.117 122.978 119.914 -0.088 0.000 2.320 711 V HA 0.204 4.323 4.120 -0.000 0.000 0.265 711 V C -0.476 175.656 176.094 0.064 0.000 1.048 711 V CA -0.421 61.875 62.300 -0.007 0.000 0.865 711 V CB -0.502 31.362 31.823 0.069 0.000 1.043 711 V HN 0.305 nan 8.190 nan 0.000 0.474 712 H N 3.409 122.435 119.070 -0.074 0.000 2.972 712 H HA -0.041 4.515 4.556 -0.000 0.000 0.343 712 H C 0.824 175.962 175.328 -0.318 0.000 1.054 712 H CA -0.032 55.880 56.048 -0.226 0.000 1.412 712 H CB 0.710 30.257 29.762 -0.359 0.000 1.385 712 H HN 0.638 nan 8.280 nan 0.000 0.600 713 F N 2.212 121.903 119.950 -0.432 0.000 2.192 713 F HA -0.312 4.215 4.527 -0.000 0.000 0.301 713 F C 2.563 178.055 175.800 -0.514 0.000 1.079 713 F CA 1.838 59.367 58.000 -0.784 0.000 1.303 713 F CB -0.241 38.505 39.000 -0.423 0.000 1.024 713 F HN 0.673 nan 8.300 nan 0.000 0.494 714 Q N 0.189 119.804 119.800 -0.308 0.000 2.182 714 Q HA -0.340 4.000 4.340 -0.000 0.000 0.213 714 Q C 2.123 177.825 176.000 -0.497 0.000 1.000 714 Q CA 2.511 58.082 55.803 -0.387 0.000 0.889 714 Q CB -0.379 28.119 28.738 -0.399 0.000 0.932 714 Q HN 0.605 nan 8.270 nan 0.000 0.415 715 Q N -0.385 119.173 119.800 -0.404 0.000 2.061 715 Q HA -0.137 4.202 4.340 -0.000 0.000 0.204 715 Q C 2.292 178.175 176.000 -0.196 0.000 0.984 715 Q CA 1.812 57.506 55.803 -0.181 0.000 0.846 715 Q CB -0.166 28.561 28.738 -0.017 0.000 0.902 715 Q HN 0.343 nan 8.270 nan 0.000 0.421 716 S N 0.606 116.099 115.700 -0.344 0.000 2.406 716 S HA -0.020 4.450 4.470 -0.000 0.000 0.228 716 S C 2.032 176.377 174.600 -0.425 0.000 1.020 716 S CA 0.739 58.749 58.200 -0.317 0.000 0.965 716 S CB -0.103 62.935 63.200 -0.269 0.000 0.798 716 S HN 0.469 nan 8.310 nan 0.000 0.488 717 A N 1.467 123.900 122.820 -0.645 0.000 1.902 717 A HA -0.129 4.190 4.320 -0.000 0.000 0.217 717 A C 2.137 179.598 177.584 -0.206 0.000 1.181 717 A CA 1.141 52.929 52.037 -0.415 0.000 0.623 717 A CB -0.467 18.316 19.000 -0.361 0.000 0.818 717 A HN 0.357 nan 8.150 nan 0.000 0.443 718 Q N -1.036 118.647 119.800 -0.195 0.000 2.167 718 Q HA -0.108 4.232 4.340 -0.000 0.000 0.202 718 Q C 2.082 178.042 176.000 -0.068 0.000 0.970 718 Q CA 1.215 56.971 55.803 -0.078 0.000 0.855 718 Q CB -0.468 28.282 28.738 0.021 0.000 0.911 718 Q HN 0.598 nan 8.270 nan 0.000 0.438 719 L N 1.131 122.290 121.223 -0.107 0.000 2.027 719 L HA -0.140 4.199 4.340 -0.000 0.000 0.206 719 L C 2.368 179.103 176.870 -0.227 0.000 1.074 719 L CA 2.397 57.142 54.840 -0.158 0.000 0.745 719 L CB -1.096 40.870 42.059 -0.156 0.000 0.898 719 L HN 0.214 nan 8.230 nan 0.000 0.433 720 S N -0.743 114.850 115.700 -0.178 0.000 2.383 720 S HA -0.312 4.158 4.470 -0.000 0.000 0.229 720 S C 2.143 176.739 174.600 -0.007 0.000 1.030 720 S CA 1.550 59.690 58.200 -0.100 0.000 1.002 720 S CB -0.739 62.552 63.200 0.151 0.000 0.829 720 S HN 0.578 nan 8.310 nan 0.000 0.467 721 K N 1.614 122.002 120.400 -0.020 0.000 2.097 721 K HA 0.051 4.371 4.320 -0.000 0.000 0.206 721 K C 2.240 178.832 176.600 -0.014 0.000 1.049 721 K CA 1.071 57.361 56.287 0.007 0.000 0.933 721 K CB -0.623 31.873 32.500 -0.006 0.000 0.717 721 K HN 0.464 nan 8.250 nan 0.000 0.442 722 A N 1.004 123.785 122.820 -0.065 0.000 1.898 722 A HA -0.079 4.241 4.320 -0.000 0.000 0.216 722 A C 2.062 179.586 177.584 -0.101 0.000 1.181 722 A CA 1.146 53.137 52.037 -0.076 0.000 0.620 722 A CB -0.540 18.399 19.000 -0.103 0.000 0.819 722 A HN 0.305 nan 8.150 nan 0.000 0.442 723 L N -0.644 120.457 121.223 -0.203 0.000 2.093 723 L HA -0.139 4.200 4.340 -0.000 0.000 0.208 723 L C 2.495 179.390 176.870 0.041 0.000 1.085 723 L CA 0.873 55.576 54.840 -0.228 0.000 0.755 723 L CB -0.478 41.148 42.059 -0.722 0.000 0.904 723 L HN 0.237 nan 8.230 nan 0.000 0.435 724 V N -0.319 119.676 119.914 0.134 0.000 2.358 724 V HA -0.265 3.854 4.120 -0.000 0.000 0.246 724 V C 2.004 178.152 176.094 0.090 0.000 1.047 724 V CA 1.778 64.185 62.300 0.178 0.000 1.035 724 V CB -0.449 31.470 31.823 0.160 0.000 0.658 724 V HN 0.426 nan 8.190 nan 0.000 0.452 725 D N 0.497 120.927 120.400 0.050 0.000 2.218 725 D HA -0.076 4.564 4.640 -0.000 0.000 0.204 725 D C 1.900 178.220 176.300 0.033 0.000 0.976 725 D CA 1.460 55.480 54.000 0.033 0.000 0.853 725 D CB -0.089 40.721 40.800 0.016 0.000 0.939 725 D HN 0.481 nan 8.370 nan 0.000 0.481 726 A N -0.340 122.499 122.820 0.033 0.000 2.275 726 A HA 0.430 4.749 4.320 -0.000 0.000 0.212 726 A C 1.666 179.287 177.584 0.061 0.000 1.201 726 A CA 0.787 52.847 52.037 0.038 0.000 0.843 726 A CB -0.161 18.854 19.000 0.024 0.000 0.873 726 A HN 0.188 nan 8.150 nan 0.000 0.492 727 G N -0.936 107.909 108.800 0.076 0.000 2.198 727 G HA2 -0.189 3.771 3.960 -0.000 0.000 0.260 727 G HA3 -0.189 3.771 3.960 -0.000 0.000 0.260 727 G C 0.073 175.043 174.900 0.118 0.000 1.025 727 G CA 0.325 45.477 45.100 0.087 0.000 0.769 727 G HN 0.771 nan 8.290 nan 0.000 0.507 728 V N 0.536 120.544 119.914 0.157 0.000 2.407 728 V HA 0.482 4.602 4.120 -0.000 0.000 0.278 728 V C 0.365 176.670 176.094 0.351 0.000 1.037 728 V CA -0.493 61.936 62.300 0.215 0.000 0.900 728 V CB 1.746 33.679 31.823 0.184 0.000 0.983 728 V HN 0.396 nan 8.190 nan 0.000 0.459 729 D N 3.954 124.529 120.400 0.292 0.000 2.264 729 D HA 0.645 5.285 4.640 -0.000 0.000 0.249 729 D C -0.606 175.950 176.300 0.428 0.000 1.070 729 D CA 0.108 54.260 54.000 0.254 0.000 0.912 729 D CB 0.936 41.808 40.800 0.119 0.000 1.193 729 D HN 0.326 nan 8.370 nan 0.000 0.427 730 F N -0.683 119.349 119.950 0.136 0.000 2.877 730 F HA 0.473 4.999 4.527 -0.000 0.000 0.319 730 F C -1.276 174.583 175.800 0.098 0.000 1.174 730 F CA -1.086 57.022 58.000 0.180 0.000 0.903 730 F CB 0.682 39.832 39.000 0.250 0.000 1.357 730 F HN 0.209 nan 8.300 nan 0.000 0.472 731 Q N 0.146 120.010 119.800 0.108 0.000 2.348 731 Q HA 0.716 5.056 4.340 -0.000 0.000 0.271 731 Q C -1.254 174.713 176.000 -0.056 0.000 1.067 731 Q CA -1.073 54.691 55.803 -0.065 0.000 0.839 731 Q CB 2.538 31.285 28.738 0.016 0.000 1.354 731 Q HN 0.828 nan 8.270 nan 0.000 0.447 732 T N 0.802 115.290 114.554 -0.110 0.000 2.864 732 T HA 0.711 5.061 4.350 -0.000 0.000 0.299 732 T C -1.902 172.692 174.700 -0.177 0.000 1.166 732 T CA -0.578 61.474 62.100 -0.079 0.000 1.007 732 T CB 1.336 70.223 68.868 0.031 0.000 1.219 732 T HN 0.506 nan 8.240 nan 0.000 0.506 733 M N 3.798 123.274 119.600 -0.207 0.000 2.221 733 M HA 0.556 5.035 4.480 -0.000 0.000 0.259 733 M C -2.008 174.093 176.300 -0.331 0.000 1.001 733 M CA -0.671 54.355 55.300 -0.457 0.000 1.009 733 M CB 0.917 33.164 32.600 -0.588 0.000 1.939 733 M HN 0.694 nan 8.290 nan 0.000 0.477 734 W N 4.406 125.526 121.300 -0.301 0.000 2.375 734 W HA 0.738 5.398 4.660 -0.000 0.000 0.336 734 W C -1.964 174.275 176.519 -0.467 0.000 1.160 734 W CA -0.790 56.453 57.345 -0.170 0.000 1.266 734 W CB 0.234 29.634 29.460 -0.099 0.000 1.195 734 W HN 0.611 nan 8.180 nan 0.000 0.599 735 Y N 2.260 122.691 120.300 0.218 0.000 2.447 735 Y HA 0.284 4.834 4.550 -0.000 0.000 0.325 735 Y C 0.431 176.428 175.900 0.161 0.000 0.976 735 Y CA -1.259 56.893 58.100 0.086 0.000 1.280 735 Y CB 1.150 39.623 38.460 0.020 0.000 1.104 735 Y HN 0.435 nan 8.280 nan 0.000 0.486 736 T N 4.627 119.358 114.554 0.295 0.000 2.866 736 T HA -0.043 4.306 4.350 -0.000 0.000 0.293 736 T C 0.287 175.039 174.700 0.087 0.000 1.005 736 T CA 0.769 62.955 62.100 0.142 0.000 1.162 736 T CB -0.109 68.793 68.868 0.057 0.000 0.968 736 T HN 0.690 nan 8.240 nan 0.000 0.530 737 D N 0.842 121.259 120.400 0.029 0.000 3.059 737 D HA -0.130 4.510 4.640 -0.000 0.000 0.213 737 D C 0.338 176.743 176.300 0.177 0.000 1.144 737 D CA 1.190 55.153 54.000 -0.062 0.000 0.975 737 D CB -0.328 40.228 40.800 -0.406 0.000 1.125 737 D HN 0.579 nan 8.370 nan 0.000 0.412 738 E N 0.883 121.206 120.200 0.206 0.000 2.313 738 E HA 0.304 4.654 4.350 -0.000 0.000 0.272 738 E C 0.799 177.566 176.600 0.279 0.000 1.038 738 E CA -0.238 56.304 56.400 0.237 0.000 0.863 738 E CB 1.181 31.007 29.700 0.210 0.000 1.060 738 E HN 0.350 nan 8.360 nan 0.000 0.402 739 D N -0.270 120.308 120.400 0.297 0.000 2.509 739 D HA -0.011 4.629 4.640 -0.000 0.000 0.275 739 D C 1.129 177.650 176.300 0.368 0.000 1.189 739 D CA -0.132 54.070 54.000 0.337 0.000 1.098 739 D CB -0.251 40.774 40.800 0.374 0.000 1.177 739 D HN 0.396 nan 8.370 nan 0.000 0.599 740 H N -1.479 117.769 119.070 0.297 0.000 2.422 740 H HA 0.074 4.630 4.556 -0.000 0.000 0.298 740 H C 1.889 177.461 175.328 0.407 0.000 1.098 740 H CA 2.215 58.457 56.048 0.323 0.000 1.315 740 H CB -0.433 29.498 29.762 0.283 0.000 1.382 740 H HN 0.493 nan 8.280 nan 0.000 0.523 741 G N -0.461 108.491 108.800 0.254 0.000 2.880 741 G HA2 0.041 4.001 3.960 -0.000 0.000 0.209 741 G HA3 0.041 4.001 3.960 -0.000 0.000 0.209 741 G C 0.564 175.655 174.900 0.317 0.000 1.157 741 G CA 0.227 45.411 45.100 0.140 0.000 0.779 741 G HN 0.507 nan 8.290 nan 0.000 0.539 742 I N 0.056 120.821 120.570 0.325 0.000 5.115 742 I HA -0.329 3.841 4.170 -0.000 0.000 0.126 742 I C 1.516 177.751 176.117 0.196 0.000 1.316 742 I CA 0.198 61.630 61.300 0.219 0.000 2.641 742 I CB -1.122 36.966 38.000 0.146 0.000 2.272 742 I HN 0.264 nan 8.210 nan 0.000 0.321 743 A N 1.480 124.391 122.820 0.153 0.000 2.390 743 A HA 0.292 4.611 4.320 -0.000 0.000 0.232 743 A C 1.167 178.793 177.584 0.071 0.000 1.233 743 A CA 0.523 52.617 52.037 0.096 0.000 0.907 743 A CB 0.129 19.153 19.000 0.040 0.000 0.967 743 A HN 0.648 nan 8.150 nan 0.000 0.512 744 S N -0.348 115.405 115.700 0.089 0.000 2.573 744 S HA 0.047 4.517 4.470 -0.000 0.000 0.277 744 S C 0.774 175.420 174.600 0.077 0.000 1.346 744 S CA 0.335 58.581 58.200 0.077 0.000 1.034 744 S CB 0.085 63.335 63.200 0.084 0.000 0.879 744 S HN 0.512 nan 8.310 nan 0.000 0.528 745 N N 0.880 119.614 118.700 0.057 0.000 2.061 745 N HA -0.150 4.590 4.740 -0.000 0.000 0.193 745 N C 1.627 177.193 175.510 0.093 0.000 1.030 745 N CA 1.664 54.753 53.050 0.065 0.000 0.856 745 N CB -0.264 38.244 38.487 0.035 0.000 1.023 745 N HN 0.516 nan 8.380 nan 0.000 0.424 746 M N 0.488 120.131 119.600 0.072 0.000 2.200 746 M HA 0.049 4.529 4.480 -0.000 0.000 0.265 746 M C 2.297 178.646 176.300 0.081 0.000 1.066 746 M CA 0.748 56.093 55.300 0.075 0.000 1.127 746 M CB -1.256 31.381 32.600 0.061 0.000 1.379 746 M HN 0.146 nan 8.290 nan 0.000 0.420 747 A N -0.896 121.949 122.820 0.042 0.000 1.930 747 A HA -0.209 4.111 4.320 -0.000 0.000 0.217 747 A C 2.063 179.596 177.584 -0.084 0.000 1.175 747 A CA 2.080 54.066 52.037 -0.084 0.000 0.627 747 A CB -1.082 17.827 19.000 -0.152 0.000 0.815 747 A HN 0.582 nan 8.150 nan 0.000 0.443 748 H N -0.128 118.922 119.070 -0.035 0.000 2.352 748 H HA -0.129 4.427 4.556 -0.000 0.000 0.299 748 H C 2.072 177.465 175.328 0.108 0.000 1.097 748 H CA 2.295 58.379 56.048 0.061 0.000 1.311 748 H CB -0.179 29.623 29.762 0.067 0.000 1.377 748 H HN 0.578 nan 8.280 nan 0.000 0.504 749 Q N -1.002 118.798 119.800 0.001 0.000 2.079 749 Q HA -0.179 4.161 4.340 -0.000 0.000 0.200 749 Q C 2.162 178.144 176.000 -0.031 0.000 0.974 749 Q CA 1.276 57.042 55.803 -0.062 0.000 0.840 749 Q CB -0.178 28.564 28.738 0.008 0.000 0.898 749 Q HN 0.650 nan 8.270 nan 0.000 0.430 750 H N 0.743 119.778 119.070 -0.059 0.000 2.357 750 H HA -0.056 4.500 4.556 -0.000 0.000 0.301 750 H C 2.037 177.355 175.328 -0.016 0.000 1.082 750 H CA 1.201 57.249 56.048 -0.000 0.000 1.342 750 H CB 0.013 29.820 29.762 0.076 0.000 1.389 750 H HN 0.262 nan 8.280 nan 0.000 0.511 751 I N 0.121 120.647 120.570 -0.073 0.000 2.202 751 I HA -0.327 3.843 4.170 -0.000 0.000 0.242 751 I C 1.816 177.698 176.117 -0.392 0.000 1.091 751 I CA 1.262 62.434 61.300 -0.214 0.000 1.368 751 I CB -0.269 37.419 38.000 -0.520 0.000 1.058 751 I HN 0.136 nan 8.210 nan 0.000 0.410 752 Y N 0.980 121.067 120.300 -0.356 0.000 2.242 752 Y HA -0.210 4.339 4.550 -0.000 0.000 0.291 752 Y C 2.736 178.437 175.900 -0.332 0.000 1.137 752 Y CA 1.912 59.689 58.100 -0.537 0.000 1.181 752 Y CB -0.920 37.231 38.460 -0.515 0.000 0.989 752 Y HN 0.160 nan 8.280 nan 0.000 0.527 753 T N -1.636 112.846 114.554 -0.119 0.000 2.737 753 T HA -0.238 4.112 4.350 -0.000 0.000 0.265 753 T C 1.577 176.147 174.700 -0.216 0.000 1.038 753 T CA 1.896 63.879 62.100 -0.195 0.000 1.144 753 T CB -0.477 68.280 68.868 -0.185 0.000 0.866 753 T HN 0.432 nan 8.240 nan 0.000 0.434 754 H N 0.822 119.766 119.070 -0.211 0.000 2.321 754 H HA 0.105 4.661 4.556 -0.000 0.000 0.300 754 H C 2.173 177.484 175.328 -0.028 0.000 1.087 754 H CA 1.552 57.548 56.048 -0.086 0.000 1.319 754 H CB -0.225 29.474 29.762 -0.104 0.000 1.379 754 H HN 0.244 nan 8.280 nan 0.000 0.501 755 M N -0.792 118.753 119.600 -0.092 0.000 2.229 755 M HA -0.143 4.336 4.480 -0.000 0.000 0.264 755 M C 2.357 178.760 176.300 0.171 0.000 1.063 755 M CA 1.320 56.565 55.300 -0.091 0.000 1.114 755 M CB 0.084 32.388 32.600 -0.494 0.000 1.387 755 M HN 0.212 nan 8.290 nan 0.000 0.420 756 S N -0.655 115.162 115.700 0.194 0.000 2.368 756 S HA -0.140 4.329 4.470 -0.000 0.000 0.225 756 S C 1.692 176.385 174.600 0.155 0.000 1.030 756 S CA 0.972 59.377 58.200 0.342 0.000 0.999 756 S CB -0.490 62.896 63.200 0.310 0.000 0.844 756 S HN 0.467 nan 8.310 nan 0.000 0.459 757 H N -0.113 119.011 119.070 0.090 0.000 2.357 757 H HA 0.005 4.560 4.556 -0.000 0.000 0.301 757 H C 1.941 177.266 175.328 -0.004 0.000 1.082 757 H CA 1.138 57.191 56.048 0.008 0.000 1.342 757 H CB -0.736 28.976 29.762 -0.084 0.000 1.389 757 H HN 0.444 nan 8.280 nan 0.000 0.511 758 F N 1.031 120.958 119.950 -0.038 0.000 2.102 758 F HA -0.161 4.366 4.527 -0.000 0.000 0.298 758 F C 2.504 178.261 175.800 -0.071 0.000 1.105 758 F CA 0.931 58.884 58.000 -0.078 0.000 1.239 758 F CB -0.592 38.346 39.000 -0.104 0.000 0.991 758 F HN 0.005 nan 8.300 nan 0.000 0.474 759 L N 0.386 121.636 121.223 0.047 0.000 1.989 759 L HA -0.263 4.077 4.340 -0.000 0.000 0.211 759 L C 2.559 179.233 176.870 -0.327 0.000 1.071 759 L CA 1.635 56.335 54.840 -0.233 0.000 0.749 759 L CB -0.539 41.462 42.059 -0.097 0.000 0.890 759 L HN 0.118 nan 8.230 nan 0.000 0.431 760 K N -0.607 119.748 120.400 -0.076 0.000 2.103 760 K HA -0.200 4.120 4.320 -0.000 0.000 0.207 760 K C 2.012 178.604 176.600 -0.014 0.000 1.048 760 K CA 1.040 57.339 56.287 0.019 0.000 0.930 760 K CB -0.224 32.337 32.500 0.102 0.000 0.716 760 K HN 0.412 nan 8.250 nan 0.000 0.444 761 Q N 0.578 120.327 119.800 -0.085 0.000 2.050 761 Q HA -0.157 4.183 4.340 -0.000 0.000 0.202 761 Q C 2.433 178.345 176.000 -0.148 0.000 0.980 761 Q CA 1.106 56.844 55.803 -0.107 0.000 0.840 761 Q CB -1.097 27.553 28.738 -0.147 0.000 0.898 761 Q HN 0.392 nan 8.270 nan 0.000 0.424 762 c N 0.284 118.698 118.600 -0.311 0.000 2.413 762 c HA -0.127 4.442 4.570 -0.000 0.000 0.276 762 c C 2.177 176.289 174.090 0.037 0.000 1.248 762 c CA 0.436 56.606 56.329 -0.265 0.000 1.742 762 c CB -1.092 41.119 42.510 -0.498 0.000 2.017 762 c HN 0.354 nan 8.230 nan 0.000 0.481 763 F N 1.768 121.685 119.950 -0.055 0.000 2.797 763 F HA 0.219 4.745 4.527 -0.000 0.000 0.302 763 F C 1.711 177.498 175.800 -0.021 0.000 1.130 763 F CA 0.604 58.592 58.000 -0.021 0.000 1.387 763 F CB -1.254 37.743 39.000 -0.004 0.000 1.107 763 F HN 0.265 nan 8.300 nan 0.000 0.577 764 S N 0.664 116.448 115.700 0.140 0.000 3.641 764 S HA -0.202 4.268 4.470 -0.000 0.000 0.346 764 S C 0.020 174.664 174.600 0.073 0.000 1.074 764 S CA 0.120 58.363 58.200 0.072 0.000 1.026 764 S CB -2.112 61.118 63.200 0.052 0.000 0.908 764 S HN 0.238 nan 8.310 nan 0.000 0.479 765 L N 1.931 123.213 121.223 0.098 0.000 2.309 765 L HA 0.521 4.860 4.340 -0.000 0.000 0.282 765 L C -1.101 175.811 176.870 0.070 0.000 1.036 765 L CA -2.127 52.766 54.840 0.087 0.000 0.806 765 L CB 0.692 42.826 42.059 0.126 0.000 1.220 765 L HN 0.047 nan 8.230 nan 0.000 0.429 766 P HA 0.000 nan 4.420 nan 0.000 0.216 766 P CA 0.000 63.133 63.100 0.055 0.000 0.800 766 P CB 0.000 31.725 31.700 0.041 0.000 0.726